#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4x s TRP 5 N 0.00 2.85 0.00 1.57 1.48 -1.26 -4.87 118.94 118.71 3f4x s TRP 5 Ca 0.00 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.60 3f4x s TRP 5 Cb 0.00 -3.27 0.00 0.00 -1.16 0.00 0.00 33.47 29.04 3f4x s TRP 5 CO 0.00 -1.34 0.00 0.41 -4.06 0.00 0.00 176.95 171.96 3f4x n GLY 6 N 0.23 3.90 0.00 3.67 0.00 -0.31 -5.03 105.19 107.65 3f4x n GLY 6 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3f4x n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f4x n TYR 7 N 0.00 0.00 -1.32 1.61 4.02 -1.26 -3.96 117.16 116.25 3f4x n TYR 7 Ca 0.00 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.90 57.58 3f4x n TYR 7 Cb 0.00 -0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.51 3f4x n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3f4x s GLY 8 N -0.04 1.60 0.40 2.72 0.00 -1.26 -4.61 107.32 106.13 3f4x s GLY 8 Ca 0.00 -0.76 0.16 0.00 0.00 0.00 0.00 44.72 44.12 3f4x s GLY 8 CO 0.00 -0.02 1.83 1.70 0.00 0.00 0.00 173.10 176.61 3f4x h LYS 9 N -2.05 0.46 0.00 2.90 3.11 -1.98 -0.12 116.57 118.89 3f4x h LYS 9 Ca -0.48 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 3f4x h LYS 9 Cb 1.30 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 3f4x h LYS 9 CO 0.47 0.30 -0.92 0.72 -2.81 0.00 0.00 179.45 177.20 3f4x n HIS 10 N -4.56 0.00 -0.97 1.91 8.25 -1.26 -4.44 115.22 114.14 3f4x n HIS 10 Ca 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 3f4x n HIS 10 Cb 0.70 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.79 3f4x n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f4x n ASN 11 N -1.48 0.63 -2.74 0.41 6.94 -1.16 -4.96 115.26 112.90 3f4x n ASN 11 Ca 0.03 -1.57 -0.11 0.00 -0.02 0.00 0.00 54.58 52.91 3f4x n ASN 11 Cb 0.30 -0.07 0.07 0.00 -2.36 0.00 0.00 39.78 37.72 3f4x n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f4x n GLY 12 N -0.23 -1.10 0.33 4.83 0.00 -0.07 -1.16 105.19 107.80 3f4x n GLY 12 Ca 0.01 -1.71 0.26 0.00 0.00 0.00 0.00 46.02 44.58 3f4x n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f4x h PRO 13 N 0.00 0.12 -0.80 1.61 0.11 -1.84 0.35 132.00 131.55 3f4x h PRO 13 Ca -0.16 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.74 3f4x h PRO 13 Cb 0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.41 3f4x h PRO 13 CO 0.12 0.08 0.26 -0.85 -0.21 0.00 0.00 178.00 177.40 3f4x n GLU 14 N -5.21 3.40 -0.03 1.05 0.00 -1.26 -3.13 120.64 115.45 3f4x n GLU 14 Ca 0.33 -2.73 0.03 0.00 0.00 0.00 0.00 57.16 54.79 3f4x n GLU 14 Cb 1.08 -2.12 -0.15 0.00 0.00 0.00 0.00 31.44 30.25 3f4x n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3f4x n HIS 15 N -0.13 0.14 -0.09 -1.84 8.25 0.10 -4.71 115.22 116.95 3f4x n HIS 15 Ca 0.37 0.05 0.12 0.00 -0.26 0.00 0.00 57.72 58.00 3f4x n HIS 15 Cb 1.29 -0.75 0.49 0.00 1.12 0.00 0.00 29.99 32.15 3f4x n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3f4x h TRP 16 N 0.00 0.46 -0.20 4.41 6.55 -1.48 -2.65 115.95 123.03 3f4x h TRP 16 Ca -0.20 0.01 0.06 0.00 0.95 0.00 0.00 58.89 59.71 3f4x h TRP 16 Cb 1.48 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 29.63 3f4x h TRP 16 CO 0.00 0.22 0.21 1.12 -1.05 0.00 0.00 178.44 178.93 3f4x h HIS 17 N 0.43 0.00 -0.17 0.49 2.07 -1.80 -0.60 115.15 115.57 3f4x h HIS 17 Ca 0.28 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.77 3f4x h HIS 17 Cb 0.53 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 3f4x h HIS 17 CO -0.00 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 175.71 3f4x h LYS 18 N 0.00 0.31 0.00 5.12 1.57 -1.84 -1.97 116.57 119.77 3f4x h LYS 18 Ca 0.09 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3f4x h LYS 18 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3f4x h LYS 18 CO -0.00 0.56 -0.80 -0.44 -0.57 0.00 0.00 179.45 178.19 3f4x h ASP 19 N 0.04 0.00 -2.66 0.86 3.32 -1.70 -3.41 116.42 112.87 3f4x h ASP 19 Ca 0.05 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.49 3f4x h ASP 19 Cb 0.43 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.58 3f4x h ASP 19 CO 0.01 0.48 -0.79 0.49 -1.72 0.00 0.00 179.24 177.71 3f4x n PHE 20 N -3.08 1.07 -0.18 4.55 3.72 -0.26 -4.99 117.46 118.28 3f4x n PHE 20 Ca -0.02 -3.78 0.28 0.00 -0.05 0.00 0.00 57.45 53.88 3f4x n PHE 20 Cb 0.75 -0.17 0.71 0.00 -0.94 0.00 0.00 39.48 39.83 3f4x n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f4x h PRO 21 N 5.42 0.03 0.00 -1.08 0.13 -1.60 -0.06 132.00 134.83 3f4x h PRO 21 Ca 0.21 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3f4x h PRO 21 Cb 0.83 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3f4x h PRO 21 CO 0.54 0.02 0.02 1.51 -0.23 0.00 0.00 178.00 179.86 3f4x n ILE 22 N -4.29 1.62 0.20 -3.56 0.13 -1.26 -2.35 119.36 109.85 3f4x n ILE 22 Ca 0.19 0.58 0.18 0.00 -1.10 0.00 0.00 62.75 62.60 3f4x n ILE 22 Cb 0.94 -1.58 0.83 0.00 -0.84 0.00 0.00 39.64 38.99 3f4x n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3f4x h ALA 23 N 1.94 1.78 -0.43 1.51 0.00 -1.31 0.15 119.26 122.90 3f4x h ALA 23 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3f4x h ALA 23 Cb 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 3f4x h ALA 23 CO 0.00 -0.35 0.04 1.63 0.00 0.00 0.00 179.25 180.57 3f4x n LYS 24 N -3.66 2.16 -0.57 0.00 5.02 -0.99 -4.95 118.16 115.16 3f4x n LYS 24 Ca 0.02 -3.10 -0.10 0.00 -2.02 0.00 0.00 58.31 53.12 3f4x n LYS 24 Cb 0.37 -1.88 0.07 0.00 -0.02 0.00 0.00 35.03 33.57 3f4x n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f4x n GLY 25 N -0.98 -1.45 0.04 0.72 0.00 0.52 -5.00 105.19 99.04 3f4x n GLY 25 Ca 0.35 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.84 3f4x n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f4x n GLU 26 N -2.01 0.17 -2.92 1.61 -0.58 -1.26 -4.27 120.64 111.38 3f4x n GLU 26 Ca 0.05 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 3f4x n GLU 26 Cb 0.19 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3f4x n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3f4x n ARG 27 N -1.87 1.06 -3.01 3.49 1.85 -1.26 -4.83 116.66 112.09 3f4x n ARG 27 Ca 0.04 -3.31 -0.31 0.00 -1.00 0.00 0.00 57.85 53.27 3f4x n ARG 27 Cb 0.40 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 3f4x n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3f4x s GLN 28 N -2.77 3.90 0.14 2.89 -1.52 -1.26 -2.61 119.66 118.43 3f4x s GLN 28 Ca 0.33 0.57 0.07 0.00 -1.95 0.00 0.00 55.36 54.39 3f4x s GLN 28 Cb 0.41 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 3f4x s GLN 28 CO -0.02 0.07 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.80 3f4x s SER 29 N -2.68 2.40 0.99 5.90 0.01 -1.26 -4.66 113.70 114.40 3f4x s SER 29 Ca 0.53 -0.83 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 3f4x s SER 29 Cb -0.10 -0.12 0.21 0.00 0.21 0.00 0.00 66.02 66.22 3f4x s SER 29 CO 0.24 -0.07 1.29 -2.16 0.41 0.00 0.00 173.24 172.95 3f4x s PRO 30 N -2.70 0.41 0.17 12.44 0.04 -1.26 -4.53 135.00 139.57 3f4x s PRO 30 Ca 0.12 -0.35 0.02 0.00 0.04 0.00 0.00 61.00 60.83 3f4x s PRO 30 Cb -0.06 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3f4x s PRO 30 CO 0.05 -2.58 -0.00 0.14 0.04 0.00 0.00 177.00 174.65 3f4x s VAL 31 N -3.76 0.68 0.15 -0.36 -7.23 -1.26 -0.42 120.40 108.20 3f4x s VAL 31 Ca 0.73 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 3f4x s VAL 31 Cb -0.05 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 3f4x s VAL 31 CO 0.53 -0.49 0.97 -0.62 -0.31 0.00 0.00 175.10 175.18 3f4x s ASP 32 N -3.17 7.52 -0.49 4.85 3.68 -1.26 -3.10 116.67 124.70 3f4x s ASP 32 Ca 0.24 1.86 -0.17 0.00 2.13 0.00 0.00 52.55 56.61 3f4x s ASP 32 Cb 0.06 -2.60 0.07 0.00 -1.45 0.00 0.00 42.92 39.00 3f4x s ASP 32 CO 0.04 -0.01 0.48 -0.63 0.13 0.00 0.00 175.17 175.17 3f4x s ILE 33 N -0.35 5.10 -0.57 4.11 1.01 0.59 -4.94 121.20 126.15 3f4x s ILE 33 Ca 0.45 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 3f4x s ILE 33 Cb -0.25 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.08 3f4x s ILE 33 CO 0.31 -0.66 0.93 -0.62 0.00 0.00 0.00 174.94 174.89 3f4x s ASP 34 N 2.63 6.29 0.52 3.58 2.15 -1.26 -1.36 116.67 129.22 3f4x s ASP 34 Ca 0.08 -0.54 0.18 0.00 0.43 0.00 0.00 52.55 52.70 3f4x s ASP 34 Cb -0.22 -2.42 1.32 0.00 -0.30 0.00 0.00 42.92 41.29 3f4x s ASP 34 CO 0.09 -1.26 2.14 0.71 -0.17 0.00 0.00 175.17 176.68 3f4x h THR 35 N 6.00 0.94 0.00 1.71 1.35 -1.95 -0.20 112.91 120.76 3f4x h THR 35 Ca -0.27 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3f4x h THR 35 Cb 1.07 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3f4x h THR 35 CO 1.10 0.02 -0.21 1.41 -0.25 0.00 0.00 175.52 177.60 3f4x n HIS 36 N -4.40 0.71 -0.05 4.73 8.25 -1.26 -3.65 115.22 119.56 3f4x n HIS 36 Ca -0.03 0.21 -0.04 0.00 -0.26 0.00 0.00 57.72 57.59 3f4x n HIS 36 Cb 0.11 -0.80 -0.14 0.00 1.12 0.00 0.00 29.99 30.28 3f4x n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3f4x n THR 37 N -2.13 1.15 -1.99 1.59 -1.04 -0.18 -4.94 114.28 106.74 3f4x n THR 37 Ca 0.05 -0.76 -0.41 0.00 -2.04 0.00 0.00 64.05 60.89 3f4x n THR 37 Cb 0.42 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.40 3f4x n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f4x s ALA 38 N -2.76 3.63 -0.14 2.41 0.00 -0.66 -4.90 121.76 119.34 3f4x s ALA 38 Ca -0.08 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 3f4x s ALA 38 Cb 0.08 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3f4x s ALA 38 CO 0.84 -0.77 -0.04 0.21 0.00 0.00 0.00 175.76 176.00 3f4x s LYS 39 N -0.54 3.49 0.25 0.00 2.20 -0.99 -4.80 119.74 119.34 3f4x s LYS 39 Ca 0.59 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.38 3f4x s LYS 39 Cb -0.43 -2.86 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 3f4x s LYS 39 CO 0.45 0.35 1.53 0.98 -0.36 0.00 0.00 175.35 178.30 3f4x n TYR 40 N 3.21 2.48 -3.98 4.03 4.19 -1.26 -0.47 117.16 125.36 3f4x n TYR 40 Ca -0.18 0.31 -0.33 0.00 3.31 0.00 0.00 57.90 61.01 3f4x n TYR 40 Cb 0.53 -2.54 -0.14 0.00 0.49 0.00 0.00 39.34 37.67 3f4x n TYR 40 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3f4x s ASP 41 N 0.53 4.71 0.47 2.98 3.68 -0.34 -4.82 116.67 123.88 3f4x s ASP 41 Ca 0.69 -1.45 0.22 0.00 2.13 0.00 0.00 52.55 54.14 3f4x s ASP 41 Cb -0.58 -1.64 1.19 0.00 -1.45 0.00 0.00 42.92 40.44 3f4x s ASP 41 CO 0.46 -0.26 1.99 -0.65 0.13 0.00 0.00 175.17 176.84 3f4x h PRO 42 N 7.87 0.00 0.00 4.34 0.11 -1.94 -3.08 132.00 139.30 3f4x h PRO 42 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3f4x h PRO 42 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3f4x h PRO 42 CO 0.51 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 3f4x n SER 43 N -3.80 0.00 -4.69 -2.05 3.41 -1.26 -4.78 113.62 100.45 3f4x n SER 43 Ca -0.02 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 3f4x n SER 43 Cb 0.29 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3f4x n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f4x s LEU 44 N -2.76 4.30 0.72 1.04 1.02 -1.17 -5.02 118.68 116.82 3f4x s LEU 44 Ca 0.18 1.96 -0.11 0.00 0.02 0.00 0.00 54.13 56.18 3f4x s LEU 44 Cb 0.16 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.83 3f4x s LEU 44 CO 0.39 -0.64 1.08 -0.54 0.02 0.00 0.00 176.35 176.66 3f4x s LYS 45 N 2.22 2.71 0.52 1.70 1.02 -1.16 -4.92 119.74 121.83 3f4x s LYS 45 Ca 0.60 0.64 -0.23 0.00 0.02 0.00 0.00 55.97 57.00 3f4x s LYS 45 Cb -0.28 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 3f4x s LYS 45 CO 0.24 -1.18 1.35 -2.30 -0.92 0.00 0.00 175.35 172.55 3f4x n PRO 46 N -3.14 1.79 -2.81 -1.68 -0.02 -1.26 -1.96 135.00 125.91 3f4x n PRO 46 Ca 0.07 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3f4x n PRO 46 Cb 0.56 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3f4x n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3f4x s LEU 47 N -3.14 4.50 -0.28 2.45 0.20 -1.26 -1.26 118.68 119.89 3f4x s LEU 47 Ca 0.69 1.71 0.03 0.00 0.69 0.00 0.00 54.13 57.24 3f4x s LEU 47 Cb -0.43 -3.48 0.08 0.00 -0.43 0.00 0.00 46.19 41.93 3f4x s LEU 47 CO 0.51 -0.01 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.97 3f4x s SER 48 N -0.17 4.43 -0.40 3.68 0.15 0.25 -4.88 113.70 116.76 3f4x s SER 48 Ca 0.44 -1.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.36 3f4x s SER 48 Cb -0.23 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.66 3f4x s SER 48 CO 0.28 -0.27 0.25 -0.69 1.20 0.00 0.00 173.24 174.00 3f4x s VAL 49 N 1.11 4.44 -0.60 4.45 1.01 -1.26 -1.39 120.40 128.16 3f4x s VAL 49 Ca -0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 3f4x s VAL 49 Cb -0.19 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.73 3f4x s VAL 49 CO -0.07 -0.39 0.40 -0.44 0.00 0.00 0.00 175.10 174.59 3f4x s SER 50 N 1.91 5.01 -0.10 3.32 0.01 -0.24 -4.91 113.70 118.70 3f4x s SER 50 Ca 0.02 -2.91 0.14 0.00 1.31 0.00 0.00 55.95 54.52 3f4x s SER 50 Cb -0.21 -1.80 0.43 0.00 0.21 0.00 0.00 66.02 64.65 3f4x s SER 50 CO 0.04 -0.33 1.35 -1.22 0.41 0.00 0.00 173.24 173.49 3f4x n TYR 51 N 3.37 0.74 -0.09 2.43 0.53 -1.26 -1.52 117.16 121.36 3f4x n TYR 51 Ca 0.07 -0.71 0.01 0.00 -1.02 0.00 0.00 57.90 56.26 3f4x n TYR 51 Cb 0.36 -0.19 0.30 0.00 -1.03 0.00 0.00 39.34 38.79 3f4x n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3f4x h ASP 52 N 1.92 0.65 -0.68 7.72 2.03 -1.91 -2.82 116.42 123.34 3f4x h ASP 52 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 3f4x h ASP 52 Cb 1.13 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 3f4x h ASP 52 CO 0.13 0.55 0.00 1.67 -1.03 0.00 0.00 179.24 180.55 3f4x n GLN 53 N -4.38 3.06 -1.65 4.15 -0.06 -1.18 -5.00 117.38 112.31 3f4x n GLN 53 Ca 0.04 -2.64 -0.47 0.00 -2.00 0.00 0.00 57.00 51.93 3f4x n GLN 53 Cb 0.12 -1.69 -0.04 0.00 -4.06 0.00 0.00 30.24 24.57 3f4x n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3f4x n ALA 54 N 1.38 0.82 -3.92 1.69 0.00 -1.06 -4.65 120.51 114.77 3f4x n ALA 54 Ca 0.24 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.83 3f4x n ALA 54 Cb 0.71 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 3f4x n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3f4x s THR 55 N 0.60 2.74 0.55 0.00 2.01 -1.26 -4.89 115.64 115.40 3f4x s THR 55 Ca 0.77 -3.29 -0.17 0.00 0.31 0.00 0.00 61.69 59.31 3f4x s THR 55 Cb -0.73 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 3f4x s THR 55 CO 0.42 -0.81 1.05 -0.94 -0.69 0.00 0.00 174.62 173.65 3f4x s SER 56 N -0.18 5.99 0.00 3.53 1.04 -1.26 0.02 113.70 122.84 3f4x s SER 56 Ca 0.17 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3f4x s SER 56 Cb -0.25 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.33 3f4x s SER 56 CO -0.00 -1.02 0.00 0.18 0.98 0.00 0.00 173.24 173.37 3f4x n LEU 57 N -1.65 0.28 -3.56 2.42 4.77 -0.12 -3.90 117.00 115.23 3f4x n LEU 57 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 3f4x n LEU 57 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3f4x n LEU 57 CO 0.45 -0.09 0.35 0.00 -1.33 0.00 0.00 177.39 176.77 3f4x s ARG 58 N -1.96 1.33 -0.07 3.23 1.04 -1.23 -1.69 118.95 119.60 3f4x s ARG 58 Ca 0.00 -0.63 0.03 0.00 -1.04 0.00 0.00 55.73 54.09 3f4x s ARG 58 Cb 0.00 0.56 -0.02 0.00 -2.04 0.00 0.00 34.95 33.45 3f4x s ARG 58 CO 0.00 -0.58 -0.16 -1.50 -0.04 0.00 0.00 175.30 173.02 3f4x s ILE 59 N -3.80 2.83 -0.04 4.99 2.07 -0.19 -0.97 121.20 126.10 3f4x s ILE 59 Ca 0.04 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 3f4x s ILE 59 Cb -0.01 -2.11 0.02 0.00 0.13 0.00 0.00 42.46 40.49 3f4x s ILE 59 CO -0.09 0.57 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.25 3f4x s LEU 60 N -0.38 1.34 -0.42 8.50 2.96 -0.15 -0.83 118.68 129.71 3f4x s LEU 60 Ca 0.04 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 3f4x s LEU 60 Cb -0.12 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 46.14 3f4x s LEU 60 CO 0.02 -0.05 0.83 0.21 -1.32 0.00 0.00 176.35 176.04 3f4x s ASN 61 N 0.90 6.50 -0.11 3.68 3.84 -0.17 -0.31 114.94 129.27 3f4x s ASN 61 Ca -0.11 0.16 0.17 0.00 0.21 0.00 0.00 52.86 53.29 3f4x s ASN 61 Cb -0.14 -2.41 0.66 0.00 -0.55 0.00 0.00 41.25 38.81 3f4x s ASN 61 CO 0.00 -0.88 1.57 -0.46 -2.79 0.00 0.00 177.10 174.54 3f4x n ASN 62 N 6.74 4.51 0.00 -4.21 0.23 -0.81 0.08 115.26 121.79 3f4x n ASN 62 Ca 0.04 -2.47 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3f4x n ASN 62 Cb 0.48 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3f4x n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f4x n GLY 63 N 0.88 1.40 0.40 4.83 0.00 -1.26 -4.74 105.19 106.71 3f4x n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3f4x n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f4x n HIS 64 N -2.00 0.00 -2.96 1.61 8.25 -1.26 -4.75 115.22 114.11 3f4x n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f4x n HIS 64 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3f4x n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f4x n ALA 65 N -2.47 0.00 -2.62 -1.41 0.00 -1.26 -4.89 120.51 107.86 3f4x n ALA 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3f4x n ALA 65 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 3f4x n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3f4x s PHE 66 N -4.52 2.49 -0.18 0.00 -0.12 -1.26 -1.93 117.98 112.47 3f4x s PHE 66 Ca 0.00 -0.55 -0.06 0.00 -0.05 0.00 0.00 56.93 56.27 3f4x s PHE 66 Cb 0.00 -1.60 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 3f4x s PHE 66 CO 0.00 -0.10 0.03 -0.80 -0.05 0.00 0.00 175.22 174.30 3f4x s ASN 67 N -0.33 5.29 -0.37 1.98 0.02 0.58 -4.30 114.94 117.80 3f4x s ASN 67 Ca 0.02 -0.02 -0.18 0.00 -1.02 0.00 0.00 52.86 51.66 3f4x s ASN 67 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 41.25 39.25 3f4x s ASN 67 CO 0.02 0.16 0.48 -0.69 0.02 0.00 0.00 177.10 177.09 3f4x s VAL 68 N 0.46 5.04 0.14 1.60 1.01 0.02 -0.97 120.40 127.69 3f4x s VAL 68 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3f4x s VAL 68 Cb -0.13 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3f4x s VAL 68 CO 0.01 -0.28 0.38 -1.61 0.00 0.00 0.00 175.10 173.60 3f4x s GLU 69 N 2.31 3.63 0.14 2.72 2.02 -0.14 -1.11 118.70 128.26 3f4x s GLU 69 Ca 0.16 -0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.17 3f4x s GLU 69 Cb -0.16 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 3f4x s GLU 69 CO 0.14 0.47 -0.18 -0.06 0.02 0.00 0.00 175.26 175.65 3f4x s PHE 70 N -1.65 1.71 -0.31 1.61 0.40 0.13 -0.95 117.98 118.92 3f4x s PHE 70 Ca 0.41 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 3f4x s PHE 70 Cb -0.12 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.54 3f4x s PHE 70 CO 0.24 0.25 1.15 0.34 0.70 0.00 0.00 175.22 177.90 3f4x s ASP 71 N -2.39 6.85 -0.18 1.36 -1.08 0.10 -4.84 116.67 116.50 3f4x s ASP 71 Ca 0.11 1.12 0.16 0.00 -0.52 0.00 0.00 52.55 53.43 3f4x s ASP 71 Cb -0.07 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 39.27 3f4x s ASP 71 CO 0.05 -0.94 1.30 -0.90 0.52 0.00 0.00 175.17 175.20 3f4x n ASP 72 N 7.09 2.94 -0.13 -0.34 3.85 -1.26 -4.65 116.55 124.05 3f4x n ASP 72 Ca 0.13 -3.21 0.08 0.00 -0.71 0.00 0.00 54.79 51.09 3f4x n ASP 72 Cb 0.47 -0.51 0.45 0.00 -1.35 0.00 0.00 41.12 40.18 3f4x n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3f4x n SER 73 N -1.01 0.38 -3.58 -1.12 3.41 -1.26 -4.80 113.62 105.65 3f4x n SER 73 Ca 0.20 -1.55 -0.13 0.00 -0.26 0.00 0.00 58.87 57.13 3f4x n SER 73 Cb 0.79 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 3f4x n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3f4x s GLN 74 N -1.95 1.05 -0.70 4.33 -0.21 -1.26 -5.10 119.66 115.82 3f4x s GLN 74 Ca 0.26 -0.33 -0.26 0.00 0.02 0.00 0.00 55.36 55.05 3f4x s GLN 74 Cb 0.12 0.48 -0.02 0.00 1.00 0.00 0.00 33.01 34.59 3f4x s GLN 74 CO 0.20 -0.39 1.80 -0.51 -2.12 0.00 0.00 175.29 174.27 3f4x s ASP 75 N -2.15 5.39 0.00 5.90 1.01 -1.26 -4.65 116.67 120.91 3f4x s ASP 75 Ca -0.04 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.21 3f4x s ASP 75 Cb -0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3f4x s ASP 75 CO -0.04 -2.36 0.00 0.29 0.21 0.00 0.00 175.17 173.27 3f4x n LYS 76 N 9.14 0.59 -3.72 8.23 5.02 -1.26 -4.98 118.16 131.18 3f4x n LYS 76 Ca 0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 3f4x n LYS 76 Cb 0.51 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.52 3f4x n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f4x s ALA 77 N -1.68 1.28 0.03 7.82 0.00 -1.26 -3.10 121.76 124.84 3f4x s ALA 77 Ca 0.00 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3f4x s ALA 77 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3f4x s ALA 77 CO 0.00 -1.49 -0.17 0.14 0.00 0.00 0.00 175.76 174.24 3f4x s VAL 78 N 1.74 1.35 -0.12 0.00 -7.23 -0.58 -0.40 120.40 115.16 3f4x s VAL 78 Ca 0.06 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 3f4x s VAL 78 Cb -0.17 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 3f4x s VAL 78 CO -0.20 0.14 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.46 3f4x s LEU 79 N -1.03 3.25 0.29 1.32 0.20 0.37 -1.07 118.68 121.99 3f4x s LEU 79 Ca 0.05 -0.08 -0.11 0.00 0.69 0.00 0.00 54.13 54.68 3f4x s LEU 79 Cb -0.08 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 3f4x s LEU 79 CO 0.01 0.25 0.52 -1.59 -0.29 0.00 0.00 176.35 175.25 3f4x s LYS 80 N -0.11 1.73 1.94 1.98 -2.85 -0.49 -1.72 119.74 120.24 3f4x s LYS 80 Ca 0.02 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 3f4x s LYS 80 Cb -0.13 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 3f4x s LYS 80 CO 0.03 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.15 3f4x n GLY 81 N -0.45 -1.23 7.00 0.59 0.00 -1.26 -0.58 105.19 109.27 3f4x n GLY 81 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3f4x n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4x n GLY 82 N 0.00 3.59 0.20 -0.02 0.00 -0.39 -1.29 105.19 107.29 3f4x n GLY 82 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.07 3f4x n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3f4x n PRO 83 N 14.00 1.28 -3.35 1.61 -0.04 -1.26 -2.98 135.00 144.26 3f4x n PRO 83 Ca 0.00 -0.41 -0.36 0.00 -0.04 0.00 0.00 63.50 62.69 3f4x n PRO 83 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 3f4x n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f4x s LEU 84 N -1.96 4.41 -0.18 1.53 1.43 -0.41 -5.08 118.68 118.42 3f4x s LEU 84 Ca 0.43 1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 54.60 3f4x s LEU 84 Cb 0.21 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3f4x s LEU 84 CO 0.34 0.17 -0.03 -1.81 0.23 0.00 0.00 176.35 175.26 3f4x s ASP 85 N -1.49 4.71 0.00 2.29 1.11 -1.26 -4.05 116.67 117.98 3f4x s ASP 85 Ca 0.34 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.88 3f4x s ASP 85 Cb -0.16 -1.78 0.00 0.00 1.07 0.00 0.00 42.92 42.04 3f4x s ASP 85 CO 0.19 0.11 0.00 0.61 1.18 0.00 0.00 175.17 177.26 3f4x n GLY 86 N 3.90 -0.76 3.12 0.21 0.00 -1.26 -4.94 105.19 105.46 3f4x n GLY 86 Ca -0.17 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 3f4x n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f4x s THR 87 N 0.00 1.48 -0.12 2.61 2.01 -1.26 -4.50 115.64 115.87 3f4x s THR 87 Ca 0.00 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3f4x s THR 87 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3f4x s THR 87 CO 0.00 0.43 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.83 3f4x s TYR 88 N 0.28 2.53 -0.15 4.92 2.02 -0.70 -0.94 117.35 125.32 3f4x s TYR 88 Ca -0.10 -1.18 -0.12 0.00 -0.37 0.00 0.00 57.07 55.29 3f4x s TYR 88 Cb -0.14 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 3f4x s TYR 88 CO 0.04 -0.53 0.25 1.03 -1.57 0.00 0.00 175.55 174.78 3f4x s ARG 89 N 0.67 4.11 0.09 -0.62 0.52 0.76 -0.48 118.95 124.00 3f4x s ARG 89 Ca -0.11 0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.82 3f4x s ARG 89 Cb -0.16 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 3f4x s ARG 89 CO 0.02 0.36 1.71 -1.17 0.02 0.00 0.00 175.30 176.24 3f4x s LEU 90 N 0.12 4.38 -0.14 2.53 2.96 0.46 -0.56 118.68 128.43 3f4x s LEU 90 Ca 0.15 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 3f4x s LEU 90 Cb -0.13 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3f4x s LEU 90 CO 0.04 -0.93 -0.13 0.00 -1.32 0.00 0.00 176.35 174.01 3f4x n ILE 91 N 4.70 0.80 -3.50 6.68 3.06 0.01 -4.60 119.36 126.50 3f4x n ILE 91 Ca 0.16 -0.29 -0.11 0.00 -2.50 0.00 0.00 62.75 60.01 3f4x n ILE 91 Cb 0.40 -1.08 -0.02 0.00 0.54 0.00 0.00 39.64 39.48 3f4x n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3f4x s GLN 92 N -2.28 1.36 0.15 9.51 1.03 -1.21 -0.70 119.66 127.52 3f4x s GLN 92 Ca -0.19 -0.57 0.05 0.00 0.04 0.00 0.00 55.36 54.70 3f4x s GLN 92 Cb 0.05 0.59 -0.04 0.00 0.03 0.00 0.00 33.01 33.64 3f4x s GLN 92 CO 0.31 -0.60 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.75 3f4x s PHE 93 N -3.78 1.38 0.34 9.60 -0.12 -0.27 -0.70 117.98 124.42 3f4x s PHE 93 Ca 0.03 -0.66 -0.17 0.00 -0.05 0.00 0.00 56.93 56.08 3f4x s PHE 93 Cb -0.02 -0.69 0.04 0.00 -0.63 0.00 0.00 43.02 41.72 3f4x s PHE 93 CO -0.10 0.15 0.74 -3.38 -0.05 0.00 0.00 175.22 172.59 3f4x s HIS 94 N -2.87 0.03 0.21 3.49 -3.43 -0.82 -0.80 115.29 111.10 3f4x s HIS 94 Ca 0.15 -0.59 0.06 0.00 -0.80 0.00 0.00 55.06 53.88 3f4x s HIS 94 Cb -0.01 0.74 -0.05 0.00 -1.43 0.00 0.00 32.58 31.83 3f4x s HIS 94 CO 0.02 -1.40 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.21 3f4x s PHE 95 N -3.06 1.64 -0.05 0.38 0.40 -1.26 -0.66 117.98 115.38 3f4x s PHE 95 Ca 0.14 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 3f4x s PHE 95 Cb -0.05 -0.85 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 3f4x s PHE 95 CO 0.10 0.22 -0.18 -1.01 0.70 0.00 0.00 175.22 175.05 3f4x s HIS 96 N -3.13 1.77 0.19 0.36 3.76 0.43 -4.77 115.29 113.90 3f4x s HIS 96 Ca 0.24 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 3f4x s HIS 96 Cb 0.02 -1.19 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 3f4x s HIS 96 CO 0.07 -0.17 0.25 1.67 -0.85 0.00 0.00 174.74 175.71 3f4x s TRP 97 N 0.03 0.71 0.54 1.40 -2.14 -1.23 -0.67 118.94 117.59 3f4x s TRP 97 Ca -0.04 -1.03 0.06 0.00 2.66 0.00 0.00 56.10 57.75 3f4x s TRP 97 Cb -0.12 -0.22 0.06 0.00 -3.10 0.00 0.00 33.47 30.09 3f4x s TRP 97 CO 0.02 -0.74 0.46 0.41 -2.66 0.00 0.00 176.95 174.44 3f4x n GLY 98 N -0.26 2.62 0.06 3.67 0.00 -1.19 -0.52 105.19 109.57 3f4x n GLY 98 Ca -0.02 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.83 3f4x n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f4x n SER 99 N -1.92 0.66 -4.03 1.61 3.41 -1.26 -4.26 113.62 107.83 3f4x n SER 99 Ca 0.01 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 3f4x n SER 99 Cb 0.60 0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 3f4x n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f4x s LEU 100 N -4.06 2.33 0.52 1.04 2.01 -1.26 -5.05 118.68 114.20 3f4x s LEU 100 Ca 0.07 -0.68 0.23 0.00 0.01 0.00 0.00 54.13 53.75 3f4x s LEU 100 Cb 0.14 0.11 1.40 0.00 0.01 0.00 0.00 46.19 47.86 3f4x s LEU 100 CO 0.72 -0.40 2.11 0.44 1.01 0.00 0.00 176.35 180.23 3f4x h ASP 101 N 4.09 0.00 0.00 2.29 3.45 -1.92 -2.84 116.42 121.49 3f4x h ASP 101 Ca -0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 3f4x h ASP 101 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3f4x h ASP 101 CO 0.50 0.09 0.00 0.61 -1.57 0.00 0.00 179.24 178.87 3f4x n GLY 102 N -1.09 -0.79 3.45 2.75 0.00 -1.26 -3.54 105.19 104.71 3f4x n GLY 102 Ca -0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3f4x n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3f4x s GLN 103 N -2.00 1.28 0.00 1.61 -2.07 -1.07 -4.71 119.66 112.70 3f4x s GLN 103 Ca 0.17 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 3f4x s GLN 103 Cb 0.08 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 3f4x s GLN 103 CO 0.13 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 3f4x n GLY 104 N -0.33 2.46 3.80 2.60 0.00 -1.01 -3.35 105.19 109.37 3f4x n GLY 104 Ca -0.13 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3f4x n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4x s SER 105 N 0.00 5.47 -0.15 1.61 1.04 -0.53 -3.47 113.70 117.68 3f4x s SER 105 Ca 0.00 1.79 -0.11 0.00 0.48 0.00 0.00 55.95 58.11 3f4x s SER 105 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 3f4x s SER 105 CO 0.00 -1.38 -0.15 -0.62 0.98 0.00 0.00 173.24 172.07 3f4x n GLU 106 N -2.51 0.47 -1.85 4.02 1.02 -1.26 -4.84 120.64 115.68 3f4x n GLU 106 Ca 0.09 0.52 -0.34 0.00 -0.02 0.00 0.00 57.16 57.40 3f4x n GLU 106 Cb 0.53 -1.69 0.04 0.00 -0.02 0.00 0.00 31.44 30.31 3f4x n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3f4x s HIS 107 N -2.28 2.47 0.14 -0.32 3.76 -1.26 -4.12 115.29 113.68 3f4x s HIS 107 Ca -0.17 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.34 3f4x s HIS 107 Cb 0.03 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 3f4x s HIS 107 CO 0.26 -1.96 -0.11 0.95 -0.85 0.00 0.00 174.74 173.03 3f4x s THR 108 N -1.99 1.22 -0.20 1.30 -4.23 -1.18 -4.71 115.64 105.84 3f4x s THR 108 Ca 0.72 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3f4x s THR 108 Cb -0.25 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3f4x s THR 108 CO 0.37 -0.64 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.02 3f4x s VAL 109 N -2.91 1.68 -1.54 2.29 1.01 -0.77 -0.30 120.40 119.86 3f4x s VAL 109 Ca 0.14 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3f4x s VAL 109 Cb -0.00 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.68 3f4x s VAL 109 CO 0.02 0.15 0.55 0.47 0.00 0.00 0.00 175.10 176.29 3f4x n ASP 110 N 4.66 -1.56 0.00 3.32 10.43 -0.47 -0.51 116.55 132.43 3f4x n ASP 110 Ca -0.15 -1.02 0.00 0.00 2.57 0.00 0.00 54.79 56.19 3f4x n ASP 110 Cb 0.46 -2.84 0.00 0.00 1.84 0.00 0.00 41.12 40.58 3f4x n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3f4x n LYS 111 N -4.42 -0.22 -2.48 -1.24 4.76 -1.26 -4.99 118.16 108.30 3f4x n LYS 111 Ca -0.15 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 3f4x n LYS 111 Cb 0.60 -3.70 -0.03 0.00 -1.84 0.00 0.00 35.03 30.06 3f4x n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3f4x s LYS 112 N -0.66 4.37 -0.15 1.97 2.20 0.33 -5.02 119.74 122.78 3f4x s LYS 112 Ca 0.00 1.65 -0.13 0.00 -0.36 0.00 0.00 55.97 57.13 3f4x s LYS 112 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 3f4x s LYS 112 CO 0.00 -0.42 0.27 0.15 -0.36 0.00 0.00 175.35 174.99 3f4x s LYS 113 N 2.12 4.15 0.55 4.03 1.02 -1.26 -1.84 119.74 128.52 3f4x s LYS 113 Ca 0.55 0.07 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 3f4x s LYS 113 Cb -0.24 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 3f4x s LYS 113 CO 0.22 0.33 0.81 0.71 -0.92 0.00 0.00 175.35 176.50 3f4x s TYR 114 N 0.21 3.09 0.39 3.18 1.51 -1.26 -4.57 117.35 119.90 3f4x s TYR 114 Ca 0.16 0.32 0.17 0.00 -1.01 0.00 0.00 57.07 56.71 3f4x s TYR 114 Cb -0.13 -2.68 1.00 0.00 -0.11 0.00 0.00 41.96 40.04 3f4x s TYR 114 CO 0.04 -0.78 1.94 0.00 -1.11 0.00 0.00 175.55 175.64 3f4x h ALA 115 N 0.00 1.43 -2.77 3.71 0.00 -1.29 -1.31 119.26 119.03 3f4x h ALA 115 Ca -0.45 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.33 3f4x h ALA 115 Cb 1.27 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3f4x h ALA 115 CO 0.57 0.31 0.35 0.00 0.00 0.00 0.00 179.25 180.48 3f4x s ALA 116 N -4.29 -1.27 -0.07 0.00 0.00 -0.93 -3.17 121.76 112.03 3f4x s ALA 116 Ca -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 3f4x s ALA 116 Cb 0.14 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.04 3f4x s ALA 116 CO 0.68 -1.03 0.15 -2.00 0.00 0.00 0.00 175.76 173.56 3f4x s GLU 117 N -3.16 0.11 -0.11 0.00 2.12 0.16 -0.66 118.70 117.15 3f4x s GLU 117 Ca 0.14 0.35 -0.10 0.00 0.36 0.00 0.00 54.97 55.72 3f4x s GLU 117 Cb -0.04 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.17 3f4x s GLU 117 CO 0.07 -0.14 0.22 -1.17 -0.54 0.00 0.00 175.26 173.69 3f4x s LEU 118 N 1.01 4.35 -0.18 2.70 2.96 0.85 -0.43 118.68 129.94 3f4x s LEU 118 Ca -0.08 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3f4x s LEU 118 Cb -0.10 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.39 3f4x s LEU 118 CO -0.05 0.31 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.15 3f4x s HIS 119 N -0.57 2.43 -0.32 5.38 3.76 0.17 -0.62 115.29 125.52 3f4x s HIS 119 Ca 0.16 -1.48 -0.10 0.00 -0.15 0.00 0.00 55.06 53.49 3f4x s HIS 119 Cb -0.13 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 3f4x s HIS 119 CO 0.05 -0.73 0.16 -0.51 -0.85 0.00 0.00 174.74 172.86 3f4x s LEU 120 N 1.40 4.17 -0.17 0.89 1.43 -0.58 -1.94 118.68 123.88 3f4x s LEU 120 Ca 0.02 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3f4x s LEU 120 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3f4x s LEU 120 CO -0.10 -0.21 0.06 -0.69 0.23 0.00 0.00 176.35 175.63 3f4x s VAL 121 N 1.61 4.75 0.03 -1.59 1.01 0.12 -1.52 120.40 124.81 3f4x s VAL 121 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3f4x s VAL 121 Cb -0.17 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3f4x s VAL 121 CO 0.06 0.48 -0.10 -1.00 0.00 0.00 0.00 175.10 174.54 3f4x s HIS 122 N 0.20 0.91 0.06 5.22 3.76 -0.29 -0.81 115.29 124.33 3f4x s HIS 122 Ca 0.04 -0.34 0.09 0.00 -0.15 0.00 0.00 55.06 54.70 3f4x s HIS 122 Cb -0.12 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 3f4x s HIS 122 CO 0.01 -0.01 -0.24 1.67 -0.85 0.00 0.00 174.74 175.31 3f4x s TRP 123 N -0.83 2.38 -0.12 1.40 1.48 0.28 -1.28 118.94 122.25 3f4x s TRP 123 Ca -0.02 -0.37 -0.29 0.00 -1.06 0.00 0.00 56.10 54.37 3f4x s TRP 123 Cb -0.07 -1.39 -0.05 0.00 -1.16 0.00 0.00 33.47 30.81 3f4x s TRP 123 CO 0.01 0.20 1.71 1.21 -4.06 0.00 0.00 176.95 176.02 3f4x s ASN 124 N -1.44 6.44 0.54 -2.66 3.84 0.59 -0.17 114.94 122.08 3f4x s ASN 124 Ca 0.13 2.01 0.24 0.00 0.21 0.00 0.00 52.86 55.45 3f4x s ASN 124 Cb -0.10 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.58 3f4x s ASN 124 CO 0.04 -1.15 2.16 0.71 -2.79 0.00 0.00 177.10 176.07 3f4x h THR 125 N 5.93 0.74 0.00 -5.21 1.35 -1.38 -2.19 112.91 112.14 3f4x h THR 125 Ca -0.38 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3f4x h THR 125 Cb 1.18 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3f4x h THR 125 CO 0.97 0.05 0.03 2.29 -0.25 0.00 0.00 175.52 178.60 3f4x n LYS 127 N -4.04 0.06 -0.21 4.72 2.85 -1.26 -2.13 118.16 118.15 3f4x n LYS 127 Ca -0.03 0.55 0.11 0.00 -1.05 0.00 0.00 58.31 57.89 3f4x n LYS 127 Cb 0.14 -1.72 0.21 0.00 -0.65 0.00 0.00 35.03 33.01 3f4x n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3f4x n TYR 128 N -1.82 0.54 0.00 5.58 0.53 -0.82 -5.01 117.16 116.16 3f4x n TYR 128 Ca -0.01 -0.30 0.00 0.00 -1.02 0.00 0.00 57.90 56.57 3f4x n TYR 128 Cb 0.04 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.35 3f4x n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3f4x n GLY 129 N 1.36 1.33 3.73 2.72 0.00 -0.90 -4.46 105.19 108.97 3f4x n GLY 129 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3f4x n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f4x s ASP 130 N 0.00 0.06 0.12 1.61 1.47 -1.26 -5.06 116.67 113.60 3f4x s ASP 130 Ca 0.00 -1.01 -0.21 0.00 1.18 0.00 0.00 52.55 52.51 3f4x s ASP 130 Cb 0.00 0.74 -0.07 0.00 -0.34 0.00 0.00 42.92 43.25 3f4x s ASP 130 CO 0.00 -1.43 1.73 0.15 0.68 0.00 0.00 175.17 176.30 3f4x h PHE 131 N 2.07 0.03 -0.98 2.11 3.04 -1.93 -1.49 116.94 119.78 3f4x h PHE 131 Ca -0.27 0.01 0.11 0.00 3.98 0.00 0.00 57.97 61.80 3f4x h PHE 131 Cb 1.25 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.69 3f4x h PHE 131 CO 0.95 0.00 0.63 0.78 -2.02 0.00 0.00 178.31 178.65 3f4x h GLY 132 N 0.07 1.56 1.35 2.40 0.00 -1.97 -1.24 103.07 105.25 3f4x h GLY 132 Ca 0.07 -0.42 -0.23 0.00 0.00 0.00 0.00 47.33 46.75 3f4x h GLY 132 CO -0.10 0.19 -0.86 0.50 0.00 0.00 0.00 176.54 176.27 3f4x h LYS 133 N 0.99 0.61 -0.86 4.80 1.79 -1.78 -3.32 116.57 118.80 3f4x h LYS 133 Ca 0.48 -0.56 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3f4x h LYS 133 Cb 0.45 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 3f4x h LYS 133 CO -0.24 1.18 0.43 0.00 -1.08 0.00 0.00 179.45 179.74 3f4x h ALA 134 N 0.65 1.14 0.00 3.86 0.00 -0.56 -2.06 119.26 122.27 3f4x h ALA 134 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3f4x h ALA 134 Cb 1.48 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f4x h ALA 134 CO 0.16 0.66 0.00 1.33 0.00 0.00 0.00 179.25 181.41 3f4x n VAL 135 N -4.31 0.00 -0.29 0.00 0.24 -0.53 -1.16 118.33 112.28 3f4x n VAL 135 Ca 0.09 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.46 3f4x n VAL 135 Cb 0.13 -0.20 0.22 0.00 -1.47 0.00 0.00 33.84 32.52 3f4x n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f4x n GLN 136 N -0.49 2.87 -4.63 7.34 6.02 -0.77 -4.92 117.38 122.80 3f4x n GLN 136 Ca 0.00 -2.31 -0.25 0.00 -0.01 0.00 0.00 57.00 54.44 3f4x n GLN 136 Cb 0.00 -1.41 -0.14 0.00 1.02 0.00 0.00 30.24 29.71 3f4x n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3f4x s GLN 137 N -1.10 1.35 0.51 -1.09 -1.52 -0.31 -5.04 119.66 112.46 3f4x s GLN 137 Ca 0.33 -0.90 0.21 0.00 -1.95 0.00 0.00 55.36 53.05 3f4x s GLN 137 Cb 0.18 -1.44 1.33 0.00 -0.22 0.00 0.00 33.01 32.86 3f4x s GLN 137 CO 0.21 0.37 2.09 -1.00 -0.25 0.00 0.00 175.29 176.71 3f4x h PRO 138 N 4.94 0.00 -0.43 2.91 0.13 -1.85 -2.60 132.00 135.10 3f4x h PRO 138 Ca -0.42 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.42 3f4x h PRO 138 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 3f4x h PRO 138 CO 0.44 0.10 -0.48 -0.40 -0.23 0.00 0.00 178.00 177.43 3f4x n ASP 139 N -4.09 3.50 0.08 1.44 3.85 -1.26 -4.23 116.55 115.84 3f4x n ASP 139 Ca -0.02 -3.82 -0.07 0.00 -0.71 0.00 0.00 54.79 50.17 3f4x n ASP 139 Cb 0.18 -0.50 0.06 0.00 -1.35 0.00 0.00 41.12 39.52 3f4x n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3f4x h GLY 140 N 1.54 0.28 -3.36 6.12 0.00 -1.27 -3.43 103.07 102.95 3f4x h GLY 140 Ca 0.23 -0.39 -0.41 0.00 0.00 0.00 0.00 47.33 46.75 3f4x h GLY 140 CO 0.47 0.35 -0.75 1.08 0.00 0.00 0.00 176.54 177.69 3f4x s LEU 141 N -7.76 2.44 -0.05 3.11 1.43 0.11 -0.30 118.68 117.66 3f4x s LEU 141 Ca -0.04 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3f4x s LEU 141 Cb 0.11 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.80 3f4x s LEU 141 CO 0.81 -0.17 -0.03 0.00 0.23 0.00 0.00 176.35 177.20 3f4x s ALA 142 N -2.39 0.62 -0.14 4.21 0.00 -0.40 -0.90 121.76 122.76 3f4x s ALA 142 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3f4x s ALA 142 Cb -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3f4x s ALA 142 CO 0.03 -0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.57 3f4x s VAL 143 N 1.11 2.20 -0.33 0.00 1.01 -0.77 -1.13 120.40 122.49 3f4x s VAL 143 Ca -0.08 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 3f4x s VAL 143 Cb -0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 3f4x s VAL 143 CO -0.01 0.54 0.65 -0.22 0.00 0.00 0.00 175.10 176.06 3f4x s LEU 144 N 0.74 4.20 -0.14 3.92 0.20 -0.58 -1.30 118.68 125.72 3f4x s LEU 144 Ca -0.08 0.28 -0.06 0.00 0.69 0.00 0.00 54.13 54.96 3f4x s LEU 144 Cb -0.16 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.75 3f4x s LEU 144 CO 0.00 -0.56 0.05 -0.83 -0.29 0.00 0.00 176.35 174.73 3f4x s GLY 145 N 1.73 1.93 -0.06 7.98 0.00 0.71 -1.53 107.32 118.08 3f4x s GLY 145 Ca 0.25 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3f4x s GLY 145 CO 0.14 -0.21 -0.08 -0.42 0.00 0.00 0.00 173.10 172.53 3f4x s ILE 146 N -0.24 0.82 0.40 0.90 1.01 0.21 -1.21 121.20 123.08 3f4x s ILE 146 Ca 0.08 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 3f4x s ILE 146 Cb -0.12 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 3f4x s ILE 146 CO 0.02 0.29 0.96 -0.36 0.00 0.00 0.00 174.94 175.84 3f4x s PHE 147 N 0.90 3.41 -0.11 3.97 0.08 -1.26 -0.11 117.98 124.86 3f4x s PHE 147 Ca -0.11 1.66 0.04 0.00 0.12 0.00 0.00 56.93 58.64 3f4x s PHE 147 Cb -0.15 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 3f4x s PHE 147 CO 0.01 -0.07 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.32 3f4x s LEU 148 N -2.82 2.11 0.21 -0.37 1.02 0.16 -0.09 118.68 118.90 3f4x s LEU 148 Ca 0.58 -0.56 0.09 0.00 0.02 0.00 0.00 54.13 54.26 3f4x s LEU 148 Cb -0.13 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 3f4x s LEU 148 CO 0.17 0.14 -0.10 -1.59 0.02 0.00 0.00 176.35 175.00 3f4x s LYS 149 N 0.43 2.03 -0.10 1.70 -2.85 0.24 -1.44 119.74 119.75 3f4x s LYS 149 Ca -0.17 -1.36 -0.24 0.00 -1.00 0.00 0.00 55.97 53.20 3f4x s LYS 149 Cb -0.17 -2.10 -0.03 0.00 -2.06 0.00 0.00 37.83 33.47 3f4x s LYS 149 CO 0.07 0.41 0.76 0.08 0.10 0.00 0.00 175.35 176.76 3f4x s VAL 150 N -1.89 4.99 0.00 1.79 1.01 -1.26 -0.26 120.40 124.77 3f4x s VAL 150 Ca 0.26 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.77 3f4x s VAL 150 Cb -0.08 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3f4x s VAL 150 CO 0.16 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3f4x n GLY 151 N 3.23 0.13 3.79 4.51 0.00 0.64 -4.88 105.19 112.61 3f4x n GLY 151 Ca 0.01 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 3f4x n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4x s SER 152 N 2.00 6.23 0.59 1.61 1.04 -1.26 -4.12 113.70 119.78 3f4x s SER 152 Ca 0.00 1.99 -0.20 0.00 0.48 0.00 0.00 55.95 58.21 3f4x s SER 152 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 3f4x s SER 152 CO 0.00 -0.86 1.34 0.00 0.98 0.00 0.00 173.24 174.70 3f4x n ALA 153 N -1.00 1.45 -2.87 5.32 0.00 -1.26 -2.41 120.51 119.74 3f4x n ALA 153 Ca 0.10 0.08 -0.44 0.00 0.00 0.00 0.00 53.44 53.18 3f4x n ALA 153 Cb 0.52 -2.35 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 3f4x n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3f4x s LYS 154 N -3.07 2.95 0.22 0.00 2.47 -1.22 -4.76 119.74 116.33 3f4x s LYS 154 Ca 0.76 -1.33 -0.08 0.00 -1.56 0.00 0.00 55.97 53.76 3f4x s LYS 154 Cb -0.40 -4.09 0.29 0.00 -1.46 0.00 0.00 37.83 32.17 3f4x s LYS 154 CO 0.46 -0.99 1.80 -1.35 0.16 0.00 0.00 175.35 175.42 3f4x h PRO 155 N 8.71 0.67 0.00 4.03 0.11 -1.91 -1.36 132.00 142.25 3f4x h PRO 155 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3f4x h PRO 155 Cb 1.11 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3f4x h PRO 155 CO 0.85 0.44 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 3f4x n GLY 156 N -1.30 -0.69 0.02 -0.55 0.00 -1.25 -1.82 105.19 99.60 3f4x n GLY 156 Ca 0.10 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3f4x n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f4x n LEU 157 N -1.17 0.43 -0.07 0.99 7.94 -0.51 -4.65 117.00 119.96 3f4x n LEU 157 Ca 0.09 -0.07 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 3f4x n LEU 157 Cb 0.10 -0.03 0.26 0.00 0.53 0.00 0.00 43.42 44.28 3f4x n LEU 157 CO 0.11 0.04 0.99 -0.61 -1.11 0.00 0.00 177.39 176.81 3f4x h GLN 158 N 0.00 0.68 -0.76 1.96 5.75 -1.39 -1.28 115.11 120.08 3f4x h GLN 158 Ca 0.00 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3f4x h GLN 158 Cb 0.84 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 3f4x h GLN 158 CO 0.00 0.63 0.50 0.87 -2.65 0.00 0.00 178.83 178.18 3f4x h LYS 159 N 0.67 0.99 0.05 1.69 1.57 -1.82 0.55 116.57 120.27 3f4x h LYS 159 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3f4x h LYS 159 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3f4x h LYS 159 CO -0.00 0.66 -0.03 0.28 -0.57 0.00 0.00 179.45 179.79 3f4x h VAL 160 N 1.02 1.18 -0.81 0.50 2.07 -1.66 -3.02 116.25 115.54 3f4x h VAL 160 Ca 0.28 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.13 3f4x h VAL 160 Cb -0.11 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3f4x h VAL 160 CO -0.06 0.20 0.42 0.58 0.02 0.00 0.00 177.57 178.73 3f4x h VAL 161 N -0.43 0.79 0.00 2.57 2.07 -0.33 -2.38 116.25 118.55 3f4x h VAL 161 Ca -0.01 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3f4x h VAL 161 Cb 0.38 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3f4x h VAL 161 CO 0.01 0.12 -0.21 0.44 0.02 0.00 0.00 177.57 177.95 3f4x h ASP 162 N 0.65 0.00 0.42 0.57 3.32 0.08 -2.95 116.42 118.51 3f4x h ASP 162 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3f4x h ASP 162 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3f4x h ASP 162 CO -0.32 0.21 -0.73 0.55 -1.72 0.00 0.00 179.24 177.23 3f4x n VAL 163 N -3.54 0.07 0.05 -1.35 3.14 -0.91 -4.29 118.33 111.51 3f4x n VAL 163 Ca -0.01 -0.08 0.14 0.00 -2.96 0.00 0.00 64.34 61.43 3f4x n VAL 163 Cb 0.36 0.35 0.62 0.00 -1.06 0.00 0.00 33.84 34.11 3f4x n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3f4x h LEU 164 N 0.00 0.11 -0.93 6.55 3.38 -1.36 -0.23 115.31 122.83 3f4x h LEU 164 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3f4x h LEU 164 Cb 0.57 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 3f4x h LEU 164 CO 0.00 0.07 0.52 0.44 0.09 0.00 0.00 178.44 179.56 3f4x h ASP 165 N 0.12 0.64 1.41 -0.43 3.32 -1.79 -2.12 116.42 117.58 3f4x h ASP 165 Ca 0.18 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3f4x h ASP 165 Cb 0.56 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3f4x h ASP 165 CO -0.02 0.24 0.00 0.28 -1.72 0.00 0.00 179.24 178.02 3f4x h SER 166 N 0.68 0.00 -0.92 6.45 0.02 -1.33 -3.28 113.55 115.17 3f4x h SER 166 Ca 0.53 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.98 3f4x h SER 166 Cb 0.79 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.91 3f4x h SER 166 CO -0.38 0.00 -0.88 2.30 -1.14 0.00 0.00 176.83 176.73 3f4x n ILE 167 N -2.49 2.16 -0.18 3.27 -5.35 -0.81 -4.75 119.36 111.21 3f4x n ILE 167 Ca 0.04 -4.10 0.02 0.00 -0.27 0.00 0.00 62.75 58.44 3f4x n ILE 167 Cb 0.40 -0.64 0.29 0.00 -1.74 0.00 0.00 39.64 37.96 3f4x n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3f4x h LYS 168 N 2.42 0.87 -6.01 6.28 3.64 -1.59 -3.43 116.57 118.75 3f4x h LYS 168 Ca 0.23 -0.05 -0.61 0.00 -1.27 0.00 0.00 60.65 58.95 3f4x h LYS 168 Cb 1.31 -0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 3f4x h LYS 168 CO 0.67 0.58 -0.71 0.95 -2.27 0.00 0.00 179.45 178.67 3f4x s THR 169 N -5.77 2.29 0.10 1.00 -4.23 -1.26 -0.34 115.64 107.44 3f4x s THR 169 Ca -0.10 -2.28 -0.36 0.00 -1.18 0.00 0.00 61.69 57.77 3f4x s THR 169 Cb 0.18 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.35 3f4x s THR 169 CO 0.77 -0.28 1.35 1.17 -0.54 0.00 0.00 174.62 177.09 3f4x n LYS 170 N -0.72 1.27 0.00 3.99 4.81 -0.13 -2.25 118.16 125.13 3f4x n LYS 170 Ca -0.05 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3f4x n LYS 170 Cb 0.62 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3f4x n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f4x n GLY 171 N 2.57 1.99 3.74 3.14 0.00 0.11 -4.55 105.19 112.19 3f4x n GLY 171 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3f4x n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f4x s LYS 172 N -0.39 4.57 0.14 1.61 -0.14 -0.96 -4.87 119.74 119.72 3f4x s LYS 172 Ca 0.00 1.78 0.05 0.00 -1.36 0.00 0.00 55.97 56.44 3f4x s LYS 172 Cb 0.00 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 3f4x s LYS 172 CO 0.00 0.06 -0.10 -1.54 -0.76 0.00 0.00 175.35 173.00 3f4x s SER 173 N -0.21 1.80 0.01 2.83 1.04 -1.26 -1.00 113.70 116.91 3f4x s SER 173 Ca 0.49 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 3f4x s SER 173 Cb -0.31 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 3f4x s SER 173 CO 0.37 -0.32 0.01 0.00 0.98 0.00 0.00 173.24 174.28 3f4x s ALA 174 N -3.22 0.01 0.20 5.32 0.00 -0.01 -4.93 121.76 119.13 3f4x s ALA 174 Ca 0.16 -0.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.47 3f4x s ALA 174 Cb 0.02 0.09 -0.15 0.00 0.00 0.00 0.00 23.12 23.07 3f4x s ALA 174 CO 0.01 -0.12 1.20 -0.25 0.00 0.00 0.00 175.76 176.60 3f4x n ASP 175 N 2.03 1.67 -2.93 0.00 9.92 -1.26 -1.02 116.55 124.96 3f4x n ASP 175 Ca -0.20 1.15 -0.14 0.00 -0.53 0.00 0.00 54.79 55.07 3f4x n ASP 175 Cb 0.57 -1.27 0.02 0.00 -0.64 0.00 0.00 41.12 39.80 3f4x n ASP 175 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3f4x n PHE 176 N 1.45 -1.75 -2.92 1.24 7.35 -0.68 -4.70 117.46 117.46 3f4x n PHE 176 Ca 0.14 -2.74 -0.28 0.00 -0.76 0.00 0.00 57.45 53.81 3f4x n PHE 176 Cb 0.27 0.76 -0.01 0.00 0.35 0.00 0.00 39.48 40.84 3f4x n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3f4x s THR 177 N -0.61 4.94 -1.60 -2.13 -4.23 -1.24 -2.95 115.64 107.81 3f4x s THR 177 Ca 0.31 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3f4x s THR 177 Cb 0.28 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.30 3f4x s THR 177 CO -0.11 -0.65 0.05 0.59 -0.54 0.00 0.00 174.62 173.96 3f4x n ASN 178 N -1.76 -5.48 -4.73 3.99 4.13 -1.25 -4.96 115.26 105.20 3f4x n ASN 178 Ca -0.00 -0.04 -0.39 0.00 1.68 0.00 0.00 54.58 55.83 3f4x n ASN 178 Cb 0.55 -4.51 -0.05 0.00 -1.54 0.00 0.00 39.78 34.23 3f4x n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3f4x s PHE 179 N -2.96 3.58 -0.41 3.10 5.36 -1.26 -5.02 117.98 120.38 3f4x s PHE 179 Ca 0.02 1.13 -0.14 0.00 -0.96 0.00 0.00 56.93 56.98 3f4x s PHE 179 Cb -0.01 -2.68 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 3f4x s PHE 179 CO 0.03 0.17 0.29 0.34 -1.46 0.00 0.00 175.22 174.59 3f4x s ASP 180 N 0.52 5.99 0.01 6.13 3.68 -1.26 -4.48 116.67 127.25 3f4x s ASP 180 Ca 0.32 -1.03 0.12 0.00 2.13 0.00 0.00 52.55 54.10 3f4x s ASP 180 Cb -0.17 -2.12 0.53 0.00 -1.45 0.00 0.00 42.92 39.72 3f4x s ASP 180 CO 0.15 -0.47 1.40 -0.81 0.13 0.00 0.00 175.17 175.57 3f4x n PRO 181 N 5.11 0.01 0.28 4.34 -0.04 -1.26 -2.76 135.00 140.68 3f4x n PRO 181 Ca -0.11 0.29 0.16 0.00 -0.04 0.00 0.00 63.50 63.80 3f4x n PRO 181 Cb 0.46 -1.51 0.84 0.00 -0.04 0.00 0.00 33.50 33.25 3f4x n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f4x h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -2.49 114.38 113.58 3f4x h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f4x h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3f4x h ARG 182 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 3f4x n GLY 183 N -0.68 -0.98 0.38 0.04 0.00 -1.11 -3.11 105.19 99.73 3f4x n GLY 183 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3f4x n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f4x n LEU 184 N -0.83 1.67 -4.83 0.99 4.77 -0.94 -3.90 117.00 113.94 3f4x n LEU 184 Ca 0.15 -0.77 -0.36 0.00 -0.03 0.00 0.00 56.01 55.00 3f4x n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3f4x n LEU 184 CO 0.12 0.32 0.32 -0.76 -1.33 0.00 0.00 177.39 176.06 3f4x s LEU 185 N -2.03 4.37 1.07 2.23 1.43 -1.18 -4.93 118.68 119.65 3f4x s LEU 185 Ca 0.14 1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 3f4x s LEU 185 Cb 0.13 -3.34 0.25 0.00 0.03 0.00 0.00 46.19 43.25 3f4x s LEU 185 CO 0.41 0.10 1.25 -2.16 0.23 0.00 0.00 176.35 176.18 3f4x s PRO 186 N -1.82 -0.25 0.02 1.29 0.04 -1.26 -4.99 135.00 128.03 3f4x s PRO 186 Ca 0.39 -0.33 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 3f4x s PRO 186 Cb -0.17 -1.73 -0.17 0.00 0.04 0.00 0.00 34.50 32.47 3f4x s PRO 186 CO 0.20 -3.02 1.35 0.93 0.04 0.00 0.00 177.00 176.51 3f4x h GLU 187 N -2.08 -0.28 -6.46 4.56 5.08 -1.92 -3.44 114.58 110.03 3f4x h GLU 187 Ca -0.44 0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.40 3f4x h GLU 187 Cb 1.25 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3f4x h GLU 187 CO 0.34 0.01 0.10 0.45 -1.00 0.00 0.00 179.01 178.91 3f4x s SER 188 N -5.17 7.20 -0.13 1.42 0.15 -1.26 -4.97 113.70 110.93 3f4x s SER 188 Ca -0.15 1.47 0.18 0.00 0.70 0.00 0.00 55.95 58.15 3f4x s SER 188 Cb 0.03 -2.44 0.75 0.00 -1.71 0.00 0.00 66.02 62.65 3f4x s SER 188 CO 0.60 0.17 1.66 0.18 1.20 0.00 0.00 173.24 177.05 3f4x n LEU 189 N 1.34 4.97 -4.68 3.45 4.77 -1.26 -4.71 117.00 120.88 3f4x n LEU 189 Ca -0.06 -2.51 -0.44 0.00 -0.03 0.00 0.00 56.01 52.97 3f4x n LEU 189 Cb 0.50 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3f4x n LEU 189 CO 0.44 0.79 1.05 0.47 -1.33 0.00 0.00 177.39 178.81 3f4x n ASP 190 N 1.08 2.93 -3.86 -1.43 10.43 -1.26 -4.91 116.55 119.54 3f4x n ASP 190 Ca 0.26 1.14 -0.09 0.00 2.57 0.00 0.00 54.79 58.68 3f4x n ASP 190 Cb 0.95 -1.45 -0.07 0.00 1.84 0.00 0.00 41.12 42.39 3f4x n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3f4x s TYR 191 N -0.05 0.17 0.02 1.24 -0.85 -1.26 -1.17 117.35 115.45 3f4x s TYR 191 Ca 0.67 -0.58 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 3f4x s TYR 191 Cb -0.62 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.64 3f4x s TYR 191 CO 0.49 -0.59 0.04 -1.58 -1.52 0.00 0.00 175.55 172.40 3f4x s TRP 192 N -3.88 3.17 0.00 -3.49 0.51 0.49 -1.34 118.94 114.40 3f4x s TRP 192 Ca 0.07 0.12 0.03 0.00 -2.12 0.00 0.00 56.10 54.20 3f4x s TRP 192 Cb 0.04 -1.68 -0.01 0.00 -0.81 0.00 0.00 33.47 31.02 3f4x s TRP 192 CO -0.09 0.51 -0.08 -0.08 -0.51 0.00 0.00 176.95 176.70 3f4x s THR 193 N -1.20 0.63 0.04 2.01 -1.32 0.28 -0.64 115.64 115.45 3f4x s THR 193 Ca 0.23 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 60.01 3f4x s THR 193 Cb -0.12 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 70.37 3f4x s THR 193 CO 0.14 0.08 0.53 -0.72 -2.21 0.00 0.00 174.62 172.44 3f4x s TYR 194 N -0.39 -0.44 0.08 9.09 -0.85 -1.08 -1.05 117.35 122.72 3f4x s TYR 194 Ca 0.01 0.51 -0.30 0.00 -0.52 0.00 0.00 57.07 56.77 3f4x s TYR 194 Cb -0.04 0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 3f4x s TYR 194 CO -0.00 -0.64 1.01 -1.25 -1.52 0.00 0.00 175.55 173.15 3f4x s PRO 195 N -2.37 4.61 0.00 -3.49 0.04 -1.26 -1.30 135.00 131.23 3f4x s PRO 195 Ca -0.06 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3f4x s PRO 195 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3f4x s PRO 195 CO -0.01 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3f4x n GLY 196 N 2.51 3.87 3.29 0.56 0.00 0.83 -4.82 105.19 111.43 3f4x n GLY 196 Ca 0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 3f4x n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4x s SER 197 N 1.80 1.14 0.48 1.61 1.04 -1.07 -2.27 113.70 116.43 3f4x s SER 197 Ca 0.00 -1.52 -0.24 0.00 0.48 0.00 0.00 55.95 54.67 3f4x s SER 197 Cb 0.00 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 3f4x s SER 197 CO 0.00 -0.88 1.35 -0.76 0.98 0.00 0.00 173.24 173.92 3f4x s LEU 198 N -3.31 4.02 0.00 2.42 1.43 -0.53 -4.56 118.68 118.16 3f4x s LEU 198 Ca 0.38 2.74 0.25 0.00 -1.03 0.00 0.00 54.13 56.46 3f4x s LEU 198 Cb 0.05 -4.09 0.39 0.00 0.03 0.00 0.00 46.19 42.57 3f4x s LEU 198 CO 0.17 -1.23 1.36 0.35 0.23 0.00 0.00 176.35 177.23 3f4x n THR 199 N -0.47 0.00 -4.30 5.49 -2.24 -1.26 -4.45 114.28 107.04 3f4x n THR 199 Ca 0.07 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 3f4x n THR 199 Cb 0.44 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 3f4x n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f4x s THR 200 N -2.14 3.01 0.42 4.28 -4.23 -1.26 -4.72 115.64 110.99 3f4x s THR 200 Ca 0.28 -1.61 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 3f4x s THR 200 Cb 0.20 -2.44 -0.11 0.00 1.34 0.00 0.00 72.50 71.49 3f4x s THR 200 CO 0.38 -0.02 0.88 -2.65 -0.54 0.00 0.00 174.62 172.68 3f4x n PRO 201 N 0.39 1.11 0.00 3.99 -0.02 -1.26 -0.53 135.00 138.67 3f4x n PRO 201 Ca -0.13 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 3f4x n PRO 201 Cb 0.54 -1.88 0.17 0.00 -0.02 0.00 0.00 33.50 32.32 3f4x n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3f4x n PRO 202 N 0.26 0.83 -2.80 0.52 -0.04 -1.26 -5.00 135.00 127.51 3f4x n PRO 202 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 3f4x n PRO 202 Cb 0.39 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 3f4x n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3f4x n LEU 203 N -0.61 -1.91 -4.78 1.53 4.77 0.31 -4.90 117.00 111.41 3f4x n LEU 203 Ca 0.04 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 3f4x n LEU 203 Cb 0.02 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 38.50 3f4x n LEU 203 CO 0.03 0.02 1.07 -0.76 -1.33 0.00 0.00 177.39 176.43 3f4x s LEU 204 N -6.23 4.36 -1.26 2.23 1.43 -1.26 -4.35 118.68 113.60 3f4x s LEU 204 Ca 0.18 2.90 -0.08 0.00 -1.03 0.00 0.00 54.13 56.10 3f4x s LEU 204 Cb -0.09 -3.66 0.18 0.00 0.03 0.00 0.00 46.19 42.65 3f4x s LEU 204 CO 0.22 -0.73 1.95 -0.62 0.23 0.00 0.00 176.35 177.40 3f4x n GLU 205 N 0.61 4.01 0.00 1.70 1.02 -1.26 -1.46 120.64 125.26 3f4x n GLU 205 Ca 0.01 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 3f4x n GLU 205 Cb 0.40 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 3f4x n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f4x s VAL 207 N -0.46 4.21 -0.35 0.00 1.01 -0.96 0.06 120.40 123.90 3f4x s VAL 207 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 3f4x s VAL 207 Cb 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3f4x s VAL 207 CO 0.00 0.47 0.59 -0.89 0.00 0.00 0.00 175.10 175.27 3f4x s THR 208 N 0.51 4.94 0.03 3.92 2.01 -0.08 -0.12 115.64 126.85 3f4x s THR 208 Ca -0.01 0.53 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 3f4x s THR 208 Cb -0.14 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 3f4x s THR 208 CO 0.02 -0.26 0.62 0.26 -0.69 0.00 0.00 174.62 174.57 3f4x s TRP 209 N 2.58 3.74 -0.28 4.92 0.52 -0.42 -1.84 118.94 128.16 3f4x s TRP 209 Ca 0.22 1.28 -0.00 0.00 0.02 0.00 0.00 56.10 57.62 3f4x s TRP 209 Cb -0.15 -2.61 0.09 0.00 -1.15 0.00 0.00 33.47 29.64 3f4x s TRP 209 CO 0.14 0.42 0.05 0.42 0.02 0.00 0.00 176.95 178.00 3f4x s ILE 210 N -0.48 1.12 -0.26 2.03 1.01 -0.42 -2.63 121.20 121.57 3f4x s ILE 210 Ca 0.32 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 3f4x s ILE 210 Cb -0.19 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3f4x s ILE 210 CO 0.19 -0.47 0.06 -0.69 0.00 0.00 0.00 174.94 174.02 3f4x s VAL 211 N 1.53 4.01 0.23 2.92 1.01 0.19 -0.21 120.40 130.08 3f4x s VAL 211 Ca 0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3f4x s VAL 211 Cb -0.18 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 3f4x s VAL 211 CO -0.16 0.24 1.21 -0.76 0.00 0.00 0.00 175.10 175.63 3f4x s LEU 212 N 1.54 4.46 0.19 3.92 1.43 -0.35 -0.38 118.68 129.49 3f4x s LEU 212 Ca 0.05 2.35 -0.05 0.00 -1.03 0.00 0.00 54.13 55.45 3f4x s LEU 212 Cb -0.16 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.56 3f4x s LEU 212 CO 0.02 -0.37 1.55 0.50 0.23 0.00 0.00 176.35 178.27 3f4x h LYS 213 N 4.64 0.71 -5.87 1.70 3.64 -1.48 -3.42 116.57 116.49 3f4x h LYS 213 Ca -0.46 -0.37 -0.60 0.00 -1.27 0.00 0.00 60.65 57.96 3f4x h LYS 213 Cb 1.22 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 3f4x h LYS 213 CO 0.72 0.98 0.50 -2.00 -2.27 0.00 0.00 179.45 177.38 3f4x s GLU 214 N -4.31 4.06 0.61 1.90 2.12 -1.26 -5.01 118.70 116.81 3f4x s GLU 214 Ca -0.09 0.80 -0.14 0.00 0.36 0.00 0.00 54.97 55.91 3f4x s GLU 214 Cb 0.12 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 3f4x s GLU 214 CO 0.85 -0.66 1.04 -1.25 -0.54 0.00 0.00 175.26 174.69 3f4x s PRO 215 N 3.04 3.39 0.19 4.30 0.04 -1.26 -4.64 135.00 140.06 3f4x s PRO 215 Ca 0.36 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3f4x s PRO 215 Cb -0.14 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 3f4x s PRO 215 CO 0.11 -0.74 0.46 0.96 0.04 0.00 0.00 177.00 177.83 3f4x s ILE 216 N -2.74 5.06 -0.11 0.56 -4.36 0.87 -4.88 121.20 115.59 3f4x s ILE 216 Ca 0.60 0.22 -0.05 0.00 -0.26 0.00 0.00 60.65 61.16 3f4x s ILE 216 Cb -0.13 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 3f4x s ILE 216 CO 0.43 -0.03 0.09 -0.94 0.24 0.00 0.00 174.94 174.73 3f4x s SER 217 N -2.44 6.00 0.22 4.36 1.04 -1.26 -0.59 113.70 121.04 3f4x s SER 217 Ca 0.44 0.36 0.08 0.00 0.48 0.00 0.00 55.95 57.31 3f4x s SER 217 Cb -0.12 -1.87 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 3f4x s SER 217 CO 0.23 0.40 -0.15 0.68 0.98 0.00 0.00 173.24 175.38 3f4x s VAL 218 N -0.96 1.87 0.57 5.02 -7.23 0.64 -3.40 120.40 116.91 3f4x s VAL 218 Ca 0.14 -2.24 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 3f4x s VAL 218 Cb -0.12 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3f4x s VAL 218 CO 0.03 -0.54 0.98 -0.94 -0.31 0.00 0.00 175.10 174.32 3f4x s SER 219 N -3.36 6.31 0.22 4.85 1.04 -1.14 -0.26 113.70 121.35 3f4x s SER 219 Ca 0.24 1.37 -0.08 0.00 0.48 0.00 0.00 55.95 57.96 3f4x s SER 219 Cb -0.01 -2.44 0.30 0.00 0.10 0.00 0.00 66.02 63.96 3f4x s SER 219 CO 0.09 -0.76 1.77 0.77 0.98 0.00 0.00 173.24 176.09 3f4x h SER 220 N 0.03 0.41 0.77 7.02 4.64 -1.92 -2.26 113.55 122.24 3f4x h SER 220 Ca -0.45 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 3f4x h SER 220 Cb 1.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3f4x h SER 220 CO 0.62 0.24 -0.38 1.05 -0.87 0.00 0.00 176.83 177.49 3f4x h GLU 221 N 0.56 0.00 0.03 4.77 9.09 -1.95 -0.33 114.58 126.75 3f4x h GLU 221 Ca 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.73 3f4x h GLU 221 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3f4x h GLU 221 CO -0.26 0.38 -0.02 1.96 0.05 0.00 0.00 179.01 181.13 3f4x h GLN 222 N 0.00 -0.04 -0.38 1.06 4.20 -1.83 -2.80 115.11 115.32 3f4x h GLN 222 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3f4x h GLN 222 Cb 0.87 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3f4x h GLN 222 CO 0.05 0.14 -0.14 0.28 -0.67 0.00 0.00 178.83 178.48 3f4x h VAL 223 N -0.22 1.25 -0.82 -0.54 2.07 -1.29 -2.75 116.25 113.96 3f4x h VAL 223 Ca -0.00 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.42 3f4x h VAL 223 Cb 0.20 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3f4x h VAL 223 CO 0.01 0.39 0.54 -0.07 0.02 0.00 0.00 177.57 178.46 3f4x h LEU 224 N 0.61 0.78 -0.68 2.57 3.38 -1.03 -1.80 115.31 119.14 3f4x h LEU 224 Ca 0.10 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 3f4x h LEU 224 Cb 0.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3f4x h LEU 224 CO 0.04 0.50 -0.63 0.11 0.09 0.00 0.00 178.44 178.55 3f4x h LYS 225 N 0.88 0.12 -0.58 1.13 1.57 -1.21 -2.61 116.57 115.87 3f4x h LYS 225 Ca 0.36 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 3f4x h LYS 225 Cb 0.26 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 3f4x h LYS 225 CO -0.13 0.71 0.26 0.74 -0.57 0.00 0.00 179.45 180.46 3f4x h PHE 226 N 0.09 0.47 0.00 -1.35 -1.00 -1.17 -2.37 116.94 111.60 3f4x h PHE 226 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3f4x h PHE 226 Cb 1.13 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.56 3f4x h PHE 226 CO 0.01 0.18 0.00 0.54 -1.61 0.00 0.00 178.31 177.43 3f4x n ARG 227 N -4.93 0.03 0.02 1.51 1.74 -0.78 -2.36 116.66 111.88 3f4x n ARG 227 Ca 0.07 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.53 3f4x n ARG 227 Cb 0.21 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.39 3f4x n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3f4x n LYS 228 N -1.47 0.09 -0.94 5.56 5.02 -0.89 -4.43 118.16 121.10 3f4x n LYS 228 Ca 0.04 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 3f4x n LYS 228 Cb 0.15 -1.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.74 3f4x n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f4x s LEU 229 N -3.36 2.94 -0.05 -0.35 1.02 -0.99 -4.84 118.68 113.05 3f4x s LEU 229 Ca 0.10 2.08 0.05 0.00 0.02 0.00 0.00 54.13 56.38 3f4x s LEU 229 Cb 0.16 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.80 3f4x s LEU 229 CO 0.70 -2.70 -0.18 0.20 0.02 0.00 0.00 176.35 174.39 3f4x s ASN 230 N -2.86 3.68 0.22 2.29 0.02 0.54 0.37 114.94 119.20 3f4x s ASN 230 Ca 0.65 -0.30 0.03 0.00 -1.02 0.00 0.00 52.86 52.22 3f4x s ASN 230 Cb -0.21 -0.74 0.18 0.00 0.02 0.00 0.00 41.25 40.50 3f4x s ASN 230 CO 0.56 0.32 1.51 -0.26 0.02 0.00 0.00 177.10 179.26 3f4x h PHE 231 N 5.50 0.37 -4.46 2.20 0.05 -1.33 -3.38 116.94 115.89 3f4x h PHE 231 Ca -0.43 -0.15 -0.49 0.00 3.82 0.00 0.00 57.97 60.72 3f4x h PHE 231 Cb 1.15 -0.06 0.09 0.00 2.00 0.00 0.00 35.95 39.13 3f4x h PHE 231 CO 0.46 0.85 0.40 0.54 -0.18 0.00 0.00 178.31 180.38 3f4x s ASN 232 N -6.91 5.06 0.60 2.17 4.22 -1.26 -4.44 114.94 114.39 3f4x s ASN 232 Ca -0.04 1.10 -0.05 0.00 -2.14 0.00 0.00 52.86 51.73 3f4x s ASN 232 Cb 0.11 -1.83 0.02 0.00 1.28 0.00 0.00 41.25 40.83 3f4x s ASN 232 CO 0.81 -1.58 0.90 -0.83 -2.04 0.00 0.00 177.10 174.36 3f4x s GLY 233 N -4.30 1.64 0.29 0.45 0.00 -1.26 -0.95 107.32 103.19 3f4x s GLY 233 Ca 0.59 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 3f4x s GLY 233 CO 0.52 -0.54 1.42 -2.21 0.00 0.00 0.00 173.10 172.29 3f4x n GLU 234 N -2.61 2.24 -0.79 2.90 2.13 -1.26 -2.15 120.64 121.10 3f4x n GLU 234 Ca 0.05 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3f4x n GLU 234 Cb 0.59 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.84 3f4x n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f4x n GLY 235 N 1.66 0.77 3.82 8.31 0.00 -1.26 -5.05 105.19 113.44 3f4x n GLY 235 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3f4x n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f4x s GLU 236 N -0.21 2.84 0.38 1.61 2.02 -0.91 -5.08 118.70 119.35 3f4x s GLU 236 Ca 0.00 -1.14 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 3f4x s GLU 236 Cb 0.00 -2.52 -0.11 0.00 0.10 0.00 0.00 34.13 31.60 3f4x s GLU 236 CO 0.00 0.32 1.41 -2.30 0.02 0.00 0.00 175.26 174.71 3f4x n PRO 237 N -1.21 2.42 -2.23 0.39 -0.02 -1.26 -4.89 135.00 128.20 3f4x n PRO 237 Ca -0.06 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3f4x n PRO 237 Cb 0.58 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3f4x n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3f4x s GLU 238 N -2.10 4.29 -0.29 -0.52 2.12 -1.26 -4.78 118.70 116.15 3f4x s GLU 238 Ca 0.55 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3f4x s GLU 238 Cb -0.50 -3.55 0.09 0.00 0.26 0.00 0.00 34.13 30.43 3f4x s GLU 238 CO 0.62 -0.56 0.05 -2.00 -0.54 0.00 0.00 175.26 172.83 3f4x s GLU 239 N 2.28 1.08 0.25 4.30 2.12 -1.26 -5.07 118.70 122.40 3f4x s GLU 239 Ca 0.64 -1.19 -0.31 0.00 0.36 0.00 0.00 54.97 54.47 3f4x s GLU 239 Cb -0.32 -2.41 -0.11 0.00 0.26 0.00 0.00 34.13 31.55 3f4x s GLU 239 CO 0.27 -0.87 1.60 -0.51 -0.54 0.00 0.00 175.26 175.22 3f4x s LEU 240 N 1.42 4.36 -1.03 2.70 1.43 -1.26 -1.03 118.68 125.27 3f4x s LEU 240 Ca 0.06 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.78 3f4x s LEU 240 Cb -0.18 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3f4x s LEU 240 CO -0.16 -0.89 1.67 -0.32 0.23 0.00 0.00 176.35 176.88 3f4x s MET 241 N 0.16 3.25 0.07 1.70 -2.45 0.16 -4.60 119.30 117.60 3f4x s MET 241 Ca 0.67 -0.97 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 3f4x s MET 241 Cb -0.47 -5.28 -0.04 0.00 1.25 0.00 0.00 34.83 30.29 3f4x s MET 241 CO 0.41 -2.69 -0.04 0.14 1.05 0.00 0.00 175.02 173.89 3f4x s VAL 242 N 6.85 0.41 -1.41 10.11 -7.23 -1.26 -4.42 120.40 123.45 3f4x s VAL 242 Ca 0.56 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 3f4x s VAL 242 Cb -0.02 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.35 3f4x s VAL 242 CO -0.04 -0.93 0.89 0.47 -0.31 0.00 0.00 175.10 175.19 3f4x n ASP 243 N 0.04 -3.33 -2.38 4.85 10.43 0.33 -4.86 116.55 121.62 3f4x n ASP 243 Ca -0.13 -0.76 -0.28 0.00 2.57 0.00 0.00 54.79 56.19 3f4x n ASP 243 Cb 0.61 -4.14 0.01 0.00 1.84 0.00 0.00 41.12 39.44 3f4x n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3f4x n ASN 244 N -2.96 6.87 -4.42 -2.24 6.94 -0.96 -4.92 115.26 113.58 3f4x n ASN 244 Ca -0.12 -3.38 -0.31 0.00 -0.02 0.00 0.00 54.58 50.75 3f4x n ASN 244 Cb 0.60 -1.11 -0.14 0.00 -2.36 0.00 0.00 39.78 36.77 3f4x n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3f4x s TRP 245 N -2.52 2.53 0.05 -2.53 1.48 -1.26 -4.60 118.94 112.09 3f4x s TRP 245 Ca 0.51 -0.28 -0.22 0.00 -1.06 0.00 0.00 56.10 55.05 3f4x s TRP 245 Cb 0.38 -1.51 -0.06 0.00 -1.16 0.00 0.00 33.47 31.12 3f4x s TRP 245 CO -0.16 0.16 0.66 0.50 -4.06 0.00 0.00 176.95 174.05 3f4x s ARG 246 N -1.06 4.37 0.92 3.25 3.52 -1.26 -4.96 118.95 123.73 3f4x s ARG 246 Ca 0.13 0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 56.48 3f4x s ARG 246 Cb -0.10 -3.31 0.14 0.00 -1.56 0.00 0.00 34.95 30.12 3f4x s ARG 246 CO 0.02 0.44 1.13 -1.25 -0.81 0.00 0.00 175.30 174.84 3f4x s PRO 247 N -0.53 1.09 0.36 5.12 0.04 -1.26 -4.56 135.00 135.27 3f4x s PRO 247 Ca 0.33 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 3f4x s PRO 247 Cb -0.20 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3f4x s PRO 247 CO 0.20 -2.24 1.50 0.00 0.04 0.00 0.00 177.00 176.50 3f4x s ALA 248 N -3.23 3.60 0.27 8.56 0.00 -1.26 -4.38 121.76 125.32 3f4x s ALA 248 Ca 0.64 1.57 0.09 0.00 0.00 0.00 0.00 51.96 54.26 3f4x s ALA 248 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3f4x s ALA 248 CO 0.54 -1.04 0.04 -0.65 0.00 0.00 0.00 175.76 174.65 3f4x s GLN 249 N -1.88 2.40 0.14 0.00 -1.52 0.44 -4.92 119.66 114.33 3f4x s GLN 249 Ca 0.54 -1.37 -0.35 0.00 -1.95 0.00 0.00 55.36 52.23 3f4x s GLN 249 Cb -0.47 -2.23 -0.14 0.00 -0.22 0.00 0.00 33.01 29.95 3f4x s GLN 249 CO 0.61 0.34 1.53 -2.30 -0.25 0.00 0.00 175.29 175.22 3f4x n PRO 250 N -0.97 1.93 -0.09 2.91 -0.02 -1.26 -4.51 135.00 133.00 3f4x n PRO 250 Ca -0.06 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 3f4x n PRO 250 Cb 0.59 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.75 3f4x n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3f4x h LEU 251 N 5.67 0.75 -1.63 2.45 5.85 -1.95 -3.44 115.31 123.01 3f4x h LEU 251 Ca -0.46 -0.24 -0.37 0.00 0.84 0.00 0.00 57.88 57.65 3f4x h LEU 251 Cb 1.27 -0.21 0.12 0.00 0.37 0.00 0.00 40.66 42.21 3f4x h LEU 251 CO 0.86 0.92 -0.79 0.29 -0.34 0.00 0.00 178.44 179.39 3f4x n LYS 252 N -4.14 -5.99 -3.97 1.25 5.02 -1.26 -2.45 118.16 106.61 3f4x n LYS 252 Ca 0.01 0.75 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 3f4x n LYS 252 Cb 0.39 -5.58 -0.07 0.00 -0.02 0.00 0.00 35.03 29.74 3f4x n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3f4x n ASN 253 N -3.08 -0.07 -4.82 4.39 0.23 -1.26 -4.97 115.26 105.68 3f4x n ASN 253 Ca -0.27 -1.03 -0.31 0.00 -0.53 0.00 0.00 54.58 52.45 3f4x n ASN 253 Cb 0.66 -1.29 0.05 0.00 -2.08 0.00 0.00 39.78 37.12 3f4x n ASN 253 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3f4x s ARG 254 N -6.37 2.91 -0.15 -3.83 0.52 -1.03 -5.08 118.95 105.93 3f4x s ARG 254 Ca 0.25 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.36 3f4x s ARG 254 Cb -0.15 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 3f4x s ARG 254 CO 0.82 -1.11 -0.04 -1.14 0.02 0.00 0.00 175.30 173.86 3f4x s GLN 255 N -5.06 3.64 -0.22 3.54 0.74 -1.26 -5.04 119.66 116.00 3f4x s GLN 255 Ca 0.58 -0.51 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 3f4x s GLN 255 Cb -0.14 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 3f4x s GLN 255 CO 0.55 0.27 0.42 0.42 -0.55 0.00 0.00 175.29 176.39 3f4x s ILE 256 N 0.29 5.17 -0.02 -2.34 1.01 -1.26 -4.62 121.20 119.44 3f4x s ILE 256 Ca -0.03 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.33 3f4x s ILE 256 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3f4x s ILE 256 CO 0.03 0.21 0.11 -0.54 0.00 0.00 0.00 174.94 174.75 3f4x s LYS 257 N 1.56 3.18 -0.08 2.79 -0.14 -0.21 -2.35 119.74 124.49 3f4x s LYS 257 Ca 0.19 -0.41 -0.03 0.00 -1.36 0.00 0.00 55.97 54.36 3f4x s LYS 257 Cb -0.15 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 33.02 3f4x s LYS 257 CO 0.08 0.67 0.05 0.00 -0.76 0.00 0.00 175.35 175.39 3f4x s ALA 258 N -1.20 3.47 -1.63 5.17 0.00 0.38 -0.55 121.76 127.40 3f4x s ALA 258 Ca 0.23 -0.78 0.30 0.00 0.00 0.00 0.00 51.96 51.70 3f4x s ALA 258 Cb -0.12 -1.60 1.50 0.00 0.00 0.00 0.00 23.12 22.89 3f4x s ALA 258 CO 0.14 0.62 2.02 -1.13 0.00 0.00 0.00 175.76 177.41 3f4x n SER 259 N 1.91 0.18 0.00 0.00 3.41 -0.45 -1.20 113.62 117.47 3f4x n SER 259 Ca -0.18 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 3f4x n SER 259 Cb 0.54 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3f4x n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10