#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa h SER 2 N 0.00 0.00 -0.83 7.83 4.64 -2.01 -3.34 113.55 119.84 2poa h SER 2 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2poa h SER 2 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 2poa h SER 2 CO 0.00 0.00 0.38 -1.28 -0.87 0.00 0.00 176.83 175.06 2poa h SER 3 N 0.00 0.39 -2.93 4.97 0.87 -2.03 -3.06 113.55 111.77 2poa h SER 3 Ca 0.00 0.12 -0.73 0.00 -1.23 0.00 0.00 61.79 59.94 2poa h SER 3 Cb 0.50 0.07 -0.33 0.00 -0.44 0.00 0.00 62.40 62.20 2poa h SER 3 CO 0.00 0.12 0.20 2.22 -0.53 0.00 0.00 176.83 178.84 2poa n PHE 4 N -4.96 3.45 -3.94 2.24 -1.74 -1.25 -5.02 117.46 106.22 2poa n PHE 4 Ca 0.18 -3.51 -0.35 0.00 -0.56 0.00 0.00 57.45 53.21 2poa n PHE 4 Cb 0.49 -1.11 -0.09 0.00 1.52 0.00 0.00 39.48 40.29 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2poa s LEU 5 N -2.19 3.99 0.00 5.98 1.43 -1.16 -4.96 118.68 121.78 2poa s LEU 5 Ca 0.32 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2poa s LEU 5 Cb 0.02 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2poa s LEU 5 CO -0.00 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.42 2poa n GLY 6 N 3.17 2.26 3.63 -3.19 0.00 0.27 -5.01 105.19 106.32 2poa n GLY 6 Ca -0.17 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2poa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poa s LYS 7 N -2.01 4.06 -0.14 1.61 0.00 -1.26 -0.99 119.74 121.01 2poa s LYS 7 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 55.97 56.84 2poa s LYS 7 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 37.83 34.14 2poa s LYS 7 CO 0.00 -0.70 -0.16 1.67 0.00 0.00 0.00 175.35 176.15 2poa s TRP 8 N 3.14 2.28 0.09 1.78 -2.14 -1.20 -0.80 118.94 122.09 2poa s TRP 8 Ca 0.37 -1.23 0.10 0.00 2.66 0.00 0.00 56.10 58.00 2poa s TRP 8 Cb -0.14 -1.63 -0.03 0.00 -3.10 0.00 0.00 33.47 28.56 2poa s TRP 8 CO 0.12 -0.64 -0.27 -1.59 -2.66 0.00 0.00 176.95 171.91 2poa s LYS 9 N 1.24 1.61 -0.04 3.25 -2.85 -1.10 -2.82 119.74 119.03 2poa s LYS 9 Ca 0.00 -1.23 -0.33 0.00 -1.00 0.00 0.00 55.97 53.42 2poa s LYS 9 Cb -0.14 -1.94 -0.11 0.00 -2.06 0.00 0.00 37.83 33.58 2poa s LYS 9 CO -0.08 0.48 1.91 -0.11 0.10 0.00 0.00 175.35 177.65 2poa n LEU 10 N 1.34 3.70 0.04 2.77 7.94 -1.26 -1.18 117.00 130.35 2poa n LEU 10 Ca -0.17 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 55.46 2poa n LEU 10 Cb 0.52 -1.43 -0.14 0.00 0.53 0.00 0.00 43.42 42.90 2poa n LEU 10 CO 0.23 0.04 -0.52 -1.28 -1.11 0.00 0.00 177.39 174.75 2poa h SER 11 N 9.60 0.49 -3.37 1.96 0.87 -0.65 -3.46 113.55 118.98 2poa h SER 11 Ca -0.49 -0.90 -0.34 0.00 -1.23 0.00 0.00 61.79 58.83 2poa h SER 11 Cb 1.26 -0.16 -0.37 0.00 -0.44 0.00 0.00 62.40 62.69 2poa h SER 11 CO 0.94 1.73 -0.72 -1.83 -0.53 0.00 0.00 176.83 176.42 2poa s GLU 12 N -2.53 -0.05 -1.19 2.24 -1.05 -1.18 -5.04 118.70 109.89 2poa s GLU 12 Ca -0.18 0.33 -0.16 0.00 -0.15 0.00 0.00 54.97 54.80 2poa s GLU 12 Cb 0.05 -0.39 0.13 0.00 -0.44 0.00 0.00 34.13 33.48 2poa s GLU 12 CO 0.81 -0.27 1.48 0.45 0.95 0.00 0.00 175.26 178.68 2poa s SER 13 N 1.76 6.92 -0.06 0.83 0.15 -1.26 -3.78 113.70 118.26 2poa s SER 13 Ca -0.01 -2.65 -0.21 0.00 0.70 0.00 0.00 55.95 53.79 2poa s SER 13 Cb -0.12 -2.46 -0.30 0.00 -1.71 0.00 0.00 66.02 61.43 2poa s SER 13 CO -0.03 -0.94 0.81 -0.74 1.20 0.00 0.00 173.24 173.54 2poa h HIS 14 N 7.62 0.51 -1.25 3.44 6.17 -1.94 -3.35 115.15 126.35 2poa h HIS 14 Ca 0.33 -0.37 -0.42 0.00 0.71 0.00 0.00 60.37 60.61 2poa h HIS 14 Cb 0.90 -0.02 -0.40 0.00 2.52 0.00 0.00 27.41 30.40 2poa h HIS 14 CO 1.21 1.36 -1.10 -1.71 0.71 0.00 0.00 177.93 178.40 2poa n ASN 15 N -4.09 2.07 -3.83 3.26 2.85 -1.26 -4.92 115.26 109.33 2poa n ASN 15 Ca -0.16 -2.96 -0.42 0.00 -0.11 0.00 0.00 54.58 50.92 2poa n ASN 15 Cb 0.83 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.33 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2poa n PHE 16 N -0.10 3.01 0.00 1.20 7.35 -1.26 -4.07 117.46 123.58 2poa n PHE 16 Ca 0.17 -2.81 0.00 0.00 -0.76 0.00 0.00 57.45 54.05 2poa n PHE 16 Cb 0.76 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 38.55 2poa n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2poa n ASP 17 N 4.16 0.00 0.18 -2.13 5.68 -1.26 -4.06 116.55 119.12 2poa n ASP 17 Ca 0.42 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.77 2poa n ASP 17 Cb 0.36 0.33 0.25 0.00 -1.14 0.00 0.00 41.12 40.93 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2poa h ALA 18 N 0.19 0.88 -0.85 2.12 0.00 -1.96 -3.21 119.26 116.43 2poa h ALA 18 Ca 0.00 -0.32 0.21 0.00 0.00 0.00 0.00 54.91 54.80 2poa h ALA 18 Cb 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 2poa h ALA 18 CO 0.00 0.44 0.29 -0.24 0.00 0.00 0.00 179.25 179.73 2poa h VAL 19 N 0.00 0.44 0.04 0.00 3.04 -1.93 0.14 116.25 117.98 2poa h VAL 19 Ca -0.00 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2poa h VAL 19 Cb 1.04 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2poa h VAL 19 CO 0.05 0.06 -0.02 0.24 -1.01 0.00 0.00 177.57 176.88 2poa h MET 20 N 0.31 -0.05 -0.65 4.17 2.86 -1.90 -2.97 114.93 116.70 2poa h MET 20 Ca 0.51 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.18 2poa h MET 20 Cb 0.97 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 2poa h MET 20 CO -0.56 0.57 0.43 1.03 1.06 0.00 0.00 176.91 179.44 2poa h SER 21 N -0.72 0.70 0.81 1.22 0.87 -1.51 0.17 113.55 115.09 2poa h SER 21 Ca -0.01 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 2poa h SER 21 Cb 0.64 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2poa h SER 21 CO 0.01 0.50 -0.42 0.07 -0.53 0.00 0.00 176.83 176.45 2poa h LYS 22 N 0.83 0.00 -0.18 2.24 5.09 -0.88 -2.84 116.57 120.82 2poa h LYS 22 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.98 2poa h LYS 22 Cb -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.30 2poa h LYS 22 CO -0.06 0.42 0.10 1.25 -2.09 0.00 0.00 179.45 179.07 2poa h LEU 23 N 0.00 0.23 0.00 7.07 5.85 -1.28 -3.49 115.31 123.69 2poa h LEU 23 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2poa h LEU 23 Cb 0.94 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2poa h LEU 23 CO 0.06 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 2poa n GLY 24 N -0.90 0.24 3.46 3.75 0.00 0.01 -4.69 105.19 107.05 2poa n GLY 24 Ca -0.04 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2poa n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2poa s VAL 25 N 0.00 2.94 0.18 1.61 1.01 -1.18 -4.99 120.40 119.97 2poa s VAL 25 Ca 0.00 -0.84 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 2poa s VAL 25 Cb 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 36.38 34.08 2poa s VAL 25 CO 0.00 0.54 1.43 -1.54 0.00 0.00 0.00 175.10 175.53 2poa n SER 26 N 2.16 2.56 -0.98 3.32 3.41 -1.26 -4.75 113.62 118.08 2poa n SER 26 Ca -0.17 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2poa n SER 26 Cb 0.52 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2poa n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2poa n TRP 27 N 2.49 0.00 -0.02 7.33 7.02 -1.26 -1.19 117.44 131.81 2poa n TRP 27 Ca 0.15 -0.40 -0.04 0.00 -1.02 0.00 0.00 57.50 56.18 2poa n TRP 27 Cb 0.28 -0.22 -0.02 0.00 -2.42 0.00 0.00 31.31 28.93 2poa n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2poa n ALA 28 N 0.56 2.31 -0.03 6.99 0.00 -1.26 -4.79 120.51 124.30 2poa n ALA 28 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 2poa n ALA 28 Cb 0.41 0.42 0.25 0.00 0.00 0.00 0.00 19.45 20.53 2poa n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2poa h THR 29 N -0.09 1.22 0.00 0.00 1.35 -1.81 -2.84 112.91 110.74 2poa h THR 29 Ca -0.11 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2poa h THR 29 Cb 1.13 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2poa h THR 29 CO -0.05 0.31 0.02 -0.09 -0.25 0.00 0.00 175.52 175.46 2poa h ARG 30 N 0.55 0.00 0.05 4.72 1.12 -1.45 -3.17 114.38 116.20 2poa h ARG 30 Ca 0.11 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.62 2poa h ARG 30 Cb 0.41 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.32 2poa h ARG 30 CO 0.02 0.00 -2.15 1.04 -3.11 0.00 0.00 179.97 175.77 2poa n GLN 31 N -2.55 0.69 -0.02 0.20 3.00 -1.08 -4.26 117.38 113.36 2poa n GLN 31 Ca -0.02 0.19 0.03 0.00 -0.01 0.00 0.00 57.00 57.19 2poa n GLN 31 Cb 0.07 -1.64 0.38 0.00 0.00 0.00 0.00 30.24 29.05 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2poa h ILE 32 N 0.03 1.13 -0.48 5.09 5.03 -1.56 -2.79 117.51 123.97 2poa h ILE 32 Ca -0.46 -0.33 0.08 0.00 -0.12 0.00 0.00 64.86 64.03 2poa h ILE 32 Cb 2.02 0.54 -0.10 0.00 -3.03 0.00 0.00 36.82 36.26 2poa h ILE 32 CO 0.03 0.14 -0.42 1.23 -0.68 0.00 0.00 178.15 178.45 2poa h GLY 33 N 0.66 -0.47 -3.01 5.37 0.00 -1.74 0.07 103.07 103.94 2poa h GLY 33 Ca 0.16 0.54 -0.25 0.00 0.00 0.00 0.00 47.33 47.77 2poa h GLY 33 CO -0.03 -0.18 0.32 1.16 0.00 0.00 0.00 176.54 177.82 2poa n ASN 34 N -5.41 3.80 0.09 0.19 6.94 -1.12 -4.57 115.26 115.19 2poa n ASN 34 Ca 0.01 -2.79 0.00 0.00 -0.02 0.00 0.00 54.58 51.77 2poa n ASN 34 Cb 0.35 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2poa n ASN 34 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2poa n THR 35 N -0.18 0.00 -3.55 5.53 -1.04 -1.05 -5.06 114.28 108.94 2poa n THR 35 Ca 0.28 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.88 2poa n THR 35 Cb 0.98 -0.19 -0.09 0.00 -1.82 0.00 0.00 70.33 69.20 2poa n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2poa s VAL 36 N -1.52 4.51 -0.31 12.58 1.01 -0.01 -5.03 120.40 131.62 2poa s VAL 36 Ca 0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 61.98 60.35 2poa s VAL 36 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2poa s VAL 36 CO 0.00 -0.51 2.17 0.35 0.00 0.00 0.00 175.10 177.10 2poa n THR 37 N 5.00 0.24 -1.54 3.92 -2.24 -1.26 -4.64 114.28 113.76 2poa n THR 37 Ca -0.11 -0.28 -0.45 0.00 -2.27 0.00 0.00 64.05 60.94 2poa n THR 37 Cb 0.43 -1.82 -0.05 0.00 -2.10 0.00 0.00 70.33 66.80 2poa n THR 37 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2poa n PRO 38 N 8.15 1.57 -2.03 -0.78 -0.04 -1.26 -4.38 135.00 136.23 2poa n PRO 38 Ca 0.38 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.82 2poa n PRO 38 Cb 0.27 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 2poa n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2poa n THR 39 N 7.61 4.10 -2.60 0.52 -1.04 -1.25 -4.00 114.28 117.62 2poa n THR 39 Ca 0.35 -3.80 -0.41 0.00 -2.04 0.00 0.00 64.05 58.15 2poa n THR 39 Cb 0.38 -2.44 -0.03 0.00 -1.82 0.00 0.00 70.33 66.42 2poa n THR 39 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2poa s VAL 40 N 1.36 3.84 -0.88 12.58 -7.23 -1.13 -2.51 120.40 126.43 2poa s VAL 40 Ca 0.45 0.16 -0.13 0.00 -1.81 0.00 0.00 61.98 60.65 2poa s VAL 40 Cb 0.12 -4.90 0.23 0.00 0.56 0.00 0.00 36.38 32.39 2poa s VAL 40 CO -0.04 -1.81 0.83 -0.89 -0.31 0.00 0.00 175.10 172.88 2poa s THR 41 N 5.39 5.65 -0.50 5.32 2.01 -1.26 -3.24 115.64 129.01 2poa s THR 41 Ca 0.34 -2.69 -0.23 0.00 0.31 0.00 0.00 61.69 59.43 2poa s THR 41 Cb -0.08 -4.47 0.04 0.00 0.01 0.00 0.00 72.50 68.00 2poa s THR 41 CO 0.11 -1.06 0.81 0.12 -0.69 0.00 0.00 174.62 173.91 2poa s PHE 42 N -0.14 2.93 -0.02 4.92 5.36 -0.16 -0.71 117.98 130.16 2poa s PHE 42 Ca 0.21 -0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 2poa s PHE 42 Cb -0.10 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 38.80 2poa s PHE 42 CO -0.09 -1.14 0.05 0.95 -1.46 0.00 0.00 175.22 173.53 2poa s THR 43 N 3.39 -0.01 -0.72 0.12 -4.23 -0.44 -0.57 115.64 113.18 2poa s THR 43 Ca 0.27 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.54 2poa s THR 43 Cb -0.14 -0.08 -0.00 0.00 1.34 0.00 0.00 72.50 73.62 2poa s THR 43 CO 0.19 0.01 1.63 0.00 -0.54 0.00 0.00 174.62 175.91 2poa s MET 44 N 0.18 2.89 -0.74 3.99 0.23 -1.26 -0.10 119.30 124.48 2poa s MET 44 Ca -0.01 0.08 -0.12 0.00 -1.03 0.00 0.00 55.69 54.60 2poa s MET 44 Cb -0.02 -4.46 0.19 0.00 -1.53 0.00 0.00 34.83 29.01 2poa s MET 44 CO -0.01 -2.56 0.66 0.34 -2.03 0.00 0.00 175.02 171.43 2poa s ASP 45 N 6.32 6.40 0.00 -1.18 2.15 -0.53 -4.69 116.67 125.13 2poa s ASP 45 Ca 0.54 -2.58 0.00 0.00 0.43 0.00 0.00 52.55 50.95 2poa s ASP 45 Cb -0.09 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2poa s ASP 45 CO 0.14 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2poa n GLY 46 N 4.09 2.24 1.02 2.66 0.00 -1.26 -3.92 105.19 110.01 2poa n GLY 46 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2poa n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2poa n ASP 47 N 4.36 0.79 -4.96 1.61 2.03 -1.26 -5.15 116.55 113.97 2poa n ASP 47 Ca 0.00 0.10 -0.23 0.00 0.52 0.00 0.00 54.79 55.18 2poa n ASP 47 Cb 0.00 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.14 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2poa s LYS 48 N -1.70 3.46 -0.45 -0.67 -2.85 -1.25 -4.82 119.74 111.45 2poa s LYS 48 Ca -0.00 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.11 2poa s LYS 48 Cb 0.00 -2.84 0.03 0.00 -2.06 0.00 0.00 37.83 32.96 2poa s LYS 48 CO 0.01 0.37 0.91 0.00 0.10 0.00 0.00 175.35 176.73 2poa s MET 49 N -3.94 3.56 -0.11 1.78 0.23 -0.14 -1.45 119.30 119.22 2poa s MET 49 Ca 0.36 0.19 0.03 0.00 -1.03 0.00 0.00 55.69 55.24 2poa s MET 49 Cb -0.09 -3.91 0.01 0.00 -1.53 0.00 0.00 34.83 29.30 2poa s MET 49 CO 0.31 -1.17 -0.22 0.99 -2.03 0.00 0.00 175.02 172.89 2poa s THR 50 N 3.66 1.99 -0.53 3.16 2.01 0.86 -3.56 115.64 123.22 2poa s THR 50 Ca 0.36 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 61.16 2poa s THR 50 Cb -0.11 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.70 2poa s THR 50 CO 0.25 0.54 0.95 -0.04 -0.69 0.00 0.00 174.62 175.63 2poa s MET 51 N 0.58 3.39 -1.30 4.92 -1.94 -0.53 -1.33 119.30 123.09 2poa s MET 51 Ca -0.13 -0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 53.65 2poa s MET 51 Cb -0.17 -4.02 0.15 0.00 2.01 0.00 0.00 34.83 32.80 2poa s MET 51 CO 0.04 -1.44 2.12 1.28 -0.01 0.00 0.00 175.02 177.01 2poa n LEU 52 N 7.46 7.33 -4.66 -0.03 4.77 0.12 -1.47 117.00 130.51 2poa n LEU 52 Ca 0.03 -4.77 -0.42 0.00 -0.03 0.00 0.00 56.01 50.81 2poa n LEU 52 Cb 0.48 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2poa n LEU 52 CO 0.64 1.72 1.30 -0.89 -1.33 0.00 0.00 177.39 178.83 2poa s THR 53 N -0.41 3.68 -0.58 -5.08 2.01 -0.67 -4.08 115.64 110.51 2poa s THR 53 Ca 0.46 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.37 2poa s THR 53 Cb 0.14 -3.56 0.16 0.00 0.01 0.00 0.00 72.50 69.25 2poa s THR 53 CO -0.04 -0.07 0.41 -0.70 -0.69 0.00 0.00 174.62 173.54 2poa s GLU 54 N 3.71 1.85 0.36 4.92 -6.30 -1.04 -0.05 118.70 122.15 2poa s GLU 54 Ca 0.69 -2.81 0.04 0.00 -2.50 0.00 0.00 54.97 50.40 2poa s GLU 54 Cb -0.32 -2.69 -0.06 0.00 0.00 0.00 0.00 34.13 31.07 2poa s GLU 54 CO 0.27 -1.30 0.06 -1.12 0.02 0.00 0.00 175.26 173.19 2poa s SER 55 N -0.77 2.77 0.15 -1.70 0.01 -0.78 -3.96 113.70 109.42 2poa s SER 55 Ca 0.26 -1.44 -0.15 0.00 1.31 0.00 0.00 55.95 55.93 2poa s SER 55 Cb -0.05 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2poa s SER 55 CO -0.15 -0.65 1.73 0.74 0.41 0.00 0.00 173.24 175.32 2poa h THR 56 N 1.96 1.17 0.06 1.44 2.02 -1.94 -3.09 112.91 114.54 2poa h THR 56 Ca -0.41 -0.48 -0.31 0.00 0.77 0.00 0.00 66.41 65.99 2poa h THR 56 Cb 1.25 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2poa h THR 56 CO 0.70 0.19 -1.68 0.49 0.37 0.00 0.00 175.52 175.58 2poa n PHE 57 N -4.67 1.11 -3.52 3.16 3.72 -1.26 -4.69 117.46 111.30 2poa n PHE 57 Ca 0.01 0.34 -0.40 0.00 -0.05 0.00 0.00 57.45 57.34 2poa n PHE 57 Cb 0.10 -1.13 -0.04 0.00 -0.94 0.00 0.00 39.48 37.47 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2poa s LYS 58 N -2.47 3.46 -1.02 -1.08 1.02 -1.26 -4.77 119.74 113.63 2poa s LYS 58 Ca -0.26 -3.00 -0.12 0.00 0.02 0.00 0.00 55.97 52.61 2poa s LYS 58 Cb 0.07 -4.16 0.24 0.00 -0.52 0.00 0.00 37.83 33.45 2poa s LYS 58 CO 0.68 -1.25 1.04 1.21 -0.92 0.00 0.00 175.35 176.11 2poa s ASN 59 N 0.78 7.08 -0.10 2.83 3.84 -1.16 -1.87 114.94 126.34 2poa s ASN 59 Ca 0.25 -3.15 -0.30 0.00 0.21 0.00 0.00 52.86 49.87 2poa s ASN 59 Cb -0.11 -2.24 0.08 0.00 -0.55 0.00 0.00 41.25 38.43 2poa s ASN 59 CO -0.09 -0.48 0.73 -1.48 -2.79 0.00 0.00 177.10 172.99 2poa s LEU 60 N -0.25 -0.63 0.02 3.21 0.05 0.93 -4.95 118.68 117.06 2poa s LEU 60 Ca 0.28 0.79 -0.10 0.00 0.05 0.00 0.00 54.13 55.15 2poa s LEU 60 Cb -0.09 2.44 -0.05 0.00 -2.05 0.00 0.00 46.19 46.44 2poa s LEU 60 CO -0.08 -0.52 0.34 -0.94 -0.55 0.00 0.00 176.35 174.61 2poa s SER 61 N -0.93 6.62 -0.10 1.48 1.04 -1.26 -1.67 113.70 118.87 2poa s SER 61 Ca -0.08 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.10 2poa s SER 61 Cb -0.01 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.97 2poa s SER 61 CO 0.07 0.26 -0.11 0.68 0.98 0.00 0.00 173.24 175.13 2poa s VAL 62 N -1.25 1.18 -0.11 5.02 -7.23 -0.54 -4.98 120.40 112.49 2poa s VAL 62 Ca 0.27 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 2poa s VAL 62 Cb -0.14 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 2poa s VAL 62 CO 0.15 0.38 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.40 2poa s THR 63 N 1.32 3.97 -0.09 5.32 2.01 -1.26 -1.45 115.64 125.46 2poa s THR 63 Ca -0.01 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2poa s THR 63 Cb -0.14 -2.68 0.10 0.00 0.01 0.00 0.00 72.50 69.79 2poa s THR 63 CO -0.05 0.56 0.85 0.72 -0.69 0.00 0.00 174.62 176.02 2poa s PHE 64 N -0.39 -0.48 0.57 4.92 -0.12 -1.23 -4.96 117.98 116.30 2poa s PHE 64 Ca 0.06 0.74 0.09 0.00 -0.05 0.00 0.00 56.93 57.78 2poa s PHE 64 Cb -0.12 0.45 0.08 0.00 -0.63 0.00 0.00 43.02 42.80 2poa s PHE 64 CO 0.02 -0.48 0.79 -1.59 -0.05 0.00 0.00 175.22 173.90 2poa s LYS 65 N -1.51 2.32 -0.91 1.99 -2.85 -1.26 -0.97 119.74 116.55 2poa s LYS 65 Ca -0.04 -1.61 -0.06 0.00 -1.00 0.00 0.00 55.97 53.26 2poa s LYS 65 Cb -0.00 -2.65 -0.06 0.00 -2.06 0.00 0.00 37.83 33.06 2poa s LYS 65 CO 0.03 -0.84 2.20 1.97 0.10 0.00 0.00 175.35 178.80 2poa n PHE 66 N -2.24 1.35 0.00 1.78 1.16 -1.26 -3.91 117.46 114.35 2poa n PHE 66 Ca 0.15 -1.98 0.00 0.00 -1.87 0.00 0.00 57.45 53.75 2poa n PHE 66 Cb 0.61 -1.70 0.00 0.00 -1.61 0.00 0.00 39.48 36.79 2poa n PHE 66 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2poa n GLY 67 N 3.67 -0.52 0.15 4.97 0.00 -0.95 -4.81 105.19 107.71 2poa n GLY 67 Ca 0.46 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 2poa n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2poa n GLU 68 N 0.00 0.56 -3.06 1.61 -0.58 -1.25 -5.02 120.64 112.89 2poa n GLU 68 Ca 0.00 0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.96 2poa n GLU 68 Cb 0.00 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 2poa n GLU 68 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2poa n GLU 69 N -4.28 -1.45 -2.68 3.49 2.13 -1.24 -5.01 120.64 111.59 2poa n GLU 69 Ca -0.43 1.55 -0.40 0.00 0.66 0.00 0.00 57.16 58.54 2poa n GLU 69 Cb 0.78 -5.62 -0.05 0.00 0.27 0.00 0.00 31.44 26.82 2poa n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2poa s PHE 70 N -2.95 3.85 0.14 4.31 -0.12 -0.55 -4.56 117.98 118.11 2poa s PHE 70 Ca 0.03 1.83 -0.29 0.00 -0.05 0.00 0.00 56.93 58.45 2poa s PHE 70 Cb -0.01 -3.07 -0.07 0.00 -0.63 0.00 0.00 43.02 39.24 2poa s PHE 70 CO 0.76 0.15 0.92 -0.51 -0.05 0.00 0.00 175.22 176.49 2poa s ASP 71 N -0.84 7.50 0.00 1.98 1.01 -1.26 -1.38 116.67 123.69 2poa s ASP 71 Ca 0.43 1.79 0.05 0.00 0.71 0.00 0.00 52.55 55.53 2poa s ASP 71 Cb -0.27 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.07 2poa s ASP 71 CO 0.33 0.03 -0.14 -0.70 0.21 0.00 0.00 175.17 174.90 2poa s GLU 72 N -0.43 1.09 -0.21 8.23 2.56 0.36 -4.95 118.70 125.36 2poa s GLU 72 Ca 0.43 -0.57 -0.02 0.00 0.00 0.00 0.00 54.97 54.82 2poa s GLU 72 Cb -0.24 -1.07 0.01 0.00 2.00 0.00 0.00 34.13 34.83 2poa s GLU 72 CO 0.29 0.29 -0.11 0.21 -0.56 0.00 0.00 175.26 175.38 2poa s LYS 73 N -0.54 3.17 0.16 4.30 2.20 -1.26 -0.16 119.74 127.61 2poa s LYS 73 Ca 0.05 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 54.84 2poa s LYS 73 Cb -0.06 -2.82 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2poa s LYS 73 CO -0.00 -0.22 0.45 0.95 -0.36 0.00 0.00 175.35 176.17 2poa s THR 74 N 1.39 5.05 0.45 3.43 -4.23 -0.58 -4.95 115.64 116.20 2poa s THR 74 Ca 0.05 0.31 0.14 0.00 -1.18 0.00 0.00 61.69 61.01 2poa s THR 74 Cb -0.14 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.39 2poa s THR 74 CO -0.08 0.06 2.00 0.77 -0.54 0.00 0.00 174.62 176.83 2poa h SER 75 N 2.92 0.32 -0.07 3.99 4.64 -1.90 -1.21 113.55 122.25 2poa h SER 75 Ca -0.47 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2poa h SER 75 Cb 1.17 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2poa h SER 75 CO 0.70 0.20 0.12 -0.78 -0.87 0.00 0.00 176.83 176.20 2poa h ASP 76 N 0.36 0.00 0.00 4.97 3.58 -1.96 -3.48 116.42 119.89 2poa h ASP 76 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2poa h ASP 76 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2poa h ASP 76 CO -0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 2poa n GLY 77 N -1.27 0.69 3.41 -0.78 0.00 -0.46 -4.86 105.19 101.93 2poa n GLY 77 Ca -0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 2poa n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2poa s ARG 78 N -0.30 0.43 -0.09 1.61 0.52 -1.25 -4.97 118.95 114.91 2poa s ARG 78 Ca 0.00 1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 56.08 2poa s ARG 78 Cb 0.00 0.48 -0.03 0.00 0.52 0.00 0.00 34.95 35.92 2poa s ARG 78 CO 0.00 -0.22 1.35 0.54 0.02 0.00 0.00 175.30 176.98 2poa s ASN 79 N 2.58 6.90 0.33 0.23 4.22 -1.26 -1.52 114.94 126.42 2poa s ASN 79 Ca -0.04 1.90 0.06 0.00 -2.14 0.00 0.00 52.86 52.64 2poa s ASN 79 Cb -0.11 -2.55 -0.07 0.00 1.28 0.00 0.00 41.25 39.80 2poa s ASN 79 CO -0.15 -0.74 0.01 0.68 -2.04 0.00 0.00 177.10 174.85 2poa s VAL 80 N 3.09 1.54 0.48 3.54 -7.23 0.77 -4.66 120.40 117.93 2poa s VAL 80 Ca 0.60 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2poa s VAL 80 Cb -0.26 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 2poa s VAL 80 CO 0.21 -0.09 0.01 -0.54 -0.31 0.00 0.00 175.10 174.38 2poa s LYS 81 N -3.79 2.13 -0.29 4.82 1.02 -0.15 -0.49 119.74 122.98 2poa s LYS 81 Ca 0.34 -2.33 0.00 0.00 0.02 0.00 0.00 55.97 54.00 2poa s LYS 81 Cb 0.07 -1.48 0.19 0.00 -0.52 0.00 0.00 37.83 36.10 2poa s LYS 81 CO 0.15 -0.32 0.58 -1.12 -0.92 0.00 0.00 175.35 173.73 2poa s SER 82 N -3.83 -1.31 -0.63 2.83 0.01 -0.48 -0.51 113.70 109.79 2poa s SER 82 Ca 0.12 0.69 -0.28 0.00 1.31 0.00 0.00 55.95 57.80 2poa s SER 82 Cb 0.03 2.06 0.02 0.00 0.21 0.00 0.00 66.02 68.35 2poa s SER 82 CO 0.06 -0.27 1.34 0.54 0.41 0.00 0.00 173.24 175.33 2poa s VAL 83 N 2.83 3.79 -0.20 3.43 0.11 -0.61 -1.49 120.40 128.27 2poa s VAL 83 Ca 0.18 0.61 -0.17 0.00 -2.93 0.00 0.00 61.98 59.67 2poa s VAL 83 Cb -0.14 -4.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.03 2poa s VAL 83 CO -0.22 -1.44 0.45 -0.69 -3.33 0.00 0.00 175.10 169.87 2poa s VAL 84 N 5.88 5.16 -0.16 2.04 1.01 -1.26 -1.78 120.40 131.29 2poa s VAL 84 Ca 0.45 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.17 2poa s VAL 84 Cb -0.09 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.59 2poa s VAL 84 CO 0.21 0.23 0.35 -1.61 0.00 0.00 0.00 175.10 174.28 2poa s GLU 85 N 1.40 0.26 -0.09 2.72 2.02 -1.23 -2.24 118.70 121.54 2poa s GLU 85 Ca 0.21 0.87 -0.30 0.00 0.02 0.00 0.00 54.97 55.78 2poa s GLU 85 Cb -0.15 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 2poa s GLU 85 CO 0.09 -0.25 1.06 -1.59 0.02 0.00 0.00 175.26 174.59 2poa s LYS 86 N 2.31 4.40 -0.13 1.61 0.00 -1.26 -1.74 119.74 124.93 2poa s LYS 86 Ca -0.02 1.47 -0.26 0.00 0.00 0.00 0.00 55.97 57.17 2poa s LYS 86 Cb -0.11 -3.54 -0.26 0.00 0.00 0.00 0.00 37.83 33.91 2poa s LYS 86 CO -0.11 -0.35 0.68 -0.91 0.00 0.00 0.00 175.35 174.66 2poa h ASN 87 N 7.19 0.10 -4.41 0.03 4.21 -0.95 -3.48 115.58 118.28 2poa h ASN 87 Ca -0.32 -0.90 -0.43 0.00 1.21 0.00 0.00 56.30 55.86 2poa h ASN 87 Cb 1.15 -0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 38.22 2poa h ASN 87 CO 0.86 1.19 -0.38 -1.20 -1.29 0.00 0.00 177.43 176.61 2poa n SER 88 N -4.45 0.46 0.00 5.81 7.64 -0.56 -5.00 113.62 117.52 2poa n SER 88 Ca -0.16 -2.79 0.11 0.00 1.01 0.00 0.00 58.87 57.04 2poa n SER 88 Cb 0.60 1.06 0.58 0.00 -1.01 0.00 0.00 64.21 65.44 2poa n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2poa n GLU 89 N -0.66 0.36 -1.29 1.43 -0.58 -1.26 -1.47 120.64 117.16 2poa n GLU 89 Ca -0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 57.16 56.79 2poa n GLU 89 Cb 0.50 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.99 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2poa n SER 90 N -1.26 2.29 -3.29 1.62 3.41 -1.26 -4.13 113.62 111.00 2poa n SER 90 Ca 0.11 -3.34 -0.08 0.00 -0.26 0.00 0.00 58.87 55.30 2poa n SER 90 Cb 0.17 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 2poa n SER 90 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2poa s LYS 91 N -2.75 0.52 0.52 4.33 2.47 -0.54 -4.32 119.74 119.97 2poa s LYS 91 Ca 0.39 -0.08 0.05 0.00 -1.56 0.00 0.00 55.97 54.78 2poa s LYS 91 Cb 0.38 -0.29 0.02 0.00 -1.46 0.00 0.00 37.83 36.48 2poa s LYS 91 CO -0.06 -1.09 0.35 -1.17 0.16 0.00 0.00 175.35 173.54 2poa s LEU 92 N 2.27 2.74 -0.41 5.43 0.20 -0.15 -0.28 118.68 128.47 2poa s LEU 92 Ca 0.12 -1.24 0.06 0.00 0.69 0.00 0.00 54.13 53.76 2poa s LEU 92 Cb -0.12 -1.22 0.17 0.00 -0.43 0.00 0.00 46.19 44.59 2poa s LEU 92 CO -0.22 -1.01 0.53 -0.89 -0.29 0.00 0.00 176.35 174.48 2poa s THR 93 N -2.75 -0.67 -1.06 3.68 2.01 -0.71 -0.02 115.64 116.12 2poa s THR 93 Ca 0.33 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 2poa s THR 93 Cb -0.01 -0.32 0.20 0.00 0.01 0.00 0.00 72.50 72.37 2poa s THR 93 CO 0.20 -0.30 1.18 0.00 -0.69 0.00 0.00 174.62 175.01 2poa s GLN 94 N 1.42 3.93 -0.33 4.92 -2.07 -1.26 -3.46 119.66 122.81 2poa s GLN 94 Ca 0.20 -2.53 -0.26 0.00 -1.82 0.00 0.00 55.36 50.94 2poa s GLN 94 Cb -0.07 -4.81 0.01 0.00 -1.09 0.00 0.00 33.01 27.05 2poa s GLN 94 CO -0.06 -1.57 0.93 0.99 -1.32 0.00 0.00 175.29 174.27 2poa s THR 95 N 0.92 4.63 -0.00 3.63 2.01 -0.73 -4.68 115.64 121.41 2poa s THR 95 Ca 0.34 1.39 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 2poa s THR 95 Cb -0.06 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2poa s THR 95 CO -0.06 -0.42 1.22 -1.10 -0.69 0.00 0.00 174.62 173.58 2poa s GLN 96 N 3.35 4.38 -0.81 4.92 -0.21 -1.26 -1.57 119.66 128.45 2poa s GLN 96 Ca 0.39 1.74 -0.10 0.00 0.02 0.00 0.00 55.36 57.42 2poa s GLN 96 Cb -0.13 -3.48 0.21 0.00 1.00 0.00 0.00 33.01 30.62 2poa s GLN 96 CO 0.15 -0.38 0.72 0.08 -2.12 0.00 0.00 175.29 173.74 2poa s VAL 97 N 1.77 5.06 0.56 1.09 1.01 0.34 -1.31 120.40 128.92 2poa s VAL 97 Ca 0.58 -2.82 0.03 0.00 0.00 0.00 0.00 61.98 59.77 2poa s VAL 97 Cb -0.27 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.01 2poa s VAL 97 CO 0.25 -1.01 0.78 -1.81 0.00 0.00 0.00 175.10 173.31 2poa s ASP 98 N 1.49 5.14 0.26 3.32 1.11 -1.26 -0.98 116.67 125.75 2poa s ASP 98 Ca 0.20 -0.27 0.16 0.00 0.18 0.00 0.00 52.55 52.81 2poa s ASP 98 Cb -0.13 -0.51 0.86 0.00 1.07 0.00 0.00 42.92 44.21 2poa s ASP 98 CO -0.08 -1.23 1.45 -0.81 1.18 0.00 0.00 175.17 175.68 2poa n PRO 99 N -2.33 0.10 -0.06 8.23 -0.04 -1.26 -1.53 135.00 138.11 2poa n PRO 99 Ca 0.10 0.59 -0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2poa n PRO 99 Cb 0.60 -1.91 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 2poa n PRO 99 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2poa n LYS 100 N -2.06 0.68 -0.56 0.54 0.00 -1.26 -5.13 118.16 110.37 2poa n LYS 100 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.48 2poa n LYS 100 Cb 0.09 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2poa n ASN 101 N -3.14 -1.53 -4.74 3.14 3.02 -0.58 -5.06 115.26 106.36 2poa n ASN 101 Ca -0.31 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.84 2poa n ASN 101 Cb 1.06 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2poa s THR 102 N 0.00 4.81 0.43 3.41 2.01 -0.42 -4.84 115.64 121.02 2poa s THR 102 Ca 0.00 1.56 -0.21 0.00 0.31 0.00 0.00 61.69 63.35 2poa s THR 102 Cb 0.00 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.32 2poa s THR 102 CO 0.00 0.35 0.96 -0.89 -0.69 0.00 0.00 174.62 174.35 2poa s THR 103 N 0.08 4.28 -0.52 -0.82 2.01 -0.83 -4.26 115.64 115.58 2poa s THR 103 Ca 0.38 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.58 2poa s THR 103 Cb -0.20 -3.63 -0.15 0.00 0.01 0.00 0.00 72.50 68.54 2poa s THR 103 CO 0.22 -0.26 1.72 1.33 -0.69 0.00 0.00 174.62 176.94 2poa n VAL 104 N -0.54 0.00 1.66 3.82 0.24 -1.26 -4.17 118.33 118.08 2poa n VAL 104 Ca 0.07 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.45 2poa n VAL 104 Cb 0.53 -0.36 0.41 0.00 -1.47 0.00 0.00 33.84 32.95 2poa n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2poa n ILE 105 N 4.98 0.10 -1.27 1.34 -6.64 -1.26 -4.60 119.36 112.01 2poa n ILE 105 Ca 0.43 -0.15 0.00 0.00 -1.77 0.00 0.00 62.75 61.26 2poa n ILE 105 Cb -0.01 -0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.19 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2poa n VAL 106 N -0.30 -0.57 -2.98 7.28 0.24 -1.26 -2.55 118.33 118.19 2poa n VAL 106 Ca 0.13 0.14 -0.44 0.00 -2.04 0.00 0.00 64.34 62.13 2poa n VAL 106 Cb 0.16 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.63 2poa n VAL 106 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2poa s ARG 107 N -0.28 3.30 0.00 7.34 3.52 0.97 -3.19 118.95 130.61 2poa s ARG 107 Ca 0.00 -1.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 2poa s ARG 107 Cb 0.00 -4.50 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 2poa s ARG 107 CO 0.00 -1.69 0.00 -1.91 -0.81 0.00 0.00 175.30 170.89 2poa n GLU 108 N 6.65 2.20 -3.65 5.12 2.13 -0.14 -0.98 120.64 131.97 2poa n GLU 108 Ca 0.06 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.81 2poa n GLU 108 Cb 0.46 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.10 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2poa s VAL 109 N 1.10 -0.22 -0.73 6.31 0.11 -1.26 -2.33 120.40 123.38 2poa s VAL 109 Ca 0.00 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2poa s VAL 109 Cb 0.00 -0.91 0.27 0.00 -1.53 0.00 0.00 36.38 34.21 2poa s VAL 109 CO 0.00 0.01 2.24 0.47 -3.33 0.00 0.00 175.10 174.49 2poa n ASP 110 N 4.57 7.23 -2.10 3.54 8.00 -0.26 -4.85 116.55 132.68 2poa n ASP 110 Ca -0.19 -3.65 -0.02 0.00 0.71 0.00 0.00 54.79 51.64 2poa n ASP 110 Cb 0.56 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2poa n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2poa n GLY 111 N -0.14 -0.89 2.98 0.44 0.00 -1.26 -4.36 105.19 101.97 2poa n GLY 111 Ca 0.53 0.37 -0.21 0.00 0.00 0.00 0.00 46.02 46.71 2poa n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2poa n ASP 112 N -0.66 -4.99 -3.41 1.61 8.00 -1.26 -4.99 116.55 110.85 2poa n ASP 112 Ca 0.04 -0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.11 2poa n ASP 112 Cb 0.28 -4.09 -0.10 0.00 -0.02 0.00 0.00 41.12 37.19 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2poa s THR 113 N -3.00 -0.25 -0.34 -3.53 -1.32 -1.26 -1.89 115.64 104.06 2poa s THR 113 Ca 0.26 -0.91 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 2poa s THR 113 Cb -0.13 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 2poa s THR 113 CO 0.32 -0.63 1.65 -0.04 -2.21 0.00 0.00 174.62 173.71 2poa s MET 114 N 1.77 3.47 -0.73 7.08 -1.94 0.18 -1.10 119.30 128.03 2poa s MET 114 Ca 0.14 1.31 -0.21 0.00 -1.71 0.00 0.00 55.69 55.21 2poa s MET 114 Cb -0.16 -4.12 0.09 0.00 2.01 0.00 0.00 34.83 32.65 2poa s MET 114 CO -0.17 -1.69 0.99 0.21 -0.01 0.00 0.00 175.02 174.35 2poa s LYS 115 N 5.30 3.24 -0.47 2.03 2.20 -0.99 -1.75 119.74 129.30 2poa s LYS 115 Ca 0.73 -1.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 2poa s LYS 115 Cb -0.20 -4.44 0.12 0.00 -1.51 0.00 0.00 37.83 31.81 2poa s LYS 115 CO 0.33 -1.79 0.21 -0.08 -0.36 0.00 0.00 175.35 173.66 2poa s THR 116 N 3.59 2.70 -0.62 3.43 -1.32 0.18 -0.97 115.64 122.63 2poa s THR 116 Ca 0.24 -2.88 -0.27 0.00 -1.21 0.00 0.00 61.69 57.57 2poa s THR 116 Cb -0.14 -2.89 0.01 0.00 -1.51 0.00 0.00 72.50 67.98 2poa s THR 116 CO 0.04 -0.74 1.46 -0.89 -2.21 0.00 0.00 174.62 172.28 2poa s THR 117 N 0.22 3.69 -0.74 5.08 2.01 -1.05 -3.37 115.64 121.47 2poa s THR 117 Ca 0.14 0.51 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 2poa s THR 117 Cb -0.23 -4.49 0.08 0.00 0.01 0.00 0.00 72.50 67.87 2poa s THR 117 CO -0.03 -1.32 1.06 0.54 -0.69 0.00 0.00 174.62 174.18 2poa s VAL 118 N 6.50 4.32 0.20 3.82 0.11 -0.15 -4.29 120.40 130.91 2poa s VAL 118 Ca 0.50 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2poa s VAL 118 Cb -0.10 -4.75 -0.04 0.00 -1.53 0.00 0.00 36.38 29.95 2poa s VAL 118 CO 0.21 -1.54 0.39 0.28 -3.33 0.00 0.00 175.10 171.11 2poa s THR 119 N 4.02 5.21 -0.42 5.04 -1.32 -1.26 -0.68 115.64 126.23 2poa s THR 119 Ca 0.27 -0.39 0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2poa s THR 119 Cb -0.13 -3.74 0.22 0.00 -1.51 0.00 0.00 72.50 67.34 2poa s THR 119 CO 0.05 -0.18 0.51 0.52 -2.21 0.00 0.00 174.62 173.32 2poa n VAL 120 N -0.68 -0.77 0.00 5.08 0.31 -1.26 -1.97 118.33 119.05 2poa n VAL 120 Ca -0.05 -3.31 0.00 0.00 -0.01 0.00 0.00 64.34 60.98 2poa n VAL 120 Cb 0.54 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2poa n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2poa n GLY 121 N 2.07 0.75 2.64 2.92 0.00 -1.26 -4.49 105.19 107.83 2poa n GLY 121 Ca 0.23 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 2poa n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poa n ASP 122 N 1.79 -1.59 0.07 1.61 5.75 -1.26 -5.00 116.55 117.92 2poa n ASP 122 Ca 0.00 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 2poa n ASP 122 Cb 0.00 1.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2poa n VAL 123 N 0.10 0.00 -2.59 2.12 0.31 -1.26 -5.08 118.33 111.93 2poa n VAL 123 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 2poa n VAL 123 Cb 0.74 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2poa n VAL 123 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2poa n THR 124 N -2.94 -8.37 -3.09 2.52 -1.04 -1.23 -4.98 114.28 95.15 2poa n THR 124 Ca 0.00 0.25 -0.44 0.00 -2.04 0.00 0.00 64.05 61.82 2poa n THR 124 Cb 0.00 -6.28 -0.05 0.00 -1.82 0.00 0.00 70.33 62.17 2poa n THR 124 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2poa s ALA 125 N -2.60 3.35 -1.17 2.41 0.00 0.14 -4.74 121.76 119.15 2poa s ALA 125 Ca 0.09 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.92 2poa s ALA 125 Cb -0.03 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2poa s ALA 125 CO 0.57 -2.26 1.67 -1.50 0.00 0.00 0.00 175.76 174.24 2poa s ILE 126 N 2.89 3.95 -0.35 0.00 1.10 -1.26 -0.98 121.20 126.55 2poa s ILE 126 Ca 0.15 -1.32 -0.25 0.00 -0.51 0.00 0.00 60.65 58.72 2poa s ILE 126 Cb -0.21 -5.01 0.01 0.00 0.15 0.00 0.00 42.46 37.41 2poa s ILE 126 CO 0.10 -1.82 0.87 -0.13 -2.11 0.00 0.00 174.94 171.84 2poa s ARG 127 N 4.90 3.85 -0.21 3.50 0.52 -1.22 -4.40 118.95 125.90 2poa s ARG 127 Ca 0.54 0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 56.18 2poa s ARG 127 Cb 0.01 -3.79 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 2poa s ARG 127 CO 0.02 -0.86 0.18 1.21 0.02 0.00 0.00 175.30 175.86 2poa s ASN 128 N 1.80 6.21 -0.10 0.23 3.84 -1.25 -0.65 114.94 125.02 2poa s ASN 128 Ca 0.36 0.23 0.01 0.00 0.21 0.00 0.00 52.86 53.66 2poa s ASN 128 Cb -0.13 -2.11 0.02 0.00 -0.55 0.00 0.00 41.25 38.48 2poa s ASN 128 CO 0.17 0.11 -0.11 -0.31 -2.79 0.00 0.00 177.10 174.17 2poa s TYR 129 N 0.72 1.60 -0.24 0.43 1.51 -0.72 0.12 117.35 120.76 2poa s TYR 129 Ca 0.09 -0.74 -0.28 0.00 -1.01 0.00 0.00 57.07 55.13 2poa s TYR 129 Cb -0.12 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2poa s TYR 129 CO 0.02 -0.45 1.00 0.21 -1.11 0.00 0.00 175.55 175.22 2poa s LYS 130 N 1.26 4.22 0.15 -0.62 2.47 -0.33 -0.65 119.74 126.25 2poa s LYS 130 Ca -0.03 1.23 -0.31 0.00 -1.56 0.00 0.00 55.97 55.31 2poa s LYS 130 Cb -0.14 -3.65 -0.08 0.00 -1.46 0.00 0.00 37.83 32.49 2poa s LYS 130 CO -0.04 -0.64 1.35 0.50 0.16 0.00 0.00 175.35 176.67 2poa s ARG 131 N 3.19 4.35 -0.10 4.03 3.52 -0.79 -2.71 118.95 130.44 2poa s ARG 131 Ca 0.42 2.06 0.02 0.00 -0.13 0.00 0.00 55.73 58.11 2poa s ARG 131 Cb -0.15 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 2poa s ARG 131 CO 0.07 -0.35 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.54 2poa s LEU 132 N 0.51 1.79 0.00 -0.88 1.43 0.02 -4.98 118.68 116.57 2poa s LEU 132 Ca 0.61 -0.43 0.22 0.00 -1.03 0.00 0.00 54.13 53.50 2poa s LEU 132 Cb -0.37 -1.10 0.17 0.00 0.03 0.00 0.00 46.19 44.92 2poa s LEU 132 CO 0.34 0.05 1.20 -1.54 0.23 0.00 0.00 176.35 176.63