#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fuj s VAL 17 N 0.00 5.35 -1.85 1.39 1.01 0.79 -4.24 120.40 122.85 1fuj s VAL 17 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1fuj s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1fuj s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1fuj n GLY 18 N 1.54 1.68 0.00 4.51 0.00 -1.26 -1.52 105.19 110.15 1fuj n GLY 18 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1fuj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fuj n GLY 19 N -0.39 0.63 3.05 -0.02 0.00 -1.26 -4.96 105.19 102.24 1fuj n GLY 19 Ca -0.17 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1fuj n GLY 19 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1fuj s HIS 20 N 0.22 0.43 0.20 1.61 -3.43 0.12 -4.88 115.29 109.56 1fuj s HIS 20 Ca 0.00 -0.88 -0.31 0.00 -0.80 0.00 0.00 55.06 53.08 1fuj s HIS 20 Cb 0.00 -0.32 -0.10 0.00 -1.43 0.00 0.00 32.58 30.73 1fuj s HIS 20 CO 0.00 -0.31 1.47 -2.00 -2.00 0.00 0.00 174.74 171.90 1fuj s GLU 21 N -3.04 4.26 0.82 -0.38 2.12 -1.26 0.18 118.70 121.40 1fuj s GLU 21 Ca -0.01 2.29 -0.11 0.00 0.36 0.00 0.00 54.97 57.49 1fuj s GLU 21 Cb 0.02 -3.14 0.08 0.00 0.26 0.00 0.00 34.13 31.34 1fuj s GLU 21 CO -0.07 -0.48 1.09 0.00 -0.54 0.00 0.00 175.26 175.26 1fuj s ALA 22 N 0.51 2.01 0.09 6.30 0.00 -0.38 -4.79 121.76 125.50 1fuj s ALA 22 Ca 0.63 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1fuj s ALA 22 Cb -0.42 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1fuj s ALA 22 CO 0.38 -1.95 0.95 -1.14 0.00 0.00 0.00 175.76 173.99 1fuj s GLN 23 N -4.96 4.66 -0.29 0.00 0.74 -1.26 -4.90 119.66 113.65 1fuj s GLN 23 Ca 0.62 1.41 -0.40 0.00 0.05 0.00 0.00 55.36 57.04 1fuj s GLN 23 Cb -0.17 -3.39 -0.16 0.00 1.10 0.00 0.00 33.01 30.40 1fuj s GLN 23 CO 0.56 0.17 1.76 -2.30 -0.55 0.00 0.00 175.29 174.94 1fuj n PRO 24 N 2.98 1.15 -1.56 1.67 -0.02 -1.26 -1.24 135.00 136.71 1fuj n PRO 24 Ca 0.02 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1fuj n PRO 24 Cb 0.50 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1fuj n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fuj n HIS 25 N 5.49 -0.14 0.45 6.00 8.25 -1.26 -4.88 115.22 129.13 1fuj n HIS 25 Ca 0.27 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1fuj n HIS 25 Cb 0.13 -2.23 0.29 0.00 1.12 0.00 0.00 29.99 29.30 1fuj n HIS 25 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1fuj h SER 26 N 0.00 0.00 -2.23 0.41 4.64 -1.56 -3.34 113.55 111.48 1fuj h SER 26 Ca -0.24 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.50 1fuj h SER 26 Cb 0.85 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.53 1fuj h SER 26 CO 0.33 0.01 -0.74 0.54 -0.87 0.00 0.00 176.83 176.09 1fuj n ARG 27 N -2.60 2.75 0.00 4.77 5.12 -1.26 -4.93 116.66 120.51 1fuj n ARG 27 Ca 0.05 -4.56 0.01 0.00 -1.93 0.00 0.00 57.85 51.41 1fuj n ARG 27 Cb 0.47 -2.13 0.05 0.00 -1.16 0.00 0.00 32.46 29.69 1fuj n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1fuj n PRO 28 N -0.06 0.04 0.00 5.56 -0.04 -1.25 -1.26 135.00 138.00 1fuj n PRO 28 Ca 0.30 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 1fuj n PRO 28 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1fuj n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1fuj n TYR 29 N -1.10 0.00 -1.85 0.54 0.18 -1.18 -1.09 117.16 112.66 1fuj n TYR 29 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 1fuj n TYR 29 Cb 0.01 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1fuj n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1fuj s MET 30 N -2.58 3.97 0.07 -3.48 -1.94 -0.39 0.17 119.30 115.13 1fuj s MET 30 Ca 0.17 2.24 0.05 0.00 -1.71 0.00 0.00 55.69 56.44 1fuj s MET 30 Cb 0.18 -4.11 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 1fuj s MET 30 CO 0.62 -1.12 -0.06 0.00 -0.01 0.00 0.00 175.02 174.46 1fuj s ALA 31 N 4.92 3.08 -0.23 3.03 0.00 -0.02 -4.45 121.76 128.09 1fuj s ALA 31 Ca 0.82 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1fuj s ALA 31 Cb -0.35 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1fuj s ALA 31 CO 0.35 0.65 -0.08 0.45 0.00 0.00 0.00 175.76 177.13 1fuj s SER 32 N -2.04 4.12 -0.27 0.00 0.15 -0.10 -1.03 113.70 114.54 1fuj s SER 32 Ca 0.22 -0.70 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 1fuj s SER 32 Cb -0.11 -1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1fuj s SER 32 CO 0.14 -0.08 0.85 -0.76 1.20 0.00 0.00 173.24 174.59 1fuj s LEU 33 N 1.36 4.07 0.41 3.45 1.02 0.12 -0.88 118.68 128.23 1fuj s LEU 33 Ca 0.03 0.94 0.05 0.00 0.02 0.00 0.00 54.13 55.17 1fuj s LEU 33 Cb -0.15 -3.21 -0.06 0.00 0.02 0.00 0.00 46.19 42.79 1fuj s LEU 33 CO -0.05 -0.59 0.03 -1.10 0.02 0.00 0.00 176.35 174.65 1fuj s GLN 34 N 2.98 1.92 -0.21 1.70 -0.21 0.23 -1.73 119.66 124.34 1fuj s GLN 34 Ca 0.36 -2.12 -0.16 0.00 0.02 0.00 0.00 55.36 53.46 1fuj s GLN 34 Cb -0.15 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 1fuj s GLN 34 CO 0.10 -0.17 0.42 -1.64 -2.12 0.00 0.00 175.29 171.88 1fuj s MET 35 N -3.78 4.15 0.11 2.91 -1.94 -1.16 0.06 119.30 119.65 1fuj s MET 35 Ca 0.30 0.22 -0.33 0.00 -1.71 0.00 0.00 55.69 54.16 1fuj s MET 35 Cb 0.08 -3.56 -0.13 0.00 2.01 0.00 0.00 34.83 33.22 1fuj s MET 35 CO 0.15 -0.11 1.68 0.54 -0.01 0.00 0.00 175.02 177.27 1fuj n ARG 36 N 4.71 2.29 0.00 2.03 5.12 0.17 -1.31 116.66 129.65 1fuj n ARG 36 Ca -0.07 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1fuj n ARG 36 Cb 0.51 -2.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 1fuj n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fuj n GLY 38 N 3.75 1.12 2.85 -0.13 0.00 -1.26 -4.98 105.19 106.53 1fuj n GLY 38 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1fuj n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fuj s ASN 38 N -2.64 4.14 0.15 1.61 2.47 -0.43 -5.10 114.94 115.14 1fuj s ASN 38 Ca 0.00 -2.43 -0.31 0.00 0.42 0.00 0.00 52.86 50.55 1fuj s ASN 38 Cb 0.00 -1.29 -0.08 0.00 -1.45 0.00 0.00 41.25 38.43 1fuj s ASN 38 CO 0.00 -0.31 1.35 -2.84 -3.72 0.00 0.00 177.10 171.58 1fuj s PRO 38 N 0.56 4.35 0.00 0.43 0.02 -1.26 -2.73 135.00 136.37 1fuj s PRO 38 Ca 0.14 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1fuj s PRO 38 Cb -0.22 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1fuj s PRO 38 CO -0.06 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1fuj n GLY 38 N 2.97 0.75 2.10 0.52 0.00 -1.24 -4.93 105.19 105.35 1fuj n GLY 38 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1fuj n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fuj n SER 39 N 0.00 6.06 -4.71 1.61 3.41 -1.11 -4.77 113.62 114.12 1fuj n SER 39 Ca 0.00 -2.55 -0.42 0.00 -0.26 0.00 0.00 58.87 55.64 1fuj n SER 39 Cb 0.00 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.49 1fuj n SER 39 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1fuj s HIS 40 N 1.02 2.87 0.00 7.33 2.46 -1.26 -2.96 115.29 124.75 1fuj s HIS 40 Ca 0.67 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.77 1fuj s HIS 40 Cb 0.29 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 1fuj s HIS 40 CO -0.03 -3.39 0.00 1.97 -2.47 0.00 0.00 174.74 170.82 1fuj n PHE 41 N 4.56 0.00 -4.14 3.88 1.16 -0.70 -5.01 117.46 117.22 1fuj n PHE 41 Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.63 1fuj n PHE 41 Cb 0.40 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.17 1fuj n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fuj s GLY 43 N -3.00 1.96 0.24 0.00 0.00 0.14 0.11 107.32 106.77 1fuj s GLY 43 Ca 0.14 -1.72 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 1fuj s GLY 43 CO -0.05 -1.56 0.82 -0.32 0.00 0.00 0.00 173.10 172.00 1fuj s GLY 44 N -4.22 -0.09 -0.05 0.20 0.00 -0.20 -3.47 107.32 99.49 1fuj s GLY 44 Ca 0.50 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.04 1fuj s GLY 44 CO 0.30 0.02 -0.05 -1.59 0.00 0.00 0.00 173.10 171.79 1fuj s THR 45 N -3.49 0.59 -0.23 0.90 2.01 0.30 -0.84 115.64 114.88 1fuj s THR 45 Ca 0.12 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1fuj s THR 45 Cb -0.04 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1fuj s THR 45 CO 0.06 0.24 1.32 -0.22 -0.69 0.00 0.00 174.62 175.33 1fuj s LEU 46 N 0.99 4.03 0.00 4.42 2.96 0.13 0.20 118.68 131.41 1fuj s LEU 46 Ca -0.10 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 1fuj s LEU 46 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1fuj s LEU 46 CO -0.00 -0.95 0.17 2.30 -1.32 0.00 0.00 176.35 176.55 1fuj n ILE 47 N 5.83 0.00 -3.61 6.68 -5.35 -1.10 -1.97 119.36 119.84 1fuj n ILE 47 Ca 0.15 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 62.08 1fuj n ILE 47 Cb 0.46 1.10 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 1fuj n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1fuj s HIS 48 N -0.44 -0.64 0.59 4.28 5.04 -1.22 -4.67 115.29 118.23 1fuj s HIS 48 Ca 0.00 1.35 0.29 0.00 -1.54 0.00 0.00 55.06 55.16 1fuj s HIS 48 Cb 0.00 0.30 1.53 0.00 0.04 0.00 0.00 32.58 34.45 1fuj s HIS 48 CO 0.00 -0.46 1.95 -1.35 -2.34 0.00 0.00 174.74 172.54 1fuj h PRO 49 N 4.11 0.00 -0.14 2.88 0.11 -1.95 -1.57 132.00 135.44 1fuj h PRO 49 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1fuj h PRO 49 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1fuj h PRO 49 CO 0.25 0.00 -0.30 0.43 -0.21 0.00 0.00 178.00 178.17 1fuj n SER 50 N -3.70 2.10 -3.69 -2.05 7.64 -1.26 0.13 113.62 112.78 1fuj n SER 50 Ca 0.06 -3.79 -0.10 0.00 1.01 0.00 0.00 58.87 56.05 1fuj n SER 50 Cb 0.57 -0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1fuj n SER 50 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1fuj s PHE 51 N -3.21 -0.65 -0.06 1.43 0.08 -0.59 -2.09 117.98 112.89 1fuj s PHE 51 Ca 0.40 1.39 0.03 0.00 0.12 0.00 0.00 56.93 58.88 1fuj s PHE 51 Cb 0.38 0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 43.11 1fuj s PHE 51 CO -0.03 -0.36 -0.15 0.08 -0.10 0.00 0.00 175.22 174.66 1fuj s VAL 52 N 1.33 2.99 -0.13 -0.44 1.01 0.28 -2.71 120.40 122.73 1fuj s VAL 52 Ca -0.09 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1fuj s VAL 52 Cb -0.08 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1fuj s VAL 52 CO -0.13 0.58 0.10 -0.22 0.00 0.00 0.00 175.10 175.44 1fuj s LEU 53 N -0.57 4.13 0.00 3.92 2.96 0.13 0.39 118.68 129.63 1fuj s LEU 53 Ca 0.08 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1fuj s LEU 53 Cb -0.11 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1fuj s LEU 53 CO 0.01 0.34 0.00 1.07 -1.32 0.00 0.00 176.35 176.45 1fuj n THR 54 N 2.42 0.00 -3.58 3.68 5.66 -0.47 0.11 114.28 122.10 1fuj n THR 54 Ca -0.19 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.44 1fuj n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1fuj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fuj s ALA 55 N -1.23 3.72 0.52 1.79 0.00 -1.26 -0.64 121.76 124.66 1fuj s ALA 55 Ca 0.00 -0.33 0.32 0.00 0.00 0.00 0.00 51.96 51.96 1fuj s ALA 55 Cb 0.00 -2.30 1.80 0.00 0.00 0.00 0.00 23.12 22.62 1fuj s ALA 55 CO 0.00 0.46 2.20 0.00 0.00 0.00 0.00 175.76 178.43 1fuj h ALA 56 N 5.00 1.30 0.00 0.00 0.00 -1.73 -2.08 119.26 121.75 1fuj h ALA 56 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1fuj h ALA 56 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fuj h ALA 56 CO 0.62 0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.54 1fuj n HIS 57 N -3.57 0.00 0.26 0.00 1.44 -1.26 -3.34 115.22 108.75 1fuj n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 1fuj n HIS 57 Cb 0.15 -0.21 0.10 0.00 0.12 0.00 0.00 29.99 30.15 1fuj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fuj n LEU 59 N -2.64 2.95 0.01 0.00 4.32 -1.21 -4.77 117.00 115.66 1fuj n LEU 59 Ca 0.02 -3.75 -0.00 0.00 -0.02 0.00 0.00 56.01 52.26 1fuj n LEU 59 Cb 0.51 -0.54 -0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1fuj n LEU 59 CO 0.37 1.27 0.27 0.03 -1.22 0.00 0.00 177.39 178.11 1fuj h ARG 60 N 0.89 -0.02 -1.01 3.23 2.47 -1.67 -3.36 114.38 114.90 1fuj h ARG 60 Ca 0.04 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.45 1fuj h ARG 60 Cb 1.13 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.27 1fuj h ARG 60 CO 0.08 -0.01 0.40 -0.40 0.56 0.00 0.00 179.97 180.59 1fuj n ASP 61 N -2.08 3.54 -3.78 7.04 5.68 -1.26 -4.84 116.55 120.85 1fuj n ASP 61 Ca -0.00 -2.96 -0.18 0.00 -0.50 0.00 0.00 54.79 51.14 1fuj n ASP 61 Cb 0.01 -0.71 -0.17 0.00 -1.14 0.00 0.00 41.12 39.11 1fuj n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1fuj s ILE 62 N -1.99 0.12 0.36 2.12 1.09 -1.26 -5.14 121.20 116.51 1fuj s ILE 62 Ca 0.34 0.17 -0.25 0.00 -1.10 0.00 0.00 60.65 59.81 1fuj s ILE 62 Cb 0.29 -0.26 -0.09 0.00 -1.06 0.00 0.00 42.46 41.33 1fuj s ILE 62 CO 0.06 0.16 1.05 -2.84 -0.10 0.00 0.00 174.94 173.27 1fuj s PRO 63 N 1.39 4.32 0.15 2.79 0.02 -1.26 -4.83 135.00 137.58 1fuj s PRO 63 Ca -0.05 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.21 1fuj s PRO 63 Cb -0.13 -2.72 -0.08 0.00 0.02 0.00 0.00 34.50 31.59 1fuj s PRO 63 CO -0.03 -0.01 1.54 1.96 -0.33 0.00 0.00 177.00 180.13 1fuj h GLN 63 N 2.87 -0.11 0.00 5.54 4.20 -1.98 -1.42 115.11 124.21 1fuj h GLN 63 Ca -0.48 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1fuj h GLN 63 Cb 1.21 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1fuj h GLN 63 CO 0.64 -0.08 0.30 0.07 -0.67 0.00 0.00 178.83 179.09 1fuj h ARG 63 N -0.12 0.00 -0.02 1.46 0.11 -1.92 0.21 114.38 114.11 1fuj h ARG 63 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1fuj h ARG 63 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1fuj h ARG 63 CO -0.83 0.00 -0.26 1.28 0.10 0.00 0.00 179.97 180.26 1fuj n LEU 63 N -2.08 2.16 -4.71 0.08 4.77 -0.53 -4.91 117.00 111.78 1fuj n LEU 63 Ca -0.01 -0.75 -0.41 0.00 -0.03 0.00 0.00 56.01 54.82 1fuj n LEU 63 Cb 0.32 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1fuj n LEU 63 CO 0.06 0.38 0.53 -0.69 -1.33 0.00 0.00 177.39 176.34 1fuj s VAL 64 N -2.29 4.96 -0.27 4.08 1.01 0.75 0.42 120.40 129.06 1fuj s VAL 64 Ca 0.24 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.97 1fuj s VAL 64 Cb 0.19 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.46 1fuj s VAL 64 CO 0.46 0.20 -0.09 0.21 0.00 0.00 0.00 175.10 175.88 1fuj s ASN 65 N 0.91 4.51 -0.41 3.32 3.04 0.11 -3.96 114.94 122.46 1fuj s ASN 65 Ca 0.44 -1.36 -0.24 0.00 0.04 0.00 0.00 52.86 51.73 1fuj s ASN 65 Cb -0.19 -1.58 0.02 0.00 -1.54 0.00 0.00 41.25 37.96 1fuj s ASN 65 CO 0.22 -0.20 0.85 -0.69 -3.04 0.00 0.00 177.10 174.25 1fuj s VAL 66 N 1.13 4.61 -0.31 -5.21 1.01 -0.32 0.77 120.40 122.09 1fuj s VAL 66 Ca -0.08 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1fuj s VAL 66 Cb -0.20 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1fuj s VAL 66 CO -0.04 -0.63 0.14 -0.69 0.00 0.00 0.00 175.10 173.88 1fuj s VAL 67 N 3.40 4.52 0.15 2.92 1.01 -0.05 -1.36 120.40 130.99 1fuj s VAL 67 Ca 0.34 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1fuj s VAL 67 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1fuj s VAL 67 CO 0.21 0.08 0.14 -0.76 0.00 0.00 0.00 175.10 174.77 1fuj s LEU 68 N 1.60 3.84 0.00 3.92 1.43 0.39 -0.92 118.68 128.94 1fuj s LEU 68 Ca 0.04 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1fuj s LEU 68 Cb -0.17 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1fuj s LEU 68 CO 0.06 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1fuj n GLY 69 N -0.24 0.83 3.95 -3.19 0.00 -1.26 -0.13 105.19 105.15 1fuj n GLY 69 Ca -0.08 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1fuj n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj s ALA 70 N -2.00 3.78 0.04 4.61 0.00 -1.26 -3.80 121.76 123.13 1fuj s ALA 70 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1fuj s ALA 70 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1fuj s ALA 70 CO 0.00 -0.34 0.00 1.58 0.00 0.00 0.00 175.76 177.00 1fuj n HIS 71 N -2.04 -0.35 -2.85 0.00 -0.00 -1.26 -4.61 115.22 104.12 1fuj n HIS 71 Ca 0.01 0.06 -0.43 0.00 0.46 0.00 0.00 57.72 57.82 1fuj n HIS 71 Cb 0.58 0.43 -0.04 0.00 -0.12 0.00 0.00 29.99 30.84 1fuj n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1fuj s ASN 72 N -4.32 6.22 0.00 0.26 3.84 -1.26 -1.82 114.94 117.87 1fuj s ASN 72 Ca 0.00 -1.09 0.19 0.00 0.21 0.00 0.00 52.86 52.18 1fuj s ASN 72 Cb 0.00 -2.42 0.86 0.00 -0.55 0.00 0.00 41.25 39.14 1fuj s ASN 72 CO 0.00 -1.42 1.61 1.33 -2.79 0.00 0.00 177.10 175.83 1fuj n VAL 73 N 5.92 0.61 -0.74 -5.21 0.24 -0.42 -3.41 118.33 115.32 1fuj n VAL 73 Ca -0.00 0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 62.26 1fuj n VAL 73 Cb 0.46 -0.83 0.11 0.00 -1.47 0.00 0.00 33.84 32.11 1fuj n VAL 73 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1fuj n ARG 74 N -1.44 1.99 -3.46 7.34 0.00 -1.26 -3.69 116.66 116.13 1fuj n ARG 74 Ca 0.06 -2.22 -0.12 0.00 -0.00 0.00 0.00 57.85 55.57 1fuj n ARG 74 Cb 0.20 -1.87 -0.03 0.00 0.00 0.00 0.00 32.46 30.77 1fuj n ARG 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1fuj s THR 75 N -2.68 0.01 -0.77 5.15 2.01 -1.22 -4.97 115.64 113.17 1fuj s THR 75 Ca 0.43 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 1fuj s THR 75 Cb 0.35 -1.03 0.19 0.00 0.01 0.00 0.00 72.50 72.02 1fuj s THR 75 CO 0.05 -0.06 0.73 -1.10 -0.69 0.00 0.00 174.62 173.56 1fuj s GLN 76 N -3.72 3.46 0.25 4.92 -0.21 -1.26 -4.90 119.66 118.18 1fuj s GLN 76 Ca 0.01 -2.22 -0.24 0.00 0.02 0.00 0.00 55.36 52.93 1fuj s GLN 76 Cb -0.00 -4.43 -0.09 0.00 1.00 0.00 0.00 33.01 29.49 1fuj s GLN 76 CO -0.13 -1.34 0.83 -1.21 -2.12 0.00 0.00 175.29 171.33 1fuj s GLU 77 N 0.71 4.50 0.50 2.91 2.02 -1.26 -4.95 118.70 123.12 1fuj s GLU 77 Ca 0.15 1.15 0.18 0.00 0.02 0.00 0.00 54.97 56.48 1fuj s GLU 77 Cb -0.14 -2.98 1.23 0.00 0.10 0.00 0.00 34.13 32.34 1fuj s GLU 77 CO -0.06 0.41 2.09 -1.35 0.02 0.00 0.00 175.26 176.36 1fuj h PRO 78 N 3.61 0.00 0.00 0.39 0.11 -1.96 -1.73 132.00 132.42 1fuj h PRO 78 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1fuj h PRO 78 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1fuj h PRO 78 CO 0.66 0.09 -0.10 1.79 -0.21 0.00 0.00 178.00 180.23 1fuj h THR 79 N 0.00 0.40 -4.22 -1.15 1.35 -1.93 -3.45 112.91 103.91 1fuj h THR 79 Ca -0.00 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.80 1fuj h THR 79 Cb 0.17 1.39 0.11 0.00 -1.73 0.00 0.00 68.15 68.10 1fuj h THR 79 CO 0.01 0.10 0.36 -1.10 -0.25 0.00 0.00 175.52 174.64 1fuj s GLN 80 N -4.02 2.59 -0.09 4.72 -0.21 -0.65 -4.37 119.66 117.63 1fuj s GLN 80 Ca -0.02 1.38 -0.05 0.00 0.02 0.00 0.00 55.36 56.69 1fuj s GLN 80 Cb 0.12 -1.92 0.04 0.00 1.00 0.00 0.00 33.01 32.25 1fuj s GLN 80 CO 0.56 -1.41 0.22 -1.14 -2.12 0.00 0.00 175.29 171.40 1fuj s GLN 81 N -4.25 0.18 0.06 2.91 0.74 0.81 -4.95 119.66 115.16 1fuj s GLN 81 Ca 0.66 0.47 0.09 0.00 0.05 0.00 0.00 55.36 56.63 1fuj s GLN 81 Cb -0.21 -0.12 -0.03 0.00 1.10 0.00 0.00 33.01 33.76 1fuj s GLN 81 CO 0.45 -0.15 -0.23 -1.01 -0.55 0.00 0.00 175.29 173.80 1fuj s HIS 82 N 1.14 2.43 0.07 1.67 3.76 -1.26 -0.46 115.29 122.64 1fuj s HIS 82 Ca -0.08 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1fuj s HIS 82 Cb -0.10 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1fuj s HIS 82 CO -0.07 0.22 0.01 -0.06 -0.85 0.00 0.00 174.74 173.98 1fuj s PHE 83 N -0.90 0.53 0.51 1.40 0.40 -0.47 -4.98 117.98 114.47 1fuj s PHE 83 Ca 0.13 -1.04 0.07 0.00 -0.60 0.00 0.00 56.93 55.49 1fuj s PHE 83 Cb -0.10 -0.36 0.03 0.00 0.51 0.00 0.00 43.02 43.09 1fuj s PHE 83 CO 0.04 -0.42 0.44 -1.54 0.70 0.00 0.00 175.22 174.45 1fuj s SER 84 N -2.93 4.80 -0.13 1.36 1.04 -1.26 -1.17 113.70 115.40 1fuj s SER 84 Ca 0.09 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.32 1fuj s SER 84 Cb 0.08 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1fuj s SER 84 CO -0.08 -1.00 0.35 -0.69 0.98 0.00 0.00 173.24 172.80 1fuj s VAL 85 N -2.67 5.25 -0.21 5.02 1.01 -1.25 -0.81 120.40 126.73 1fuj s VAL 85 Ca 0.42 0.69 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 1fuj s VAL 85 Cb -0.03 -3.69 -0.19 0.00 0.00 0.00 0.00 36.38 32.48 1fuj s VAL 85 CO 0.25 0.39 0.14 0.00 0.00 0.00 0.00 175.10 175.88 1fuj n ALA 86 N 3.41 0.86 -3.19 5.51 0.00 0.21 -4.77 120.51 122.53 1fuj n ALA 86 Ca -0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.62 1fuj n ALA 86 Cb 0.52 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1fuj n ALA 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1fuj s GLN 87 N -2.40 1.09 0.06 0.00 0.74 -1.19 -5.01 119.66 112.96 1fuj s GLN 87 Ca -0.30 -0.49 0.07 0.00 0.05 0.00 0.00 55.36 54.69 1fuj s GLN 87 Cb 0.07 0.49 -0.03 0.00 1.10 0.00 0.00 33.01 34.65 1fuj s GLN 87 CO 0.59 -0.43 -0.19 0.14 -0.55 0.00 0.00 175.29 174.85 1fuj s VAL 88 N -3.30 1.51 -0.03 1.34 -7.23 -1.26 -1.49 120.40 109.94 1fuj s VAL 88 Ca -0.01 -1.26 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1fuj s VAL 88 Cb 0.00 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 1fuj s VAL 88 CO -0.08 0.05 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.22 1fuj s PHE 89 N -0.95 1.69 0.21 2.82 0.40 0.01 -4.97 117.98 117.19 1fuj s PHE 89 Ca 0.05 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1fuj s PHE 89 Cb -0.09 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 1fuj s PHE 89 CO 0.02 -0.12 0.03 -0.51 0.70 0.00 0.00 175.22 175.35 1fuj s LEU 90 N -0.12 1.96 -0.35 -0.37 1.43 -1.26 -0.35 118.68 119.61 1fuj s LEU 90 Ca -0.00 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1fuj s LEU 90 Cb -0.10 -0.06 0.13 0.00 0.03 0.00 0.00 46.19 46.19 1fuj s LEU 90 CO 0.01 -0.61 0.19 0.21 0.23 0.00 0.00 176.35 176.38 1fuj s ASN 92 N -3.24 3.27 -1.49 2.29 3.04 -1.26 -4.95 114.94 112.60 1fuj s ASN 92 Ca 0.29 -2.03 -0.11 0.00 0.04 0.00 0.00 52.86 51.05 1fuj s ASN 92 Cb 0.07 -0.52 0.07 0.00 -1.54 0.00 0.00 41.25 39.32 1fuj s ASN 92 CO 0.08 -0.34 0.88 0.59 -3.04 0.00 0.00 177.10 175.27 1fuj n ASN 93 N 4.27 -3.68 -4.71 -4.21 5.03 -1.26 -4.80 115.26 105.89 1fuj n ASN 93 Ca 0.07 -0.82 -0.42 0.00 0.87 0.00 0.00 54.58 54.28 1fuj n ASN 93 Cb 0.38 -3.78 -0.03 0.00 -1.02 0.00 0.00 39.78 35.33 1fuj n ASN 93 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1fuj s TYR 94 N -3.42 2.73 -0.39 3.10 5.04 -1.26 -4.62 117.35 118.53 1fuj s TYR 94 Ca 0.50 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1fuj s TYR 94 Cb -0.25 -4.02 0.11 0.00 0.35 0.00 0.00 41.96 38.15 1fuj s TYR 94 CO 0.84 -3.93 0.17 0.34 -1.34 0.00 0.00 175.55 171.63 1fuj s ASP 95 N 1.72 5.13 0.51 4.32 2.15 0.65 -4.99 116.67 126.17 1fuj s ASP 95 Ca 0.74 -2.06 0.30 0.00 0.43 0.00 0.00 52.55 51.95 1fuj s ASP 95 Cb -0.44 -1.78 1.13 0.00 -0.30 0.00 0.00 42.92 41.52 1fuj s ASP 95 CO 0.32 -0.50 1.90 0.00 -0.17 0.00 0.00 175.17 176.72 1fuj h ALA 96 N 7.94 1.00 0.06 3.66 0.00 -1.94 0.41 119.26 130.40 1fuj h ALA 96 Ca -0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 1fuj h ALA 96 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1fuj h ALA 96 CO 0.65 0.08 -1.26 1.05 0.00 0.00 0.00 179.25 179.78 1fuj h GLU 97 N 0.00 0.12 0.00 0.00 4.11 -1.96 -3.31 114.58 113.54 1fuj h GLU 97 Ca -0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1fuj h GLU 97 Cb 0.64 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1fuj h GLU 97 CO 0.01 1.02 -0.95 0.09 0.07 0.00 0.00 179.01 179.24 1fuj n ASN 98 N -3.38 0.81 -3.11 3.06 3.02 -1.23 -4.99 115.26 109.45 1fuj n ASN 98 Ca -0.08 -0.72 -0.17 0.00 -0.03 0.00 0.00 54.58 53.58 1fuj n ASN 98 Cb 1.00 0.88 0.07 0.00 -0.61 0.00 0.00 39.78 41.12 1fuj n ASN 98 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fuj n LYS 99 N -1.58 -6.18 -4.11 3.52 5.02 0.13 -5.02 118.16 109.94 1fuj n LYS 99 Ca 0.04 0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 1fuj n LYS 99 Cb 0.35 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 29.91 1fuj n LYS 99 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fuj s LEU 100 N -6.02 3.70 -1.36 -0.35 1.43 -0.46 -4.60 118.68 111.01 1fuj s LEU 100 Ca 0.22 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1fuj s LEU 100 Cb -0.10 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1fuj s LEU 100 CO 0.62 0.21 1.09 0.59 0.23 0.00 0.00 176.35 179.09 1fuj n ASN 101 N 0.76 -5.05 -3.92 2.29 5.03 -1.26 -0.25 115.26 112.86 1fuj n ASN 101 Ca -0.11 -0.62 -0.42 0.00 0.87 0.00 0.00 54.58 54.31 1fuj n ASN 101 Cb 0.52 -4.77 -0.01 0.00 -1.02 0.00 0.00 39.78 34.49 1fuj n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1fuj n ASP 102 N -3.01 3.80 -3.87 6.41 2.03 -1.26 -4.13 116.55 116.52 1fuj n ASP 102 Ca -0.05 -2.82 -0.12 0.00 0.52 0.00 0.00 54.79 52.32 1fuj n ASP 102 Cb 0.58 -1.59 -0.14 0.00 -0.72 0.00 0.00 41.12 39.26 1fuj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fuj s ILE 103 N 4.15 0.00 -0.13 5.18 2.07 -1.26 -3.90 121.20 127.32 1fuj s ILE 103 Ca 0.51 -0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.63 1fuj s ILE 103 Cb 0.11 -0.03 0.04 0.00 0.13 0.00 0.00 42.46 42.71 1fuj s ILE 103 CO -0.01 -0.01 0.32 -0.22 -1.91 0.00 0.00 174.94 173.11 1fuj s LEU 104 N -0.03 0.56 -0.21 8.50 0.20 0.19 -4.18 118.68 123.70 1fuj s LEU 104 Ca -0.00 0.66 -0.06 0.00 0.69 0.00 0.00 54.13 55.42 1fuj s LEU 104 Cb -0.00 1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 46.79 1fuj s LEU 104 CO -0.00 -0.14 0.03 -0.76 -0.29 0.00 0.00 176.35 175.19 1fuj s LEU 105 N 0.59 3.42 -0.26 -0.68 1.43 0.52 -1.36 118.68 122.34 1fuj s LEU 105 Ca -0.03 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1fuj s LEU 105 Cb -0.05 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1fuj s LEU 105 CO -0.04 0.06 0.11 -0.63 0.23 0.00 0.00 176.35 176.09 1fuj s ILE 106 N 1.02 4.61 -0.40 -0.59 1.01 0.16 -0.81 121.20 126.19 1fuj s ILE 106 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1fuj s ILE 106 Cb -0.14 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1fuj s ILE 106 CO 0.02 0.29 0.85 -1.58 0.00 0.00 0.00 174.94 174.53 1fuj s GLN 107 N 1.66 3.66 0.76 2.79 0.74 -0.56 0.10 119.66 128.81 1fuj s GLN 107 Ca 0.06 0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.60 1fuj s GLN 107 Cb -0.15 -3.86 0.06 0.00 1.10 0.00 0.00 33.01 30.15 1fuj s GLN 107 CO 0.06 -1.02 1.23 -0.51 -0.55 0.00 0.00 175.29 174.50 1fuj s LEU 108 N 3.39 3.25 0.55 3.68 1.43 -0.89 -0.62 118.68 129.48 1fuj s LEU 108 Ca 0.34 2.43 0.23 0.00 -1.03 0.00 0.00 54.13 56.09 1fuj s LEU 108 Cb -0.12 -4.60 1.51 0.00 0.03 0.00 0.00 46.19 43.02 1fuj s LEU 108 CO 0.21 -2.49 2.19 0.77 0.23 0.00 0.00 176.35 177.25 1fuj h SER 109 N -0.53 0.00 -5.02 2.29 4.64 -1.27 -3.40 113.55 110.26 1fuj h SER 109 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 1fuj h SER 109 Cb 1.31 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.25 1fuj h SER 109 CO 0.48 0.02 0.07 -0.94 -0.87 0.00 0.00 176.83 175.58 1fuj s SER 110 N -6.62 -0.45 0.45 4.97 1.04 -1.26 -4.97 113.70 106.87 1fuj s SER 110 Ca -0.05 0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 1fuj s SER 110 Cb 0.16 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.72 1fuj s SER 110 CO 0.61 -0.80 1.29 -2.84 0.98 0.00 0.00 173.24 172.49 1fuj s PRO 111 N -2.93 3.70 0.59 4.02 0.02 -1.26 -4.78 135.00 134.37 1fuj s PRO 111 Ca -0.03 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 62.94 1fuj s PRO 111 Cb -0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 1fuj s PRO 111 CO -0.06 -0.69 1.04 0.00 -0.33 0.00 0.00 177.00 176.97 1fuj s ALA 112 N -1.34 2.80 -0.40 -1.55 0.00 0.34 -4.93 121.76 116.69 1fuj s ALA 112 Ca 0.62 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1fuj s ALA 112 Cb -0.37 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1fuj s ALA 112 CO 0.46 -0.74 0.22 -0.80 0.00 0.00 0.00 175.76 174.89 1fuj s ASN 113 N -2.96 5.57 0.09 0.00 0.02 -1.26 -4.90 114.94 111.50 1fuj s ASN 113 Ca 0.62 -1.38 -0.31 0.00 -1.02 0.00 0.00 52.86 50.77 1fuj s ASN 113 Cb -0.15 -1.96 -0.09 0.00 0.02 0.00 0.00 41.25 39.07 1fuj s ASN 113 CO 0.38 -0.47 1.71 -0.76 0.02 0.00 0.00 177.10 177.98 1fuj s LEU 114 N 1.43 4.38 0.00 0.60 1.43 -1.26 -4.84 118.68 120.41 1fuj s LEU 114 Ca 0.02 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1fuj s LEU 114 Cb -0.22 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1fuj s LEU 114 CO 0.03 -0.93 0.00 -1.54 0.23 0.00 0.00 176.35 174.14 1fuj n SER 115 N 5.65 0.09 0.24 2.29 3.41 -0.37 -5.00 113.62 119.93 1fuj n SER 115 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1fuj n SER 115 Cb 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1fuj n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fuj h ALA 116 N 1.00 -0.84 0.00 7.33 0.00 -1.98 -3.32 119.26 121.45 1fuj h ALA 116 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fuj h ALA 116 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fuj h ALA 116 CO 0.00 -0.79 0.00 0.66 0.00 0.00 0.00 179.25 179.12 1fuj h SER 117 N -0.89 0.00 -3.22 0.00 4.64 -1.92 -3.42 113.55 108.75 1fuj h SER 117 Ca -0.07 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.70 1fuj h SER 117 Cb 0.50 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.22 1fuj h SER 117 CO 0.11 0.00 -0.81 -0.69 -0.87 0.00 0.00 176.83 174.57 1fuj s VAL 118 N -3.58 1.16 0.13 0.95 1.01 -1.25 -3.98 120.40 114.85 1fuj s VAL 118 Ca 0.01 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1fuj s VAL 118 Cb 0.09 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.32 1fuj s VAL 118 CO 0.41 0.31 0.52 0.00 0.00 0.00 0.00 175.10 176.34 1fuj s ALA 119 N 1.64 -1.33 0.54 5.51 0.00 -0.25 -1.24 121.76 126.63 1fuj s ALA 119 Ca 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 1fuj s ALA 119 Cb -0.13 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1fuj s ALA 119 CO -0.08 -0.69 0.85 0.95 0.00 0.00 0.00 175.76 176.78 1fuj s THR 120 N -3.60 4.17 0.13 0.00 -4.23 -1.26 -3.07 115.64 107.77 1fuj s THR 120 Ca 0.01 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1fuj s THR 120 Cb 0.00 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1fuj s THR 120 CO -0.11 -0.62 -0.19 0.54 -0.54 0.00 0.00 174.62 173.70 1fuj s VAL 121 N -2.87 1.71 0.29 2.29 0.11 -0.83 -4.86 120.40 116.23 1fuj s VAL 121 Ca 0.51 -1.71 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 1fuj s VAL 121 Cb -0.10 -1.66 -0.07 0.00 -1.53 0.00 0.00 36.38 33.01 1fuj s VAL 121 CO 0.45 -0.20 0.64 -1.10 -3.33 0.00 0.00 175.10 171.55 1fuj s GLN 122 N -2.34 3.84 0.27 1.54 -1.52 -1.26 -4.63 119.66 115.56 1fuj s GLN 122 Ca 0.10 0.39 -0.08 0.00 -1.95 0.00 0.00 55.36 53.82 1fuj s GLN 122 Cb -0.08 -2.55 -0.06 0.00 -0.22 0.00 0.00 33.01 30.10 1fuj s GLN 122 CO 0.05 0.21 0.57 -0.51 -0.25 0.00 0.00 175.29 175.36 1fuj s LEU 123 N -3.09 4.10 0.00 2.90 1.43 -1.26 -1.95 118.68 120.81 1fuj s LEU 123 Ca 0.50 0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 54.34 1fuj s LEU 123 Cb -0.11 -3.66 0.17 0.00 0.03 0.00 0.00 46.19 42.62 1fuj s LEU 123 CO 0.22 -0.15 0.97 -0.81 0.23 0.00 0.00 176.35 176.81 1fuj n PRO 124 N -0.53 -1.15 -3.29 1.29 -0.04 -1.26 -4.91 135.00 125.11 1fuj n PRO 124 Ca -0.00 -1.50 -0.26 0.00 -0.04 0.00 0.00 63.50 61.70 1fuj n PRO 124 Cb 0.53 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 1fuj n PRO 124 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1fuj s GLN 125 N -5.12 3.53 0.21 0.54 -1.52 -1.26 -4.91 119.66 111.13 1fuj s GLN 125 Ca 0.56 -0.18 -0.32 0.00 -1.95 0.00 0.00 55.36 53.47 1fuj s GLN 125 Cb -0.02 -2.63 -0.12 0.00 -0.22 0.00 0.00 33.01 30.02 1fuj s GLN 125 CO 0.39 0.13 1.71 -1.14 -0.25 0.00 0.00 175.29 176.13 1fuj s GLN 126 N -4.13 4.13 -1.52 2.91 2.00 -1.26 -1.68 119.66 120.11 1fuj s GLN 126 Ca 0.42 2.59 0.00 0.00 -2.00 0.00 0.00 55.36 56.37 1fuj s GLN 126 Cb -0.10 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.63 1fuj s GLN 126 CO 0.35 -0.74 0.00 -0.25 -0.50 0.00 0.00 175.29 174.15 1fuj n ASP 127 N 3.92 -4.77 -4.76 6.67 8.00 0.97 -4.96 116.55 121.63 1fuj n ASP 127 Ca 0.16 0.35 -0.39 0.00 0.71 0.00 0.00 54.79 55.62 1fuj n ASP 127 Cb 0.35 -3.52 -0.05 0.00 -0.02 0.00 0.00 41.12 37.89 1fuj n ASP 127 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1fuj s GLN 128 N -3.20 4.56 0.31 -1.24 0.74 -0.68 -5.00 119.66 115.15 1fuj s GLN 128 Ca 0.00 1.68 -0.12 0.00 0.05 0.00 0.00 55.36 56.96 1fuj s GLN 128 Cb 0.00 -3.04 -0.08 0.00 1.10 0.00 0.00 33.01 30.99 1fuj s GLN 128 CO 0.00 0.18 0.68 -1.25 -0.55 0.00 0.00 175.29 174.35 1fuj s PRO 129 N -1.67 3.89 -0.37 1.67 0.04 -1.26 -4.77 135.00 132.53 1fuj s PRO 129 Ca 0.47 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1fuj s PRO 129 Cb -0.28 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 31.89 1fuj s PRO 129 CO 0.36 0.17 0.18 0.08 0.04 0.00 0.00 177.00 177.83 1fuj s VAL 130 N -2.01 0.89 0.89 -0.36 1.01 -1.26 -5.14 120.40 114.43 1fuj s VAL 130 Ca 0.51 -1.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 1fuj s VAL 130 Cb -0.10 -1.65 0.13 0.00 0.00 0.00 0.00 36.38 34.76 1fuj s VAL 130 CO 0.21 -0.84 1.10 -2.16 0.00 0.00 0.00 175.10 173.41 1fuj s PRO 131 N 0.99 1.25 0.40 2.72 0.04 -1.26 -4.92 135.00 134.22 1fuj s PRO 131 Ca 0.15 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 1fuj s PRO 131 Cb -0.22 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1fuj s PRO 131 CO -0.09 -2.34 1.37 -1.58 0.04 0.00 0.00 177.00 174.40 1fuj s HIS 132 N -2.79 2.70 0.00 0.56 5.65 -1.26 -1.56 115.29 118.58 1fuj s HIS 132 Ca 0.64 1.32 0.00 0.00 0.25 0.00 0.00 55.06 57.28 1fuj s HIS 132 Cb -0.20 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 1fuj s HIS 132 CO 0.58 -2.47 0.00 0.41 -0.65 0.00 0.00 174.74 172.60 1fuj n GLY 133 N 0.62 3.17 3.67 1.59 0.00 0.51 -4.98 105.19 109.78 1fuj n GLY 133 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1fuj n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fuj n THR 134 N -2.00 0.62 -2.61 2.61 -2.24 -0.60 -4.69 114.28 105.37 1fuj n THR 134 Ca 0.00 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1fuj n THR 134 Cb 0.00 -2.13 -0.02 0.00 -2.10 0.00 0.00 70.33 66.08 1fuj n THR 134 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1fuj s GLN 135 N 3.95 4.03 0.44 -0.78 -0.44 -1.26 -0.98 119.66 124.62 1fuj s GLN 135 Ca 0.89 1.06 0.03 0.00 -2.50 0.00 0.00 55.36 54.84 1fuj s GLN 135 Cb -0.53 -3.76 -0.03 0.00 -1.64 0.00 0.00 33.01 27.06 1fuj s GLN 135 CO 0.44 -0.95 0.08 0.00 0.50 0.00 0.00 175.29 175.35 1fuj s LEU 137 N -3.70 1.98 0.14 0.00 2.96 0.41 0.75 118.68 121.23 1fuj s LEU 137 Ca 0.19 -0.44 0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1fuj s LEU 137 Cb 0.03 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1fuj s LEU 137 CO 0.11 0.19 -0.24 0.00 -1.32 0.00 0.00 176.35 175.09 1fuj s ALA 138 N 0.01 2.22 0.10 5.97 0.00 0.22 -1.02 121.76 129.26 1fuj s ALA 138 Ca -0.06 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.24 1fuj s ALA 138 Cb -0.13 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1fuj s ALA 138 CO 0.04 0.44 0.52 0.00 0.00 0.00 0.00 175.76 176.75 1fuj s MET 139 N -2.22 1.11 0.00 0.00 0.23 -1.26 0.19 119.30 117.35 1fuj s MET 139 Ca 0.14 -0.41 0.00 0.00 -1.03 0.00 0.00 55.69 54.39 1fuj s MET 139 Cb -0.09 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 1fuj s MET 139 CO 0.06 -0.43 0.00 0.41 -2.03 0.00 0.00 175.02 173.03 1fuj n GLY 140 N 0.04 -1.87 1.24 3.16 0.00 0.18 -4.60 105.19 103.34 1fuj n GLY 140 Ca -0.17 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 1fuj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fuj n TRP 141 N 0.32 1.21 -1.86 1.61 8.01 -1.26 -1.22 117.44 124.25 1fuj n TRP 141 Ca 0.00 -1.71 -0.24 0.00 -1.31 0.00 0.00 57.50 54.24 1fuj n TRP 141 Cb 0.00 -0.50 0.16 0.00 -2.01 0.00 0.00 31.31 28.96 1fuj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fuj n GLY 142 N -1.09 -1.20 3.74 6.99 0.00 -1.26 -3.27 105.19 109.11 1fuj n GLY 142 Ca 0.34 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1fuj n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fuj n ARG 143 N -3.26 2.43 -0.55 1.61 1.74 0.12 -2.27 116.66 116.48 1fuj n ARG 143 Ca 0.14 0.85 0.06 0.00 -0.77 0.00 0.00 57.85 58.13 1fuj n ARG 143 Cb 0.48 -2.53 0.28 0.00 -1.02 0.00 0.00 32.46 29.67 1fuj n ARG 143 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1fuj n VAL 144 N 0.36 1.67 0.00 1.55 0.24 -1.20 -2.68 118.33 118.27 1fuj n VAL 144 Ca 0.03 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1fuj n VAL 144 Cb 0.38 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1fuj n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fuj n GLY 145 N 0.66 3.02 0.79 7.63 0.00 -1.26 -4.47 105.19 111.56 1fuj n GLY 145 Ca 0.19 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.99 1fuj n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj n ALA 146 N -1.42 2.68 0.18 4.61 0.00 -1.26 -4.03 120.51 121.27 1fuj n ALA 146 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 53.44 52.85 1fuj n ALA 146 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1fuj n ALA 146 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1fuj n HIS 147 N 0.41 0.00 -4.07 0.00 1.44 -1.26 -5.03 115.22 106.71 1fuj n HIS 147 Ca 0.12 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.72 1fuj n HIS 147 Cb 0.41 -0.29 -0.07 0.00 0.12 0.00 0.00 29.99 30.17 1fuj n HIS 147 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1fuj s ASP 148 N -3.58 0.07 1.01 4.39 1.01 -1.26 -5.17 116.67 113.14 1fuj s ASP 148 Ca -0.03 -1.11 -0.18 0.00 0.71 0.00 0.00 52.55 51.94 1fuj s ASP 148 Cb 0.11 0.53 0.06 0.00 1.01 0.00 0.00 42.92 44.63 1fuj s ASP 148 CO 0.69 -1.07 -0.22 -2.65 0.21 0.00 0.00 175.17 172.13 1fuj n PRO 150 N -0.36 -1.40 -1.19 8.23 -0.02 -1.26 -4.51 135.00 134.48 1fuj n PRO 150 Ca -0.00 -0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 60.77 1fuj n PRO 150 Cb 0.63 -1.42 0.24 0.00 -0.02 0.00 0.00 33.50 32.93 1fuj n PRO 150 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1fuj s PRO 151 N -3.04 -1.07 0.03 0.52 0.02 -1.26 -3.28 135.00 126.93 1fuj s PRO 151 Ca 0.41 -0.15 -0.29 0.00 0.02 0.00 0.00 61.00 60.99 1fuj s PRO 151 Cb -0.04 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 1fuj s PRO 151 CO 0.50 -3.59 0.95 0.00 -0.33 0.00 0.00 177.00 174.53 1fuj s ALA 152 N -3.13 3.20 -0.09 -1.55 0.00 -0.96 -4.74 121.76 114.49 1fuj s ALA 152 Ca 0.72 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 1fuj s ALA 152 Cb -0.08 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 1fuj s ALA 152 CO 0.56 -0.15 0.72 1.96 0.00 0.00 0.00 175.76 178.85 1fuj h GLN 153 N 6.37 -0.07 -6.29 0.00 4.20 -1.92 -3.45 115.11 113.95 1fuj h GLN 153 Ca -0.42 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.75 1fuj h GLN 153 Cb 1.22 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1fuj h GLN 153 CO 0.74 0.52 -0.24 0.14 -0.67 0.00 0.00 178.83 179.32 1fuj s VAL 154 N -2.69 5.10 0.20 -0.54 -7.23 -1.26 -1.31 120.40 112.67 1fuj s VAL 154 Ca -0.13 0.06 -0.32 0.00 -1.81 0.00 0.00 61.98 59.77 1fuj s VAL 154 Cb -0.01 -3.66 -0.12 0.00 0.56 0.00 0.00 36.38 33.15 1fuj s VAL 154 CO 0.50 -0.09 1.72 -0.11 -0.31 0.00 0.00 175.10 176.81 1fuj n LEU 155 N -0.29 3.91 -4.66 1.32 7.94 -0.75 -4.82 117.00 119.65 1fuj n LEU 155 Ca -0.02 1.06 -0.31 0.00 -1.11 0.00 0.00 56.01 55.63 1fuj n LEU 155 Cb 0.53 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 1fuj n LEU 155 CO 0.48 0.13 -0.35 -1.10 -1.11 0.00 0.00 177.39 175.44 1fuj s GLN 156 N 1.28 2.58 0.07 1.96 -1.52 -0.35 -1.25 119.66 122.42 1fuj s GLN 156 Ca 0.76 -0.77 0.02 0.00 -1.95 0.00 0.00 55.36 53.42 1fuj s GLN 156 Cb -0.52 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 29.69 1fuj s GLN 156 CO 0.33 0.57 -0.08 -1.83 -0.25 0.00 0.00 175.29 174.03 1fuj s GLU 157 N -1.93 0.66 -0.05 2.91 -1.05 0.47 -0.64 118.70 119.06 1fuj s GLU 157 Ca 0.22 -0.97 -0.02 0.00 -0.15 0.00 0.00 54.97 54.05 1fuj s GLU 157 Cb -0.11 -0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.28 1fuj s GLU 157 CO 0.14 0.05 0.11 -1.17 0.95 0.00 0.00 175.26 175.33 1fuj s LEU 158 N -2.07 0.51 -0.23 1.83 2.96 0.50 0.16 118.68 122.34 1fuj s LEU 158 Ca -0.02 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 1fuj s LEU 158 Cb -0.05 0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.79 1fuj s LEU 158 CO -0.01 -0.19 1.13 0.20 -1.32 0.00 0.00 176.35 176.17 1fuj s ASN 159 N 1.60 7.00 0.42 3.68 -0.87 -1.26 0.71 114.94 126.23 1fuj s ASN 159 Ca -0.04 1.42 0.04 0.00 -1.57 0.00 0.00 52.86 52.72 1fuj s ASN 159 Cb -0.12 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 1fuj s ASN 159 CO -0.05 -0.75 0.03 0.68 -2.57 0.00 0.00 177.10 174.44 1fuj s VAL 160 N 3.42 1.45 -0.08 1.60 -7.23 0.23 -4.93 120.40 114.86 1fuj s VAL 160 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1fuj s VAL 160 Cb -0.17 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1fuj s VAL 160 CO 0.11 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.88 1fuj s THR 161 N -2.92 1.26 0.26 5.32 2.01 -1.20 0.38 115.64 120.74 1fuj s THR 161 Ca 0.26 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1fuj s THR 161 Cb 0.07 -1.15 -0.11 0.00 0.01 0.00 0.00 72.50 71.32 1fuj s THR 161 CO 0.13 0.39 1.56 -0.69 -0.69 0.00 0.00 174.62 175.31 1fuj s VAL 162 N 0.78 2.30 0.14 3.82 1.01 -0.15 -1.97 120.40 126.33 1fuj s VAL 162 Ca -0.12 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1fuj s VAL 162 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1fuj s VAL 162 CO 0.02 0.03 -0.08 0.68 0.00 0.00 0.00 175.10 175.76 1fuj s VAL 163 N 0.23 0.98 0.00 2.92 -7.23 0.04 -0.36 120.40 116.98 1fuj s VAL 163 Ca 0.64 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1fuj s VAL 163 Cb -0.46 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1fuj s VAL 163 CO 0.43 -0.74 0.30 0.35 -0.31 0.00 0.00 175.10 175.14 1fuj n THR 164 N -0.17 0.00 -2.41 5.32 -2.24 -1.26 -3.81 114.28 109.71 1fuj n THR 164 Ca -0.10 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1fuj n THR 164 Cb 0.61 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1fuj n THR 164 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1fuj s PHE 165 N -0.31 3.44 -1.49 4.78 -0.71 -1.26 -2.95 117.98 119.48 1fuj s PHE 165 Ca 0.00 1.34 -0.03 0.00 -1.04 0.00 0.00 56.93 57.20 1fuj s PHE 165 Cb 0.00 -3.42 0.01 0.00 -1.21 0.00 0.00 43.02 38.41 1fuj s PHE 165 CO 0.00 -1.24 0.30 0.34 -1.34 0.00 0.00 175.22 173.28 1fuj n PHE 166 N 3.50 -1.56 -4.58 3.49 7.35 -1.26 -4.77 117.46 119.63 1fuj n PHE 166 Ca 0.08 0.27 -0.31 0.00 -0.76 0.00 0.00 57.45 56.72 1fuj n PHE 166 Cb 0.46 -3.80 -0.05 0.00 0.35 0.00 0.00 39.48 36.44 1fuj n PHE 166 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fuj s ARG 177 N -3.91 0.50 0.42 0.00 3.52 -1.26 -5.05 118.95 113.18 1fuj s ARG 177 Ca 0.06 -0.36 0.15 0.00 -0.13 0.00 0.00 55.73 55.45 1fuj s ARG 177 Cb -0.00 -0.44 1.03 0.00 -1.56 0.00 0.00 34.95 33.98 1fuj s ARG 177 CO 0.04 0.11 1.93 -1.35 -0.81 0.00 0.00 175.30 175.22 1fuj h PRO 178 N 5.59 0.42 0.00 5.12 0.11 -2.01 -1.52 132.00 139.72 1fuj h PRO 178 Ca -0.30 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1fuj h PRO 178 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fuj h PRO 178 CO 0.48 0.28 -0.05 1.25 -0.21 0.00 0.00 178.00 179.75 1fuj h HIS 179 N 0.44 0.00 -1.78 0.65 6.17 -1.97 -3.44 115.15 115.21 1fuj h HIS 179 Ca 0.35 0.00 -0.57 0.00 0.71 0.00 0.00 60.37 60.86 1fuj h HIS 179 Cb 0.75 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 30.59 1fuj h HIS 179 CO -0.00 0.05 -0.56 -0.80 0.71 0.00 0.00 177.93 177.33 1fuj s ASN 180 N -6.20 4.35 -0.09 3.26 -0.87 -0.57 -3.80 114.94 111.02 1fuj s ASN 180 Ca -0.04 -1.00 0.03 0.00 -1.57 0.00 0.00 52.86 50.28 1fuj s ASN 180 Cb 0.14 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.25 40.81 1fuj s ASN 180 CO 0.57 -0.37 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.93 1fuj s ILE 181 N -2.54 2.79 0.15 0.60 1.01 -0.69 -4.66 121.20 117.87 1fuj s ILE 181 Ca 0.38 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 60.35 1fuj s ILE 181 Cb 0.01 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1fuj s ILE 181 CO 0.21 0.56 -0.26 0.00 0.00 0.00 0.00 174.94 175.45 1fuj s THR 183 N -1.24 0.39 -0.23 0.00 -4.23 -0.59 -0.78 115.64 108.97 1fuj s THR 183 Ca 0.16 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 1fuj s THR 183 Cb -0.09 -2.57 0.15 0.00 1.34 0.00 0.00 72.50 71.33 1fuj s THR 183 CO 0.07 0.00 1.16 0.12 -0.54 0.00 0.00 174.62 175.43 1fuj s PHE 184 N -3.74 -0.24 -0.36 3.99 5.36 -0.83 -1.07 117.98 121.09 1fuj s PHE 184 Ca 0.37 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 56.78 1fuj s PHE 184 Cb 0.06 0.46 0.09 0.00 -0.34 0.00 0.00 43.02 43.29 1fuj s PHE 184 CO 0.15 -0.20 0.10 0.08 -1.46 0.00 0.00 175.22 173.90 1fuj s VAL 185 N -0.81 3.04 -1.10 3.12 1.01 -1.26 -3.23 120.40 121.17 1fuj s VAL 185 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1fuj s VAL 185 Cb -0.02 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1fuj s VAL 185 CO -0.04 -0.45 0.04 -2.65 0.00 0.00 0.00 175.10 172.00 1fuj n PRO 186 N 4.56 0.00 -0.65 2.72 -0.02 -1.26 -4.77 135.00 135.58 1fuj n PRO 186 Ca -0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.31 1fuj n PRO 186 Cb 0.42 -1.08 0.01 0.00 -0.02 0.00 0.00 33.50 32.83 1fuj n PRO 186 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1fuj n ARG 186 N -0.35 0.00 -2.20 -0.52 1.85 -1.26 -5.14 116.66 109.04 1fuj n ARG 186 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 1fuj n ARG 186 Cb 0.00 -0.77 -0.03 0.00 -1.05 0.00 0.00 32.46 30.61 1fuj n ARG 186 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1fuj s LYS 187 N -1.55 3.02 -0.11 2.89 2.47 -1.26 -4.90 119.74 120.30 1fuj s LYS 187 Ca 0.10 0.62 -0.29 0.00 -1.56 0.00 0.00 55.97 54.84 1fuj s LYS 187 Cb 0.03 -4.25 0.07 0.00 -1.46 0.00 0.00 37.83 32.23 1fuj s LYS 187 CO 0.19 -2.27 0.71 0.00 0.16 0.00 0.00 175.35 174.15 1fuj s ALA 188 N 7.41 -1.78 0.00 3.13 0.00 -1.26 -4.13 121.76 125.13 1fuj s ALA 188 Ca 0.61 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1fuj s ALA 188 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1fuj s ALA 188 CO 0.24 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1fuj n GLY 189 N 1.36 -0.46 3.82 0.00 0.00 -0.57 -4.56 105.19 104.79 1fuj n GLY 189 Ca -0.17 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1fuj n GLY 189 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fuj s ILE 190 N -2.00 4.05 0.09 -0.61 -4.36 -1.26 0.28 121.20 117.39 1fuj s ILE 190 Ca 0.00 0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 61.04 1fuj s ILE 190 Cb 0.00 -3.41 0.01 0.00 1.25 0.00 0.00 42.46 40.30 1fuj s ILE 190 CO 0.00 -0.87 0.15 0.00 0.24 0.00 0.00 174.94 174.46 1fuj s PHE 192 N -5.36 1.85 0.00 0.00 0.08 -1.26 -1.00 117.98 112.29 1fuj s PHE 192 Ca 0.06 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1fuj s PHE 192 Cb -0.01 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.33 1fuj s PHE 192 CO 0.05 -4.74 0.00 0.41 -0.10 0.00 0.00 175.22 170.84 1fuj n GLY 193 N 4.28 2.18 0.02 4.36 0.00 -1.26 0.14 105.19 114.92 1fuj n GLY 193 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1fuj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fuj n ASP 194 N 0.00 0.21 -4.62 1.61 8.00 -0.17 -3.74 116.55 117.85 1fuj n ASP 194 Ca 0.00 0.45 -0.49 0.00 0.71 0.00 0.00 54.79 55.46 1fuj n ASP 194 Cb 0.00 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1fuj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fuj n SER 195 N -1.66 2.05 0.00 -2.24 7.64 -1.26 -2.39 113.62 115.75 1fuj n SER 195 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1fuj n SER 195 Cb 0.36 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1fuj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fuj n GLY 196 N 2.53 3.05 3.55 0.23 0.00 0.03 0.24 105.19 114.83 1fuj n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1fuj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fuj s GLY 197 N -2.04 1.54 0.41 -0.02 0.00 -1.01 -3.45 107.32 102.74 1fuj s GLY 197 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1fuj s GLY 197 CO 0.00 0.24 0.62 2.56 0.00 0.00 0.00 173.10 176.52 1fuj s PRO 198 N -4.95 3.24 -0.29 2.90 0.04 -1.26 -2.15 135.00 132.54 1fuj s PRO 198 Ca 0.68 -0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 1fuj s PRO 198 Cb -0.17 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.80 1fuj s PRO 198 CO 0.59 -0.09 -0.01 -1.17 0.04 0.00 0.00 177.00 176.36 1fuj s LEU 199 N -4.45 3.71 -0.30 -3.56 2.96 0.18 -4.15 118.68 113.07 1fuj s LEU 199 Ca 0.45 -1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.12 1fuj s LEU 199 Cb -0.10 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1fuj s LEU 199 CO 0.37 -0.22 0.24 -0.63 -1.32 0.00 0.00 176.35 174.79 1fuj s ILE 200 N 1.30 5.27 -0.23 6.68 -1.09 -0.18 -0.77 121.20 132.18 1fuj s ILE 200 Ca -0.03 0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 1fuj s ILE 200 Cb -0.19 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1fuj s ILE 200 CO -0.02 0.13 -0.07 0.00 -1.23 0.00 0.00 174.94 173.76 1fuj n ASP 202 N 4.65 -3.83 -1.22 0.00 8.00 -1.26 -2.90 116.55 120.00 1fuj n ASP 202 Ca -0.13 -0.42 -0.16 0.00 0.71 0.00 0.00 54.79 54.79 1fuj n ASP 202 Cb 0.45 -3.83 -0.07 0.00 -0.02 0.00 0.00 41.12 37.65 1fuj n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fuj n GLY 207 N -1.38 1.53 3.39 0.44 0.00 -1.26 -4.99 105.19 102.91 1fuj n GLY 207 Ca -0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1fuj n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fuj s ILE 208 N -2.37 2.26 -0.30 -0.61 -1.09 -1.14 -4.40 121.20 113.54 1fuj s ILE 208 Ca 0.00 -1.69 -0.21 0.00 -2.23 0.00 0.00 60.65 56.52 1fuj s ILE 208 Cb 0.00 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.89 1fuj s ILE 208 CO 0.00 0.14 0.66 -0.51 -1.23 0.00 0.00 174.94 174.00 1fuj s ILE 209 N -1.02 4.91 -0.06 2.92 2.07 -0.82 -0.98 121.20 128.22 1fuj s ILE 209 Ca 0.14 0.93 0.17 0.00 -1.41 0.00 0.00 60.65 60.48 1fuj s ILE 209 Cb -0.10 -4.03 -0.26 0.00 0.13 0.00 0.00 42.46 38.20 1fuj s ILE 209 CO 0.05 -0.16 0.39 0.00 -1.91 0.00 0.00 174.94 173.31 1fuj n GLN 210 N 5.95 0.56 -4.05 3.50 1.13 0.05 -4.02 117.38 120.49 1fuj n GLN 210 Ca 0.00 -0.15 -0.10 0.00 -1.94 0.00 0.00 57.00 54.81 1fuj n GLN 210 Cb 0.49 -1.40 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 1fuj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1fuj s GLY 211 N -3.89 0.84 -0.05 1.08 0.00 -1.18 -1.27 107.32 102.85 1fuj s GLY 211 Ca -0.06 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1fuj s GLY 211 CO 0.70 -0.83 -0.04 -0.42 0.00 0.00 0.00 173.10 172.51 1fuj s ILE 212 N -3.93 0.53 -0.31 0.90 1.01 -0.98 0.49 121.20 118.92 1fuj s ILE 212 Ca 0.27 -0.11 -0.34 0.00 0.00 0.00 0.00 60.65 60.47 1fuj s ILE 212 Cb 0.01 -0.56 -0.10 0.00 0.01 0.00 0.00 42.46 41.82 1fuj s ILE 212 CO 0.11 0.23 2.17 0.47 0.00 0.00 0.00 174.94 177.91 1fuj n ASP 213 N 4.09 2.40 -0.05 3.58 9.92 -0.91 -0.35 116.55 135.23 1fuj n ASP 213 Ca -0.24 0.43 -0.10 0.00 -0.53 0.00 0.00 54.79 54.34 1fuj n ASP 213 Cb 0.51 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1fuj n ASP 213 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1fuj n SER 214 N 9.86 1.05 -3.45 -2.24 2.88 -0.89 -0.79 113.62 120.05 1fuj n SER 214 Ca 0.38 0.17 -0.13 0.00 -1.33 0.00 0.00 58.87 57.96 1fuj n SER 214 Cb 0.27 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 1fuj n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fuj s PHE 215 N -2.28 -0.54 0.32 0.66 -0.71 -0.92 -4.96 117.98 109.56 1fuj s PHE 215 Ca -0.16 0.48 0.10 0.00 -1.04 0.00 0.00 56.93 56.31 1fuj s PHE 215 Cb 0.05 0.53 -0.06 0.00 -1.21 0.00 0.00 43.02 42.33 1fuj s PHE 215 CO 0.21 -0.77 -0.13 0.14 -1.34 0.00 0.00 175.22 173.32 1fuj s VAL 216 N -3.17 2.32 -0.15 -2.49 -7.23 -1.26 0.50 120.40 108.92 1fuj s VAL 216 Ca -0.01 -2.28 -0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1fuj s VAL 216 Cb -0.01 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1fuj s VAL 216 CO -0.08 -0.27 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.68 1fuj s ILE 217 N -2.58 2.95 0.00 -0.62 -1.09 -1.26 -4.80 121.20 113.80 1fuj s ILE 217 Ca 0.32 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1fuj s ILE 217 Cb -0.00 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1fuj s ILE 217 CO 0.16 0.51 0.00 1.87 -1.23 0.00 0.00 174.94 176.25 1fuj n TRP 218 N 3.84 0.00 -3.15 3.97 -0.00 -1.26 -4.70 117.44 116.14 1fuj n TRP 218 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 1fuj n TRP 218 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 1fuj n TRP 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1fuj n GLY 219 N 0.00 1.73 3.74 5.87 0.00 -1.26 -5.14 105.19 110.14 1fuj n GLY 219 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1fuj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fuj n ALA 220 N 3.34 -1.80 0.03 0.00 0.00 -1.26 -4.88 120.51 115.94 1fuj n ALA 220 Ca -0.08 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1fuj n ALA 220 Cb 0.52 -3.13 0.59 0.00 0.00 0.00 0.00 19.45 17.43 1fuj n ALA 220 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1fuj h THR 221 N -2.08 0.88 -0.15 0.00 1.35 -1.84 -3.43 112.91 107.66 1fuj h THR 221 Ca -0.59 -0.07 -0.06 0.00 -0.55 0.00 0.00 66.41 65.14 1fuj h THR 221 Cb 1.35 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1fuj h THR 221 CO 0.55 0.04 -0.06 0.54 -0.25 0.00 0.00 175.52 176.33 1fuj n ARG 222 N -4.46 -0.66 0.00 4.72 1.74 -1.26 -4.72 116.66 112.02 1fuj n ARG 222 Ca 0.06 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1fuj n ARG 222 Cb 0.36 -4.08 0.00 0.00 -1.02 0.00 0.00 32.46 27.72 1fuj n ARG 222 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1fuj n LEU 223 N -0.35 1.19 -4.92 0.55 -0.00 -1.26 -5.07 117.00 107.14 1fuj n LEU 223 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.68 1fuj n LEU 223 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.59 1fuj n LEU 223 CO 0.05 0.20 -0.09 -0.36 -0.00 0.00 0.00 177.39 177.18 1fuj s PHE 224 N -1.45 3.50 0.69 1.47 0.08 -1.26 -5.07 117.98 115.94 1fuj s PHE 224 Ca 0.00 0.29 -0.09 0.00 0.12 0.00 0.00 56.93 57.24 1fuj s PHE 224 Cb 0.00 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1fuj s PHE 224 CO 0.00 0.53 1.05 -2.14 -0.10 0.00 0.00 175.22 174.55 1fuj s PRO 225 N -2.75 2.60 -0.05 0.24 0.02 -1.26 -4.68 135.00 129.11 1fuj s PRO 225 Ca 0.36 0.15 -0.15 0.00 0.02 0.00 0.00 61.00 61.39 1fuj s PRO 225 Cb -0.12 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 1fuj s PRO 225 CO 0.28 -1.08 0.38 -0.51 -0.33 0.00 0.00 177.00 175.73 1fuj s ASP 226 N -4.41 6.70 0.06 2.53 1.01 -0.24 -4.55 116.67 117.77 1fuj s ASP 226 Ca 0.58 0.83 -0.06 0.00 0.71 0.00 0.00 52.55 54.62 1fuj s ASP 226 Cb -0.11 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 1fuj s ASP 226 CO 0.48 0.25 0.31 -0.36 0.21 0.00 0.00 175.17 176.06 1fuj s PHE 227 N -0.57 3.55 0.03 4.23 0.40 0.18 -1.54 117.98 124.25 1fuj s PHE 227 Ca 0.22 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 57.14 1fuj s PHE 227 Cb -0.16 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 1fuj s PHE 227 CO 0.11 0.55 -0.06 -0.06 0.70 0.00 0.00 175.22 176.46 1fuj s PHE 228 N -1.43 0.48 0.38 0.36 0.40 0.16 -2.08 117.98 116.25 1fuj s PHE 228 Ca 0.32 -0.42 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 1fuj s PHE 228 Cb -0.13 -0.30 -0.09 0.00 0.51 0.00 0.00 43.02 43.01 1fuj s PHE 228 CO 0.20 -0.10 1.15 0.99 0.70 0.00 0.00 175.22 178.16 1fuj s THR 229 N -1.16 3.25 -0.61 0.64 2.01 0.52 -1.70 115.64 118.59 1fuj s THR 229 Ca -0.10 1.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.77 1fuj s THR 229 Cb -0.08 -3.60 0.10 0.00 0.01 0.00 0.00 72.50 68.93 1fuj s THR 229 CO -0.00 0.11 0.74 -0.60 -0.69 0.00 0.00 174.62 174.18 1fuj s ARG 230 N -2.21 3.07 0.43 4.92 3.52 -1.25 -2.31 118.95 125.13 1fuj s ARG 230 Ca 0.55 -1.31 0.12 0.00 -0.13 0.00 0.00 55.73 54.97 1fuj s ARG 230 Cb -0.30 -4.28 1.00 0.00 -1.56 0.00 0.00 34.95 29.80 1fuj s ARG 230 CO 0.38 -1.57 2.00 0.28 -0.81 0.00 0.00 175.30 175.57 1fuj h VAL 231 N 5.91 0.94 0.00 7.11 2.07 -1.53 -2.74 116.25 128.01 1fuj h VAL 231 Ca -0.27 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1fuj h VAL 231 Cb 1.08 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1fuj h VAL 231 CO 1.10 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.77 1fuj h ALA 232 N 1.71 1.00 -0.11 1.67 0.00 -1.84 -1.13 119.26 120.56 1fuj h ALA 232 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1fuj h ALA 232 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1fuj h ALA 232 CO -0.07 0.00 -0.50 -0.07 0.00 0.00 0.00 179.25 178.61 1fuj h LEU 233 N 0.00 0.32 -3.00 0.00 3.38 -1.80 0.28 115.31 114.49 1fuj h LEU 233 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1fuj h LEU 233 Cb 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1fuj h LEU 233 CO 0.00 0.77 0.00 -1.22 0.09 0.00 0.00 178.44 178.08 1fuj n TYR 234 N -3.96 0.87 -0.25 1.13 4.02 -0.44 -4.67 117.16 113.87 1fuj n TYR 234 Ca -0.02 -0.60 0.05 0.00 -0.01 0.00 0.00 57.90 57.32 1fuj n TYR 234 Cb 0.55 -0.13 0.18 0.00 -0.02 0.00 0.00 39.34 39.92 1fuj n TYR 234 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1fuj h VAL 235 N 2.78 0.56 -0.49 -0.72 2.07 -1.60 0.10 116.25 118.96 1fuj h VAL 235 Ca 0.00 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1fuj h VAL 235 Cb 1.08 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1fuj h VAL 235 CO 0.10 0.06 -0.05 0.44 0.02 0.00 0.00 177.57 178.13 1fuj h ASP 236 N 0.31 0.83 -0.16 0.57 5.19 -1.87 -0.58 116.42 120.71 1fuj h ASP 236 Ca 0.41 -0.23 -0.19 0.00 -0.62 0.00 0.00 57.03 56.39 1fuj h ASP 236 Cb 0.67 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1fuj h ASP 236 CO -0.47 0.92 -0.63 -0.25 -3.12 0.00 0.00 179.24 175.69 1fuj h TRP 237 N 0.78 1.00 0.14 4.55 7.01 -1.58 -1.07 115.95 126.77 1fuj h TRP 237 Ca 0.14 -0.39 -0.01 0.00 2.11 0.00 0.00 58.89 60.75 1fuj h TRP 237 Cb 0.54 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1fuj h TRP 237 CO 0.03 1.20 -0.07 0.82 -2.79 0.00 0.00 178.44 177.63 1fuj h ILE 238 N 0.57 0.97 -0.67 2.65 2.04 -0.57 -1.57 117.51 120.92 1fuj h ILE 238 Ca -0.01 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1fuj h ILE 238 Cb 1.24 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1fuj h ILE 238 CO 0.13 0.11 0.14 0.03 0.00 0.00 0.00 178.15 178.56 1fuj h ARG 239 N -0.41 1.09 -0.64 2.37 3.08 -1.12 0.41 114.38 119.16 1fuj h ARG 239 Ca -0.02 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1fuj h ARG 239 Cb 0.33 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1fuj h ARG 239 CO 0.03 0.98 0.30 1.03 -1.07 0.00 0.00 179.97 181.23 1fuj h SER 240 N 1.03 0.83 -0.09 7.04 0.87 -1.19 -1.47 113.55 120.57 1fuj h SER 240 Ca 0.21 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1fuj h SER 240 Cb 0.40 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1fuj h SER 240 CO 0.01 0.72 -0.37 0.74 -0.53 0.00 0.00 176.83 177.39 1fuj h THR 241 N 0.91 1.40 -0.18 2.23 2.02 -0.55 -3.15 112.91 115.58 1fuj h THR 241 Ca 0.22 -1.73 0.05 0.00 0.77 0.00 0.00 66.41 65.73 1fuj h THR 241 Cb 0.11 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1fuj h THR 241 CO -0.03 0.51 0.18 -0.07 0.37 0.00 0.00 175.52 176.48 1fuj h LEU 242 N -0.03 0.00 -0.47 2.58 3.38 -0.36 -3.51 115.31 116.90 1fuj h LEU 242 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fuj h LEU 242 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1fuj h LEU 242 CO 0.08 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.15