#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa n SER 2 N 0.00 -1.22 -0.23 7.83 7.64 -1.26 -4.83 113.62 121.55 2poa n SER 2 Ca 0.00 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.22 2poa n SER 2 Cb 0.00 1.35 0.07 0.00 -1.01 0.00 0.00 64.21 64.61 2poa n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2poa h SER 3 N 0.00 -0.65 -0.82 6.43 0.87 -2.02 -3.11 113.55 114.25 2poa h SER 3 Ca 0.00 0.20 -0.43 0.00 -1.23 0.00 0.00 61.79 60.34 2poa h SER 3 Cb 0.00 0.42 -0.16 0.00 -0.44 0.00 0.00 62.40 62.23 2poa h SER 3 CO 0.00 -0.23 0.33 0.49 -0.53 0.00 0.00 176.83 176.90 2poa n PHE 4 N -5.45 1.44 -4.89 2.24 3.72 -1.26 -4.89 117.46 108.37 2poa n PHE 4 Ca 0.08 -1.91 -0.33 0.00 -0.05 0.00 0.00 57.45 55.25 2poa n PHE 4 Cb 0.35 -1.28 -0.14 0.00 -0.94 0.00 0.00 39.48 37.46 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 -1.90 2.64 0.00 4.37 1.43 -1.18 -3.57 118.68 120.48 2poa s LEU 5 Ca 0.52 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2poa s LEU 5 Cb 0.34 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 45.00 2poa s LEU 5 CO -0.15 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2poa n GLY 6 N 2.96 3.00 3.83 -3.19 0.00 0.29 -4.94 105.19 107.14 2poa n GLY 6 Ca -0.18 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.47 4.12 -0.16 1.61 -2.85 -1.25 -1.19 119.74 117.54 2poa s LYS 7 Ca 0.00 0.91 -0.14 0.00 -1.00 0.00 0.00 55.97 55.74 2poa s LYS 7 Cb 0.00 -2.29 0.05 0.00 -2.06 0.00 0.00 37.83 33.52 2poa s LYS 7 CO 0.00 0.05 0.43 1.67 0.10 0.00 0.00 175.35 177.59 2poa s TRP 8 N -2.10 -0.50 0.12 1.78 -2.14 -1.26 -0.91 118.94 113.93 2poa s TRP 8 Ca 0.58 1.19 0.06 0.00 2.66 0.00 0.00 56.10 60.59 2poa s TRP 8 Cb -0.10 0.19 -0.04 0.00 -3.10 0.00 0.00 33.47 30.42 2poa s TRP 8 CO 0.15 -0.25 -0.01 -1.59 -2.66 0.00 0.00 176.95 172.59 2poa s LYS 9 N 0.47 2.46 -0.04 3.25 -2.85 -1.25 -3.75 119.74 118.02 2poa s LYS 9 Ca -0.02 -0.96 -0.30 0.00 -1.00 0.00 0.00 55.97 53.70 2poa s LYS 9 Cb -0.04 -2.45 -0.07 0.00 -2.06 0.00 0.00 37.83 33.21 2poa s LYS 9 CO -0.02 0.50 1.86 -1.17 0.10 0.00 0.00 175.35 176.62 2poa s LEU 10 N -2.55 4.25 0.09 2.77 2.96 -1.26 -2.94 118.68 122.00 2poa s LEU 10 Ca 0.26 2.35 -0.03 0.00 -0.22 0.00 0.00 54.13 56.49 2poa s LEU 10 Cb -0.11 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.83 2poa s LEU 10 CO 0.18 -1.13 1.20 -1.28 -1.32 0.00 0.00 176.35 174.00 2poa h SER 11 N 10.73 0.40 -4.12 3.68 0.87 -0.73 -3.46 113.55 120.93 2poa h SER 11 Ca -0.44 -0.40 -0.17 0.00 -1.23 0.00 0.00 61.79 59.55 2poa h SER 11 Cb 1.21 -0.13 -0.25 0.00 -0.44 0.00 0.00 62.40 62.79 2poa h SER 11 CO 0.95 1.29 -0.50 -1.83 -0.53 0.00 0.00 176.83 176.21 2poa s GLU 12 N -2.80 0.29 -0.66 2.24 -1.05 -1.23 -4.97 118.70 110.51 2poa s GLU 12 Ca -0.04 0.08 -0.18 0.00 -0.15 0.00 0.00 54.97 54.68 2poa s GLU 12 Cb 0.08 0.13 0.13 0.00 -0.44 0.00 0.00 34.13 34.03 2poa s GLU 12 CO 0.87 -0.05 0.74 0.45 0.95 0.00 0.00 175.26 178.22 2poa s SER 13 N -0.30 6.33 -0.05 0.83 0.15 -1.26 -3.61 113.70 115.78 2poa s SER 13 Ca -0.04 -1.75 -0.07 0.00 0.70 0.00 0.00 55.95 54.79 2poa s SER 13 Cb -0.03 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 2poa s SER 13 CO 0.01 -0.99 0.33 -0.74 1.20 0.00 0.00 173.24 173.05 2poa h HIS 14 N 8.89 -0.24 -0.61 3.44 2.76 -1.93 -3.41 115.15 124.04 2poa h HIS 14 Ca -0.18 -0.01 -0.33 0.00 -2.20 0.00 0.00 60.37 57.65 2poa h HIS 14 Cb 1.07 0.08 -0.41 0.00 1.55 0.00 0.00 27.41 29.71 2poa h HIS 14 CO 0.89 -0.15 -1.05 0.09 -1.30 0.00 0.00 177.93 176.41 2poa n ASN 15 N -4.51 2.35 -4.33 3.26 4.13 -1.26 -4.99 115.26 109.91 2poa n ASN 15 Ca -0.03 -2.53 -0.43 0.00 1.68 0.00 0.00 54.58 53.27 2poa n ASN 15 Cb 0.10 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 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 -0.55 4.41 0.00 3.10 7.35 -1.26 -4.19 117.46 126.32 2poa n PHE 16 Ca 0.16 -3.06 0.00 0.00 -0.76 0.00 0.00 57.45 53.79 2poa n PHE 16 Cb 0.83 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.31 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 6.36 0.00 0.12 -2.13 5.68 -1.26 -4.35 116.55 120.96 2poa n ASP 17 Ca 0.43 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.81 2poa n ASP 17 Cb 0.42 0.32 0.02 0.00 -1.14 0.00 0.00 41.12 40.74 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 0.13 0.62 -0.79 2.12 0.00 -2.00 -3.36 119.26 115.98 2poa h ALA 18 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.93 2poa h ALA 18 Cb 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 2poa h ALA 18 CO 0.00 0.17 -0.07 -0.24 0.00 0.00 0.00 179.25 179.11 2poa h VAL 19 N 0.00 0.26 0.18 0.00 3.04 -1.94 0.11 116.25 117.91 2poa h VAL 19 Ca -0.02 -0.02 -0.34 0.00 -1.01 0.00 0.00 66.70 65.31 2poa h VAL 19 Cb 1.11 0.20 0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2poa h VAL 19 CO 0.01 0.01 -1.68 0.00 -1.01 0.00 0.00 177.57 174.90 2poa h MET 20 N 0.05 0.39 -0.43 4.17 -0.00 -1.92 -3.35 114.93 113.84 2poa h MET 20 Ca 0.42 -0.66 0.02 0.00 -0.00 0.00 0.00 59.70 59.48 2poa h MET 20 Cb 0.72 0.25 -0.02 0.00 -0.00 0.00 0.00 31.60 32.54 2poa h MET 20 CO -0.75 1.29 0.28 1.03 -0.00 0.00 0.00 176.91 178.77 2poa h SER 21 N 0.11 0.43 0.39 -0.10 0.87 -1.66 -2.41 113.55 111.17 2poa h SER 21 Ca -0.31 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 2poa h SER 21 Cb 2.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2poa h SER 21 CO 0.19 0.31 -0.19 0.07 -0.53 0.00 0.00 176.83 176.67 2poa h LYS 22 N 0.51 0.00 0.16 2.24 2.10 -0.93 -2.94 116.57 117.71 2poa h LYS 22 Ca 0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.81 2poa h LYS 22 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2poa h LYS 22 CO -0.04 0.19 -0.08 1.25 -2.00 0.00 0.00 179.45 178.78 2poa h LEU 23 N 0.00 -0.18 0.00 7.07 5.85 -1.62 -3.50 115.31 122.94 2poa h LEU 23 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2poa h LEU 23 Cb 0.44 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2poa h LEU 23 CO 0.03 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 2poa n GLY 24 N -0.03 0.10 3.83 3.75 0.00 -0.94 -4.84 105.19 107.06 2poa n GLY 24 Ca -0.09 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 4.66 0.62 1.61 1.01 -1.24 -5.01 120.40 122.05 2poa s VAL 25 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 2poa s VAL 25 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2poa s VAL 25 CO 0.00 0.14 1.27 -1.54 0.00 0.00 0.00 175.10 174.97 2poa n SER 26 N 0.52 2.09 -3.30 3.32 3.41 -1.26 -4.85 113.62 113.54 2poa n SER 26 Ca -0.02 0.87 -0.32 0.00 -0.26 0.00 0.00 58.87 59.14 2poa n SER 26 Cb 0.52 -1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 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 -1.65 2.02 0.02 7.33 7.02 -1.26 -2.41 117.44 128.50 2poa n TRP 27 Ca 0.14 -2.53 0.00 0.00 -1.02 0.00 0.00 57.50 54.09 2poa n TRP 27 Cb 0.47 -2.10 0.00 0.00 -2.42 0.00 0.00 31.31 27.26 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 4.26 0.91 0.62 6.99 0.00 -1.26 -4.93 120.51 127.11 2poa n ALA 28 Ca 0.61 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.16 2poa n ALA 28 Cb 0.21 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.81 2poa n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2poa n THR 29 N -2.60 0.27 0.31 0.00 -2.24 -1.20 -4.17 114.28 104.64 2poa n THR 29 Ca 0.00 -0.23 0.18 0.00 -2.27 0.00 0.00 64.05 61.73 2poa n THR 29 Cb 0.00 -0.01 1.01 0.00 -2.10 0.00 0.00 70.33 69.23 2poa n THR 29 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2poa h ARG 30 N 0.00 0.00 0.08 -0.78 2.43 -1.81 -0.37 114.38 113.93 2poa h ARG 30 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2poa h ARG 30 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2poa h ARG 30 CO 0.00 0.01 -1.22 -0.56 -1.51 0.00 0.00 179.97 176.69 2poa h GLN 31 N 0.00 0.16 -0.31 0.20 -0.00 -1.87 -3.38 115.11 109.92 2poa h GLN 31 Ca -0.00 -0.28 -0.08 0.00 -0.00 0.00 0.00 58.65 58.29 2poa h GLN 31 Cb 0.05 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.62 2poa h GLN 31 CO 0.00 1.13 -0.16 0.82 -0.00 0.00 0.00 178.83 180.62 2poa h ILE 32 N -0.53 1.25 -0.22 1.86 5.03 -1.64 -2.81 117.51 120.46 2poa h ILE 32 Ca -0.28 -1.13 0.05 0.00 -0.12 0.00 0.00 64.86 63.38 2poa h ILE 32 Cb 1.58 1.19 -0.07 0.00 -3.03 0.00 0.00 36.82 36.48 2poa h ILE 32 CO -0.00 0.37 -0.43 1.23 -0.68 0.00 0.00 178.15 178.64 2poa h GLY 33 N 0.97 -0.67 -3.37 5.37 0.00 -1.30 0.60 103.07 104.66 2poa h GLY 33 Ca 0.09 0.53 -0.31 0.00 0.00 0.00 0.00 47.33 47.64 2poa h GLY 33 CO 0.04 -0.21 0.40 1.16 0.00 0.00 0.00 176.54 177.92 2poa n ASN 34 N -5.43 5.88 0.12 0.19 6.94 -1.19 -4.48 115.26 117.30 2poa n ASN 34 Ca -0.03 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.52 2poa n ASN 34 Cb 0.36 -0.98 0.00 0.00 -2.36 0.00 0.00 39.78 36.79 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 0.24 0.00 -3.48 5.53 -1.04 -1.07 -5.03 114.28 109.43 2poa n THR 35 Ca 0.29 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.88 2poa n THR 35 Cb 0.67 -0.23 -0.09 0.00 -1.82 0.00 0.00 70.33 68.86 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 -1.66 4.88 -0.35 12.58 1.01 0.18 -5.02 120.40 132.02 2poa s VAL 36 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 61.98 60.50 2poa s VAL 36 Cb 0.00 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 2poa s VAL 36 CO 0.00 -0.51 2.12 0.35 0.00 0.00 0.00 175.10 177.06 2poa n THR 37 N 5.10 0.20 -1.68 3.92 -2.24 -1.26 -4.74 114.28 113.58 2poa n THR 37 Ca -0.12 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 2poa n THR 37 Cb 0.44 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.16 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 5.79 2.79 -1.48 -0.78 0.04 -1.26 -4.66 135.00 135.43 2poa s PRO 38 Ca 1.09 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 2poa s PRO 38 Cb -0.94 -4.42 0.02 0.00 0.04 0.00 0.00 34.50 29.20 2poa s PRO 38 CO 0.53 -2.49 2.42 2.41 0.04 0.00 0.00 177.00 179.91 2poa n THR 39 N 7.75 3.96 -2.86 1.26 -1.04 -1.26 -4.71 114.28 117.38 2poa n THR 39 Ca 0.30 -3.15 -0.44 0.00 -2.04 0.00 0.00 64.05 58.73 2poa n THR 39 Cb 0.49 -2.54 -0.01 0.00 -1.82 0.00 0.00 70.33 66.45 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 2.22 4.74 -0.53 12.58 -7.23 -1.25 -2.61 120.40 128.32 2poa s VAL 40 Ca 0.54 -2.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.38 2poa s VAL 40 Cb 0.15 -4.93 0.06 0.00 0.56 0.00 0.00 36.38 32.22 2poa s VAL 40 CO -0.07 -1.67 0.73 -0.89 -0.31 0.00 0.00 175.10 172.89 2poa s THR 41 N 2.49 4.72 -0.40 5.32 2.01 -1.25 -4.63 115.64 123.91 2poa s THR 41 Ca 0.42 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2poa s THR 41 Cb -0.02 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 68.11 2poa s THR 41 CO -0.02 -0.95 0.38 0.12 -0.69 0.00 0.00 174.62 173.46 2poa s PHE 42 N 3.02 3.20 -0.08 4.92 2.19 -0.33 -0.54 117.98 130.36 2poa s PHE 42 Ca 0.19 -0.39 -0.04 0.00 0.33 0.00 0.00 56.93 57.02 2poa s PHE 42 Cb -0.18 -2.75 0.04 0.00 -1.31 0.00 0.00 43.02 38.82 2poa s PHE 42 CO 0.13 -0.62 0.18 0.95 1.83 0.00 0.00 175.22 177.69 2poa s THR 43 N 1.96 -0.04 -0.47 0.12 -4.23 -0.41 -0.55 115.64 112.02 2poa s THR 43 Ca 0.10 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2poa s THR 43 Cb -0.18 -0.29 0.03 0.00 1.34 0.00 0.00 72.50 73.41 2poa s THR 43 CO 0.12 0.06 1.12 -0.32 -0.54 0.00 0.00 174.62 175.06 2poa s MET 44 N 1.03 3.73 -1.17 3.99 1.75 -1.26 0.20 119.30 127.57 2poa s MET 44 Ca -0.08 0.56 -0.15 0.00 -1.25 0.00 0.00 55.69 54.78 2poa s MET 44 Cb -0.10 -3.90 0.15 0.00 2.84 0.00 0.00 34.83 33.83 2poa s MET 44 CO -0.06 -1.34 1.41 0.34 -0.65 0.00 0.00 175.02 174.72 2poa s ASP 45 N 2.39 6.98 0.00 1.11 2.15 -0.03 -4.84 116.67 124.43 2poa s ASP 45 Ca 0.47 -2.78 0.00 0.00 0.43 0.00 0.00 52.55 50.67 2poa s ASP 45 Cb -0.08 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2poa s ASP 45 CO 0.30 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 2poa n GLY 46 N 4.47 1.59 0.09 2.66 0.00 -1.26 -3.48 105.19 109.24 2poa n GLY 46 Ca 0.36 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 2poa n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2poa h ASP 47 N 0.00 0.00 -5.00 1.61 3.58 -2.01 -3.51 116.42 111.09 2poa h ASP 47 Ca 0.00 -0.53 -0.17 0.00 0.42 0.00 0.00 57.03 56.76 2poa h ASP 47 Cb 0.00 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.88 2poa h ASP 47 CO 0.00 1.17 -0.69 -1.59 -2.88 0.00 0.00 179.24 175.24 2poa s LYS 48 N -2.24 0.60 0.24 0.28 -2.85 -1.23 -5.05 119.74 109.49 2poa s LYS 48 Ca -0.22 -1.09 -0.29 0.00 -1.00 0.00 0.00 55.97 53.37 2poa s LYS 48 Cb 0.02 0.05 -0.09 0.00 -2.06 0.00 0.00 37.83 35.76 2poa s LYS 48 CO 0.51 -0.06 0.92 -1.64 0.10 0.00 0.00 175.35 175.18 2poa s MET 49 N -3.22 4.80 -0.08 1.78 -1.94 -0.40 -0.85 119.30 119.39 2poa s MET 49 Ca 0.02 1.43 -0.02 0.00 -1.71 0.00 0.00 55.69 55.42 2poa s MET 49 Cb 0.02 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.65 2poa s MET 49 CO -0.06 0.51 0.01 0.99 -0.01 0.00 0.00 175.02 176.45 2poa s THR 50 N -1.21 0.38 -0.45 2.05 2.01 0.13 -1.00 115.64 117.55 2poa s THR 50 Ca 0.41 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2poa s THR 50 Cb -0.25 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.71 2poa s THR 50 CO 0.31 0.21 1.13 -0.04 -0.69 0.00 0.00 174.62 175.53 2poa s MET 51 N 1.97 3.77 -1.22 4.92 -1.94 -0.52 -1.29 119.30 124.99 2poa s MET 51 Ca 0.04 0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 54.59 2poa s MET 51 Cb -0.13 -3.88 0.21 0.00 2.01 0.00 0.00 34.83 33.04 2poa s MET 51 CO -0.06 -1.31 1.77 1.28 -0.01 0.00 0.00 175.02 176.70 2poa n LEU 52 N 7.69 6.62 -4.60 -0.03 4.77 0.30 -1.49 117.00 130.26 2poa n LEU 52 Ca 0.12 -4.82 -0.43 0.00 -0.03 0.00 0.00 56.01 50.85 2poa n LEU 52 Cb 0.49 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 2poa n LEU 52 CO 0.70 1.49 1.34 -0.89 -1.33 0.00 0.00 177.39 178.70 2poa s THR 53 N -0.59 3.75 -0.73 -5.08 2.01 -0.65 -3.82 115.64 110.53 2poa s THR 53 Ca 0.37 0.78 0.04 0.00 0.31 0.00 0.00 61.69 63.19 2poa s THR 53 Cb 0.08 -3.97 0.19 0.00 0.01 0.00 0.00 72.50 68.82 2poa s THR 53 CO 0.03 -0.59 0.59 -0.62 -0.69 0.00 0.00 174.62 173.35 2poa n GLU 54 N 8.12 2.11 -3.73 4.92 -0.58 -1.07 -0.27 120.64 130.14 2poa n GLU 54 Ca 0.19 -4.52 -0.22 0.00 -0.42 0.00 0.00 57.16 52.19 2poa n GLU 54 Cb 0.47 -2.31 -0.04 0.00 -0.57 0.00 0.00 31.44 28.99 2poa n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2poa s SER 55 N -1.44 4.89 0.25 1.62 0.01 -0.20 -4.13 113.70 114.70 2poa s SER 55 Ca 0.28 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2poa s SER 55 Cb -0.02 -0.56 0.29 0.00 0.21 0.00 0.00 66.02 65.94 2poa s SER 55 CO -0.14 -0.61 1.91 0.74 0.41 0.00 0.00 173.24 175.56 2poa h THR 56 N 1.15 1.20 0.01 1.44 2.02 -1.94 -2.93 112.91 113.85 2poa h THR 56 Ca -0.42 -0.44 -0.25 0.00 0.77 0.00 0.00 66.41 66.07 2poa h THR 56 Cb 1.26 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2poa h THR 56 CO 0.61 0.23 -1.39 0.49 0.37 0.00 0.00 175.52 175.83 2poa n PHE 57 N -4.44 0.95 -3.27 3.16 3.01 -1.26 -4.71 117.46 110.91 2poa n PHE 57 Ca 0.12 0.40 -0.46 0.00 1.01 0.00 0.00 57.45 58.53 2poa n PHE 57 Cb 0.06 -1.10 -0.01 0.00 -0.01 0.00 0.00 39.48 38.42 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2poa s LYS 58 N -2.38 3.85 -1.01 -1.08 1.02 -1.24 -4.66 119.74 114.24 2poa s LYS 58 Ca -0.29 -2.68 -0.12 0.00 0.02 0.00 0.00 55.97 52.90 2poa s LYS 58 Cb 0.07 -4.56 0.23 0.00 -0.52 0.00 0.00 37.83 33.05 2poa s LYS 58 CO 0.59 -1.35 1.03 0.54 -0.92 0.00 0.00 175.35 175.24 2poa s ASN 59 N 2.04 7.04 -0.08 2.83 4.22 -1.11 -1.03 114.94 128.85 2poa s ASN 59 Ca 0.25 -3.07 -0.25 0.00 -2.14 0.00 0.00 52.86 47.65 2poa s ASN 59 Cb -0.09 -2.25 0.06 0.00 1.28 0.00 0.00 41.25 40.25 2poa s ASN 59 CO -0.08 -0.51 0.57 -1.48 -2.04 0.00 0.00 177.10 173.56 2poa s LEU 60 N -0.10 -0.21 -0.12 3.54 0.05 0.63 -4.98 118.68 117.49 2poa s LEU 60 Ca 0.28 0.68 -0.06 0.00 0.05 0.00 0.00 54.13 55.07 2poa s LEU 60 Cb -0.09 2.12 -0.04 0.00 -2.05 0.00 0.00 46.19 46.13 2poa s LEU 60 CO -0.08 -0.48 0.11 -0.94 -0.55 0.00 0.00 176.35 174.41 2poa s SER 61 N -0.88 6.11 -0.08 1.48 1.04 -1.26 -1.63 113.70 118.48 2poa s SER 61 Ca -0.09 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.71 2poa s SER 61 Cb -0.02 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.17 2poa s SER 61 CO 0.06 0.37 -0.08 0.68 0.98 0.00 0.00 173.24 175.26 2poa s VAL 62 N -0.81 0.92 -0.03 5.02 -7.23 -0.55 -5.00 120.40 112.72 2poa s VAL 62 Ca 0.13 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 2poa s VAL 62 Cb -0.12 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 2poa s VAL 62 CO 0.03 0.33 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.25 2poa s THR 63 N 1.18 4.15 -0.19 5.32 2.01 -1.26 -1.44 115.64 125.41 2poa s THR 63 Ca -0.05 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 2poa s THR 63 Cb -0.14 -2.81 0.09 0.00 0.01 0.00 0.00 72.50 69.65 2poa s THR 63 CO -0.02 0.45 0.83 0.72 -0.69 0.00 0.00 174.62 175.92 2poa s PHE 64 N -1.01 -0.60 0.33 4.92 -0.12 -0.17 -4.74 117.98 116.59 2poa s PHE 64 Ca 0.17 1.29 0.09 0.00 -0.05 0.00 0.00 56.93 58.43 2poa s PHE 64 Cb -0.11 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 2poa s PHE 64 CO 0.07 -0.40 0.04 -1.59 -0.05 0.00 0.00 175.22 173.29 2poa s LYS 65 N -0.36 2.15 -1.13 1.99 -2.85 -1.26 -1.27 119.74 117.00 2poa s LYS 65 Ca -0.03 -1.68 -0.22 0.00 -1.00 0.00 0.00 55.97 53.05 2poa s LYS 65 Cb -0.03 -2.00 -0.08 0.00 -2.06 0.00 0.00 37.83 33.66 2poa s LYS 65 CO 0.02 0.15 1.91 1.97 0.10 0.00 0.00 175.35 179.50 2poa n PHE 66 N -0.99 2.83 0.00 1.78 1.16 -1.26 -3.10 117.46 117.88 2poa n PHE 66 Ca -0.04 -1.73 0.00 0.00 -1.87 0.00 0.00 57.45 53.81 2poa n PHE 66 Cb 0.62 -2.46 0.00 0.00 -1.61 0.00 0.00 39.48 36.03 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 5.47 -0.33 3.67 4.97 0.00 -1.08 -4.90 105.19 112.99 2poa n GLY 67 Ca 0.46 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 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 4.33 -0.41 1.61 0.41 -1.18 -4.81 118.70 118.65 2poa s GLU 68 Ca 0.00 1.42 -0.28 0.00 -0.41 0.00 0.00 54.97 55.70 2poa s GLU 68 Cb 0.00 -3.61 0.02 0.00 -1.78 0.00 0.00 34.13 28.76 2poa s GLU 68 CO 0.00 -0.51 1.04 -1.83 -0.49 0.00 0.00 175.26 173.48 2poa s GLU 69 N 2.71 3.82 0.30 1.61 1.03 -1.26 -4.32 118.70 122.59 2poa s GLU 69 Ca 0.47 0.66 -0.28 0.00 0.03 0.00 0.00 54.97 55.85 2poa s GLU 69 Cb -0.17 -3.84 -0.09 0.00 -0.80 0.00 0.00 34.13 29.23 2poa s GLU 69 CO 0.12 -1.12 1.04 -0.59 -1.33 0.00 0.00 175.26 173.38 2poa s PHE 70 N 3.91 3.63 0.32 4.83 -0.71 -1.06 -4.70 117.98 124.19 2poa s PHE 70 Ca 0.43 1.75 -0.22 0.00 -1.04 0.00 0.00 56.93 57.86 2poa s PHE 70 Cb -0.10 -3.15 -0.09 0.00 -1.21 0.00 0.00 43.02 38.47 2poa s PHE 70 CO 0.23 -0.25 0.85 0.16 -1.34 0.00 0.00 175.22 174.87 2poa s ASP 71 N -1.15 7.09 -0.27 1.98 -4.77 -1.26 -1.76 116.67 116.53 2poa s ASP 71 Ca 0.47 1.60 -0.00 0.00 -3.30 0.00 0.00 52.55 51.32 2poa s ASP 71 Cb -0.27 -2.49 0.08 0.00 -1.09 0.00 0.00 42.92 39.14 2poa s ASP 71 CO 0.35 -0.12 0.03 -0.70 0.70 0.00 0.00 175.17 175.43 2poa s GLU 72 N -2.40 1.11 -0.42 2.11 2.56 0.09 -4.90 118.70 116.85 2poa s GLU 72 Ca 0.51 -1.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.23 2poa s GLU 72 Cb -0.15 -2.37 0.02 0.00 2.00 0.00 0.00 34.13 33.63 2poa s GLU 72 CO 0.20 -0.79 0.66 0.21 -0.56 0.00 0.00 175.26 174.98 2poa s LYS 73 N 1.49 3.39 -0.00 4.30 2.20 -1.26 -1.15 119.74 128.71 2poa s LYS 73 Ca 0.03 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.32 2poa s LYS 73 Cb -0.18 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 2poa s LYS 73 CO -0.13 -0.97 0.29 0.95 -0.36 0.00 0.00 175.35 175.12 2poa s THR 74 N 2.87 5.27 0.34 3.43 -4.23 -0.75 -4.98 115.64 117.58 2poa s THR 74 Ca 0.24 0.30 0.38 0.00 -1.18 0.00 0.00 61.69 61.43 2poa s THR 74 Cb -0.14 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.52 2poa s THR 74 CO 0.19 0.42 2.14 -1.28 -0.54 0.00 0.00 174.62 175.55 2poa h SER 75 N 4.19 0.00 -0.48 3.99 0.87 -1.90 -1.31 113.55 118.90 2poa h SER 75 Ca -0.51 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.07 2poa h SER 75 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2poa h SER 75 CO 0.64 0.00 0.32 -0.78 -0.53 0.00 0.00 176.83 176.49 2poa h ASP 76 N 0.00 0.50 0.00 6.23 3.58 -1.94 -3.47 116.42 121.32 2poa h ASP 76 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2poa h ASP 76 Cb 0.17 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2poa h ASP 76 CO 0.00 0.35 0.00 0.61 -2.88 0.00 0.00 179.24 177.32 2poa n GLY 77 N -1.48 0.67 3.44 -0.78 0.00 -0.49 -4.54 105.19 102.01 2poa n GLY 77 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.27 2poa n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2poa s ARG 78 N -1.08 0.28 -0.27 1.61 1.70 -1.25 -4.99 118.95 114.94 2poa s ARG 78 Ca 0.00 0.65 -0.29 0.00 -0.47 0.00 0.00 55.73 55.62 2poa s ARG 78 Cb 0.00 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2poa s ARG 78 CO 0.00 -0.09 1.08 1.21 -1.08 0.00 0.00 175.30 176.43 2poa s ASN 79 N 2.17 6.99 0.39 -2.89 3.84 -1.26 -1.81 114.94 122.36 2poa s ASN 79 Ca -0.04 1.23 0.08 0.00 0.21 0.00 0.00 52.86 54.34 2poa s ASN 79 Cb -0.05 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.06 2poa s ASN 79 CO -0.17 -0.80 0.16 0.68 -2.79 0.00 0.00 177.10 174.18 2poa s VAL 80 N 3.50 2.49 0.45 -5.21 -7.23 -0.30 -4.64 120.40 109.45 2poa s VAL 80 Ca 0.46 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2poa s VAL 80 Cb -0.14 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2poa s VAL 80 CO 0.12 -0.06 0.03 -0.54 -0.31 0.00 0.00 175.10 174.34 2poa s LYS 81 N -3.88 2.03 -0.29 4.82 1.02 -0.26 -0.73 119.74 122.45 2poa s LYS 81 Ca 0.40 -2.23 -0.01 0.00 0.02 0.00 0.00 55.97 54.14 2poa s LYS 81 Cb 0.02 -1.33 0.18 0.00 -0.52 0.00 0.00 37.83 36.18 2poa s LYS 81 CO 0.22 -0.28 0.56 -1.12 -0.92 0.00 0.00 175.35 173.82 2poa s SER 82 N -3.74 -1.12 -0.35 2.83 0.01 -0.72 -0.39 113.70 110.22 2poa s SER 82 Ca 0.20 0.77 -0.22 0.00 1.31 0.00 0.00 55.95 58.01 2poa s SER 82 Cb 0.05 2.00 0.00 0.00 0.21 0.00 0.00 66.02 68.28 2poa s SER 82 CO 0.10 -0.27 0.72 0.54 0.41 0.00 0.00 173.24 174.74 2poa s VAL 83 N 2.81 4.82 -0.22 3.43 0.11 -0.61 -2.55 120.40 128.18 2poa s VAL 83 Ca 0.20 0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 59.92 2poa s VAL 83 Cb -0.15 -4.13 -0.04 0.00 -1.53 0.00 0.00 36.38 30.53 2poa s VAL 83 CO -0.20 -0.33 0.38 -0.69 -3.33 0.00 0.00 175.10 170.92 2poa s VAL 84 N 2.89 5.20 -0.19 2.04 1.01 -1.26 -1.65 120.40 128.44 2poa s VAL 84 Ca 0.28 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 2poa s VAL 84 Cb -0.14 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2poa s VAL 84 CO 0.15 0.23 0.06 -0.70 0.00 0.00 0.00 175.10 174.84 2poa s GLU 85 N 1.52 0.38 -0.43 2.72 2.12 -1.26 -2.63 118.70 121.12 2poa s GLU 85 Ca 0.17 -0.27 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 2poa s GLU 85 Cb -0.15 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.29 2poa s GLU 85 CO 0.08 -0.66 0.95 0.21 -0.54 0.00 0.00 175.26 175.30 2poa s LYS 86 N 1.99 3.68 0.00 4.30 2.20 -1.26 -0.74 119.74 129.90 2poa s LYS 86 Ca 0.01 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2poa s LYS 86 Cb -0.17 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 2poa s LYS 86 CO -0.09 -1.13 0.00 -1.71 -0.36 0.00 0.00 175.35 172.06 2poa n ASN 87 N 7.08 0.00 -4.79 1.43 5.15 0.26 -5.00 115.26 119.39 2poa n ASN 87 Ca 0.07 0.20 -0.23 0.00 -0.60 0.00 0.00 54.58 54.03 2poa n ASN 87 Cb 0.48 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 39.26 2poa n ASN 87 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2poa s SER 88 N -3.14 4.80 0.00 1.20 0.01 -0.88 -4.96 113.70 110.73 2poa s SER 88 Ca 0.00 -0.81 0.08 0.00 1.31 0.00 0.00 55.95 56.53 2poa s SER 88 Cb 0.00 -0.65 0.45 0.00 0.21 0.00 0.00 66.02 66.03 2poa s SER 88 CO 0.00 -0.47 0.91 -0.62 0.41 0.00 0.00 173.24 173.47 2poa n GLU 89 N -1.32 0.24 -2.01 12.44 4.71 -1.26 -1.43 120.64 132.01 2poa n GLU 89 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2poa n GLU 89 Cb 0.62 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.61 2poa n GLU 89 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2poa n SER 90 N -1.00 2.97 -3.15 1.62 2.88 -1.26 -4.65 113.62 111.04 2poa n SER 90 Ca 0.06 -3.04 0.04 0.00 -1.33 0.00 0.00 58.87 54.60 2poa n SER 90 Cb 0.03 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.07 2poa n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2poa s LYS 91 N -3.22 0.45 -0.17 -1.46 2.47 -0.51 -4.06 119.74 113.24 2poa s LYS 91 Ca 0.40 0.69 -0.03 0.00 -1.56 0.00 0.00 55.97 55.47 2poa s LYS 91 Cb 0.37 0.37 0.05 0.00 -1.46 0.00 0.00 37.83 37.17 2poa s LYS 91 CO -0.02 -0.60 0.03 -1.17 0.16 0.00 0.00 175.35 173.75 2poa s LEU 92 N 2.88 1.02 -1.10 5.43 0.20 0.13 -0.58 118.68 126.66 2poa s LEU 92 Ca 0.14 -0.68 -0.07 0.00 0.69 0.00 0.00 54.13 54.21 2poa s LEU 92 Cb -0.12 -0.54 0.29 0.00 -0.43 0.00 0.00 46.19 45.39 2poa s LEU 92 CO -0.20 -0.29 1.29 1.07 -0.29 0.00 0.00 176.35 177.93 2poa n THR 93 N 5.08 4.94 -0.97 3.68 5.66 0.08 -0.22 114.28 132.53 2poa n THR 93 Ca -0.08 -5.65 -0.15 0.00 -3.05 0.00 0.00 64.05 55.11 2poa n THR 93 Cb 0.48 -2.35 -0.13 0.00 -1.55 0.00 0.00 70.33 66.78 2poa n THR 93 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2poa n GLN 94 N 2.03 2.11 -1.70 1.09 7.27 -1.23 -4.07 117.38 122.87 2poa n GLN 94 Ca 0.25 -1.11 -0.42 0.00 0.07 0.00 0.00 57.00 55.78 2poa n GLN 94 Cb 0.36 -2.09 -0.03 0.00 2.41 0.00 0.00 30.24 30.89 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 1.37 3.08 -0.21 1.69 2.01 -0.66 -4.10 115.64 118.82 2poa s THR 95 Ca 0.62 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 2poa s THR 95 Cb 0.27 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.71 2poa s THR 95 CO -0.01 -0.02 0.99 -1.10 -0.69 0.00 0.00 174.62 173.79 2poa s GLN 96 N 4.92 4.28 -0.99 4.92 -0.21 -1.26 -1.58 119.66 129.75 2poa s GLN 96 Ca 0.90 1.28 -0.11 0.00 0.02 0.00 0.00 55.36 57.45 2poa s GLN 96 Cb -0.39 -3.62 0.25 0.00 1.00 0.00 0.00 33.01 30.25 2poa s GLN 96 CO 0.39 -0.54 0.95 0.08 -2.12 0.00 0.00 175.29 174.05 2poa s VAL 97 N 2.88 5.77 0.62 1.09 1.01 0.48 -1.78 120.40 130.46 2poa s VAL 97 Ca 0.43 -3.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.30 2poa s VAL 97 Cb -0.16 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.74 2poa s VAL 97 CO 0.09 -1.12 0.93 -1.81 0.00 0.00 0.00 175.10 173.19 2poa s ASP 98 N 1.60 5.40 0.00 3.32 1.11 -1.26 -1.10 116.67 125.74 2poa s ASP 98 Ca 0.25 0.64 0.00 0.00 0.18 0.00 0.00 52.55 53.63 2poa s ASP 98 Cb -0.10 -1.55 0.00 0.00 1.07 0.00 0.00 42.92 42.34 2poa s ASP 98 CO -0.08 -1.20 0.93 -0.81 1.18 0.00 0.00 175.17 175.18 2poa n PRO 99 N -2.67 0.00 0.00 8.23 -0.04 -1.26 -1.25 135.00 138.01 2poa n PRO 99 Ca 0.05 0.43 0.05 0.00 -0.04 0.00 0.00 63.50 64.00 2poa n PRO 99 Cb 0.58 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.43 2.32 -1.31 0.54 0.00 -1.26 -5.13 118.16 111.90 2poa n LYS 100 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 58.31 57.79 2poa n LYS 100 Cb 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.40 -5.15 -4.81 3.14 3.02 -0.38 -5.05 115.26 105.63 2poa n ASN 101 Ca 0.04 0.67 -0.36 0.00 -0.03 0.00 0.00 54.58 54.90 2poa n ASN 101 Cb 0.21 -2.81 -0.07 0.00 -0.61 0.00 0.00 39.78 36.50 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 -0.24 5.44 0.73 3.41 2.01 -0.73 -4.85 115.64 121.40 2poa s THR 102 Ca 0.00 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 2poa s THR 102 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.12 2poa s THR 102 CO 0.00 0.54 1.08 -0.89 -0.69 0.00 0.00 174.62 174.66 2poa s THR 103 N -0.42 3.68 -0.70 -0.82 2.01 -1.17 -4.10 115.64 114.12 2poa s THR 103 Ca 0.12 0.55 -0.35 0.00 0.31 0.00 0.00 61.69 62.32 2poa s THR 103 Cb -0.12 -3.16 -0.18 0.00 0.01 0.00 0.00 72.50 69.05 2poa s THR 103 CO 0.01 -0.71 2.43 1.33 -0.69 0.00 0.00 174.62 176.99 2poa n VAL 104 N -3.30 0.02 -2.95 3.82 0.24 -1.26 -4.55 118.33 110.35 2poa n VAL 104 Ca 0.08 -0.13 -0.44 0.00 -2.04 0.00 0.00 64.34 61.81 2poa n VAL 104 Cb 0.53 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 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 7.23 4.43 -1.62 1.34 -0.00 -1.26 -4.47 119.36 125.00 2poa n ILE 105 Ca 0.56 -4.93 -0.44 0.00 -0.00 0.00 0.00 62.75 57.94 2poa n ILE 105 Cb 0.10 -2.45 -0.04 0.00 -0.00 0.00 0.00 39.64 37.25 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 2poa n VAL 106 N 3.69 0.53 -3.26 7.28 0.24 -1.25 -3.52 118.33 122.04 2poa n VAL 106 Ca 0.33 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.93 2poa n VAL 106 Cb 0.40 -2.30 -0.08 0.00 -1.47 0.00 0.00 33.84 30.39 2poa n VAL 106 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2poa s ARG 107 N 5.30 3.14 0.24 7.34 0.52 0.69 -1.72 118.95 134.46 2poa s ARG 107 Ca 0.96 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 2poa s ARG 107 Cb -0.47 -3.97 -0.00 0.00 0.52 0.00 0.00 34.95 31.04 2poa s ARG 107 CO 0.41 -0.90 0.02 0.39 0.02 0.00 0.00 175.30 175.24 2poa n GLU 108 N 5.79 1.27 -3.68 3.54 1.02 -0.71 -0.69 120.64 127.18 2poa n GLU 108 Ca -0.06 -1.78 -0.09 0.00 -0.02 0.00 0.00 57.16 55.21 2poa n GLU 108 Cb 0.47 0.57 -0.10 0.00 -0.02 0.00 0.00 31.44 32.37 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2poa s VAL 109 N -1.97 -0.02 -0.82 2.62 0.11 -1.26 -2.21 120.40 116.86 2poa s VAL 109 Ca 0.02 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2poa s VAL 109 Cb 0.00 -0.72 0.35 0.00 -1.53 0.00 0.00 36.38 34.48 2poa s VAL 109 CO 0.02 0.03 1.77 0.47 -3.33 0.00 0.00 175.10 174.05 2poa n ASP 110 N 4.25 6.87 -1.70 3.54 9.92 -0.85 -4.81 116.55 133.76 2poa n ASP 110 Ca -0.22 -3.77 -0.01 0.00 -0.53 0.00 0.00 54.79 50.26 2poa n ASP 110 Cb 0.56 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 2poa n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2poa n GLY 111 N -0.39 -0.65 4.01 0.44 0.00 -1.26 -4.47 105.19 102.89 2poa n GLY 111 Ca 0.48 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.71 -0.13 -3.30 1.61 9.92 -1.26 -4.99 116.55 117.68 2poa n ASP 112 Ca 0.01 -1.05 -0.15 0.00 -0.53 0.00 0.00 54.79 53.07 2poa n ASP 112 Cb 0.23 -2.80 -0.06 0.00 -0.64 0.00 0.00 41.12 37.84 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2poa s THR 113 N -4.03 -0.40 -1.02 -3.53 -1.32 -1.25 -4.74 115.64 99.35 2poa s THR 113 Ca 0.01 -1.04 -0.23 0.00 -1.21 0.00 0.00 61.69 59.21 2poa s THR 113 Cb -0.00 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.41 2poa s THR 113 CO 0.91 -0.54 1.66 -0.04 -2.21 0.00 0.00 174.62 174.41 2poa s MET 114 N 1.29 3.24 -0.84 7.08 -1.94 -0.23 -2.01 119.30 125.88 2poa s MET 114 Ca 0.19 -0.95 -0.24 0.00 -1.71 0.00 0.00 55.69 52.99 2poa s MET 114 Cb -0.11 -5.28 0.05 0.00 2.01 0.00 0.00 34.83 31.51 2poa s MET 114 CO -0.04 -2.69 1.26 -1.59 -0.01 0.00 0.00 175.02 171.95 2poa s LYS 115 N 5.63 3.35 -0.90 2.03 -2.85 -0.94 -3.66 119.74 122.41 2poa s LYS 115 Ca 0.56 -0.80 -0.18 0.00 -1.00 0.00 0.00 55.97 54.55 2poa s LYS 115 Cb -0.02 -4.66 0.15 0.00 -2.06 0.00 0.00 37.83 31.25 2poa s LYS 115 CO -0.04 -2.07 1.03 -0.08 0.10 0.00 0.00 175.35 174.29 2poa s THR 116 N 4.86 4.94 -0.85 3.79 -1.32 -0.21 -1.73 115.64 125.12 2poa s THR 116 Ca 0.36 -1.77 -0.25 0.00 -1.21 0.00 0.00 61.69 58.82 2poa s THR 116 Cb -0.07 -4.70 0.02 0.00 -1.51 0.00 0.00 72.50 66.25 2poa s THR 116 CO 0.03 -1.39 1.51 -0.89 -2.21 0.00 0.00 174.62 171.68 2poa s THR 117 N 2.09 3.71 -0.58 5.08 2.01 -0.70 -2.95 115.64 124.30 2poa s THR 117 Ca 0.29 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 2poa s THR 117 Cb -0.06 -4.72 0.05 0.00 0.01 0.00 0.00 72.50 67.78 2poa s THR 117 CO -0.09 -1.64 0.92 0.54 -0.69 0.00 0.00 174.62 173.67 2poa s VAL 118 N 6.50 4.41 0.13 3.82 0.11 -0.28 -3.87 120.40 131.21 2poa s VAL 118 Ca 0.48 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.65 2poa s VAL 118 Cb -0.06 -4.56 -0.04 0.00 -1.53 0.00 0.00 36.38 30.20 2poa s VAL 118 CO 0.04 -1.18 -0.01 0.28 -3.33 0.00 0.00 175.10 170.91 2poa s THR 119 N 3.88 3.83 -0.42 5.04 -1.32 -1.26 -0.26 115.64 125.12 2poa s THR 119 Ca 0.27 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.60 2poa s THR 119 Cb -0.14 -2.86 0.18 0.00 -1.51 0.00 0.00 72.50 68.17 2poa s THR 119 CO 0.16 0.02 0.42 0.52 -2.21 0.00 0.00 174.62 173.54 2poa n VAL 120 N 0.29 -0.98 0.00 5.08 0.31 -1.26 -3.03 118.33 118.73 2poa n VAL 120 Ca -0.11 -3.11 0.00 0.00 -0.01 0.00 0.00 64.34 61.11 2poa n VAL 120 Cb 0.53 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 2.68 0.92 2.51 2.92 0.00 -1.26 -4.41 105.19 108.55 2poa n GLY 121 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 2.08 -1.42 0.08 1.61 5.68 -1.26 -5.01 116.55 118.30 2poa n ASP 122 Ca 0.00 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 2poa n ASP 122 Cb 0.00 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2poa n VAL 123 N -1.41 0.24 -2.78 2.12 0.31 -1.26 -5.13 118.33 110.42 2poa n VAL 123 Ca -0.19 0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 2poa n VAL 123 Cb 0.86 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 -3.13 -9.48 -3.34 2.52 -1.04 -1.19 -4.98 114.28 93.64 2poa n THR 124 Ca 0.00 0.24 -0.44 0.00 -2.04 0.00 0.00 64.05 61.81 2poa n THR 124 Cb 0.00 -6.69 -0.08 0.00 -1.82 0.00 0.00 70.33 61.74 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 -2.74 3.50 -0.87 2.41 0.00 0.64 -4.83 121.76 119.87 2poa s ALA 125 Ca 0.10 -1.93 -0.25 0.00 0.00 0.00 0.00 51.96 49.88 2poa s ALA 125 Cb -0.03 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2poa s ALA 125 CO 0.66 -1.75 1.55 -1.50 0.00 0.00 0.00 175.76 174.73 2poa s ILE 126 N 1.91 3.70 -0.80 0.00 2.07 -1.26 -1.12 121.20 125.71 2poa s ILE 126 Ca 0.07 -0.25 -0.22 0.00 -1.41 0.00 0.00 60.65 58.83 2poa s ILE 126 Cb -0.22 -4.68 0.08 0.00 0.13 0.00 0.00 42.46 37.77 2poa s ILE 126 CO 0.09 -1.60 1.13 -0.13 -1.91 0.00 0.00 174.94 172.52 2poa s ARG 127 N 5.83 3.32 0.39 3.50 0.52 -1.15 -4.25 118.95 127.11 2poa s ARG 127 Ca 0.50 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 2poa s ARG 127 Cb -0.05 -4.57 -0.10 0.00 0.52 0.00 0.00 34.95 30.76 2poa s ARG 127 CO 0.02 -1.92 0.86 -0.80 0.02 0.00 0.00 175.30 173.48 2poa s ASN 128 N 3.88 6.82 -0.11 0.23 0.01 -1.24 -1.04 114.94 123.50 2poa s ASN 128 Ca 0.31 1.49 -0.22 0.00 -0.71 0.00 0.00 52.86 53.72 2poa s ASN 128 Cb -0.10 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.15 2poa s ASN 128 CO 0.03 -0.32 0.55 -0.31 -1.51 0.00 0.00 177.10 175.53 2poa s TYR 129 N -2.15 -0.54 -0.11 2.20 2.02 -1.24 0.02 117.35 117.55 2poa s TYR 129 Ca 0.58 1.11 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 2poa s TYR 129 Cb -0.10 0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.73 2poa s TYR 129 CO 0.17 -0.42 -0.19 0.21 -1.57 0.00 0.00 175.55 173.75 2poa s LYS 130 N -0.57 2.54 0.05 -0.62 2.47 -1.15 -1.07 119.74 121.39 2poa s LYS 130 Ca -0.07 -0.69 -0.31 0.00 -1.56 0.00 0.00 55.97 53.35 2poa s LYS 130 Cb -0.03 -2.05 -0.06 0.00 -1.46 0.00 0.00 37.83 34.23 2poa s LYS 130 CO 0.05 0.02 1.39 0.50 0.16 0.00 0.00 175.35 177.47 2poa s ARG 131 N 0.74 4.30 -0.04 4.03 3.52 -1.26 -3.81 118.95 126.44 2poa s ARG 131 Ca -0.11 2.00 0.05 0.00 -0.13 0.00 0.00 55.73 57.54 2poa s ARG 131 Cb -0.16 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2poa s ARG 131 CO 0.02 -0.51 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.30 2poa s LEU 132 N 1.88 2.48 0.00 -0.88 1.43 -0.08 -5.01 118.68 118.49 2poa s LEU 132 Ca 0.64 -0.30 0.13 0.00 -1.03 0.00 0.00 54.13 53.57 2poa s LEU 132 Cb -0.33 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.52 2poa s LEU 132 CO 0.28 0.34 0.91 -1.54 0.23 0.00 0.00 176.35 176.57