#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if4 s HIS 4 N 0.00 -0.01 0.84 1.57 5.04 -1.26 -5.17 115.29 116.30 1if4 s HIS 4 Ca 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 55.06 53.42 1if4 s HIS 4 Cb 0.00 0.50 0.10 0.00 0.04 0.00 0.00 32.58 33.22 1if4 s HIS 4 CO 0.00 -0.02 1.10 1.67 -2.34 0.00 0.00 174.74 175.15 1if4 s TRP 5 N -2.03 2.30 0.00 3.88 1.48 -1.26 -4.93 118.94 118.38 1if4 s TRP 5 Ca 0.12 1.51 0.00 0.00 -1.06 0.00 0.00 56.10 56.67 1if4 s TRP 5 Cb 0.01 -3.13 0.00 0.00 -1.16 0.00 0.00 33.47 29.19 1if4 s TRP 5 CO -0.03 -2.20 0.00 0.41 -4.06 0.00 0.00 176.95 171.07 1if4 n GLY 6 N -0.87 2.48 0.04 3.67 0.00 -0.64 -5.05 105.19 104.83 1if4 n GLY 6 Ca 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1if4 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1if4 n TYR 7 N 0.00 0.00 -2.01 1.61 4.01 -1.26 -4.00 117.16 115.52 1if4 n TYR 7 Ca 0.00 -0.38 -0.29 0.00 -0.16 0.00 0.00 57.90 57.07 1if4 n TYR 7 Cb 0.00 -0.05 0.17 0.00 -0.31 0.00 0.00 39.34 39.15 1if4 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1if4 s GLY 8 N -0.93 1.77 0.23 2.72 0.00 -1.26 -4.66 107.32 105.19 1if4 s GLY 8 Ca 0.04 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 1if4 s GLY 8 CO 0.00 -0.50 1.82 1.70 0.00 0.00 0.00 173.10 176.12 1if4 h LYS 9 N -1.48 0.76 -0.00 2.90 3.11 -1.98 0.91 116.57 120.79 1if4 h LYS 9 Ca -0.44 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 1if4 h LYS 9 Cb 1.24 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1if4 h LYS 9 CO 0.40 0.50 -0.41 0.72 -2.81 0.00 0.00 179.45 177.85 1if4 n HIS 10 N -4.74 0.00 -1.93 1.91 8.25 -1.26 -4.23 115.22 113.22 1if4 n HIS 10 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1if4 n HIS 10 Cb 0.21 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1if4 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1if4 n ASN 11 N -1.44 0.00 -3.09 0.41 6.94 -1.15 -4.98 115.26 111.95 1if4 n ASN 11 Ca 0.06 -1.82 -0.17 0.00 -0.02 0.00 0.00 54.58 52.64 1if4 n ASN 11 Cb 0.34 -0.16 0.14 0.00 -2.36 0.00 0.00 39.78 37.73 1if4 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1if4 n GLY 12 N 0.00 -2.44 0.39 4.83 0.00 0.30 -1.62 105.19 106.65 1if4 n GLY 12 Ca 0.00 -1.51 0.21 0.00 0.00 0.00 0.00 46.02 44.72 1if4 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1if4 h PRO 13 N 0.00 0.45 0.00 1.61 0.11 -1.85 -1.13 132.00 131.19 1if4 h PRO 13 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1if4 h PRO 13 Cb 0.69 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1if4 h PRO 13 CO 0.15 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.39 1if4 n GLU 14 N -4.67 0.20 -0.00 1.05 0.00 -1.26 -2.52 120.64 113.45 1if4 n GLU 14 Ca 0.25 0.15 0.03 0.00 0.00 0.00 0.00 57.16 57.58 1if4 n GLU 14 Cb 0.81 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.72 1if4 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1if4 n HIS 15 N -1.24 0.00 0.05 -1.84 8.25 -0.43 -4.73 115.22 115.28 1if4 n HIS 15 Ca 0.06 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.70 1if4 n HIS 15 Cb 0.09 -0.05 0.69 0.00 1.12 0.00 0.00 29.99 31.84 1if4 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1if4 h TRP 16 N 0.00 0.00 0.00 4.41 6.55 -1.47 -1.51 115.95 123.93 1if4 h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1if4 h TRP 16 Cb 0.17 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.47 1if4 h TRP 16 CO 0.00 0.00 -0.04 1.12 -1.05 0.00 0.00 178.44 178.47 1if4 h HIS 17 N 0.00 0.00 -0.44 0.49 2.07 -1.79 0.23 115.15 115.71 1if4 h HIS 17 Ca 0.20 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.69 1if4 h HIS 17 Cb 0.84 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.80 1if4 h HIS 17 CO 0.00 0.04 0.11 0.87 -3.07 0.00 0.00 177.93 175.88 1if4 h LYS 18 N 0.00 0.66 0.00 5.12 1.57 -1.63 -3.17 116.57 119.11 1if4 h LYS 18 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1if4 h LYS 18 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1if4 h LYS 18 CO 0.01 0.60 -1.11 -0.25 -0.57 0.00 0.00 179.45 178.13 1if4 n ASP 19 N -4.31 1.74 -3.79 0.86 8.00 -0.97 -4.77 116.55 113.31 1if4 n ASP 19 Ca 0.03 -0.29 -0.28 0.00 0.71 0.00 0.00 54.79 54.96 1if4 n ASP 19 Cb 0.20 1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 42.48 1if4 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1if4 s PHE 20 N -2.46 2.84 0.58 1.24 0.08 0.03 -4.97 117.98 115.33 1if4 s PHE 20 Ca -0.01 -3.01 0.30 0.00 0.12 0.00 0.00 56.93 54.33 1if4 s PHE 20 Cb 0.07 -2.27 1.44 0.00 -0.57 0.00 0.00 43.02 41.69 1if4 s PHE 20 CO 0.44 -0.65 1.85 -1.35 -0.10 0.00 0.00 175.22 175.40 1if4 h PRO 21 N 5.76 0.00 0.00 0.24 0.11 -1.79 -1.51 132.00 134.80 1if4 h PRO 21 Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1if4 h PRO 21 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1if4 h PRO 21 CO 0.62 0.00 -0.00 0.97 -0.21 0.00 0.00 178.00 179.38 1if4 h ILE 22 N 0.00 0.01 -0.83 4.15 6.09 -1.90 -2.88 117.51 122.14 1if4 h ILE 22 Ca 0.30 -0.03 0.24 0.00 -1.37 0.00 0.00 64.86 64.01 1if4 h ILE 22 Cb 1.49 1.03 -0.03 0.00 0.47 0.00 0.00 36.82 39.77 1if4 h ILE 22 CO -0.00 0.00 0.60 0.00 -3.07 0.00 0.00 178.15 175.68 1if4 h ALA 23 N 2.00 2.78 -0.64 0.18 0.00 -1.60 0.36 119.26 122.35 1if4 h ALA 23 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1if4 h ALA 23 Cb 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1if4 h ALA 23 CO 0.00 -1.03 0.15 1.63 0.00 0.00 0.00 179.25 180.00 1if4 n LYS 24 N -4.27 4.01 -0.42 0.00 5.02 -1.09 -4.99 118.16 116.42 1if4 n LYS 24 Ca 0.17 -3.11 -0.11 0.00 -2.02 0.00 0.00 58.31 53.24 1if4 n LYS 24 Cb 0.90 -2.20 0.09 0.00 -0.02 0.00 0.00 35.03 33.81 1if4 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1if4 n GLY 25 N 0.04 -2.42 0.10 0.72 0.00 0.13 -5.02 105.19 98.73 1if4 n GLY 25 Ca 0.35 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.93 1if4 n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1if4 n GLU 26 N -2.65 0.62 -3.13 1.61 4.07 -1.26 -4.54 120.64 115.35 1if4 n GLU 26 Ca 0.06 0.17 -0.24 0.00 -0.06 0.00 0.00 57.16 57.09 1if4 n GLU 26 Cb 0.22 -1.80 -0.05 0.00 -0.06 0.00 0.00 31.44 29.75 1if4 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1if4 n ARG 27 N -2.79 2.02 -3.42 5.31 1.85 -1.26 -4.71 116.66 113.66 1if4 n ARG 27 Ca -0.06 -4.11 -0.27 0.00 -1.00 0.00 0.00 57.85 52.40 1if4 n ARG 27 Cb 0.72 -1.92 -0.03 0.00 -1.05 0.00 0.00 32.46 30.19 1if4 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1if4 s GLN 28 N -2.65 3.58 0.18 2.89 -1.52 -1.26 -2.95 119.66 117.93 1if4 s GLN 28 Ca 0.43 -0.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.77 1if4 s GLN 28 Cb 0.27 -2.69 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 1if4 s GLN 28 CO -0.10 0.24 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.93 1if4 s SER 29 N -3.33 2.39 0.76 5.90 0.01 -1.26 -4.65 113.70 113.52 1if4 s SER 29 Ca 0.42 -0.99 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1if4 s SER 29 Cb -0.11 -0.11 0.13 0.00 0.21 0.00 0.00 66.02 66.14 1if4 s SER 29 CO 0.31 -0.18 1.05 -2.16 0.41 0.00 0.00 173.24 172.67 1if4 s PRO 30 N -3.50 1.60 0.20 12.44 0.04 -1.26 -4.57 135.00 139.95 1if4 s PRO 30 Ca 0.20 -0.81 0.03 0.00 0.04 0.00 0.00 61.00 60.45 1if4 s PRO 30 Cb -0.01 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1if4 s PRO 30 CO 0.05 -1.57 -0.01 0.14 0.04 0.00 0.00 177.00 175.66 1if4 s VAL 31 N -3.29 0.88 -0.09 -0.36 -7.23 -1.26 0.60 120.40 109.65 1if4 s VAL 31 Ca 0.66 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.60 1if4 s VAL 31 Cb -0.06 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1if4 s VAL 31 CO 0.46 -0.41 0.67 -0.62 -0.31 0.00 0.00 175.10 174.89 1if4 s ASP 32 N -3.24 6.91 -0.62 4.85 2.15 -1.26 -3.60 116.67 121.86 1if4 s ASP 32 Ca 0.26 1.10 -0.23 0.00 0.43 0.00 0.00 52.55 54.10 1if4 s ASP 32 Cb 0.06 -2.39 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 1if4 s ASP 32 CO 0.06 -0.13 0.96 -0.63 -0.17 0.00 0.00 175.17 175.27 1if4 s ILE 33 N 0.96 4.33 -0.72 4.11 -1.09 0.08 -4.94 121.20 123.94 1if4 s ILE 33 Ca 0.35 -0.10 -0.26 0.00 -2.23 0.00 0.00 60.65 58.41 1if4 s ILE 33 Cb -0.17 -4.64 0.04 0.00 -1.58 0.00 0.00 42.46 36.11 1if4 s ILE 33 CO 0.16 -1.34 1.19 -0.62 -1.23 0.00 0.00 174.94 173.10 1if4 s ASP 34 N 3.36 6.16 0.55 3.58 2.15 -1.26 -0.72 116.67 130.50 1if4 s ASP 34 Ca 0.25 -0.60 0.28 0.00 0.43 0.00 0.00 52.55 52.91 1if4 s ASP 34 Cb -0.15 -2.52 1.46 0.00 -0.30 0.00 0.00 42.92 41.41 1if4 s ASP 34 CO 0.14 -1.73 1.96 0.71 -0.17 0.00 0.00 175.17 176.08 1if4 h THR 35 N 6.02 0.57 -0.00 1.71 1.35 -1.95 -1.59 112.91 119.01 1if4 h THR 35 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1if4 h THR 35 Cb 1.06 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1if4 h THR 35 CO 1.25 0.00 -0.16 1.41 -0.25 0.00 0.00 175.52 177.77 1if4 n HIS 36 N -4.11 0.00 0.34 4.73 8.25 -1.26 -3.93 115.22 119.24 1if4 n HIS 36 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 1if4 n HIS 36 Cb 0.65 -0.39 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 1if4 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1if4 n THR 37 N -1.45 0.00 -2.45 1.59 -1.04 -0.61 -4.99 114.28 105.33 1if4 n THR 37 Ca 0.07 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 1if4 n THR 37 Cb 0.33 1.08 -0.03 0.00 -1.82 0.00 0.00 70.33 69.89 1if4 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1if4 s ALA 38 N -1.19 3.39 -0.23 2.41 0.00 -1.12 -4.82 121.76 120.20 1if4 s ALA 38 Ca 0.06 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1if4 s ALA 38 Cb 0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1if4 s ALA 38 CO 0.20 -0.33 0.65 0.21 0.00 0.00 0.00 175.76 176.48 1if4 s LYS 39 N 0.24 4.17 0.05 0.00 2.20 -0.52 -4.78 119.74 121.10 1if4 s LYS 39 Ca 0.54 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 1if4 s LYS 39 Cb -0.30 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 1if4 s LYS 39 CO 0.33 -0.34 1.74 -0.47 -0.36 0.00 0.00 175.35 176.26 1if4 s TYR 40 N 2.24 2.08 -0.43 4.03 5.04 -1.26 -1.37 117.35 127.68 1if4 s TYR 40 Ca 0.28 0.09 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 1if4 s TYR 40 Cb -0.16 -4.05 0.12 0.00 0.35 0.00 0.00 41.96 38.22 1if4 s TYR 40 CO 0.09 -4.36 0.16 0.34 -1.34 0.00 0.00 175.55 170.45 1if4 s ASP 41 N 3.01 4.57 0.48 4.32 -1.08 -0.64 -4.89 116.67 122.43 1if4 s ASP 41 Ca 0.78 -2.59 0.31 0.00 -0.52 0.00 0.00 52.55 50.53 1if4 s ASP 41 Cb -0.40 -1.64 1.71 0.00 -1.46 0.00 0.00 42.92 41.12 1if4 s ASP 41 CO 0.34 -0.31 1.96 1.55 0.52 0.00 0.00 175.17 179.23 1if4 h PRO 42 N 7.06 0.00 -0.00 4.34 0.13 -1.92 -1.18 132.00 140.43 1if4 h PRO 42 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1if4 h PRO 42 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1if4 h PRO 42 CO 0.61 0.00 -0.18 -1.13 -0.23 0.00 0.00 178.00 177.07 1if4 n SER 43 N -2.62 0.63 -4.74 1.44 3.41 -1.26 -4.84 113.62 105.64 1if4 n SER 43 Ca -0.02 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.58 1if4 n SER 43 Cb 0.07 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1if4 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if4 s LEU 44 N -2.54 4.47 0.50 1.04 1.43 -0.45 -5.03 118.68 118.11 1if4 s LEU 44 Ca 0.26 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1if4 s LEU 44 Cb 0.20 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1if4 s LEU 44 CO 0.51 -0.33 0.72 -0.54 0.23 0.00 0.00 176.35 176.94 1if4 s LYS 45 N -0.63 2.77 0.53 1.70 3.01 -1.23 -5.01 119.74 120.88 1if4 s LYS 45 Ca 0.51 -0.69 -0.19 0.00 -1.01 0.00 0.00 55.97 54.58 1if4 s LYS 45 Cb -0.33 -2.53 -0.07 0.00 -1.01 0.00 0.00 37.83 33.89 1if4 s LYS 45 CO 0.39 -0.51 1.08 -1.25 0.51 0.00 0.00 175.35 175.57 1if4 s PRO 46 N -4.65 3.52 0.58 -1.68 0.04 -1.26 -3.17 135.00 128.38 1if4 s PRO 46 Ca 0.53 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1if4 s PRO 46 Cb -0.10 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1if4 s PRO 46 CO 0.38 -0.68 1.13 -0.51 0.04 0.00 0.00 177.00 177.36 1if4 s LEU 47 N -3.76 3.63 -0.35 -3.56 1.43 -1.26 -1.97 118.68 112.85 1if4 s LEU 47 Ca 0.69 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 1if4 s LEU 47 Cb -0.20 -4.57 0.11 0.00 0.03 0.00 0.00 46.19 41.55 1if4 s LEU 47 CO 0.25 -1.37 0.10 -0.55 0.23 0.00 0.00 176.35 175.02 1if4 s SER 48 N -2.01 4.29 -0.43 2.29 0.15 0.06 -4.86 113.70 113.19 1if4 s SER 48 Ca 0.71 -2.02 -0.15 0.00 0.70 0.00 0.00 55.95 55.19 1if4 s SER 48 Cb -0.23 -1.22 0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1if4 s SER 48 CO 0.32 -0.38 0.33 -0.69 1.20 0.00 0.00 173.24 174.02 1if4 s VAL 49 N 1.10 5.21 -0.53 4.45 1.01 -1.26 -1.73 120.40 128.66 1if4 s VAL 49 Ca 0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1if4 s VAL 49 Cb -0.19 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.35 1if4 s VAL 49 CO -0.15 -0.40 0.31 -0.44 0.00 0.00 0.00 175.10 174.42 1if4 s SER 50 N 1.99 4.92 -0.17 3.32 0.01 -0.46 -4.92 113.70 118.39 1if4 s SER 50 Ca 0.05 -2.70 0.17 0.00 1.31 0.00 0.00 55.95 54.78 1if4 s SER 50 Cb -0.21 -1.76 0.49 0.00 0.21 0.00 0.00 66.02 64.75 1if4 s SER 50 CO 0.09 -0.36 1.37 -1.22 0.41 0.00 0.00 173.24 173.53 1if4 n TYR 51 N 3.63 0.78 0.20 2.43 4.01 -1.26 -1.06 117.16 125.88 1if4 n TYR 51 Ca 0.05 -0.90 0.06 0.00 -0.16 0.00 0.00 57.90 56.96 1if4 n TYR 51 Cb 0.37 -0.28 0.40 0.00 -0.31 0.00 0.00 39.34 39.52 1if4 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1if4 h ASP 52 N 1.49 0.00 -0.54 7.72 2.03 -1.91 -3.07 116.42 122.14 1if4 h ASP 52 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1if4 h ASP 52 Cb 1.36 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.75 1if4 h ASP 52 CO 0.18 0.33 0.15 0.00 -1.03 0.00 0.00 179.24 178.88 1if4 n GLN 53 N -3.63 2.86 -1.88 4.15 1.13 -1.23 -5.02 117.38 113.75 1if4 n GLN 53 Ca -0.01 -3.05 -0.42 0.00 -1.94 0.00 0.00 57.00 51.59 1if4 n GLN 53 Cb 0.45 -2.01 -0.02 0.00 0.11 0.00 0.00 30.24 28.76 1if4 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1if4 s ALA 54 N -3.06 3.72 -0.29 -1.58 0.00 -1.16 -4.71 121.76 114.69 1if4 s ALA 54 Ca 0.49 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1if4 s ALA 54 Cb 0.41 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1if4 s ALA 54 CO 0.08 -0.86 -0.03 0.99 0.00 0.00 0.00 175.76 175.94 1if4 s THR 55 N 0.26 2.07 0.30 0.00 2.01 -1.26 -4.84 115.64 114.18 1if4 s THR 55 Ca 0.64 -1.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.61 1if4 s THR 55 Cb -0.45 -2.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 1if4 s THR 55 CO 0.42 -0.29 0.76 -0.94 -0.69 0.00 0.00 174.62 173.89 1if4 s SER 56 N 1.08 6.91 -0.03 3.53 1.04 -1.26 -1.01 113.70 123.97 1if4 s SER 56 Ca 0.00 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 1if4 s SER 56 Cb -0.19 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1if4 s SER 56 CO -0.07 -0.14 -0.07 0.18 0.98 0.00 0.00 173.24 174.11 1if4 n LEU 57 N -0.00 0.66 -3.88 2.42 4.77 -0.08 -4.19 117.00 116.69 1if4 n LEU 57 Ca 0.02 0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 1if4 n LEU 57 Cb 0.52 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1if4 n LEU 57 CO 0.42 -0.10 0.42 0.00 -1.33 0.00 0.00 177.39 176.80 1if4 s ARG 58 N -2.13 1.80 -0.02 3.23 1.70 -1.24 -1.14 118.95 121.15 1if4 s ARG 58 Ca -0.08 -1.10 0.04 0.00 -0.47 0.00 0.00 55.73 54.13 1if4 s ARG 58 Cb 0.02 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.99 1if4 s ARG 58 CO 0.10 -0.82 -0.14 -1.50 -1.08 0.00 0.00 175.30 171.86 1if4 s ILE 59 N -3.74 1.17 0.05 4.99 2.07 -0.42 -0.66 121.20 124.66 1if4 s ILE 59 Ca 0.14 -0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 58.73 1if4 s ILE 59 Cb -0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 1if4 s ILE 59 CO 0.08 0.34 0.08 -1.48 -1.91 0.00 0.00 174.94 172.05 1if4 s LEU 60 N -0.11 1.88 -0.25 8.50 2.34 -0.71 -1.01 118.68 129.32 1if4 s LEU 60 Ca 0.01 -0.64 -0.08 0.00 0.06 0.00 0.00 54.13 53.48 1if4 s LEU 60 Cb -0.08 0.58 -0.03 0.00 -0.56 0.00 0.00 46.19 46.10 1if4 s LEU 60 CO 0.00 -0.56 0.09 0.21 -1.06 0.00 0.00 176.35 175.04 1if4 s ASN 61 N -2.37 5.30 -0.18 1.48 3.84 -0.36 -1.46 114.94 121.19 1if4 s ASN 61 Ca -0.01 -0.16 0.16 0.00 0.21 0.00 0.00 52.86 53.06 1if4 s ASN 61 Cb 0.01 -1.96 0.56 0.00 -0.55 0.00 0.00 41.25 39.32 1if4 s ASN 61 CO -0.07 -0.02 1.46 -0.46 -2.79 0.00 0.00 177.10 175.22 1if4 n ASN 62 N 4.85 4.10 0.00 -4.21 0.23 -0.79 -0.79 115.26 118.65 1if4 n ASN 62 Ca -0.16 -2.96 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 1if4 n ASN 62 Cb 0.52 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1if4 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1if4 n GLY 63 N -0.30 2.72 0.01 4.83 0.00 -1.26 -4.69 105.19 106.49 1if4 n GLY 63 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1if4 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1if4 n HIS 64 N -2.00 0.00 -3.48 1.61 8.25 -1.26 -4.76 115.22 113.57 1if4 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1if4 n HIS 64 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1if4 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1if4 n ALA 65 N -2.28 0.00 -2.91 -1.41 0.00 -1.26 -4.87 120.51 107.78 1if4 n ALA 65 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1if4 n ALA 65 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 1if4 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1if4 s PHE 66 N -4.65 2.49 -0.06 0.00 -0.71 -1.26 -1.89 117.98 111.90 1if4 s PHE 66 Ca 0.00 -0.84 0.04 0.00 -1.04 0.00 0.00 56.93 55.09 1if4 s PHE 66 Cb 0.00 -1.64 -0.02 0.00 -1.21 0.00 0.00 43.02 40.14 1if4 s PHE 66 CO 0.00 -0.29 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.63 1if4 s ASN 67 N 0.02 3.87 -0.25 1.98 0.02 -0.54 -4.21 114.94 115.84 1if4 s ASN 67 Ca -0.09 -0.26 -0.09 0.00 -1.02 0.00 0.00 52.86 51.39 1if4 s ASN 67 Cb -0.15 -0.93 -0.04 0.00 0.02 0.00 0.00 41.25 40.14 1if4 s ASN 67 CO 0.06 0.31 0.13 -0.69 0.02 0.00 0.00 177.10 176.92 1if4 s VAL 68 N -0.50 4.96 0.04 1.60 1.01 -0.69 -1.74 120.40 125.09 1if4 s VAL 68 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1if4 s VAL 68 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1if4 s VAL 68 CO 0.01 0.33 0.20 -1.61 0.00 0.00 0.00 175.10 174.03 1if4 s GLU 69 N 1.34 3.42 0.21 2.72 2.02 0.16 -2.25 118.70 126.32 1if4 s GLU 69 Ca 0.06 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.73 1if4 s GLU 69 Cb -0.15 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 1if4 s GLU 69 CO 0.06 0.63 -0.17 -0.06 0.02 0.00 0.00 175.26 175.73 1if4 s PHE 70 N -1.46 1.90 -0.52 1.61 0.40 -0.79 -0.90 117.98 118.22 1if4 s PHE 70 Ca 0.33 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.90 1if4 s PHE 70 Cb -0.13 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.53 1if4 s PHE 70 CO 0.25 0.44 1.27 0.34 0.70 0.00 0.00 175.22 178.22 1if4 s ASP 71 N -3.12 6.40 -0.39 1.36 2.15 -0.18 -4.86 116.67 118.03 1if4 s ASP 71 Ca 0.22 0.37 0.06 0.00 0.43 0.00 0.00 52.55 53.63 1if4 s ASP 71 Cb -0.04 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.57 1if4 s ASP 71 CO 0.09 -1.47 1.64 -0.90 -0.17 0.00 0.00 175.17 174.36 1if4 n ASP 72 N 8.63 3.80 -0.11 -0.34 5.75 -1.26 -4.51 116.55 128.51 1if4 n ASP 72 Ca 0.12 -3.75 0.14 0.00 -0.01 0.00 0.00 54.79 51.29 1if4 n ASP 72 Cb 0.49 -0.71 0.58 0.00 -1.03 0.00 0.00 41.12 40.45 1if4 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1if4 n SER 73 N -1.06 0.48 -3.83 -1.12 3.41 -1.26 -4.87 113.62 105.37 1if4 n SER 73 Ca 0.46 -0.52 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 1if4 n SER 73 Cb 1.14 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.95 1if4 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1if4 s GLN 74 N -2.53 0.79 -0.40 4.33 -0.21 -1.26 -5.06 119.66 115.32 1if4 s GLN 74 Ca 0.27 -0.76 -0.04 0.00 0.02 0.00 0.00 55.36 54.85 1if4 s GLN 74 Cb 0.20 0.33 -0.09 0.00 1.00 0.00 0.00 33.01 34.44 1if4 s GLN 74 CO 0.49 -0.25 2.03 -0.25 -2.12 0.00 0.00 175.29 175.20 1if4 n ASP 75 N 0.31 3.50 0.05 5.90 8.00 -1.26 -4.46 116.55 128.59 1if4 n ASP 75 Ca -0.17 -2.13 -0.16 0.00 0.71 0.00 0.00 54.79 53.04 1if4 n ASP 75 Cb 0.61 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.70 1if4 n ASP 75 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1if4 h LYS 76 N 5.45 0.22 -3.78 -1.24 2.10 -1.88 -3.43 116.57 114.00 1if4 h LYS 76 Ca 0.26 -0.37 -0.55 0.00 -2.00 0.00 0.00 60.65 57.99 1if4 h LYS 76 Cb 0.46 0.14 -0.39 0.00 -0.90 0.00 0.00 32.23 31.54 1if4 h LYS 76 CO 0.86 1.06 -0.77 0.00 -2.00 0.00 0.00 179.45 178.61 1if4 s ALA 77 N -2.62 1.34 0.19 0.07 0.00 -1.26 -3.57 121.76 115.92 1if4 s ALA 77 Ca -0.09 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1if4 s ALA 77 Cb 0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1if4 s ALA 77 CO 0.85 -1.24 -0.12 0.14 0.00 0.00 0.00 175.76 175.39 1if4 s VAL 78 N 1.69 1.56 -0.08 0.00 -7.23 -0.23 -1.81 120.40 114.30 1if4 s VAL 78 Ca -0.01 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1if4 s VAL 78 Cb -0.18 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1if4 s VAL 78 CO -0.09 -0.61 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.68 1if4 s LEU 79 N -3.29 1.91 0.30 1.32 2.96 -0.28 -1.36 118.68 120.25 1if4 s LEU 79 Ca 0.22 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1if4 s LEU 79 Cb 0.01 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1if4 s LEU 79 CO 0.06 0.11 0.48 -1.59 -1.32 0.00 0.00 176.35 174.09 1if4 s LYS 80 N 0.45 1.76 2.47 1.98 -2.85 -0.70 -2.08 119.74 120.77 1if4 s LYS 80 Ca -0.17 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.28 1if4 s LYS 80 Cb -0.17 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1if4 s LYS 80 CO 0.07 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.19 1if4 n GLY 81 N -0.47 -0.90 7.00 0.59 0.00 -1.26 -0.76 105.19 109.38 1if4 n GLY 81 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1if4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1if4 n GLY 82 N 0.00 3.68 0.81 -0.02 0.00 -0.83 -1.56 105.19 107.28 1if4 n GLY 82 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1if4 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1if4 n PRO 83 N 14.00 2.04 -3.66 1.61 -0.04 -1.26 -3.47 135.00 144.22 1if4 n PRO 83 Ca 0.00 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.57 1if4 n PRO 83 Cb 0.00 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 1if4 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1if4 s LEU 84 N -1.24 4.23 -0.19 1.53 1.43 -0.60 -5.09 118.68 118.76 1if4 s LEU 84 Ca 0.33 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1if4 s LEU 84 Cb 0.18 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 43.17 1if4 s LEU 84 CO 0.24 -0.01 -0.10 -1.81 0.23 0.00 0.00 176.35 174.90 1if4 s ASP 85 N -2.80 3.20 0.00 2.29 1.01 -1.26 -4.44 116.67 114.67 1if4 s ASP 85 Ca 0.40 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1if4 s ASP 85 Cb -0.12 -1.18 0.00 0.00 1.01 0.00 0.00 42.92 42.64 1if4 s ASP 85 CO 0.27 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1if4 n GLY 86 N 4.73 -1.46 3.39 0.21 0.00 -1.26 -5.00 105.19 105.79 1if4 n GLY 86 Ca -0.15 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.39 1if4 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1if4 s THR 87 N -0.30 2.79 -0.16 2.61 2.01 -1.26 -4.60 115.64 116.72 1if4 s THR 87 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1if4 s THR 87 Cb 0.00 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 1if4 s THR 87 CO 0.00 0.57 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 1if4 s TYR 88 N -0.28 2.78 -0.12 4.92 1.51 -0.88 -0.98 117.35 124.30 1if4 s TYR 88 Ca 0.01 -1.09 -0.17 0.00 -1.01 0.00 0.00 57.07 54.82 1if4 s TYR 88 Cb -0.13 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1if4 s TYR 88 CO 0.03 -0.50 0.42 0.50 -1.11 0.00 0.00 175.55 174.88 1if4 s ARG 89 N 0.88 4.29 -0.06 -0.62 3.52 -0.28 -1.12 118.95 125.55 1if4 s ARG 89 Ca -0.04 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 1if4 s ARG 89 Cb -0.15 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1if4 s ARG 89 CO -0.01 0.22 1.54 -1.17 -0.81 0.00 0.00 175.30 175.07 1if4 s LEU 90 N 0.46 4.30 -0.19 -0.88 2.96 -0.75 -1.60 118.68 122.97 1if4 s LEU 90 Ca 0.23 2.13 0.05 0.00 -0.22 0.00 0.00 54.13 56.32 1if4 s LEU 90 Cb -0.15 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 1if4 s LEU 90 CO 0.09 -0.86 -0.12 0.00 -1.32 0.00 0.00 176.35 174.13 1if4 n ILE 91 N 5.28 1.14 -3.62 6.68 3.06 -0.29 -4.56 119.36 127.05 1if4 n ILE 91 Ca 0.16 -0.50 -0.02 0.00 -2.50 0.00 0.00 62.75 59.89 1if4 n ILE 91 Cb 0.43 -1.06 -0.01 0.00 0.54 0.00 0.00 39.64 39.54 1if4 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if4 s GLN 92 N -2.40 0.52 0.06 9.51 1.03 -1.21 -1.89 119.66 125.28 1if4 s GLN 92 Ca -0.23 -0.26 0.01 0.00 0.04 0.00 0.00 55.36 54.93 1if4 s GLN 92 Cb 0.06 0.19 -0.03 0.00 0.03 0.00 0.00 33.01 33.27 1if4 s GLN 92 CO 0.51 -0.24 -0.06 -0.59 -2.54 0.00 0.00 175.29 172.37 1if4 s PHE 93 N -2.60 0.65 0.29 9.60 -0.12 -0.95 -0.71 117.98 124.14 1if4 s PHE 93 Ca 0.12 -0.68 -0.13 0.00 -0.05 0.00 0.00 56.93 56.19 1if4 s PHE 93 Cb 0.02 -0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.02 1if4 s PHE 93 CO -0.04 -0.15 0.57 -3.38 -0.05 0.00 0.00 175.22 172.17 1if4 s HIS 94 N -2.30 0.35 0.26 3.49 -3.43 -0.82 -1.71 115.29 111.13 1if4 s HIS 94 Ca -0.03 -0.75 0.09 0.00 -0.80 0.00 0.00 55.06 53.56 1if4 s HIS 94 Cb -0.04 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 1if4 s HIS 94 CO -0.02 -1.15 -0.13 -0.06 -2.00 0.00 0.00 174.74 171.38 1if4 s PHE 95 N -3.58 1.99 -0.05 0.38 0.40 -1.26 -0.84 117.98 115.03 1if4 s PHE 95 Ca 0.21 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1if4 s PHE 95 Cb -0.02 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.52 1if4 s PHE 95 CO 0.11 0.44 -0.11 -1.01 0.70 0.00 0.00 175.22 175.36 1if4 s HIS 96 N -2.84 1.26 0.27 0.36 3.76 -0.57 -4.77 115.29 112.76 1if4 s HIS 96 Ca 0.27 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.72 1if4 s HIS 96 Cb 0.00 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 1if4 s HIS 96 CO 0.11 -0.21 0.37 1.67 -0.85 0.00 0.00 174.74 175.83 1if4 s TRP 97 N 0.55 0.87 0.51 1.40 -2.14 -1.20 -0.62 118.94 118.32 1if4 s TRP 97 Ca -0.11 -1.13 0.03 0.00 2.66 0.00 0.00 56.10 57.56 1if4 s TRP 97 Cb -0.14 -0.14 -0.00 0.00 -3.10 0.00 0.00 33.47 30.09 1if4 s TRP 97 CO 0.02 -0.94 0.16 0.20 -2.66 0.00 0.00 176.95 173.74 1if4 s GLY 98 N -3.14 2.72 0.06 3.67 0.00 -1.16 -1.36 107.32 108.10 1if4 s GLY 98 Ca 0.30 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.37 1if4 s GLY 98 CO 0.14 -2.08 1.50 -1.14 0.00 0.00 0.00 173.10 171.52 1if4 n SER 99 N -1.43 0.52 -4.06 1.64 3.41 -1.26 -4.42 113.62 108.02 1if4 n SER 99 Ca -0.11 0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 1if4 n SER 99 Cb 0.66 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 1if4 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if4 s LEU 100 N -3.60 2.30 0.57 1.04 1.43 -1.26 -5.05 118.68 114.11 1if4 s LEU 100 Ca 0.10 -0.62 0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1if4 s LEU 100 Cb 0.16 -0.06 1.57 0.00 0.03 0.00 0.00 46.19 47.89 1if4 s LEU 100 CO 0.67 -0.29 2.06 0.44 0.23 0.00 0.00 176.35 179.46 1if4 h ASP 101 N 4.25 0.00 -0.32 2.29 3.32 -1.92 -2.85 116.42 121.20 1if4 h ASP 101 Ca -0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1if4 h ASP 101 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1if4 h ASP 101 CO 0.45 0.00 0.05 0.61 -1.72 0.00 0.00 179.24 178.63 1if4 n GLY 102 N -1.46 2.39 3.55 2.75 0.00 -1.26 -3.12 105.19 108.03 1if4 n GLY 102 Ca 0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1if4 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1if4 s GLN 103 N -1.84 0.76 0.00 1.61 -2.07 -1.08 -4.74 119.66 112.30 1if4 s GLN 103 Ca 0.27 0.10 0.00 0.00 -1.82 0.00 0.00 55.36 53.92 1if4 s GLN 103 Cb 0.21 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 1if4 s GLN 103 CO 0.08 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1if4 n GLY 104 N 0.63 1.12 3.84 2.60 0.00 -1.05 -3.04 105.19 109.28 1if4 n GLY 104 Ca -0.12 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1if4 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if4 s SER 105 N 0.00 6.08 -0.23 1.61 1.04 -1.05 -3.22 113.70 117.95 1if4 s SER 105 Ca 0.00 1.60 -0.17 0.00 0.48 0.00 0.00 55.95 57.85 1if4 s SER 105 Cb 0.00 -2.50 -0.14 0.00 0.10 0.00 0.00 66.02 63.48 1if4 s SER 105 CO 0.00 -0.96 -0.07 -0.62 0.98 0.00 0.00 173.24 172.57 1if4 n GLU 106 N -2.29 0.56 -2.33 4.02 1.02 -1.26 -4.87 120.64 115.49 1if4 n GLU 106 Ca 0.07 0.44 -0.32 0.00 -0.02 0.00 0.00 57.16 57.33 1if4 n GLU 106 Cb 0.54 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1if4 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1if4 s HIS 107 N -2.44 3.40 0.12 -0.32 3.76 -1.26 -4.41 115.29 114.13 1if4 s HIS 107 Ca -0.31 1.47 0.06 0.00 -0.15 0.00 0.00 55.06 56.12 1if4 s HIS 107 Cb 0.09 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1if4 s HIS 107 CO 0.51 -0.48 -0.14 0.95 -0.85 0.00 0.00 174.74 174.73 1if4 s THR 108 N -2.62 1.29 -0.23 1.30 -4.23 -1.24 -4.75 115.64 105.16 1if4 s THR 108 Ca 0.59 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1if4 s THR 108 Cb -0.11 -1.51 0.03 0.00 1.34 0.00 0.00 72.50 72.25 1if4 s THR 108 CO 0.33 -0.43 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.18 1if4 s VAL 109 N -2.17 2.47 -1.54 2.29 1.01 -0.60 -0.74 120.40 121.13 1if4 s VAL 109 Ca 0.08 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1if4 s VAL 109 Cb -0.05 -2.25 0.09 0.00 0.00 0.00 0.00 36.38 34.18 1if4 s VAL 109 CO 0.03 0.24 0.90 0.47 0.00 0.00 0.00 175.10 176.73 1if4 n ASP 110 N 4.59 -4.02 0.00 3.32 8.00 0.10 -0.61 116.55 127.94 1if4 n ASP 110 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1if4 n ASP 110 Cb 0.47 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1if4 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if4 n LYS 111 N -4.59 0.00 -2.62 -1.24 4.01 -1.26 -5.00 118.16 107.45 1if4 n LYS 111 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1if4 n LYS 111 Cb 0.54 -2.09 -0.03 0.00 -0.51 0.00 0.00 35.03 32.94 1if4 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1if4 s LYS 112 N -0.01 4.39 -0.15 1.97 2.20 0.22 -5.00 119.74 123.36 1if4 s LYS 112 Ca 0.00 1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 57.00 1if4 s LYS 112 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1if4 s LYS 112 CO 0.00 -0.37 0.12 0.15 -0.36 0.00 0.00 175.35 174.88 1if4 s LYS 113 N 2.16 3.67 0.56 4.03 1.02 -1.26 -1.55 119.74 128.36 1if4 s LYS 113 Ca 0.50 -0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.33 1if4 s LYS 113 Cb -0.20 -3.22 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 1if4 s LYS 113 CO 0.18 0.58 0.77 0.71 -0.92 0.00 0.00 175.35 176.68 1if4 s TYR 114 N -0.46 2.16 0.23 3.18 2.02 -1.26 -4.57 117.35 118.64 1if4 s TYR 114 Ca 0.11 -0.37 0.22 0.00 -0.37 0.00 0.00 57.07 56.67 1if4 s TYR 114 Cb -0.12 -2.56 0.95 0.00 -0.40 0.00 0.00 41.96 39.83 1if4 s TYR 114 CO 0.02 -1.02 1.85 0.00 -1.57 0.00 0.00 175.55 174.83 1if4 h ALA 115 N 0.12 1.10 -2.76 3.71 0.00 -1.43 -2.70 119.26 117.30 1if4 h ALA 115 Ca -0.37 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.38 1if4 h ALA 115 Cb 1.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1if4 h ALA 115 CO 0.44 0.32 0.40 0.00 0.00 0.00 0.00 179.25 180.42 1if4 s ALA 116 N -3.80 -1.20 -0.14 0.00 0.00 -1.17 -2.99 121.76 112.46 1if4 s ALA 116 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 1if4 s ALA 116 Cb 0.11 0.72 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1if4 s ALA 116 CO 0.65 -1.03 0.32 -2.00 0.00 0.00 0.00 175.76 173.70 1if4 s GLU 117 N -2.59 0.27 -0.02 0.00 2.12 0.21 -1.90 118.70 116.80 1if4 s GLU 117 Ca 0.17 0.70 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 1if4 s GLU 117 Cb -0.04 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.27 1if4 s GLU 117 CO 0.08 -0.19 0.51 -1.17 -0.54 0.00 0.00 175.26 173.95 1if4 s LEU 118 N 1.62 4.42 -0.19 2.70 2.96 0.36 -1.51 118.68 129.04 1if4 s LEU 118 Ca -0.07 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1if4 s LEU 118 Cb -0.10 -2.77 0.04 0.00 0.50 0.00 0.00 46.19 43.86 1if4 s LEU 118 CO -0.10 0.17 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.97 1if4 s HIS 119 N -0.41 2.52 -0.42 5.38 3.76 -0.02 -1.21 115.29 124.88 1if4 s HIS 119 Ca 0.27 -1.62 -0.12 0.00 -0.15 0.00 0.00 55.06 53.44 1if4 s HIS 119 Cb -0.17 -1.70 0.06 0.00 1.11 0.00 0.00 32.58 31.87 1if4 s HIS 119 CO 0.15 -0.76 0.30 -0.51 -0.85 0.00 0.00 174.74 173.07 1if4 s LEU 120 N 1.37 5.20 -0.10 0.89 1.02 -0.32 -1.95 118.68 124.79 1if4 s LEU 120 Ca -0.00 -1.25 -0.22 0.00 0.02 0.00 0.00 54.13 52.68 1if4 s LEU 120 Cb -0.16 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1if4 s LEU 120 CO -0.09 -0.53 0.63 -0.69 0.02 0.00 0.00 176.35 175.69 1if4 s VAL 121 N 1.56 5.08 0.10 -1.59 1.01 0.11 -1.17 120.40 125.50 1if4 s VAL 121 Ca 0.03 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.35 1if4 s VAL 121 Cb -0.22 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1if4 s VAL 121 CO 0.06 0.26 -0.15 -1.00 0.00 0.00 0.00 175.10 174.27 1if4 s HIS 122 N 0.87 1.36 0.05 5.22 3.76 0.10 -1.14 115.29 125.51 1if4 s HIS 122 Ca 0.33 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1if4 s HIS 122 Cb -0.17 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1if4 s HIS 122 CO 0.15 0.11 -0.21 1.67 -0.85 0.00 0.00 174.74 175.61 1if4 s TRP 123 N -1.77 1.82 -0.24 1.40 1.48 -0.63 -1.70 118.94 119.31 1if4 s TRP 123 Ca 0.05 -0.38 -0.29 0.00 -1.06 0.00 0.00 56.10 54.42 1if4 s TRP 123 Cb -0.07 -1.08 -0.03 0.00 -1.16 0.00 0.00 33.47 31.13 1if4 s TRP 123 CO 0.03 0.11 1.81 1.21 -4.06 0.00 0.00 176.95 176.05 1if4 s ASN 124 N -1.28 6.05 0.59 -2.66 3.84 0.26 -1.13 114.94 120.61 1if4 s ASN 124 Ca 0.07 1.63 0.29 0.00 0.21 0.00 0.00 52.86 55.06 1if4 s ASN 124 Cb -0.09 -2.53 1.67 0.00 -0.55 0.00 0.00 41.25 39.75 1if4 s ASN 124 CO 0.02 -1.53 2.11 0.71 -2.79 0.00 0.00 177.10 175.62 1if4 h THR 125 N 6.52 0.47 0.00 -5.21 1.35 -1.41 -0.84 112.91 113.80 1if4 h THR 125 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1if4 h THR 125 Cb 1.18 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1if4 h THR 125 CO 1.00 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.34 1if4 h LYS 127 N 0.00 0.00 -0.01 4.72 2.10 -1.90 -2.19 116.57 119.28 1if4 h LYS 127 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1if4 h LYS 127 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1if4 h LYS 127 CO -0.00 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 177.97 1if4 n TYR 128 N -2.79 0.00 0.00 0.07 4.01 -0.32 -4.99 117.16 113.15 1if4 n TYR 128 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1if4 n TYR 128 Cb 0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1if4 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if4 n GLY 129 N 1.27 1.97 3.41 2.72 0.00 -0.83 -4.62 105.19 109.11 1if4 n GLY 129 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1if4 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1if4 s ASP 130 N 0.00 0.01 0.30 1.61 1.47 -1.26 -5.05 116.67 113.74 1if4 s ASP 130 Ca 0.00 -1.00 0.01 0.00 1.18 0.00 0.00 52.55 52.74 1if4 s ASP 130 Cb 0.00 0.49 0.53 0.00 -0.34 0.00 0.00 42.92 43.60 1if4 s ASP 130 CO 0.00 -0.98 1.91 0.15 0.68 0.00 0.00 175.17 176.93 1if4 h PHE 131 N 2.44 1.05 -0.15 2.11 3.57 -1.95 -2.51 116.94 121.50 1if4 h PHE 131 Ca -0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.16 1if4 h PHE 131 Cb 1.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1if4 h PHE 131 CO 0.39 0.54 -0.18 0.78 -2.23 0.00 0.00 178.31 177.61 1if4 h GLY 132 N 1.02 0.26 1.18 2.40 0.00 -1.97 -2.95 103.07 103.02 1if4 h GLY 132 Ca 0.39 -0.17 -0.28 0.00 0.00 0.00 0.00 47.33 47.27 1if4 h GLY 132 CO -0.15 0.16 -1.17 0.50 0.00 0.00 0.00 176.54 175.88 1if4 h LYS 133 N 0.23 0.62 -0.94 4.80 1.79 -1.72 -3.32 116.57 118.03 1if4 h LYS 133 Ca 0.04 -0.80 0.12 0.00 -2.18 0.00 0.00 60.65 57.83 1if4 h LYS 133 Cb 0.45 0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 31.29 1if4 h LYS 133 CO 0.03 1.36 0.60 0.00 -1.08 0.00 0.00 179.45 180.36 1if4 h ALA 134 N 0.30 1.63 0.00 3.86 0.00 -1.35 -1.13 119.26 122.56 1if4 h ALA 134 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1if4 h ALA 134 Cb 1.85 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1if4 h ALA 134 CO 0.23 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.95 1if4 n VAL 135 N -4.57 0.05 0.09 0.00 0.24 -1.13 -2.01 118.33 111.00 1if4 n VAL 135 Ca 0.17 0.01 0.09 0.00 -2.04 0.00 0.00 64.34 62.57 1if4 n VAL 135 Cb 0.36 -0.76 0.18 0.00 -1.47 0.00 0.00 33.84 32.15 1if4 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1if4 n GLN 136 N -1.02 2.30 -4.71 7.34 6.02 -0.43 -4.85 117.38 122.03 1if4 n GLN 136 Ca 0.11 -2.07 -0.27 0.00 -0.01 0.00 0.00 57.00 54.76 1if4 n GLN 136 Cb 0.06 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 1if4 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1if4 s GLN 137 N -1.17 1.53 0.58 -1.09 -1.52 -0.85 -5.04 119.66 112.10 1if4 s GLN 137 Ca 0.31 -1.05 0.28 0.00 -1.95 0.00 0.00 55.36 52.95 1if4 s GLN 137 Cb 0.17 -1.71 1.74 0.00 -0.22 0.00 0.00 33.01 33.00 1if4 s GLN 137 CO 0.24 0.43 2.23 -1.00 -0.25 0.00 0.00 175.29 176.94 1if4 h PRO 138 N 4.72 0.00 -0.52 2.91 0.13 -1.86 -2.48 132.00 134.90 1if4 h PRO 138 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 1if4 h PRO 138 Cb 1.15 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.94 1if4 h PRO 138 CO 0.43 0.00 -0.81 -0.40 -0.23 0.00 0.00 178.00 176.99 1if4 n ASP 139 N -3.93 3.64 0.08 1.44 5.75 -1.26 -4.14 116.55 118.13 1if4 n ASP 139 Ca -0.03 -3.45 -0.05 0.00 -0.01 0.00 0.00 54.79 51.25 1if4 n ASP 139 Cb 0.10 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 1if4 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1if4 h GLY 140 N 1.96 0.00 -3.52 6.12 0.00 -1.26 -3.44 103.07 102.94 1if4 h GLY 140 Ca 0.20 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.93 1if4 h GLY 140 CO 0.50 0.00 -0.82 1.08 0.00 0.00 0.00 176.54 177.30 1if4 s LEU 141 N -6.81 2.39 -0.07 3.11 1.43 -0.08 -0.57 118.68 118.09 1if4 s LEU 141 Ca 0.01 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1if4 s LEU 141 Cb 0.10 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1if4 s LEU 141 CO 0.80 0.07 0.01 0.00 0.23 0.00 0.00 176.35 177.46 1if4 s ALA 142 N -1.60 0.63 -0.15 4.21 0.00 -0.69 -1.48 121.76 122.67 1if4 s ALA 142 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1if4 s ALA 142 Cb -0.08 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1if4 s ALA 142 CO 0.07 -0.46 -0.16 0.08 0.00 0.00 0.00 175.76 175.29 1if4 s VAL 143 N 1.99 2.61 -0.23 0.00 1.01 -1.13 -0.72 120.40 123.93 1if4 s VAL 143 Ca 0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1if4 s VAL 143 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1if4 s VAL 143 CO -0.05 0.52 0.45 -0.22 0.00 0.00 0.00 175.10 175.80 1if4 s LEU 144 N 0.78 4.11 -0.11 3.92 2.96 -0.32 -2.16 118.68 127.86 1if4 s LEU 144 Ca -0.06 0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1if4 s LEU 144 Cb -0.15 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1if4 s LEU 144 CO 0.00 -0.17 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.98 1if4 s GLY 145 N 1.29 1.70 -0.05 7.98 0.00 -0.11 -1.18 107.32 116.95 1if4 s GLY 145 Ca 0.20 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1if4 s GLY 145 CO 0.09 -0.37 -0.12 -0.42 0.00 0.00 0.00 173.10 172.28 1if4 s ILE 146 N -0.23 1.06 0.29 0.90 1.01 -0.35 -1.57 121.20 122.31 1if4 s ILE 146 Ca 0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1if4 s ILE 146 Cb -0.13 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.29 1if4 s ILE 146 CO 0.03 0.33 0.81 -0.36 0.00 0.00 0.00 174.94 175.75 1if4 s PHE 147 N 0.49 3.59 -0.09 3.97 0.08 -1.26 -0.48 117.98 124.28 1if4 s PHE 147 Ca -0.10 1.51 0.03 0.00 0.12 0.00 0.00 56.93 58.48 1if4 s PHE 147 Cb -0.14 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1if4 s PHE 147 CO 0.03 0.23 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.66 1if4 s LEU 148 N -2.24 2.36 0.09 -0.37 1.02 -0.80 -0.78 118.68 117.97 1if4 s LEU 148 Ca 0.48 -0.43 0.10 0.00 0.02 0.00 0.00 54.13 54.31 1if4 s LEU 148 Cb -0.16 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1if4 s LEU 148 CO 0.21 0.21 -0.26 -0.75 0.02 0.00 0.00 176.35 175.77 1if4 s LYS 149 N 0.06 1.55 -0.28 1.70 2.20 -0.24 -2.50 119.74 122.24 1if4 s LYS 149 Ca -0.08 -1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 1if4 s LYS 149 Cb -0.15 -1.88 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 1if4 s LYS 149 CO 0.05 0.46 1.05 0.08 -0.36 0.00 0.00 175.35 176.63 1if4 s VAL 150 N -0.94 4.60 0.00 4.02 1.01 -1.26 -1.24 120.40 126.59 1if4 s VAL 150 Ca 0.12 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1if4 s VAL 150 Cb -0.10 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1if4 s VAL 150 CO 0.04 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1if4 n GLY 151 N 3.62 1.40 3.85 4.51 0.00 -0.25 -4.90 105.19 113.42 1if4 n GLY 151 Ca 0.12 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 1if4 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1if4 s SER 152 N 2.00 6.63 0.33 1.61 0.01 -1.26 -4.00 113.70 119.02 1if4 s SER 152 Ca 0.00 1.45 -0.29 0.00 1.31 0.00 0.00 55.95 58.43 1if4 s SER 152 Cb 0.00 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 1if4 s SER 152 CO 0.00 -0.50 1.28 0.00 0.41 0.00 0.00 173.24 174.43 1if4 s ALA 153 N -2.50 3.47 -0.39 1.44 0.00 -1.26 -2.22 121.76 120.30 1if4 s ALA 153 Ca 0.57 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.62 1if4 s ALA 153 Cb -0.10 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1if4 s ALA 153 CO 0.29 -0.60 0.25 0.21 0.00 0.00 0.00 175.76 175.91 1if4 s LYS 154 N -1.80 2.90 0.19 0.00 2.47 -1.25 -4.82 119.74 117.43 1if4 s LYS 154 Ca 0.49 -1.05 -0.19 0.00 -1.56 0.00 0.00 55.97 53.67 1if4 s LYS 154 Cb -0.39 -3.83 0.15 0.00 -1.46 0.00 0.00 37.83 32.30 1if4 s LYS 154 CO 0.51 -0.71 1.60 -1.35 0.16 0.00 0.00 175.35 175.56 1if4 h PRO 155 N 8.52 -0.12 0.00 4.03 0.11 -1.93 -1.61 132.00 140.99 1if4 h PRO 155 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1if4 h PRO 155 Cb 1.11 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1if4 h PRO 155 CO 0.69 -0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 1if4 n GLY 156 N -1.43 -0.76 0.09 -0.55 0.00 -1.26 -2.18 105.19 99.10 1if4 n GLY 156 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1if4 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1if4 n LEU 157 N -1.45 0.67 -0.20 0.99 7.94 -0.61 -4.43 117.00 119.92 1if4 n LEU 157 Ca 0.03 0.29 0.14 0.00 -1.11 0.00 0.00 56.01 55.35 1if4 n LEU 157 Cb 0.10 0.07 0.46 0.00 0.53 0.00 0.00 43.42 44.58 1if4 n LEU 157 CO 0.08 0.08 1.21 -0.61 -1.11 0.00 0.00 177.39 177.04 1if4 h GLN 158 N 0.00 0.49 -0.75 1.96 5.75 -1.44 -1.23 115.11 119.90 1if4 h GLN 158 Ca -0.14 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1if4 h GLN 158 Cb 1.43 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.83 1if4 h GLN 158 CO 0.03 0.32 0.44 0.87 -2.65 0.00 0.00 178.83 177.84 1if4 h LYS 159 N 0.50 1.02 -0.24 1.69 1.79 -1.78 -0.35 116.57 119.21 1if4 h LYS 159 Ca 0.39 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1if4 h LYS 159 Cb 0.80 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1if4 h LYS 159 CO -0.14 0.73 0.11 0.28 -1.08 0.00 0.00 179.45 179.36 1if4 h VAL 160 N 1.02 1.14 -0.63 0.50 2.07 -1.52 -3.00 116.25 115.84 1if4 h VAL 160 Ca 0.27 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1if4 h VAL 160 Cb -0.01 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1if4 h VAL 160 CO -0.05 0.14 0.29 0.58 0.02 0.00 0.00 177.57 178.56 1if4 h VAL 161 N 0.25 1.21 -0.26 2.57 2.07 -0.91 -3.03 116.25 118.15 1if4 h VAL 161 Ca 0.08 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1if4 h VAL 161 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1if4 h VAL 161 CO -0.01 0.25 -0.14 0.44 0.02 0.00 0.00 177.57 178.13 1if4 h ASP 162 N 0.89 0.42 1.21 0.57 3.32 -0.94 -3.20 116.42 118.69 1if4 h ASP 162 Ca 0.22 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1if4 h ASP 162 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1if4 h ASP 162 CO -0.03 0.59 -0.60 1.62 -1.72 0.00 0.00 179.24 179.10 1if4 h VAL 163 N 0.40 0.00 -1.08 -1.35 3.04 -1.45 -3.39 116.25 112.42 1if4 h VAL 163 Ca 0.08 -0.81 0.32 0.00 -1.01 0.00 0.00 66.70 65.27 1if4 h VAL 163 Cb 0.49 1.48 -0.12 0.00 -2.01 0.00 0.00 31.29 31.12 1if4 h VAL 163 CO 0.03 0.00 0.67 -0.07 -1.01 0.00 0.00 177.57 177.19 1if4 h LEU 164 N 0.00 0.45 -2.94 3.16 3.38 -1.54 0.10 115.31 117.92 1if4 h LEU 164 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1if4 h LEU 164 Cb 0.91 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1if4 h LEU 164 CO 0.00 -0.05 0.01 0.44 0.09 0.00 0.00 178.44 178.93 1if4 h ASP 165 N 0.33 0.00 0.24 -0.43 3.32 -1.81 -1.23 116.42 116.83 1if4 h ASP 165 Ca 0.70 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.75 1if4 h ASP 165 Cb 1.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1if4 h ASP 165 CO -0.45 0.00 -0.23 -1.54 -1.72 0.00 0.00 179.24 175.30 1if4 n SER 166 N -3.13 0.98 -2.57 6.45 3.41 0.35 -4.11 113.62 115.00 1if4 n SER 166 Ca -0.03 -0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 57.59 1if4 n SER 166 Cb 0.08 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1if4 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1if4 n ILE 167 N -0.65 1.62 -0.13 -1.33 -5.35 -0.47 -4.63 119.36 108.42 1if4 n ILE 167 Ca 0.13 -3.52 0.00 0.00 -0.27 0.00 0.00 62.75 59.09 1if4 n ILE 167 Cb 0.34 0.25 0.27 0.00 -1.74 0.00 0.00 39.64 38.76 1if4 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1if4 h LYS 168 N 2.62 0.80 -6.07 6.28 3.64 -1.70 -3.42 116.57 118.73 1if4 h LYS 168 Ca 0.04 -0.09 -0.58 0.00 -1.27 0.00 0.00 60.65 58.75 1if4 h LYS 168 Cb 1.25 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.81 1if4 h LYS 168 CO 0.48 0.62 -0.62 0.95 -2.27 0.00 0.00 179.45 178.61 1if4 s THR 169 N -5.49 2.80 0.31 1.00 -4.23 -1.26 -0.57 115.64 108.19 1if4 s THR 169 Ca -0.10 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 1if4 s THR 169 Cb 0.17 -2.80 -0.13 0.00 1.34 0.00 0.00 72.50 71.08 1if4 s THR 169 CO 0.78 -0.24 1.33 1.17 -0.54 0.00 0.00 174.62 177.12 1if4 n LYS 170 N -0.95 2.12 0.00 3.99 4.81 -0.30 -2.34 118.16 125.48 1if4 n LYS 170 Ca -0.04 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1if4 n LYS 170 Cb 0.62 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1if4 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1if4 n GLY 171 N 1.21 2.35 3.78 3.14 0.00 0.03 -4.40 105.19 111.31 1if4 n GLY 171 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1if4 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if4 s LYS 172 N -0.56 4.35 0.19 1.61 -0.14 -0.99 -4.87 119.74 119.33 1if4 s LYS 172 Ca 0.00 1.42 -0.03 0.00 -1.36 0.00 0.00 55.97 56.00 1if4 s LYS 172 Cb 0.00 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1if4 s LYS 172 CO 0.00 0.05 0.18 -1.54 -0.76 0.00 0.00 175.35 173.27 1if4 s SER 173 N -1.60 0.14 -0.09 2.83 1.04 -1.26 -1.22 113.70 113.54 1if4 s SER 173 Ca 0.55 -1.24 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1if4 s SER 173 Cb -0.20 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.38 1if4 s SER 173 CO 0.26 -0.86 0.61 0.00 0.98 0.00 0.00 173.24 174.22 1if4 s ALA 174 N -4.10 -1.57 0.26 5.32 0.00 -0.18 -4.85 121.76 116.64 1if4 s ALA 174 Ca 0.32 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1if4 s ALA 174 Cb 0.06 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 1if4 s ALA 174 CO 0.08 -0.34 1.37 -0.51 0.00 0.00 0.00 175.76 176.37 1if4 s ASP 175 N -0.84 6.75 -0.42 0.00 1.01 -1.26 -1.30 116.67 120.61 1if4 s ASP 175 Ca -0.09 2.60 0.04 0.00 0.71 0.00 0.00 52.55 55.82 1if4 s ASP 175 Cb -0.02 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.46 1if4 s ASP 175 CO 0.07 -0.61 0.35 0.33 0.21 0.00 0.00 175.17 175.52 1if4 n PHE 176 N 1.97 -0.82 -3.87 4.23 7.35 -0.29 -4.79 117.46 121.23 1if4 n PHE 176 Ca 0.05 -3.33 -0.23 0.00 -0.76 0.00 0.00 57.45 53.17 1if4 n PHE 176 Cb 0.41 0.22 -0.02 0.00 0.35 0.00 0.00 39.48 40.44 1if4 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1if4 s THR 177 N -0.03 5.25 -1.35 -2.13 -4.23 -1.26 -3.26 115.64 108.63 1if4 s THR 177 Ca 0.33 -0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1if4 s THR 177 Cb 0.04 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1if4 s THR 177 CO -0.20 -0.30 0.40 0.59 -0.54 0.00 0.00 174.62 174.58 1if4 n ASN 178 N -1.23 -5.36 -4.72 3.99 4.13 -1.26 -4.98 115.26 105.82 1if4 n ASN 178 Ca -0.08 -0.19 -0.38 0.00 1.68 0.00 0.00 54.58 55.61 1if4 n ASN 178 Cb 0.56 -4.25 -0.06 0.00 -1.54 0.00 0.00 39.78 34.49 1if4 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1if4 s PHE 179 N -3.03 3.52 -0.41 3.10 5.36 -1.26 -5.03 117.98 120.23 1if4 s PHE 179 Ca 0.20 0.93 -0.16 0.00 -0.96 0.00 0.00 56.93 56.94 1if4 s PHE 179 Cb -0.09 -2.58 0.02 0.00 -0.34 0.00 0.00 43.02 40.03 1if4 s PHE 179 CO 0.25 0.15 0.36 0.34 -1.46 0.00 0.00 175.22 174.86 1if4 s ASP 180 N 0.65 6.15 0.55 6.13 -1.08 -1.26 -4.47 116.67 123.35 1if4 s ASP 180 Ca 0.27 -0.73 0.36 0.00 -0.52 0.00 0.00 52.55 51.93 1if4 s ASP 180 Cb -0.15 -2.19 1.63 0.00 -1.46 0.00 0.00 42.92 40.75 1if4 s ASP 180 CO 0.11 -0.49 2.06 1.55 0.52 0.00 0.00 175.17 178.93 1if4 h PRO 181 N 8.65 0.00 0.00 4.34 0.13 -1.94 -3.04 132.00 140.14 1if4 h PRO 181 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1if4 h PRO 181 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1if4 h PRO 181 CO 0.75 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 1if4 h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 -1.53 114.38 114.86 1if4 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1if4 h ARG 182 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1if4 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1if4 n GLY 183 N -1.05 -1.20 0.77 0.04 0.00 -1.15 -3.53 105.19 99.07 1if4 n GLY 183 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1if4 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1if4 n LEU 184 N -1.21 2.63 -4.86 0.99 4.77 -0.58 -4.38 117.00 114.36 1if4 n LEU 184 Ca 0.17 -1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 54.72 1if4 n LEU 184 Cb 0.20 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1if4 n LEU 184 CO 0.21 0.48 0.28 -0.76 -1.33 0.00 0.00 177.39 176.28 1if4 s LEU 185 N -1.48 4.20 0.00 2.23 1.43 -1.23 -4.95 118.68 118.87 1if4 s LEU 185 Ca 0.23 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 1if4 s LEU 185 Cb 0.16 -3.67 0.21 0.00 0.03 0.00 0.00 46.19 42.91 1if4 s LEU 185 CO 0.23 -0.05 1.19 -0.81 0.23 0.00 0.00 176.35 177.14 1if4 n PRO 186 N 0.10 -1.30 -0.05 1.29 -0.04 -1.26 -5.00 135.00 128.74 1if4 n PRO 186 Ca -0.00 -1.84 -0.14 0.00 -0.04 0.00 0.00 63.50 61.48 1if4 n PRO 186 Cb 0.52 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1if4 n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1if4 h GLU 187 N 0.00 0.36 -6.49 0.54 5.08 -1.92 -3.45 114.58 108.69 1if4 h GLU 187 Ca -0.39 -0.22 -0.53 0.00 -1.00 0.00 0.00 59.36 57.22 1if4 h GLU 187 Cb 1.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1if4 h GLU 187 CO 0.27 0.80 -0.09 0.45 -1.00 0.00 0.00 179.01 179.44 1if4 s SER 188 N -6.22 6.58 -0.22 1.42 0.15 -1.26 -5.02 113.70 109.13 1if4 s SER 188 Ca -0.14 0.91 0.13 0.00 0.70 0.00 0.00 55.95 57.55 1if4 s SER 188 Cb 0.05 -2.22 0.46 0.00 -1.71 0.00 0.00 66.02 62.59 1if4 s SER 188 CO 0.76 -0.13 1.35 0.18 1.20 0.00 0.00 173.24 176.60 1if4 n LEU 189 N -0.42 3.48 -4.77 3.45 4.77 -1.26 -4.79 117.00 117.46 1if4 n LEU 189 Ca 0.00 -3.47 -0.39 0.00 -0.03 0.00 0.00 56.01 52.12 1if4 n LEU 189 Cb 0.53 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1if4 n LEU 189 CO 0.46 1.03 0.92 -1.81 -1.33 0.00 0.00 177.39 176.66 1if4 s ASP 190 N -2.57 6.41 0.22 -1.43 1.01 -1.26 -4.75 116.67 114.31 1if4 s ASP 190 Ca 0.40 2.55 -0.11 0.00 0.71 0.00 0.00 52.55 56.11 1if4 s ASP 190 Cb 0.36 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1if4 s ASP 190 CO 0.02 -0.77 0.39 -0.72 0.21 0.00 0.00 175.17 174.30 1if4 s TYR 191 N -1.30 0.47 0.17 4.23 -0.85 -1.26 -1.20 117.35 117.61 1if4 s TYR 191 Ca 0.56 -0.81 0.11 0.00 -0.52 0.00 0.00 57.07 56.41 1if4 s TYR 191 Cb -0.36 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 1if4 s TYR 191 CO 0.46 -0.89 -0.24 -1.58 -1.52 0.00 0.00 175.55 171.78 1if4 s TRP 192 N -4.03 2.35 -0.00 -3.49 0.51 -0.11 -1.31 118.94 112.85 1if4 s TRP 192 Ca 0.24 -0.35 -0.07 0.00 -2.12 0.00 0.00 56.10 53.80 1if4 s TRP 192 Cb 0.01 -1.20 0.00 0.00 -0.81 0.00 0.00 33.47 31.47 1if4 s TRP 192 CO 0.08 0.44 0.13 -0.08 -0.51 0.00 0.00 176.95 177.00 1if4 s THR 193 N -1.43 0.07 0.02 2.01 -1.32 -0.43 -1.08 115.64 113.48 1if4 s THR 193 Ca 0.19 -0.61 -0.27 0.00 -1.21 0.00 0.00 61.69 59.79 1if4 s THR 193 Cb -0.09 -0.39 0.09 0.00 -1.51 0.00 0.00 72.50 70.60 1if4 s THR 193 CO 0.09 -0.33 0.78 -0.72 -2.21 0.00 0.00 174.62 172.23 1if4 s TYR 194 N -1.18 -0.46 -0.14 9.09 1.13 -1.15 -1.58 117.35 123.06 1if4 s TYR 194 Ca -0.13 0.45 -0.27 0.00 -1.41 0.00 0.00 57.07 55.71 1if4 s TYR 194 Cb -0.07 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1if4 s TYR 194 CO 0.01 -0.62 0.92 -1.25 -2.51 0.00 0.00 175.55 172.09 1if4 s PRO 195 N -2.75 4.36 0.00 -3.49 0.04 -1.26 -1.72 135.00 130.18 1if4 s PRO 195 Ca 0.00 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1if4 s PRO 195 Cb -0.01 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1if4 s PRO 195 CO -0.06 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1if4 n GLY 196 N 3.27 5.24 2.51 0.56 0.00 0.97 -4.81 105.19 112.92 1if4 n GLY 196 Ca 0.07 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1if4 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1if4 n SER 197 N 0.00 -1.08 -4.78 1.61 3.41 -1.15 -2.93 113.62 108.70 1if4 n SER 197 Ca 0.00 -2.37 -0.36 0.00 -0.26 0.00 0.00 58.87 55.88 1if4 n SER 197 Cb 0.00 1.97 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 1if4 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if4 s LEU 198 N 0.00 3.97 0.00 1.04 1.43 -0.62 -4.51 118.68 119.98 1if4 s LEU 198 Ca 0.20 2.13 0.25 0.00 -1.03 0.00 0.00 54.13 55.68 1if4 s LEU 198 Cb -0.01 -4.35 0.58 0.00 0.03 0.00 0.00 46.19 42.44 1if4 s LEU 198 CO 0.15 -0.82 1.48 0.35 0.23 0.00 0.00 176.35 177.73 1if4 n THR 199 N -0.61 0.07 -4.23 5.49 -2.24 -1.26 -4.52 114.28 106.98 1if4 n THR 199 Ca 0.08 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1if4 n THR 199 Cb 0.50 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 1if4 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1if4 s THR 200 N -1.93 1.24 0.60 4.28 -4.23 -1.26 -4.70 115.64 109.64 1if4 s THR 200 Ca 0.33 -1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 58.95 1if4 s THR 200 Cb 0.20 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.47 1if4 s THR 200 CO 0.31 -0.46 0.74 -2.65 -0.54 0.00 0.00 174.62 172.02 1if4 n PRO 201 N 0.50 0.66 0.00 3.99 -0.02 -1.26 -1.27 135.00 137.60 1if4 n PRO 201 Ca -0.15 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 1if4 n PRO 201 Cb 0.57 -1.94 0.16 0.00 -0.02 0.00 0.00 33.50 32.28 1if4 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1if4 n PRO 202 N -0.60 0.62 -3.12 0.52 -0.04 -1.26 -5.00 135.00 126.12 1if4 n PRO 202 Ca 0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1if4 n PRO 202 Cb 0.48 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1if4 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1if4 n LEU 203 N -0.64 -1.87 -4.76 1.53 4.77 -0.40 -4.90 117.00 110.74 1if4 n LEU 203 Ca 0.04 -0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 1if4 n LEU 203 Cb 0.02 -2.42 -0.02 0.00 -2.33 0.00 0.00 43.42 38.68 1if4 n LEU 203 CO 0.03 0.14 1.11 -0.76 -1.33 0.00 0.00 177.39 176.57 1if4 s LEU 204 N -6.43 4.37 -1.19 2.23 1.43 -1.26 -4.44 118.68 113.39 1if4 s LEU 204 Ca 0.31 2.80 -0.07 0.00 -1.03 0.00 0.00 54.13 56.14 1if4 s LEU 204 Cb -0.16 -3.64 0.23 0.00 0.03 0.00 0.00 46.19 42.65 1if4 s LEU 204 CO 0.38 -0.74 1.68 -0.62 0.23 0.00 0.00 176.35 177.29 1if4 n GLU 205 N 1.57 3.95 -0.05 1.70 1.02 -1.26 -1.59 120.64 125.98 1if4 n GLU 205 Ca 0.04 -3.98 0.03 0.00 -0.02 0.00 0.00 57.16 53.24 1if4 n GLU 205 Cb 0.40 -2.76 0.04 0.00 -0.02 0.00 0.00 31.44 29.10 1if4 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1if4 s VAL 207 N -1.38 3.55 -0.40 0.00 1.01 -1.15 -0.90 120.40 121.13 1if4 s VAL 207 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1if4 s VAL 207 Cb 0.08 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1if4 s VAL 207 CO 0.01 0.56 0.25 -0.89 0.00 0.00 0.00 175.10 175.03 1if4 s THR 208 N -0.33 4.55 0.14 3.92 2.01 -0.55 -0.02 115.64 125.36 1if4 s THR 208 Ca 0.04 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 1if4 s THR 208 Cb -0.13 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.66 1if4 s THR 208 CO 0.02 -0.38 0.81 0.26 -0.69 0.00 0.00 174.62 174.64 1if4 s TRP 209 N 1.52 3.87 -0.33 4.92 0.52 -0.70 -2.86 118.94 125.88 1if4 s TRP 209 Ca 0.03 1.64 0.00 0.00 0.02 0.00 0.00 56.10 57.79 1if4 s TRP 209 Cb -0.21 -2.83 0.11 0.00 -1.15 0.00 0.00 33.47 29.38 1if4 s TRP 209 CO 0.05 0.42 0.11 0.42 0.02 0.00 0.00 176.95 177.98 1if4 s ILE 210 N -0.78 1.10 -0.25 2.03 1.01 -0.92 -2.92 121.20 120.47 1if4 s ILE 210 Ca 0.38 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 1if4 s ILE 210 Cb -0.23 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1if4 s ILE 210 CO 0.26 -0.70 0.32 -0.69 0.00 0.00 0.00 174.94 174.14 1if4 s VAL 211 N 1.36 5.22 0.20 2.92 1.01 -0.24 -0.93 120.40 129.94 1if4 s VAL 211 Ca 0.11 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1if4 s VAL 211 Cb -0.18 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1if4 s VAL 211 CO -0.20 0.21 1.11 -0.76 0.00 0.00 0.00 175.10 175.47 1if4 s LEU 212 N 1.74 4.50 0.04 3.92 1.02 -0.61 -0.94 118.68 128.35 1if4 s LEU 212 Ca 0.14 2.14 -0.24 0.00 0.02 0.00 0.00 54.13 56.19 1if4 s LEU 212 Cb -0.15 -3.61 -0.16 0.00 0.02 0.00 0.00 46.19 42.29 1if4 s LEU 212 CO 0.09 -0.21 1.48 0.50 0.02 0.00 0.00 176.35 178.23 1if4 h LYS 213 N 4.82 0.08 -5.90 1.70 3.64 -1.50 -3.44 116.57 115.98 1if4 h LYS 213 Ca -0.45 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 1if4 h LYS 213 Cb 1.21 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1if4 h LYS 213 CO 0.71 0.34 0.59 -2.00 -2.27 0.00 0.00 179.45 176.82 1if4 s GLU 214 N -5.07 4.20 0.65 1.90 2.12 -1.26 -5.01 118.70 116.23 1if4 s GLU 214 Ca -0.14 1.07 -0.08 0.00 0.36 0.00 0.00 54.97 56.18 1if4 s GLU 214 Cb 0.04 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.80 1if4 s GLU 214 CO 0.68 -0.57 1.00 -1.25 -0.54 0.00 0.00 175.26 174.58 1if4 s PRO 215 N 2.98 2.78 0.11 4.30 0.04 -1.26 -4.72 135.00 139.22 1if4 s PRO 215 Ca 0.38 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.59 1if4 s PRO 215 Cb -0.15 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1if4 s PRO 215 CO 0.07 -0.92 0.16 0.96 0.04 0.00 0.00 177.00 177.31 1if4 s ILE 216 N -3.18 4.88 -0.06 0.56 -4.36 0.04 -4.88 121.20 114.20 1if4 s ILE 216 Ca 0.56 -0.73 -0.02 0.00 -0.26 0.00 0.00 60.65 60.20 1if4 s ILE 216 Cb -0.11 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 1if4 s ILE 216 CO 0.48 0.04 0.06 -0.94 0.24 0.00 0.00 174.94 174.81 1if4 s SER 217 N -2.73 5.62 0.07 4.36 1.04 -1.26 -1.08 113.70 119.72 1if4 s SER 217 Ca 0.32 0.21 0.04 0.00 0.48 0.00 0.00 55.95 57.00 1if4 s SER 217 Cb -0.12 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1if4 s SER 217 CO 0.25 0.35 -0.11 0.68 0.98 0.00 0.00 173.24 175.39 1if4 s VAL 218 N -1.02 0.86 0.60 5.02 -7.23 -0.37 -3.94 120.40 114.31 1if4 s VAL 218 Ca 0.17 -1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 1if4 s VAL 218 Cb -0.12 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 1if4 s VAL 218 CO 0.07 -0.41 1.05 -0.94 -0.31 0.00 0.00 175.10 174.56 1if4 s SER 219 N -1.96 5.82 0.25 4.85 1.04 -1.05 -1.09 113.70 121.57 1if4 s SER 219 Ca -0.02 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 1if4 s SER 219 Cb -0.07 -2.52 0.46 0.00 0.10 0.00 0.00 66.02 63.98 1if4 s SER 219 CO 0.01 -1.14 1.79 -1.28 0.98 0.00 0.00 173.24 173.60 1if4 h SER 220 N 0.25 0.64 -0.26 7.02 0.87 -1.92 -1.23 113.55 118.92 1if4 h SER 220 Ca -0.46 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 1if4 h SER 220 Cb 1.21 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1if4 h SER 220 CO 0.58 0.33 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.83 1if4 h GLU 221 N 0.74 0.62 -0.35 2.24 3.07 -1.95 -1.18 114.58 117.78 1if4 h GLU 221 Ca 0.43 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 1if4 h GLU 221 Cb 0.48 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1if4 h GLU 221 CO -0.29 0.67 0.06 1.96 -1.40 0.00 0.00 179.01 180.02 1if4 h GLN 222 N 0.58 0.57 0.00 2.33 4.20 -1.61 -3.00 115.11 118.18 1if4 h GLN 222 Ca 0.11 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1if4 h GLN 222 Cb 0.44 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1if4 h GLN 222 CO 0.02 0.64 -0.48 0.28 -0.67 0.00 0.00 178.83 178.61 1if4 h VAL 223 N 0.41 1.32 -0.79 -0.54 2.07 -1.29 -2.95 116.25 114.48 1if4 h VAL 223 Ca 0.11 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 66.02 1if4 h VAL 223 Cb 0.34 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1if4 h VAL 223 CO 0.01 0.48 0.46 -0.07 0.02 0.00 0.00 177.57 178.46 1if4 h LEU 224 N 0.00 0.68 -1.78 2.57 3.38 -1.08 -2.26 115.31 116.83 1if4 h LEU 224 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1if4 h LEU 224 Cb 0.87 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1if4 h LEU 224 CO 0.06 0.42 -0.16 0.11 0.09 0.00 0.00 178.44 178.97 1if4 h LYS 225 N 0.81 0.00 -0.34 1.13 1.57 -1.43 -2.74 116.57 115.57 1if4 h LYS 225 Ca 0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1if4 h LYS 225 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1if4 h LYS 225 CO -0.20 0.16 -0.03 0.74 -0.57 0.00 0.00 179.45 179.54 1if4 h PHE 226 N 0.00 0.68 0.00 -1.35 -1.00 -1.48 -3.11 116.94 110.68 1if4 h PHE 226 Ca -0.00 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1if4 h PHE 226 Cb 0.35 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1if4 h PHE 226 CO 0.00 0.75 0.00 0.54 -1.61 0.00 0.00 178.31 177.99 1if4 n ARG 227 N -4.49 0.01 -0.07 1.51 1.74 -1.04 -2.48 116.66 111.86 1if4 n ARG 227 Ca -0.02 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 1if4 n ARG 227 Cb 0.29 -1.53 0.33 0.00 -1.02 0.00 0.00 32.46 30.53 1if4 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1if4 n LYS 228 N -1.56 1.98 -1.98 5.56 5.02 -1.17 -4.38 118.16 121.62 1if4 n LYS 228 Ca 0.02 -1.45 -0.28 0.00 -2.02 0.00 0.00 58.31 54.58 1if4 n LYS 228 Cb 0.10 -1.45 0.09 0.00 -0.02 0.00 0.00 35.03 33.74 1if4 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1if4 s LEU 229 N -1.75 2.59 0.05 -0.35 1.43 -1.03 -4.93 118.68 114.68 1if4 s LEU 229 Ca 0.34 0.69 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 1if4 s LEU 229 Cb 0.20 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1if4 s LEU 229 CO 0.30 -1.84 -0.21 0.20 0.23 0.00 0.00 176.35 175.03 1if4 s ASN 230 N -4.57 2.56 0.10 2.29 0.02 0.26 -1.16 114.94 114.45 1if4 s ASN 230 Ca 0.62 -0.54 -0.08 0.00 -1.02 0.00 0.00 52.86 51.84 1if4 s ASN 230 Cb -0.11 -0.21 -0.16 0.00 0.02 0.00 0.00 41.25 40.79 1if4 s ASN 230 CO 0.48 0.17 1.24 -0.26 0.02 0.00 0.00 177.10 178.75 1if4 h PHE 231 N 4.83 0.74 -4.14 2.20 0.04 -1.47 -3.36 116.94 115.79 1if4 h PHE 231 Ca -0.43 -0.42 -0.47 0.00 2.80 0.00 0.00 57.97 59.44 1if4 h PHE 231 Cb 1.16 -0.08 0.03 0.00 2.20 0.00 0.00 35.95 39.26 1if4 h PHE 231 CO 0.50 1.25 0.37 0.54 -0.60 0.00 0.00 178.31 180.38 1if4 s ASN 232 N -7.17 6.30 0.95 2.17 4.22 -1.26 -4.41 114.94 115.75 1if4 s ASN 232 Ca -0.07 1.78 -0.15 0.00 -2.14 0.00 0.00 52.86 52.29 1if4 s ASN 232 Cb 0.08 -2.54 0.21 0.00 1.28 0.00 0.00 41.25 40.28 1if4 s ASN 232 CO 0.89 -0.81 1.30 -0.83 -2.04 0.00 0.00 177.10 175.61 1if4 s GLY 233 N -2.51 1.80 0.57 0.45 0.00 -1.26 -1.16 107.32 105.22 1if4 s GLY 233 Ca 0.64 -1.34 -0.20 0.00 0.00 0.00 0.00 44.72 43.82 1if4 s GLY 233 CO 0.27 -0.55 1.24 1.85 0.00 0.00 0.00 173.10 175.91 1if4 s GLU 234 N -5.84 3.07 0.00 2.90 2.12 -1.26 -3.23 118.70 116.45 1if4 s GLU 234 Ca 0.75 1.93 0.00 0.00 0.36 0.00 0.00 54.97 58.01 1if4 s GLU 234 Cb -0.03 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.31 1if4 s GLU 234 CO 0.53 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 1if4 n GLY 235 N 0.59 0.40 3.76 -1.50 0.00 -1.26 -5.01 105.19 102.17 1if4 n GLY 235 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1if4 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if4 s GLU 236 N -0.62 2.50 0.51 1.61 2.02 -1.20 -5.08 118.70 118.43 1if4 s GLU 236 Ca 0.00 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 53.34 1if4 s GLU 236 Cb 0.00 -2.28 -0.06 0.00 0.10 0.00 0.00 34.13 31.89 1if4 s GLU 236 CO 0.00 0.17 1.34 -2.14 0.02 0.00 0.00 175.26 174.65 1if4 s PRO 237 N -3.86 3.39 0.11 0.39 0.02 -1.26 -4.92 135.00 128.86 1if4 s PRO 237 Ca 0.37 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 1if4 s PRO 237 Cb -0.04 -2.39 -0.07 0.00 0.02 0.00 0.00 34.50 32.02 1if4 s PRO 237 CO 0.23 -0.98 1.22 -2.00 -0.33 0.00 0.00 177.00 175.15 1if4 s GLU 238 N -2.74 4.44 -0.26 5.54 2.12 -1.26 -4.77 118.70 121.77 1if4 s GLU 238 Ca 0.67 1.84 -0.03 0.00 0.36 0.00 0.00 54.97 57.82 1if4 s GLU 238 Cb -0.39 -3.30 0.09 0.00 0.26 0.00 0.00 34.13 30.78 1if4 s GLU 238 CO 0.48 -0.23 0.09 -2.00 -0.54 0.00 0.00 175.26 173.06 1if4 s GLU 239 N 0.66 0.47 0.28 4.30 2.56 -1.26 -5.06 118.70 120.65 1if4 s GLU 239 Ca 0.58 -0.64 -0.30 0.00 0.00 0.00 0.00 54.97 54.60 1if4 s GLU 239 Cb -0.31 -1.75 -0.13 0.00 2.00 0.00 0.00 34.13 33.94 1if4 s GLU 239 CO 0.32 -0.88 1.41 1.28 -0.56 0.00 0.00 175.26 176.83 1if4 n LEU 240 N 5.07 3.44 -4.53 2.70 4.77 -1.26 -1.31 117.00 125.87 1if4 n LEU 240 Ca -0.06 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 1if4 n LEU 240 Cb 0.44 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1if4 n LEU 240 CO 0.09 -0.38 1.26 -0.32 -1.33 0.00 0.00 177.39 176.72 1if4 s MET 241 N -0.83 3.45 0.06 3.23 -2.45 -0.30 -4.66 119.30 117.80 1if4 s MET 241 Ca 0.64 -0.99 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1if4 s MET 241 Cb -0.60 -4.91 -0.03 0.00 1.25 0.00 0.00 34.83 30.54 1if4 s MET 241 CO 0.53 -2.09 0.05 0.14 1.05 0.00 0.00 175.02 174.70 1if4 s VAL 242 N 4.71 0.19 -1.42 10.11 -7.23 -1.26 -4.47 120.40 121.03 1if4 s VAL 242 Ca 0.39 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1if4 s VAL 242 Cb -0.04 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.51 1if4 s VAL 242 CO -0.02 -0.87 0.85 0.47 -0.31 0.00 0.00 175.10 175.22 1if4 n ASP 243 N 0.08 -3.12 -3.12 4.85 8.00 -0.47 -4.88 116.55 117.90 1if4 n ASP 243 Ca -0.15 -0.79 -0.35 0.00 0.71 0.00 0.00 54.79 54.21 1if4 n ASP 243 Cb 0.61 -3.99 -0.02 0.00 -0.02 0.00 0.00 41.12 37.70 1if4 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1if4 n ASN 244 N -2.94 7.46 -4.13 -2.24 6.94 -1.10 -4.91 115.26 114.34 1if4 n ASN 244 Ca -0.12 -3.17 -0.19 0.00 -0.02 0.00 0.00 54.58 51.08 1if4 n ASN 244 Cb 0.60 -1.31 -0.13 0.00 -2.36 0.00 0.00 39.78 36.58 1if4 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1if4 s TRP 245 N -1.40 1.13 -0.12 -2.53 1.48 -1.26 -4.57 118.94 111.67 1if4 s TRP 245 Ca 0.56 -0.39 -0.13 0.00 -1.06 0.00 0.00 56.10 55.08 1if4 s TRP 245 Cb 0.26 -0.66 -0.05 0.00 -1.16 0.00 0.00 33.47 31.86 1if4 s TRP 245 CO -0.14 0.03 0.28 0.50 -4.06 0.00 0.00 176.95 173.56 1if4 s ARG 246 N -1.31 4.04 0.71 3.25 3.52 -1.26 -4.99 118.95 122.91 1if4 s ARG 246 Ca -0.01 0.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 1if4 s ARG 246 Cb -0.08 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1if4 s ARG 246 CO 0.01 0.43 1.14 -1.25 -0.81 0.00 0.00 175.30 174.82 1if4 s PRO 247 N -0.11 2.43 0.31 5.12 0.04 -1.26 -4.66 135.00 136.87 1if4 s PRO 247 Ca 0.17 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1if4 s PRO 247 Cb -0.13 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1if4 s PRO 247 CO 0.05 -1.56 1.32 0.00 0.04 0.00 0.00 177.00 176.86 1if4 n ALA 248 N -2.74 1.26 -2.84 8.56 0.00 -1.26 -4.43 120.51 119.05 1if4 n ALA 248 Ca 0.11 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 53.68 1if4 n ALA 248 Cb 0.52 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1if4 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1if4 s GLN 249 N -1.44 3.03 0.28 0.00 -1.52 0.20 -4.95 119.66 115.27 1if4 s GLN 249 Ca 0.59 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.82 1if4 s GLN 249 Cb -0.59 -2.69 -0.12 0.00 -0.22 0.00 0.00 33.01 29.39 1if4 s GLN 249 CO 0.58 0.46 1.61 -2.30 -0.25 0.00 0.00 175.29 175.40 1if4 n PRO 250 N -0.72 2.70 0.15 2.91 -0.02 -1.26 -4.50 135.00 134.26 1if4 n PRO 250 Ca -0.08 0.96 0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1if4 n PRO 250 Cb 0.56 -2.75 0.37 0.00 -0.02 0.00 0.00 33.50 31.66 1if4 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1if4 h LEU 251 N 5.06 0.12 0.00 2.45 5.85 -1.94 -3.45 115.31 123.39 1if4 h LEU 251 Ca -0.46 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1if4 h LEU 251 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1if4 h LEU 251 CO 0.82 0.39 0.00 0.29 -0.34 0.00 0.00 178.44 179.59 1if4 n LYS 252 N -4.18 0.00 -1.82 1.25 4.76 -1.26 -3.20 118.16 113.71 1if4 n LYS 252 Ca -0.02 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 1if4 n LYS 252 Cb 0.34 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.51 1if4 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1if4 n ASN 253 N 1.58 7.66 -4.29 4.39 5.03 -1.26 -4.93 115.26 123.44 1if4 n ASN 253 Ca 0.00 -3.11 -0.16 0.00 0.87 0.00 0.00 54.58 52.18 1if4 n ASN 253 Cb 0.00 -1.34 -0.10 0.00 -1.02 0.00 0.00 39.78 37.32 1if4 n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1if4 s ARG 254 N -1.06 1.21 -0.04 3.52 0.52 -1.19 -5.14 118.95 116.77 1if4 s ARG 254 Ca 0.56 -1.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.22 1if4 s ARG 254 Cb 0.23 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 35.07 1if4 s ARG 254 CO -0.12 -0.00 -0.07 -1.14 0.02 0.00 0.00 175.30 173.98 1if4 s GLN 255 N -3.80 0.95 -0.22 3.54 0.74 -1.26 -5.06 119.66 114.55 1if4 s GLN 255 Ca 0.23 -0.22 -0.16 0.00 0.05 0.00 0.00 55.36 55.26 1if4 s GLN 255 Cb 0.04 -0.89 -0.04 0.00 1.10 0.00 0.00 33.01 33.22 1if4 s GLN 255 CO 0.05 0.02 0.41 0.42 -0.55 0.00 0.00 175.29 175.64 1if4 s ILE 256 N 0.53 5.18 0.12 -2.34 1.01 -1.26 -4.69 121.20 119.74 1if4 s ILE 256 Ca -0.08 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.31 1if4 s ILE 256 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1if4 s ILE 256 CO 0.01 0.22 0.20 -0.54 0.00 0.00 0.00 174.94 174.83 1if4 s LYS 257 N 1.52 3.25 -0.02 2.79 1.02 -0.62 -1.44 119.74 126.24 1if4 s LYS 257 Ca 0.19 -0.62 0.08 0.00 0.02 0.00 0.00 55.97 55.64 1if4 s LYS 257 Cb -0.15 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1if4 s LYS 257 CO 0.08 0.55 -0.26 0.00 -0.92 0.00 0.00 175.35 174.80 1if4 s ALA 258 N -1.62 2.17 -2.23 5.17 0.00 -0.47 -1.31 121.76 123.47 1if4 s ALA 258 Ca 0.33 -1.12 0.25 0.00 0.00 0.00 0.00 51.96 51.41 1if4 s ALA 258 Cb -0.12 -0.56 1.13 0.00 0.00 0.00 0.00 23.12 23.58 1if4 s ALA 258 CO 0.26 0.53 1.77 -1.13 0.00 0.00 0.00 175.76 177.19 1if4 n SER 259 N 2.42 0.96 -4.10 0.00 3.41 -0.43 -1.62 113.62 114.27 1if4 n SER 259 Ca -0.16 -1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 56.88 1if4 n SER 259 Cb 0.51 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 1if4 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1if4 s PHE 260 N -1.93 0.71 -2.34 7.33 -0.71 -1.26 -4.89 117.98 114.88 1if4 s PHE 260 Ca 0.36 -0.70 0.29 0.00 -1.04 0.00 0.00 56.93 55.84 1if4 s PHE 260 Cb 0.18 -0.43 1.32 0.00 -1.21 0.00 0.00 43.02 42.88 1if4 s PHE 260 CO 0.29 -0.14 1.90 1.17 -1.34 0.00 0.00 175.22 177.10