#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 0.17 -1.04 7.83 4.64 -2.01 -3.32 113.55 119.82 2poa h SER 2 Ca 0.00 -0.96 0.28 0.00 -0.47 0.00 0.00 61.79 60.65 2poa h SER 2 Cb 0.00 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 2poa h SER 2 CO 0.00 1.18 0.71 0.77 -0.87 0.00 0.00 176.83 178.62 2poa h SER 3 N -0.76 0.21 0.17 4.97 4.64 -2.03 -2.79 113.55 117.95 2poa h SER 3 Ca -0.08 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2poa h SER 3 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2poa h SER 3 CO 0.04 0.05 -0.06 0.49 -0.87 0.00 0.00 176.83 176.48 2poa n PHE 4 N -4.40 0.00 -2.10 4.77 3.72 -1.25 -5.00 117.46 113.21 2poa n PHE 4 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 2poa n PHE 4 Cb 0.99 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2poa s LEU 5 N -2.24 4.35 0.00 4.37 1.43 -1.06 -4.71 118.68 120.83 2poa s LEU 5 Ca 0.36 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2poa s LEU 5 Cb 0.21 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2poa s LEU 5 CO 0.41 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.85 2poa n GLY 6 N 3.69 2.41 3.83 -3.19 0.00 0.02 -4.75 105.19 107.22 2poa n GLY 6 Ca 0.13 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.64 4.10 -0.35 1.61 -2.85 0.10 -0.85 119.74 119.87 2poa s LYS 7 Ca 0.00 0.95 0.00 0.00 -1.00 0.00 0.00 55.97 55.93 2poa s LYS 7 Cb 0.00 -2.24 0.11 0.00 -2.06 0.00 0.00 37.83 33.64 2poa s LYS 7 CO 0.00 -0.04 0.13 -1.58 0.10 0.00 0.00 175.35 173.97 2poa s TRP 8 N -2.23 1.88 -0.09 1.78 0.51 -1.26 -1.02 118.94 118.51 2poa s TRP 8 Ca 0.59 -1.99 -0.00 0.00 -2.12 0.00 0.00 56.10 52.58 2poa s TRP 8 Cb -0.09 -1.81 -0.03 0.00 -0.81 0.00 0.00 33.47 30.72 2poa s TRP 8 CO 0.18 -0.86 -0.05 0.15 -0.51 0.00 0.00 176.95 175.87 2poa s LYS 9 N 1.24 2.94 -0.03 4.98 1.02 -1.24 -4.13 119.74 124.52 2poa s LYS 9 Ca 0.12 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 2poa s LYS 9 Cb -0.19 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2poa s LYS 9 CO -0.17 0.61 1.13 -1.17 -0.92 0.00 0.00 175.35 174.83 2poa s LEU 10 N -0.65 4.30 -0.05 3.17 2.96 -1.26 -1.69 118.68 125.46 2poa s LEU 10 Ca 0.10 1.78 -0.17 0.00 -0.22 0.00 0.00 54.13 55.62 2poa s LEU 10 Cb -0.12 -3.56 -0.31 0.00 0.50 0.00 0.00 46.19 42.70 2poa s LEU 10 CO 0.02 -0.49 0.78 -1.28 -1.32 0.00 0.00 176.35 174.06 2poa h SER 11 N 7.17 0.55 -3.40 3.68 0.87 -0.86 -3.47 113.55 118.09 2poa h SER 11 Ca -0.36 -0.91 -0.36 0.00 -1.23 0.00 0.00 61.79 58.93 2poa h SER 11 Cb 1.18 -0.18 -0.37 0.00 -0.44 0.00 0.00 62.40 62.59 2poa h SER 11 CO 0.84 1.59 -0.74 -1.83 -0.53 0.00 0.00 176.83 176.16 2poa s GLU 12 N -2.50 0.10 -1.02 2.24 -1.05 -1.16 -5.04 118.70 110.27 2poa s GLU 12 Ca -0.15 0.23 -0.18 0.00 -0.15 0.00 0.00 54.97 54.73 2poa s GLU 12 Cb 0.03 -0.50 0.13 0.00 -0.44 0.00 0.00 34.13 33.36 2poa s GLU 12 CO 0.84 -0.24 1.25 0.45 0.95 0.00 0.00 175.26 178.50 2poa s SER 13 N 1.62 6.74 -0.10 0.83 0.15 -1.26 -3.77 113.70 117.91 2poa s SER 13 Ca -0.02 -2.26 -0.13 0.00 0.70 0.00 0.00 55.95 54.23 2poa s SER 13 Cb -0.13 -2.42 -0.11 0.00 -1.71 0.00 0.00 66.02 61.65 2poa s SER 13 CO -0.03 -1.01 0.41 -0.74 1.20 0.00 0.00 173.24 173.06 2poa h HIS 14 N 8.42 -0.05 -1.50 3.44 2.76 -1.94 -3.39 115.15 122.89 2poa h HIS 14 Ca 0.21 -0.00 -0.45 0.00 -2.20 0.00 0.00 60.37 57.93 2poa h HIS 14 Cb 0.98 0.02 -0.40 0.00 1.55 0.00 0.00 27.41 29.55 2poa h HIS 14 CO 1.17 0.36 -1.08 0.09 -1.30 0.00 0.00 177.93 177.16 2poa n ASN 15 N -4.76 2.01 -3.99 3.26 4.13 -1.26 -4.97 115.26 109.68 2poa n ASN 15 Ca -0.05 -3.04 -0.43 0.00 1.68 0.00 0.00 54.58 52.75 2poa n ASN 15 Cb 0.21 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2poa n PHE 16 N -0.03 3.63 0.00 3.10 7.35 -1.26 -4.15 117.46 126.09 2poa n PHE 16 Ca 0.20 -2.94 0.00 0.00 -0.76 0.00 0.00 57.45 53.96 2poa n PHE 16 Cb 0.71 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.27 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 5.41 0.00 0.13 -2.13 5.68 -1.26 -4.30 116.55 120.08 2poa n ASP 17 Ca 0.45 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.77 2poa n ASP 17 Cb 0.39 0.19 0.02 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.27 0.70 -0.83 2.12 0.00 -2.00 -3.19 119.26 116.33 2poa h ALA 18 Ca 0.00 -0.45 0.20 0.00 0.00 0.00 0.00 54.91 54.67 2poa h ALA 18 Cb 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.63 2poa h ALA 18 CO 0.00 0.58 0.21 -0.24 0.00 0.00 0.00 179.25 179.80 2poa h VAL 19 N 0.00 0.40 0.10 0.00 3.04 -1.93 0.12 116.25 117.98 2poa h VAL 19 Ca -0.02 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 2poa h VAL 19 Cb 1.36 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2poa h VAL 19 CO 0.06 0.04 -0.05 0.24 -1.01 0.00 0.00 177.57 176.85 2poa h MET 20 N 0.24 -0.13 -0.65 4.17 2.86 -1.91 -3.09 114.93 116.43 2poa h MET 20 Ca 0.50 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.20 2poa h MET 20 Cb 0.94 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 2poa h MET 20 CO -0.60 0.38 0.43 1.03 1.06 0.00 0.00 176.91 179.21 2poa h SER 21 N -0.82 0.59 0.55 1.22 0.87 -1.51 0.31 113.55 114.77 2poa h SER 21 Ca -0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 2poa h SER 21 Cb 0.57 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2poa h SER 21 CO 0.02 0.39 -0.56 0.07 -0.53 0.00 0.00 176.83 176.22 2poa h LYS 22 N 0.67 0.01 -0.21 2.24 5.09 -0.91 -2.55 116.57 120.92 2poa h LYS 22 Ca 0.28 -0.01 -0.06 0.00 0.09 0.00 0.00 60.65 60.95 2poa h LYS 22 Cb 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 2poa h LYS 22 CO -0.08 0.57 -0.14 1.25 -2.09 0.00 0.00 179.45 178.96 2poa h LEU 23 N 0.01 0.34 0.00 7.07 5.85 -1.35 -3.49 115.31 123.73 2poa h LEU 23 Ca -0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2poa h LEU 23 Cb 1.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2poa h LEU 23 CO 0.07 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 2poa n GLY 24 N -0.74 0.72 3.77 3.75 0.00 0.06 -4.59 105.19 108.16 2poa n GLY 24 Ca -0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.53 4.96 0.63 1.61 1.01 -1.14 -4.99 120.40 121.95 2poa s VAL 25 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 2poa s VAL 25 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2poa s VAL 25 CO 0.00 0.59 1.16 -0.44 0.00 0.00 0.00 175.10 176.41 2poa s SER 26 N -0.80 5.07 -1.33 3.32 0.01 -1.26 -4.64 113.70 114.07 2poa s SER 26 Ca 0.13 2.21 -0.16 0.00 1.31 0.00 0.00 55.95 59.44 2poa s SER 26 Cb -0.12 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2poa s SER 26 CO 0.03 -1.67 2.09 0.79 0.41 0.00 0.00 173.24 174.89 2poa n TRP 27 N -2.03 3.51 0.00 2.43 7.02 -1.26 -1.61 117.44 125.50 2poa n TRP 27 Ca 0.12 -2.76 0.00 0.00 -1.02 0.00 0.00 57.50 53.85 2poa n TRP 27 Cb 0.51 -2.47 0.00 0.00 -2.42 0.00 0.00 31.31 26.93 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 6.97 0.00 -0.05 6.99 0.00 -1.26 -4.98 120.51 128.18 2poa n ALA 28 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.88 2poa n ALA 28 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 1.28 -0.10 0.00 1.35 -1.89 -2.48 112.91 111.06 2poa h THR 29 Ca 0.00 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.45 2poa h THR 29 Cb 0.00 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2poa h THR 29 CO 0.00 0.46 0.02 -0.09 -0.25 0.00 0.00 175.52 175.65 2poa h ARG 30 N 0.59 0.14 -0.02 4.72 2.43 -1.56 -1.49 114.38 119.19 2poa h ARG 30 Ca 0.07 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 2poa h ARG 30 Cb 0.78 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2poa h ARG 30 CO 0.06 0.14 -0.74 1.96 -1.51 0.00 0.00 179.97 179.89 2poa h GLN 31 N 0.14 0.53 -0.75 0.20 7.50 -1.75 -2.86 115.11 118.11 2poa h GLN 31 Ca 0.04 -0.55 0.01 0.00 0.50 0.00 0.00 58.65 58.65 2poa h GLN 31 Cb 0.07 0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.72 2poa h GLN 31 CO -0.00 1.18 0.49 0.82 -1.50 0.00 0.00 178.83 179.82 2poa h ILE 32 N 0.10 1.20 -0.86 2.54 5.03 -1.46 -2.72 117.51 121.33 2poa h ILE 32 Ca -0.09 -0.36 0.10 0.00 -0.12 0.00 0.00 64.86 64.39 2poa h ILE 32 Cb 1.42 0.09 -0.12 0.00 -3.03 0.00 0.00 36.82 35.18 2poa h ILE 32 CO 0.15 0.19 -0.52 1.23 -0.68 0.00 0.00 178.15 178.52 2poa h GLY 33 N 1.03 -0.59 -3.02 5.37 0.00 -1.24 0.57 103.07 105.18 2poa h GLY 33 Ca 0.28 0.69 -0.24 0.00 0.00 0.00 0.00 47.33 48.05 2poa h GLY 33 CO -0.06 -0.06 0.31 1.16 0.00 0.00 0.00 176.54 177.89 2poa n ASN 34 N -5.34 4.22 0.01 0.19 6.94 -1.09 -4.62 115.26 115.58 2poa n ASN 34 Ca 0.03 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.81 2poa n ASN 34 Cb 0.32 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 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 -0.00 0.00 -3.63 5.53 -1.04 -0.91 -5.04 114.28 109.20 2poa n THR 35 Ca 0.26 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.87 2poa n THR 35 Cb 0.87 -0.01 -0.10 0.00 -1.82 0.00 0.00 70.33 69.27 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 -1.04 4.18 0.29 12.58 1.01 0.14 -5.05 120.40 132.52 2poa s VAL 36 Ca 0.00 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 2poa s VAL 36 Cb 0.00 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 2poa s VAL 36 CO 0.00 -0.45 0.73 0.35 0.00 0.00 0.00 175.10 175.73 2poa n THR 37 N 4.90 1.92 -2.14 3.92 -2.24 -1.26 -4.55 114.28 114.83 2poa n THR 37 Ca -0.10 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 2poa n THR 37 Cb 0.43 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 2poa n THR 37 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2poa s PRO 38 N -1.38 2.73 -1.33 -0.78 0.04 -1.26 -4.45 135.00 128.58 2poa s PRO 38 Ca 0.61 -0.65 -0.08 0.00 0.04 0.00 0.00 61.00 60.92 2poa s PRO 38 Cb -0.75 -5.16 0.12 0.00 0.04 0.00 0.00 34.50 28.76 2poa s PRO 38 CO 0.58 -3.31 2.16 2.41 0.04 0.00 0.00 177.00 178.88 2poa n THR 39 N 7.68 4.60 -2.72 1.26 -1.04 -1.26 -4.84 114.28 117.96 2poa n THR 39 Ca 0.41 -4.15 -0.42 0.00 -2.04 0.00 0.00 64.05 57.84 2poa n THR 39 Cb 0.47 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.66 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 0.15 4.26 -0.65 12.58 -7.23 -1.26 -2.29 120.40 125.97 2poa s VAL 40 Ca 0.47 -1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 59.34 2poa s VAL 40 Cb 0.14 -4.93 0.08 0.00 0.56 0.00 0.00 36.38 32.22 2poa s VAL 40 CO -0.04 -1.75 0.92 -0.89 -0.31 0.00 0.00 175.10 173.03 2poa s THR 41 N 4.01 4.40 -0.42 5.32 2.01 -1.26 -4.64 115.64 125.06 2poa s THR 41 Ca 0.40 -0.46 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 2poa s THR 41 Cb -0.02 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 67.85 2poa s THR 41 CO -0.09 -1.41 0.75 0.12 -0.69 0.00 0.00 174.62 173.31 2poa s PHE 42 N 3.85 3.04 -0.06 4.92 5.36 -0.03 -1.14 117.98 133.91 2poa s PHE 42 Ca 0.20 0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2poa s PHE 42 Cb -0.18 -3.52 0.04 0.00 -0.34 0.00 0.00 43.02 39.01 2poa s PHE 42 CO 0.10 -0.89 0.14 0.95 -1.46 0.00 0.00 175.22 174.06 2poa s THR 43 N 3.14 -0.05 -0.60 0.12 -4.23 -0.70 -0.80 115.64 112.52 2poa s THR 43 Ca 0.29 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.70 2poa s THR 43 Cb -0.13 -0.23 0.04 0.00 1.34 0.00 0.00 72.50 73.52 2poa s THR 43 CO 0.20 0.07 1.12 0.00 -0.54 0.00 0.00 174.62 175.47 2poa s MET 44 N 1.07 3.38 -0.99 3.99 0.23 -1.26 0.07 119.30 125.79 2poa s MET 44 Ca -0.08 -0.06 -0.13 0.00 -1.03 0.00 0.00 55.69 54.38 2poa s MET 44 Cb -0.11 -4.07 0.22 0.00 -1.53 0.00 0.00 34.83 29.34 2poa s MET 44 CO -0.05 -1.71 1.04 0.34 -2.03 0.00 0.00 175.02 172.60 2poa s ASP 45 N 3.10 6.96 0.00 -1.18 2.15 -0.21 -4.89 116.67 122.60 2poa s ASP 45 Ca 0.36 -2.91 0.00 0.00 0.43 0.00 0.00 52.55 50.43 2poa s ASP 45 Cb -0.10 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2poa s ASP 45 CO 0.21 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2poa n GLY 46 N 3.85 1.99 0.09 2.66 0.00 -1.26 -3.15 105.19 109.37 2poa n GLY 46 Ca 0.22 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 4.03 1.85 -4.27 1.61 2.03 -1.26 -5.11 116.55 115.43 2poa n ASP 47 Ca 0.00 0.52 -0.15 0.00 0.52 0.00 0.00 54.79 55.68 2poa n ASP 47 Cb 0.00 -0.87 -0.10 0.00 -0.72 0.00 0.00 41.12 39.42 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 -2.39 1.15 -0.03 -0.67 -2.85 -1.19 -5.06 119.74 108.71 2poa s LYS 48 Ca -0.22 -1.53 -0.24 0.00 -1.00 0.00 0.00 55.97 52.98 2poa s LYS 48 Cb 0.04 -0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 2poa s LYS 48 CO 0.36 -0.00 0.73 -1.64 0.10 0.00 0.00 175.35 174.90 2poa s MET 49 N -3.80 4.45 -0.19 1.78 -1.94 0.10 -1.05 119.30 118.65 2poa s MET 49 Ca 0.21 0.95 0.01 0.00 -1.71 0.00 0.00 55.69 55.15 2poa s MET 49 Cb 0.04 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.49 2poa s MET 49 CO 0.03 0.13 -0.15 0.99 -0.01 0.00 0.00 175.02 176.02 2poa s THR 50 N 0.53 1.87 -0.57 2.05 2.01 0.11 -1.62 115.64 120.02 2poa s THR 50 Ca 0.38 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 2poa s THR 50 Cb -0.19 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.57 2poa s THR 50 CO 0.20 0.36 1.04 -0.04 -0.69 0.00 0.00 174.62 175.49 2poa s MET 51 N 1.33 3.38 -1.32 4.92 -1.94 0.10 -1.73 119.30 124.05 2poa s MET 51 Ca 0.02 -0.11 -0.08 0.00 -1.71 0.00 0.00 55.69 53.81 2poa s MET 51 Cb -0.15 -4.05 0.13 0.00 2.01 0.00 0.00 34.83 32.78 2poa s MET 51 CO -0.10 -1.59 2.16 1.28 -0.01 0.00 0.00 175.02 176.76 2poa n LEU 52 N 7.87 7.40 -4.71 -0.03 4.77 -0.29 -1.18 117.00 130.82 2poa n LEU 52 Ca 0.04 -4.75 -0.42 0.00 -0.03 0.00 0.00 56.01 50.85 2poa n LEU 52 Cb 0.48 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 2poa n LEU 52 CO 0.67 1.72 1.33 -0.89 -1.33 0.00 0.00 177.39 178.89 2poa s THR 53 N -0.25 2.41 -0.52 -5.08 2.01 -0.47 -4.11 115.64 109.64 2poa s THR 53 Ca 0.47 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.73 2poa s THR 53 Cb 0.14 -3.14 0.16 0.00 0.01 0.00 0.00 72.50 69.67 2poa s THR 53 CO -0.04 0.01 0.38 -0.70 -0.69 0.00 0.00 174.62 173.58 2poa s GLU 54 N 1.54 1.52 0.26 4.92 -6.30 -0.97 -0.15 118.70 119.52 2poa s GLU 54 Ca 0.74 -2.53 0.05 0.00 -2.50 0.00 0.00 54.97 50.73 2poa s GLU 54 Cb -0.46 -2.28 -0.06 0.00 0.00 0.00 0.00 34.13 31.34 2poa s GLU 54 CO 0.32 -1.31 -0.01 -1.12 0.02 0.00 0.00 175.26 173.16 2poa s SER 55 N -0.43 2.20 0.21 -1.70 0.01 -0.63 -4.05 113.70 109.31 2poa s SER 55 Ca 0.27 -1.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.20 2poa s SER 55 Cb -0.04 -0.06 0.17 0.00 0.21 0.00 0.00 66.02 66.30 2poa s SER 55 CO -0.15 -0.47 1.87 0.74 0.41 0.00 0.00 173.24 175.64 2poa h THR 56 N 2.36 1.16 0.04 1.44 2.02 -1.88 -2.61 112.91 115.45 2poa h THR 56 Ca -0.39 -0.33 -0.32 0.00 0.77 0.00 0.00 66.41 66.14 2poa h THR 56 Cb 1.23 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2poa h THR 56 CO 0.66 0.18 -1.80 0.49 0.37 0.00 0.00 175.52 175.42 2poa n PHE 57 N -4.60 1.11 -3.85 3.16 3.72 -1.26 -4.62 117.46 111.11 2poa n PHE 57 Ca 0.07 0.34 -0.30 0.00 -0.05 0.00 0.00 57.45 57.51 2poa n PHE 57 Cb 0.04 -1.18 -0.11 0.00 -0.94 0.00 0.00 39.48 37.29 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 -2.59 2.53 -1.06 -1.08 1.02 -1.24 -4.74 119.74 112.59 2poa s LYS 58 Ca -0.10 -3.16 -0.11 0.00 0.02 0.00 0.00 55.97 52.61 2poa s LYS 58 Cb 0.07 -3.52 0.25 0.00 -0.52 0.00 0.00 37.83 34.12 2poa s LYS 58 CO 0.81 -1.24 1.07 1.21 -0.92 0.00 0.00 175.35 176.27 2poa s ASN 59 N -0.91 7.17 -0.03 2.83 3.84 -0.98 -1.60 114.94 125.27 2poa s ASN 59 Ca 0.23 -3.32 -0.30 0.00 0.21 0.00 0.00 52.86 49.68 2poa s ASN 59 Cb -0.10 -2.23 0.07 0.00 -0.55 0.00 0.00 41.25 38.45 2poa s ASN 59 CO -0.12 -0.40 0.69 -1.48 -2.79 0.00 0.00 177.10 173.00 2poa s LEU 60 N -0.64 -0.63 0.01 3.21 0.05 0.78 -4.96 118.68 116.51 2poa s LEU 60 Ca 0.29 0.60 -0.07 0.00 0.05 0.00 0.00 54.13 55.00 2poa s LEU 60 Cb -0.09 2.50 -0.05 0.00 -2.05 0.00 0.00 46.19 46.50 2poa s LEU 60 CO -0.08 -0.64 0.28 -0.94 -0.55 0.00 0.00 176.35 174.43 2poa s SER 61 N -1.40 6.52 0.00 1.48 1.04 -1.26 -1.36 113.70 118.72 2poa s SER 61 Ca -0.09 0.60 0.02 0.00 0.48 0.00 0.00 55.95 56.96 2poa s SER 61 Cb -0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 2poa s SER 61 CO 0.06 0.25 -0.05 -0.69 0.98 0.00 0.00 173.24 173.79 2poa s VAL 62 N -1.29 0.40 0.01 5.02 1.01 -0.33 -4.97 120.40 120.25 2poa s VAL 62 Ca 0.28 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2poa s VAL 62 Cb -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2poa s VAL 62 CO 0.16 0.07 -0.19 -0.89 0.00 0.00 0.00 175.10 174.25 2poa s THR 63 N -0.23 1.48 -0.10 3.92 2.01 -1.26 -0.72 115.64 120.74 2poa s THR 63 Ca 0.01 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 2poa s THR 63 Cb -0.03 -1.26 0.12 0.00 0.01 0.00 0.00 72.50 71.35 2poa s THR 63 CO -0.00 0.31 0.97 0.72 -0.69 0.00 0.00 174.62 175.93 2poa s PHE 64 N -0.58 -0.34 0.42 4.92 -0.12 -0.64 -4.96 117.98 116.68 2poa s PHE 64 Ca 0.07 0.43 0.07 0.00 -0.05 0.00 0.00 56.93 57.45 2poa s PHE 64 Cb -0.08 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2poa s PHE 64 CO 0.00 -0.41 0.23 -1.59 -0.05 0.00 0.00 175.22 173.41 2poa s LYS 65 N -1.98 2.30 -1.10 1.99 -2.85 -1.26 -0.72 119.74 116.11 2poa s LYS 65 Ca 0.02 -1.79 -0.22 0.00 -1.00 0.00 0.00 55.97 52.99 2poa s LYS 65 Cb -0.01 -2.07 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 2poa s LYS 65 CO -0.03 -0.16 1.92 1.97 0.10 0.00 0.00 175.35 179.15 2poa n PHE 66 N -1.33 2.78 0.00 1.78 1.16 -1.26 -2.46 117.46 118.12 2poa n PHE 66 Ca -0.00 -1.78 0.00 0.00 -1.87 0.00 0.00 57.45 53.79 2poa n PHE 66 Cb 0.64 -2.38 0.00 0.00 -1.61 0.00 0.00 39.48 36.13 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 5.34 1.54 3.77 4.97 0.00 -0.74 -4.89 105.19 115.18 2poa n GLY 67 Ca 0.47 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 2poa n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2poa s GLU 68 N 0.00 3.99 -1.26 1.61 0.41 -1.03 -4.69 118.70 117.73 2poa s GLU 68 Ca 0.00 1.86 -0.14 0.00 -0.41 0.00 0.00 54.97 56.28 2poa s GLU 68 Cb 0.00 -2.63 0.14 0.00 -1.78 0.00 0.00 34.13 29.86 2poa s GLU 68 CO 0.00 -0.38 1.61 -0.85 -0.49 0.00 0.00 175.26 175.15 2poa n GLU 69 N -0.03 3.34 -2.51 1.61 0.28 -1.26 -2.51 120.64 119.57 2poa n GLU 69 Ca 0.05 -3.61 -0.41 0.00 -0.16 0.00 0.00 57.16 53.03 2poa n GLU 69 Cb 0.46 -3.15 -0.04 0.00 1.43 0.00 0.00 31.44 30.15 2poa n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2poa s PHE 70 N 2.11 3.60 0.39 -1.84 -0.71 -0.76 -4.31 117.98 116.45 2poa s PHE 70 Ca 0.45 1.63 -0.23 0.00 -1.04 0.00 0.00 56.93 57.74 2poa s PHE 70 Cb 0.01 -3.27 -0.10 0.00 -1.21 0.00 0.00 43.02 38.45 2poa s PHE 70 CO 0.02 -0.58 0.95 0.16 -1.34 0.00 0.00 175.22 174.43 2poa s ASP 71 N -0.31 7.09 -0.06 1.98 -4.77 -1.26 -1.63 116.67 117.72 2poa s ASP 71 Ca 0.48 1.76 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2poa s ASP 71 Cb -0.30 -2.56 0.02 0.00 -1.09 0.00 0.00 42.92 39.00 2poa s ASP 71 CO 0.36 -0.25 -0.04 -1.61 0.70 0.00 0.00 175.17 174.34 2poa s GLU 72 N -2.70 0.83 -0.27 2.11 2.02 -0.03 -4.97 118.70 115.68 2poa s GLU 72 Ca 0.57 -0.07 -0.24 0.00 0.02 0.00 0.00 54.97 55.26 2poa s GLU 72 Cb -0.13 -0.93 -0.00 0.00 0.10 0.00 0.00 34.13 33.17 2poa s GLU 72 CO 0.18 -0.15 0.79 0.21 0.02 0.00 0.00 175.26 176.32 2poa s LYS 73 N 1.22 4.07 0.29 1.61 2.20 -1.26 -0.77 119.74 127.10 2poa s LYS 73 Ca -0.06 0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 56.20 2poa s LYS 73 Cb -0.14 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2poa s LYS 73 CO -0.02 -0.59 0.60 0.95 -0.36 0.00 0.00 175.35 175.94 2poa s THR 74 N 2.87 4.93 0.42 3.43 -4.23 -0.67 -4.94 115.64 117.46 2poa s THR 74 Ca 0.33 0.35 0.15 0.00 -1.18 0.00 0.00 61.69 61.35 2poa s THR 74 Cb -0.15 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.36 2poa s THR 74 CO 0.10 -0.27 1.92 0.77 -0.54 0.00 0.00 174.62 176.60 2poa h SER 75 N 1.92 0.41 -0.53 3.99 4.64 -1.90 -1.76 113.55 120.32 2poa h SER 75 Ca -0.47 0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.00 2poa h SER 75 Cb 1.18 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2poa h SER 75 CO 0.67 0.21 0.37 -0.78 -0.87 0.00 0.00 176.83 176.43 2poa h ASP 76 N 0.44 0.11 0.00 4.97 3.58 -1.96 -3.48 116.42 120.08 2poa h ASP 76 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2poa h ASP 76 Cb 0.84 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2poa h ASP 76 CO -0.12 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 2poa n GLY 77 N -1.60 0.76 3.46 -0.78 0.00 -0.66 -4.79 105.19 101.59 2poa n GLY 77 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.47 0.47 -0.01 1.61 0.52 -1.25 -4.95 118.95 115.81 2poa s ARG 78 Ca 0.00 1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 56.13 2poa s ARG 78 Cb 0.00 0.53 -0.05 0.00 0.52 0.00 0.00 34.95 35.95 2poa s ARG 78 CO 0.00 -0.21 1.26 0.54 0.02 0.00 0.00 175.30 176.91 2poa s ASN 79 N 2.57 7.00 0.17 0.23 2.20 -1.26 -1.67 114.94 124.18 2poa s ASN 79 Ca -0.05 1.96 0.04 0.00 -0.94 0.00 0.00 52.86 53.88 2poa s ASN 79 Cb -0.11 -2.56 -0.05 0.00 -2.00 0.00 0.00 41.25 36.53 2poa s ASN 79 CO -0.16 -0.59 -0.08 0.68 -2.94 0.00 0.00 177.10 174.01 2poa s VAL 80 N 1.94 1.16 0.40 3.54 -7.23 0.05 -4.53 120.40 115.72 2poa s VAL 80 Ca 0.59 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2poa s VAL 80 Cb -0.28 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2poa s VAL 80 CO 0.25 -0.63 0.08 -1.59 -0.31 0.00 0.00 175.10 172.91 2poa s LYS 81 N -3.77 1.90 -0.28 4.82 -2.85 -0.79 -0.85 119.74 117.92 2poa s LYS 81 Ca 0.20 -2.14 -0.06 0.00 -1.00 0.00 0.00 55.97 52.97 2poa s LYS 81 Cb 0.03 -0.87 0.14 0.00 -2.06 0.00 0.00 37.83 35.07 2poa s LYS 81 CO 0.03 -0.36 0.57 0.45 0.10 0.00 0.00 175.35 176.14 2poa s SER 82 N -3.62 -0.97 -0.37 0.03 0.15 -0.65 0.31 113.70 108.59 2poa s SER 82 Ca 0.25 1.15 -0.29 0.00 0.70 0.00 0.00 55.95 57.76 2poa s SER 82 Cb 0.04 2.01 0.01 0.00 -1.71 0.00 0.00 66.02 66.38 2poa s SER 82 CO 0.13 -0.24 1.30 0.54 1.20 0.00 0.00 173.24 176.17 2poa s VAL 83 N 2.81 4.10 -0.14 4.45 0.11 -0.75 -1.83 120.40 129.16 2poa s VAL 83 Ca 0.05 1.19 -0.16 0.00 -2.93 0.00 0.00 61.98 60.13 2poa s VAL 83 Cb -0.13 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 2poa s VAL 83 CO -0.18 -0.65 0.39 -0.69 -3.33 0.00 0.00 175.10 170.63 2poa s VAL 84 N 4.69 5.24 -0.14 2.04 1.01 -1.04 -1.27 120.40 130.93 2poa s VAL 84 Ca 0.56 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 2poa s VAL 84 Cb -0.14 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.58 2poa s VAL 84 CO 0.27 0.36 0.26 -1.61 0.00 0.00 0.00 175.10 174.38 2poa s GLU 85 N 0.53 0.15 -0.45 2.72 2.02 -1.24 -1.79 118.70 120.63 2poa s GLU 85 Ca 0.21 0.69 -0.21 0.00 0.02 0.00 0.00 54.97 55.68 2poa s GLU 85 Cb -0.14 -0.16 0.03 0.00 0.10 0.00 0.00 34.13 33.96 2poa s GLU 85 CO 0.07 -0.33 0.69 -1.59 0.02 0.00 0.00 175.26 174.13 2poa s LYS 86 N 2.41 3.29 -0.12 1.61 0.00 -1.26 -0.16 119.74 125.52 2poa s LYS 86 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 55.97 55.53 2poa s LYS 86 Cb -0.12 -3.97 -0.09 0.00 0.00 0.00 0.00 37.83 33.64 2poa s LYS 86 CO -0.09 -1.08 0.26 -0.91 0.00 0.00 0.00 175.35 173.53 2poa h ASN 87 N 8.94 0.00 -1.40 0.03 4.21 -1.08 -3.45 115.58 122.84 2poa h ASN 87 Ca -0.25 -0.35 -0.53 0.00 1.21 0.00 0.00 56.30 56.38 2poa h ASN 87 Cb 1.09 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.24 2poa h ASN 87 CO 0.93 0.70 -0.40 -0.44 -1.29 0.00 0.00 177.43 176.93 2poa s SER 88 N -5.81 4.80 0.00 5.81 0.01 -1.08 -5.00 113.70 112.43 2poa s SER 88 Ca -0.08 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2poa s SER 88 Cb -0.01 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2poa s SER 88 CO 0.25 -0.69 0.53 1.21 0.41 0.00 0.00 173.24 174.95 2poa n GLU 89 N -1.49 0.85 -1.03 12.44 2.13 -1.26 -1.86 120.64 130.42 2poa n GLU 89 Ca 0.02 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.88 2poa n GLU 89 Cb 0.63 -1.34 0.10 0.00 0.27 0.00 0.00 31.44 31.10 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2poa n SER 90 N 0.19 1.31 -3.17 4.31 3.41 -1.26 -4.58 113.62 113.83 2poa n SER 90 Ca 0.00 -2.84 0.02 0.00 -0.26 0.00 0.00 58.87 55.78 2poa n SER 90 Cb 0.26 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.47 0.71 -0.08 4.33 2.36 -0.78 -3.89 119.74 120.93 2poa s LYS 91 Ca 0.34 -0.07 0.02 0.00 -2.55 0.00 0.00 55.97 53.72 2poa s LYS 91 Cb 0.36 0.13 -0.02 0.00 -1.05 0.00 0.00 37.83 37.25 2poa s LYS 91 CO -0.11 -1.09 -0.15 -1.17 1.55 0.00 0.00 175.35 174.39 2poa s LEU 92 N 2.09 2.68 -0.58 5.43 0.20 -0.33 -0.37 118.68 127.81 2poa s LEU 92 Ca 0.15 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.75 2poa s LEU 92 Cb -0.05 -1.56 0.16 0.00 -0.43 0.00 0.00 46.19 44.31 2poa s LEU 92 CO -0.12 0.27 0.40 -0.89 -0.29 0.00 0.00 176.35 175.73 2poa s THR 93 N -0.29 1.98 -1.23 3.68 2.01 0.78 0.35 115.64 122.92 2poa s THR 93 Ca 0.02 -3.55 -0.12 0.00 0.31 0.00 0.00 61.69 58.35 2poa s THR 93 Cb -0.13 -2.33 0.17 0.00 0.01 0.00 0.00 72.50 70.23 2poa s THR 93 CO 0.03 -1.04 1.57 1.67 -0.69 0.00 0.00 174.62 176.15 2poa n GLN 94 N 2.49 3.47 -2.73 4.92 7.27 -1.26 -3.63 117.38 127.91 2poa n GLN 94 Ca 0.20 -3.77 -0.43 0.00 0.07 0.00 0.00 57.00 53.07 2poa n GLN 94 Cb 0.38 -2.99 -0.03 0.00 2.41 0.00 0.00 30.24 30.01 2poa n GLN 94 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2poa s THR 95 N 1.08 4.37 -0.17 1.69 2.01 -0.40 -4.68 115.64 119.54 2poa s THR 95 Ca 0.41 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.05 2poa s THR 95 Cb 0.01 -4.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.00 2poa s THR 95 CO 0.00 -0.91 1.26 -1.10 -0.69 0.00 0.00 174.62 173.19 2poa s GLN 96 N 4.03 4.23 -0.75 4.92 -1.52 -1.26 -1.81 119.66 127.51 2poa s GLN 96 Ca 0.41 1.66 -0.14 0.00 -1.95 0.00 0.00 55.36 55.34 2poa s GLN 96 Cb -0.09 -3.76 0.20 0.00 -0.22 0.00 0.00 33.01 29.13 2poa s GLN 96 CO 0.29 -0.71 0.69 0.08 -0.25 0.00 0.00 175.29 175.39 2poa s VAL 97 N 3.49 5.49 0.57 1.09 1.01 0.15 -1.35 120.40 130.85 2poa s VAL 97 Ca 0.55 -2.22 0.03 0.00 0.00 0.00 0.00 61.98 60.33 2poa s VAL 97 Cb -0.22 -4.42 0.05 0.00 0.00 0.00 0.00 36.38 31.79 2poa s VAL 97 CO 0.15 -0.99 0.79 -1.81 0.00 0.00 0.00 175.10 173.24 2poa s ASP 98 N 2.52 5.12 0.00 3.32 1.11 -1.26 -1.88 116.67 125.61 2poa s ASP 98 Ca 0.14 -0.23 0.02 0.00 0.18 0.00 0.00 52.55 52.66 2poa s ASP 98 Cb -0.15 -0.55 0.12 0.00 1.07 0.00 0.00 42.92 43.41 2poa s ASP 98 CO -0.06 -1.25 0.90 -0.81 1.18 0.00 0.00 175.17 175.13 2poa n PRO 99 N -2.36 0.03 0.00 8.23 -0.04 -1.26 -1.06 135.00 138.54 2poa n PRO 99 Ca 0.10 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2poa n PRO 99 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 2poa n PRO 99 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2poa n LYS 100 N -1.31 2.27 -2.32 0.54 4.76 -1.26 -5.12 118.16 115.72 2poa n LYS 100 Ca 0.01 -0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.24 2poa n LYS 100 Cb 0.02 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 2poa n LYS 100 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2poa n ASN 101 N -1.05 -4.46 -4.69 4.39 5.15 -0.22 -4.98 115.26 109.41 2poa n ASN 101 Ca 0.03 1.40 -0.42 0.00 -0.60 0.00 0.00 54.58 54.99 2poa n ASN 101 Cb 0.24 -4.71 -0.03 0.00 -0.53 0.00 0.00 39.78 34.75 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2poa s THR 102 N -0.55 4.54 0.26 -0.44 2.01 -0.46 -4.82 115.64 116.18 2poa s THR 102 Ca -0.13 1.83 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 2poa s THR 102 Cb 0.01 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2poa s THR 102 CO 0.36 0.00 0.97 -0.89 -0.69 0.00 0.00 174.62 174.37 2poa s THR 103 N 2.08 3.97 0.00 -0.82 2.01 -0.53 -4.18 115.64 118.16 2poa s THR 103 Ca 0.52 1.94 0.00 0.00 0.31 0.00 0.00 61.69 64.45 2poa s THR 103 Cb -0.21 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2poa s THR 103 CO 0.20 0.43 0.00 1.33 -0.69 0.00 0.00 174.62 175.89 2poa n VAL 104 N 1.31 0.00 -2.12 3.82 0.24 -1.26 -3.92 118.33 116.40 2poa n VAL 104 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 2poa n VAL 104 Cb 0.47 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.00 4.49 -1.95 1.34 -6.64 -1.26 -4.65 119.36 110.69 2poa n ILE 105 Ca 0.00 -4.13 -0.42 0.00 -1.77 0.00 0.00 62.75 56.43 2poa n ILE 105 Cb 0.00 -2.32 -0.03 0.00 -1.44 0.00 0.00 39.64 35.85 2poa n ILE 105 CO 0.00 0.00 0.00 0.68 -1.77 0.00 0.00 176.55 175.46 2poa s VAL 106 N 0.35 3.32 -0.32 7.28 -7.23 -1.24 -4.03 120.40 118.54 2poa s VAL 106 Ca 0.46 0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 61.12 2poa s VAL 106 Cb 0.13 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.73 2poa s VAL 106 CO -0.03 -0.03 0.11 0.00 -0.31 0.00 0.00 175.10 174.84 2poa s ARG 107 N 3.47 2.88 0.28 4.82 1.70 0.15 -2.88 118.95 129.38 2poa s ARG 107 Ca 0.75 -1.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.02 2poa s ARG 107 Cb -0.37 -3.47 0.05 0.00 -0.57 0.00 0.00 34.95 30.60 2poa s ARG 107 CO 0.32 -0.57 0.39 0.39 -1.08 0.00 0.00 175.30 174.75 2poa n GLU 108 N 4.87 0.58 -4.17 3.89 4.71 0.14 -1.18 120.64 129.48 2poa n GLU 108 Ca -0.13 -1.26 -0.17 0.00 -0.01 0.00 0.00 57.16 55.59 2poa n GLU 108 Cb 0.46 -0.19 -0.15 0.00 -1.01 0.00 0.00 31.44 30.55 2poa n GLU 108 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2poa s VAL 109 N -0.85 0.46 -0.82 2.62 -7.23 -1.25 -1.26 120.40 112.07 2poa s VAL 109 Ca 0.27 -0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2poa s VAL 109 Cb -0.02 -0.43 0.28 0.00 0.56 0.00 0.00 36.38 36.77 2poa s VAL 109 CO 0.18 0.16 1.08 0.47 -0.31 0.00 0.00 175.10 176.68 2poa n ASP 110 N 3.36 4.97 0.00 4.85 8.00 -0.33 -4.90 116.55 132.49 2poa n ASP 110 Ca -0.18 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 51.86 2poa n ASP 110 Cb 0.55 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.91 2.01 0.00 0.44 0.00 -1.26 -2.79 105.19 104.50 2poa n GLY 111 Ca 0.29 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2poa n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poa n ASP 112 N 5.78 0.78 -4.19 1.61 5.75 -1.26 -4.87 116.55 120.15 2poa n ASP 112 Ca 0.00 -0.66 -0.40 0.00 -0.01 0.00 0.00 54.79 53.72 2poa n ASP 112 Cb 0.00 0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2poa s THR 113 N -3.02 4.65 -0.28 2.12 -1.32 -1.12 -1.36 115.64 115.31 2poa s THR 113 Ca 0.09 -3.15 -0.33 0.00 -1.21 0.00 0.00 61.69 57.09 2poa s THR 113 Cb 0.16 -3.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.16 2poa s THR 113 CO 0.80 -1.01 2.17 0.23 -2.21 0.00 0.00 174.62 174.60 2poa n MET 114 N 3.18 1.48 -3.61 7.08 2.81 -0.47 -1.18 117.12 126.41 2poa n MET 114 Ca 0.15 0.42 -0.40 0.00 -1.81 0.00 0.00 57.70 56.06 2poa n MET 114 Cb 0.40 -2.74 -0.09 0.00 -0.71 0.00 0.00 33.22 30.07 2poa n MET 114 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2poa s LYS 115 N 6.07 2.43 -0.23 0.03 2.20 -0.39 -1.98 119.74 127.86 2poa s LYS 115 Ca 1.05 -1.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2poa s LYS 115 Cb -0.66 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 31.81 2poa s LYS 115 CO 0.45 -1.10 0.07 -0.08 -0.36 0.00 0.00 175.35 174.33 2poa s THR 116 N 1.34 4.40 -0.38 3.43 -1.32 0.26 -0.68 115.64 122.68 2poa s THR 116 Ca 0.05 -0.15 -0.28 0.00 -1.21 0.00 0.00 61.69 60.11 2poa s THR 116 Cb -0.25 -3.04 -0.03 0.00 -1.51 0.00 0.00 72.50 67.68 2poa s THR 116 CO -0.01 0.36 1.91 -0.89 -2.21 0.00 0.00 174.62 173.78 2poa s THR 117 N 1.34 3.36 -0.59 5.08 2.01 -1.14 0.01 115.64 125.71 2poa s THR 117 Ca 0.05 0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2poa s THR 117 Cb -0.15 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 68.87 2poa s THR 117 CO 0.03 -0.43 0.76 0.54 -0.69 0.00 0.00 174.62 174.84 2poa s VAL 118 N 7.88 4.70 0.23 3.82 0.11 -0.21 -3.60 120.40 133.33 2poa s VAL 118 Ca 0.81 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 2poa s VAL 118 Cb -0.21 -4.51 -0.04 0.00 -1.53 0.00 0.00 36.38 30.09 2poa s VAL 118 CO 0.31 -1.15 -0.04 0.28 -3.33 0.00 0.00 175.10 171.17 2poa s THR 119 N 3.03 3.36 -0.42 5.04 -1.32 -1.25 -0.84 115.64 123.23 2poa s THR 119 Ca 0.15 -1.79 0.06 0.00 -1.21 0.00 0.00 61.69 58.90 2poa s THR 119 Cb -0.21 -2.74 0.20 0.00 -1.51 0.00 0.00 72.50 68.24 2poa s THR 119 CO 0.08 -0.26 0.48 0.52 -2.21 0.00 0.00 174.62 173.24 2poa n VAL 120 N -0.48 -0.84 0.00 5.08 0.31 -1.26 -1.46 118.33 119.68 2poa n VAL 120 Ca -0.08 -3.17 0.00 0.00 -0.01 0.00 0.00 64.34 61.08 2poa n VAL 120 Cb 0.57 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.35 0.87 2.65 2.92 0.00 -1.26 -4.35 105.19 108.37 2poa n GLY 121 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 2.02 -0.82 0.02 1.61 5.75 -1.26 -5.00 116.55 118.86 2poa n ASP 122 Ca 0.00 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 2poa n ASP 122 Cb 0.00 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.21 0.03 -2.69 2.12 0.31 -1.26 -5.08 118.33 111.54 2poa n VAL 123 Ca 0.04 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.34 2poa n VAL 123 Cb 0.80 -0.25 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 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 -2.62-10.78 -3.41 2.52 -1.04 -1.25 -4.98 114.28 92.71 2poa n THR 124 Ca 0.00 1.19 -0.44 0.00 -2.04 0.00 0.00 64.05 62.76 2poa n THR 124 Cb 0.00 -6.92 -0.08 0.00 -1.82 0.00 0.00 70.33 61.51 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 -2.08 3.53 -0.90 2.41 0.00 -0.02 -4.80 121.76 119.90 2poa s ALA 125 Ca 0.14 -2.15 -0.24 0.00 0.00 0.00 0.00 51.96 49.70 2poa s ALA 125 Cb -0.04 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2poa s ALA 125 CO 0.72 -1.74 1.54 -1.50 0.00 0.00 0.00 175.76 174.78 2poa s ILE 126 N 1.61 3.74 -0.17 0.00 1.10 -1.26 -1.05 121.20 125.17 2poa s ILE 126 Ca 0.04 -0.36 -0.24 0.00 -0.51 0.00 0.00 60.65 59.58 2poa s ILE 126 Cb -0.25 -4.74 -0.02 0.00 0.15 0.00 0.00 42.46 37.61 2poa s ILE 126 CO 0.06 -1.65 0.79 -0.13 -2.11 0.00 0.00 174.94 171.89 2poa s ARG 127 N 5.70 4.28 -0.13 3.50 0.52 0.10 -4.19 118.95 128.72 2poa s ARG 127 Ca 0.50 0.93 0.02 0.00 -0.52 0.00 0.00 55.73 56.66 2poa s ARG 127 Cb -0.04 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.87 2poa s ARG 127 CO -0.00 -0.30 -0.19 1.21 0.02 0.00 0.00 175.30 176.03 2poa s ASN 128 N 1.16 2.84 -0.12 0.23 2.47 -1.25 -0.58 114.94 119.69 2poa s ASN 128 Ca 0.36 -0.53 -0.18 0.00 0.42 0.00 0.00 52.86 52.93 2poa s ASN 128 Cb -0.16 -1.30 0.04 0.00 -1.45 0.00 0.00 41.25 38.38 2poa s ASN 128 CO 0.12 0.04 0.46 -0.72 -3.72 0.00 0.00 177.10 173.28 2poa s TYR 129 N 0.96 -0.45 0.15 0.43 1.13 -0.84 -0.09 117.35 118.64 2poa s TYR 129 Ca -0.05 1.00 -0.26 0.00 -1.41 0.00 0.00 57.07 56.35 2poa s TYR 129 Cb -0.15 0.19 -0.08 0.00 -1.10 0.00 0.00 41.96 40.82 2poa s TYR 129 CO -0.03 -0.33 0.81 0.15 -2.51 0.00 0.00 175.55 173.64 2poa s LYS 130 N -0.30 4.61 -0.50 -3.49 3.01 -0.68 -1.36 119.74 121.01 2poa s LYS 130 Ca -0.05 1.21 -0.28 0.00 -1.01 0.00 0.00 55.97 55.84 2poa s LYS 130 Cb -0.03 -3.29 0.01 0.00 -1.01 0.00 0.00 37.83 33.50 2poa s LYS 130 CO 0.03 0.49 1.50 0.50 0.51 0.00 0.00 175.35 178.38 2poa s ARG 131 N -0.88 3.31 -0.07 1.68 3.52 -0.46 -3.65 118.95 122.39 2poa s ARG 131 Ca 0.38 0.71 0.04 0.00 -0.13 0.00 0.00 55.73 56.73 2poa s ARG 131 Cb -0.23 -4.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.01 2poa s ARG 131 CO 0.27 -1.92 -0.21 -0.51 -0.81 0.00 0.00 175.30 172.13 2poa s LEU 132 N 6.31 2.32 0.00 -0.88 1.43 -0.19 -4.96 118.68 122.71 2poa s LEU 132 Ca 0.59 -0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.53 2poa s LEU 132 Cb -0.13 -1.46 0.64 0.00 0.03 0.00 0.00 46.19 45.27 2poa s LEU 132 CO 0.28 0.24 1.51 -1.54 0.23 0.00 0.00 176.35 177.07