#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 -0.37 0.06 6.12 3.41 -1.26 -4.87 113.62 116.71 2poa n SER 2 Ca 0.00 0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.84 2poa n SER 2 Cb 0.00 0.49 0.09 0.00 -0.26 0.00 0.00 64.21 64.53 2poa n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2poa h SER 3 N 0.00 0.39 -2.02 4.04 0.87 -2.01 -3.37 113.55 111.46 2poa h SER 3 Ca 0.00 -0.22 -0.76 0.00 -1.23 0.00 0.00 61.79 59.58 2poa h SER 3 Cb 0.00 -0.11 -0.29 0.00 -0.44 0.00 0.00 62.40 61.56 2poa h SER 3 CO 0.00 0.90 0.85 2.22 -0.53 0.00 0.00 176.83 180.27 2poa n PHE 4 N -3.89 3.01 -2.24 2.24 -1.74 -1.26 -5.03 117.46 108.53 2poa n PHE 4 Ca -0.03 -2.50 -0.41 0.00 -0.56 0.00 0.00 57.45 53.95 2poa n PHE 4 Cb 0.62 -1.07 -0.03 0.00 1.52 0.00 0.00 39.48 40.52 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 -4.07 4.43 0.00 5.98 1.43 -1.26 -2.80 118.68 122.39 2poa s LEU 5 Ca 0.49 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 2poa s LEU 5 Cb 0.38 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2poa s LEU 5 CO -0.33 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2poa n GLY 6 N 2.06 0.22 3.71 -3.19 0.00 0.09 -4.90 105.19 103.18 2poa n GLY 6 Ca 0.05 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.00 4.49 -0.21 1.61 -2.85 -1.23 -0.75 119.74 118.80 2poa s LYS 7 Ca 0.00 1.15 0.01 0.00 -1.00 0.00 0.00 55.97 56.13 2poa s LYS 7 Cb 0.00 -3.46 0.05 0.00 -2.06 0.00 0.00 37.83 32.36 2poa s LYS 7 CO 0.00 -0.01 -0.09 -1.58 0.10 0.00 0.00 175.35 173.77 2poa s TRP 8 N 0.98 2.40 0.06 1.78 0.51 -1.24 -0.83 118.94 122.60 2poa s TRP 8 Ca 0.45 -1.62 0.09 0.00 -2.12 0.00 0.00 56.10 52.90 2poa s TRP 8 Cb -0.19 -1.62 -0.03 0.00 -0.81 0.00 0.00 33.47 30.82 2poa s TRP 8 CO 0.23 -0.75 -0.25 -1.59 -0.51 0.00 0.00 176.95 174.08 2poa s LYS 9 N 1.40 1.77 0.08 4.98 0.00 -0.89 -1.51 119.74 125.57 2poa s LYS 9 Ca -0.02 -1.14 -0.31 0.00 0.00 0.00 0.00 55.97 54.50 2poa s LYS 9 Cb -0.17 -2.01 -0.09 0.00 0.00 0.00 0.00 37.83 35.56 2poa s LYS 9 CO -0.08 0.50 1.76 -1.17 0.00 0.00 0.00 175.35 176.37 2poa s LEU 10 N -1.48 4.39 -0.10 2.77 2.96 -1.26 -0.60 118.68 125.36 2poa s LEU 10 Ca 0.13 2.61 -0.12 0.00 -0.22 0.00 0.00 54.13 56.53 2poa s LEU 10 Cb -0.10 -3.56 -0.27 0.00 0.50 0.00 0.00 46.19 42.76 2poa s LEU 10 CO 0.04 -0.96 0.51 -1.28 -1.32 0.00 0.00 176.35 173.34 2poa h SER 11 N 8.74 0.43 -3.40 3.68 0.87 -0.67 -3.45 113.55 119.75 2poa h SER 11 Ca -0.45 -0.88 -0.17 0.00 -1.23 0.00 0.00 61.79 59.06 2poa h SER 11 Cb 1.21 -0.14 -0.28 0.00 -0.44 0.00 0.00 62.40 62.75 2poa h SER 11 CO 0.94 1.73 -0.43 -1.83 -0.53 0.00 0.00 176.83 176.71 2poa s GLU 12 N -2.52 0.26 -1.13 2.24 -1.05 -1.15 -5.03 118.70 110.32 2poa s GLU 12 Ca -0.20 0.56 -0.15 0.00 -0.15 0.00 0.00 54.97 55.03 2poa s GLU 12 Cb 0.05 -0.06 0.16 0.00 -0.44 0.00 0.00 34.13 33.84 2poa s GLU 12 CO 0.78 -0.14 1.36 0.45 0.95 0.00 0.00 175.26 178.65 2poa s SER 13 N 1.12 6.95 -0.12 0.83 0.15 -1.26 -3.40 113.70 117.97 2poa s SER 13 Ca -0.08 -2.74 -0.23 0.00 0.70 0.00 0.00 55.95 53.60 2poa s SER 13 Cb -0.09 -2.40 -0.20 0.00 -1.71 0.00 0.00 66.02 61.62 2poa s SER 13 CO -0.08 -0.83 0.65 -0.74 1.20 0.00 0.00 173.24 173.44 2poa h HIS 14 N 7.60 -0.01 -0.19 3.44 2.76 -1.94 -3.35 115.15 123.47 2poa h HIS 14 Ca 0.28 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.29 2poa h HIS 14 Cb 0.91 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.72 2poa h HIS 14 CO 1.12 0.76 -0.66 0.09 -1.30 0.00 0.00 177.93 177.94 2poa n ASN 15 N -4.67 2.38 -4.06 3.26 3.02 -1.26 -4.93 115.26 109.00 2poa n ASN 15 Ca -0.08 -3.58 -0.43 0.00 -0.03 0.00 0.00 54.58 50.45 2poa n ASN 15 Cb 0.37 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2poa n PHE 16 N -0.83 3.30 0.07 3.10 7.35 -1.26 -4.45 117.46 124.75 2poa n PHE 16 Ca 0.23 -2.94 0.00 0.00 -0.76 0.00 0.00 57.45 53.98 2poa n PHE 16 Cb 0.81 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.92 2poa n PHE 16 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2poa n ASP 17 N 3.13 -0.19 0.17 -2.13 2.03 -1.26 -4.54 116.55 113.75 2poa n ASP 17 Ca 0.33 0.24 0.12 0.00 0.52 0.00 0.00 54.79 56.00 2poa n ASP 17 Cb 0.36 0.30 0.24 0.00 -0.72 0.00 0.00 41.12 41.30 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2poa h ALA 18 N 0.00 0.95 -0.91 -1.67 0.00 -1.97 -3.36 119.26 112.30 2poa h ALA 18 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2poa h ALA 18 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 2poa h ALA 18 CO 0.00 0.00 0.51 -0.24 0.00 0.00 0.00 179.25 179.52 2poa h VAL 19 N 0.00 0.76 0.06 0.00 3.04 -1.92 0.18 116.25 118.37 2poa h VAL 19 Ca 0.00 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2poa h VAL 19 Cb 0.90 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2poa h VAL 19 CO 0.00 0.13 -0.03 0.24 -1.01 0.00 0.00 177.57 176.90 2poa h MET 20 N 0.71 -0.08 -0.94 4.17 2.86 -1.95 -3.25 114.93 116.45 2poa h MET 20 Ca 0.49 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 58.36 2poa h MET 20 Cb 0.68 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.24 2poa h MET 20 CO -0.35 0.36 0.48 0.66 1.06 0.00 0.00 176.91 179.12 2poa h SER 21 N -0.56 0.50 0.57 1.22 4.64 -1.54 -1.54 113.55 116.84 2poa h SER 21 Ca -0.01 0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2poa h SER 21 Cb 0.48 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2poa h SER 21 CO 0.01 0.08 -0.41 0.07 -0.87 0.00 0.00 176.83 175.71 2poa h LYS 22 N 0.51 0.00 -0.73 4.77 5.09 -0.81 -2.24 116.57 123.16 2poa h LYS 22 Ca 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 61.28 2poa h LYS 22 Cb 1.07 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.37 2poa h LYS 22 CO -0.48 0.41 0.29 1.25 -2.09 0.00 0.00 179.45 178.82 2poa h LEU 23 N 0.00 1.01 0.00 7.07 5.85 -1.35 -3.49 115.31 124.40 2poa h LEU 23 Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2poa h LEU 23 Cb 0.80 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2poa h LEU 23 CO 0.05 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.67 2poa n GLY 24 N -0.85 0.54 3.47 3.75 0.00 -0.67 -4.80 105.19 106.63 2poa n GLY 24 Ca 0.06 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.36 3.08 0.62 1.61 1.01 -1.24 -5.01 120.40 120.11 2poa s VAL 25 Ca 0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 2poa s VAL 25 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2poa s VAL 25 CO 0.00 0.59 1.32 -1.20 0.00 0.00 0.00 175.10 175.80 2poa n SER 26 N 2.40 2.26 -3.88 3.32 7.64 -1.26 -4.58 113.62 119.51 2poa n SER 26 Ca -0.17 0.87 -0.42 0.00 1.01 0.00 0.00 58.87 60.15 2poa n SER 26 Cb 0.52 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2poa n SER 26 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2poa n TRP 27 N -1.69 3.73 0.00 1.43 7.02 -1.26 -1.35 117.44 125.32 2poa n TRP 27 Ca 0.15 -2.95 0.00 0.00 -1.02 0.00 0.00 57.50 53.67 2poa n TRP 27 Cb 0.47 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.80 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 6.45 0.00 -0.16 6.99 0.00 -1.26 -4.92 120.51 127.61 2poa n ALA 28 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 2poa n ALA 28 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.27 -0.01 0.00 1.35 -1.84 -0.30 112.91 113.37 2poa h THR 29 Ca 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2poa h THR 29 Cb 0.00 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2poa h THR 29 CO 0.00 0.48 0.03 -0.09 -0.25 0.00 0.00 175.52 175.69 2poa h ARG 30 N 0.87 0.00 0.00 4.72 1.12 -1.46 -1.81 114.38 117.82 2poa h ARG 30 Ca 0.11 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.90 2poa h ARG 30 Cb 0.80 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 2poa h ARG 30 CO 0.07 0.00 -0.65 1.96 -3.11 0.00 0.00 179.97 178.23 2poa h GLN 31 N 0.00 0.00 -0.89 0.20 7.50 -1.73 -3.39 115.11 116.80 2poa h GLN 31 Ca 0.01 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.26 2poa h GLN 31 Cb 0.07 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.53 2poa h GLN 31 CO -0.00 0.45 0.57 0.82 -1.50 0.00 0.00 178.83 179.18 2poa h ILE 32 N -1.00 0.94 -0.60 2.54 2.04 -1.07 -2.16 117.51 118.20 2poa h ILE 32 Ca -0.12 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2poa h ILE 32 Cb 0.77 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2poa h ILE 32 CO -0.07 0.15 -0.36 0.61 0.00 0.00 0.00 178.15 178.48 2poa n GLY 33 N -1.41 -2.59 2.83 5.37 0.00 -0.68 -1.51 105.19 107.19 2poa n GLY 33 Ca 0.16 0.91 -0.38 0.00 0.00 0.00 0.00 46.02 46.70 2poa n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2poa n ASN 34 N -4.38 7.28 0.04 1.61 6.94 -1.05 -4.46 115.26 121.24 2poa n ASN 34 Ca 0.01 -3.82 0.00 0.00 -0.02 0.00 0.00 54.58 50.75 2poa n ASN 34 Cb 0.16 -1.00 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 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 -0.56 0.00 -3.26 5.53 -1.04 -0.84 -5.02 114.28 109.09 2poa n THR 35 Ca 0.53 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 62.09 2poa n THR 35 Cb 0.31 -0.09 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 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 -1.24 5.09 -0.36 12.58 1.01 -0.57 -4.98 120.40 131.93 2poa s VAL 36 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 61.98 60.39 2poa s VAL 36 Cb 0.00 -4.35 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 2poa s VAL 36 CO 0.00 -0.89 2.22 0.35 0.00 0.00 0.00 175.10 176.77 2poa n THR 37 N 5.34 0.18 -1.46 3.92 -2.24 -1.26 -4.72 114.28 114.04 2poa n THR 37 Ca -0.12 -0.29 -0.51 0.00 -2.27 0.00 0.00 64.05 60.86 2poa n THR 37 Cb 0.41 -1.71 -0.07 0.00 -2.10 0.00 0.00 70.33 66.86 2poa n THR 37 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2poa n PRO 38 N 8.28 1.08 -1.82 -0.78 -0.01 -1.26 -4.26 135.00 136.22 2poa n PRO 38 Ca 0.41 0.30 -0.41 0.00 -0.01 0.00 0.00 63.50 63.80 2poa n PRO 38 Cb 0.25 -2.42 -0.01 0.00 -0.01 0.00 0.00 33.50 31.31 2poa n PRO 38 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 2poa n THR 39 N 6.98 4.40 -2.82 3.45 -1.04 -1.26 -4.05 114.28 119.95 2poa n THR 39 Ca 0.40 -3.58 -0.43 0.00 -2.04 0.00 0.00 64.05 58.40 2poa n THR 39 Cb 0.22 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.30 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 1.04 4.55 -0.64 12.58 -7.23 -0.57 -2.68 120.40 127.45 2poa s VAL 40 Ca 0.54 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.97 2poa s VAL 40 Cb 0.15 -4.90 0.16 0.00 0.56 0.00 0.00 36.38 32.35 2poa s VAL 40 CO -0.06 -1.67 0.55 -0.89 -0.31 0.00 0.00 175.10 172.72 2poa s THR 41 N 3.13 4.88 -0.52 5.32 2.01 -1.26 -3.73 115.64 125.48 2poa s THR 41 Ca 0.39 -2.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.04 2poa s THR 41 Cb -0.03 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.43 2poa s THR 41 CO -0.06 -0.91 0.74 0.12 -0.69 0.00 0.00 174.62 173.82 2poa s PHE 42 N 0.77 2.96 -0.03 4.92 2.19 0.07 -0.85 117.98 128.01 2poa s PHE 42 Ca 0.11 -0.35 -0.03 0.00 0.33 0.00 0.00 56.93 56.99 2poa s PHE 42 Cb -0.20 -3.72 0.01 0.00 -1.31 0.00 0.00 43.02 37.79 2poa s PHE 42 CO -0.03 -1.14 0.08 0.95 1.83 0.00 0.00 175.22 176.91 2poa s THR 43 N 3.09 0.00 -0.22 0.12 -4.23 -0.18 -0.73 115.64 113.50 2poa s THR 43 Ca 0.20 -0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 2poa s THR 43 Cb -0.17 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 2poa s THR 43 CO 0.14 -0.02 1.45 -0.32 -0.54 0.00 0.00 174.62 175.34 2poa s MET 44 N -0.02 3.96 -0.78 3.99 1.75 -1.26 -0.04 119.30 126.89 2poa s MET 44 Ca -0.01 1.58 -0.15 0.00 -1.25 0.00 0.00 55.69 55.86 2poa s MET 44 Cb -0.01 -3.93 0.19 0.00 2.84 0.00 0.00 34.83 33.92 2poa s MET 44 CO 0.00 -1.08 0.78 0.34 -0.65 0.00 0.00 175.02 174.41 2poa s ASP 45 N 3.24 6.62 0.00 1.11 2.15 -0.03 -4.86 116.67 124.91 2poa s ASP 45 Ca 0.63 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 51.23 2poa s ASP 45 Cb -0.22 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2poa s ASP 45 CO 0.24 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2poa n GLY 46 N 4.46 2.29 1.23 2.66 0.00 -1.26 -3.76 105.19 110.81 2poa n GLY 46 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2poa n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2poa n ASP 47 N 4.57 0.28 -4.85 1.61 8.00 -1.26 -5.12 116.55 119.79 2poa n ASP 47 Ca 0.00 0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.36 2poa n ASP 47 Cb 0.00 -0.06 0.07 0.00 -0.02 0.00 0.00 41.12 41.11 2poa n ASP 47 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2poa s LYS 48 N -2.00 2.12 0.07 -1.24 -2.85 -1.25 -5.01 119.74 109.59 2poa s LYS 48 Ca 0.00 -1.11 0.03 0.00 -1.00 0.00 0.00 55.97 53.89 2poa s LYS 48 Cb 0.00 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.27 2poa s LYS 48 CO 0.00 -1.05 0.03 -1.64 0.10 0.00 0.00 175.35 172.79 2poa s MET 49 N -4.89 2.74 -0.07 1.78 -1.94 -0.76 -0.85 119.30 115.30 2poa s MET 49 Ca 0.62 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.87 2poa s MET 49 Cb -0.07 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.15 2poa s MET 49 CO 0.41 0.57 -0.03 0.99 -0.01 0.00 0.00 175.02 176.94 2poa s THR 50 N -1.30 0.57 -0.44 2.05 2.01 0.94 -1.13 115.64 118.34 2poa s THR 50 Ca 0.26 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 2poa s THR 50 Cb -0.12 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.77 2poa s THR 50 CO 0.18 0.27 1.08 -0.04 -0.69 0.00 0.00 174.62 175.42 2poa s MET 51 N 1.46 3.77 -1.22 4.92 -1.94 -0.59 -1.01 119.30 124.69 2poa s MET 51 Ca -0.02 0.60 -0.07 0.00 -1.71 0.00 0.00 55.69 54.48 2poa s MET 51 Cb -0.13 -3.87 0.21 0.00 2.01 0.00 0.00 34.83 33.05 2poa s MET 51 CO -0.03 -1.24 1.77 1.28 -0.01 0.00 0.00 175.02 176.79 2poa n LEU 52 N 7.48 6.65 -4.59 -0.03 4.77 -0.03 -1.51 117.00 129.74 2poa n LEU 52 Ca 0.11 -4.84 -0.42 0.00 -0.03 0.00 0.00 56.01 50.82 2poa n LEU 52 Cb 0.48 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 2poa n LEU 52 CO 0.67 1.51 1.44 -0.89 -1.33 0.00 0.00 177.39 178.79 2poa s THR 53 N -0.73 3.60 -0.69 -5.08 2.01 -0.87 -4.00 115.64 109.88 2poa s THR 53 Ca 0.37 0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.99 2poa s THR 53 Cb 0.09 -3.94 0.19 0.00 0.01 0.00 0.00 72.50 68.85 2poa s THR 53 CO 0.03 -0.68 0.57 -0.62 -0.69 0.00 0.00 174.62 173.24 2poa n GLU 54 N 8.50 2.06 -3.83 4.92 -0.58 -1.09 -0.24 120.64 130.37 2poa n GLU 54 Ca 0.20 -4.55 -0.22 0.00 -0.42 0.00 0.00 57.16 52.16 2poa n GLU 54 Cb 0.48 -2.28 -0.05 0.00 -0.57 0.00 0.00 31.44 29.02 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 -1.79 4.82 0.23 1.62 0.01 -0.21 -4.16 113.70 114.21 2poa s SER 55 Ca 0.29 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2poa s SER 55 Cb 0.02 -0.59 0.35 0.00 0.21 0.00 0.00 66.02 66.00 2poa s SER 55 CO -0.12 -0.55 1.80 0.74 0.41 0.00 0.00 173.24 175.51 2poa h THR 56 N 1.24 0.89 0.02 1.44 2.02 -1.94 -2.85 112.91 113.74 2poa h THR 56 Ca -0.42 -0.24 -0.33 0.00 0.77 0.00 0.00 66.41 66.19 2poa h THR 56 Cb 1.26 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2poa h THR 56 CO 0.62 0.13 -1.84 0.49 0.37 0.00 0.00 175.52 175.29 2poa n PHE 57 N -4.80 0.71 -3.20 3.16 3.01 -1.26 -4.70 117.46 110.38 2poa n PHE 57 Ca 0.12 0.26 -0.45 0.00 1.01 0.00 0.00 57.45 58.38 2poa n PHE 57 Cb 0.26 -1.08 -0.01 0.00 -0.01 0.00 0.00 39.48 38.65 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 -2.45 4.02 -0.96 -1.08 1.02 -1.24 -4.66 119.74 114.39 2poa s LYS 58 Ca -0.31 -2.80 -0.12 0.00 0.02 0.00 0.00 55.97 52.76 2poa s LYS 58 Cb 0.09 -4.70 0.23 0.00 -0.52 0.00 0.00 37.83 32.93 2poa s LYS 58 CO 0.60 -1.43 0.95 0.54 -0.92 0.00 0.00 175.35 175.09 2poa s ASN 59 N 2.06 6.99 -0.21 2.83 4.22 -1.07 -1.05 114.94 128.70 2poa s ASN 59 Ca 0.32 -3.01 -0.20 0.00 -2.14 0.00 0.00 52.86 47.83 2poa s ASN 59 Cb -0.08 -2.23 0.06 0.00 1.28 0.00 0.00 41.25 40.28 2poa s ASN 59 CO -0.06 -0.50 0.57 -1.48 -2.04 0.00 0.00 177.10 173.59 2poa s LEU 60 N -0.16 -0.20 -0.03 3.54 0.05 0.66 -4.98 118.68 117.56 2poa s LEU 60 Ca 0.25 1.15 -0.04 0.00 0.05 0.00 0.00 54.13 55.55 2poa s LEU 60 Cb -0.09 1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 45.97 2poa s LEU 60 CO -0.08 -0.20 0.18 -0.94 -0.55 0.00 0.00 176.35 174.76 2poa s SER 61 N 0.35 6.38 -0.06 1.48 1.04 -1.26 -2.06 113.70 119.57 2poa s SER 61 Ca -0.00 0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 2poa s SER 61 Cb -0.04 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2poa s SER 61 CO 0.00 0.29 0.00 0.68 0.98 0.00 0.00 173.24 175.20 2poa s VAL 62 N -1.26 0.30 -0.12 5.02 -7.23 -0.57 -5.00 120.40 111.55 2poa s VAL 62 Ca 0.25 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 2poa s VAL 62 Cb -0.13 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2poa s VAL 62 CO 0.15 0.22 0.10 -0.89 -0.31 0.00 0.00 175.10 174.38 2poa s THR 63 N 1.65 5.15 0.22 5.32 2.01 -1.26 -1.54 115.64 127.19 2poa s THR 63 Ca -0.00 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 2poa s THR 63 Cb -0.13 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.18 2poa s THR 63 CO -0.03 0.59 0.82 0.72 -0.69 0.00 0.00 174.62 176.03 2poa s PHE 64 N -0.79 -0.17 0.07 4.92 -0.12 -0.29 -4.95 117.98 116.66 2poa s PHE 64 Ca 0.13 -0.22 0.03 0.00 -0.05 0.00 0.00 56.93 56.82 2poa s PHE 64 Cb -0.12 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2poa s PHE 64 CO 0.03 -1.06 -0.09 -1.59 -0.05 0.00 0.00 175.22 172.46 2poa s LYS 65 N -3.64 0.72 -1.38 1.99 -2.85 -1.26 -1.83 119.74 111.49 2poa s LYS 65 Ca 0.11 -1.01 -0.12 0.00 -1.00 0.00 0.00 55.97 53.96 2poa s LYS 65 Cb -0.04 -0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 35.25 2poa s LYS 65 CO 0.05 0.07 2.49 1.97 0.10 0.00 0.00 175.35 180.03 2poa n PHE 66 N 0.90 2.58 0.05 1.78 1.16 -1.26 -3.33 117.46 119.34 2poa n PHE 66 Ca -0.19 -2.76 0.00 0.00 -1.87 0.00 0.00 57.45 52.63 2poa n PHE 66 Cb 0.57 -2.32 0.00 0.00 -1.61 0.00 0.00 39.48 36.12 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 3.88 -0.82 3.66 4.97 0.00 -0.84 -4.59 105.19 111.45 2poa n GLY 67 Ca 0.62 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.00 0.73 -0.27 1.61 8.01 -1.21 -4.09 118.70 121.48 2poa s GLU 68 Ca 0.00 0.99 -0.16 0.00 0.01 0.00 0.00 54.97 55.81 2poa s GLU 68 Cb 0.00 -1.74 -0.03 0.00 -4.31 0.00 0.00 34.13 28.05 2poa s GLU 68 CO 0.00 -2.65 0.42 -1.83 0.01 0.00 0.00 175.26 171.21 2poa s GLU 69 N -4.77 4.01 0.47 1.61 -1.05 -1.26 -2.16 118.70 115.55 2poa s GLU 69 Ca 0.65 0.11 0.01 0.00 -0.15 0.00 0.00 54.97 55.59 2poa s GLU 69 Cb -0.21 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.82 2poa s GLU 69 CO 0.59 -0.32 0.69 -0.59 0.95 0.00 0.00 175.26 176.58 2poa s PHE 70 N 2.16 3.16 0.10 4.83 -0.71 -1.13 -4.87 117.98 121.51 2poa s PHE 70 Ca 0.17 0.19 0.09 0.00 -1.04 0.00 0.00 56.93 56.34 2poa s PHE 70 Cb -0.16 -2.39 -0.04 0.00 -1.21 0.00 0.00 43.02 39.23 2poa s PHE 70 CO 0.10 -0.44 -0.23 0.16 -1.34 0.00 0.00 175.22 173.47 2poa s ASP 71 N -4.25 3.55 -0.17 1.98 -4.77 -1.26 -0.96 116.67 110.79 2poa s ASP 71 Ca 0.50 -0.61 -0.02 0.00 -3.30 0.00 0.00 52.55 49.11 2poa s ASP 71 Cb -0.10 -0.40 -0.01 0.00 -1.09 0.00 0.00 42.92 41.32 2poa s ASP 71 CO 0.38 0.20 -0.09 -1.83 0.70 0.00 0.00 175.17 174.54 2poa s GLU 72 N -1.86 3.40 -0.25 2.11 -1.05 -0.37 -4.95 118.70 115.74 2poa s GLU 72 Ca 0.15 -0.65 -0.23 0.00 -0.15 0.00 0.00 54.97 54.10 2poa s GLU 72 Cb -0.10 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2poa s GLU 72 CO 0.07 0.03 0.75 0.21 0.95 0.00 0.00 175.26 177.26 2poa s LYS 73 N 0.86 4.16 0.15 -4.83 2.36 -1.26 -1.67 119.74 119.50 2poa s LYS 73 Ca -0.02 0.79 -0.02 0.00 -2.55 0.00 0.00 55.97 54.16 2poa s LYS 73 Cb -0.15 -3.65 -0.05 0.00 -1.05 0.00 0.00 37.83 32.94 2poa s LYS 73 CO 0.01 -0.47 0.34 0.95 1.55 0.00 0.00 175.35 177.73 2poa s THR 74 N 2.70 5.23 0.57 3.43 -4.23 -0.48 -4.94 115.64 117.91 2poa s THR 74 Ca 0.31 -0.20 0.25 0.00 -1.18 0.00 0.00 61.69 60.87 2poa s THR 74 Cb -0.15 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.35 2poa s THR 74 CO 0.08 -0.01 2.20 0.77 -0.54 0.00 0.00 174.62 177.11 2poa h SER 75 N 2.59 0.00 -0.03 3.99 4.64 -1.90 -1.12 113.55 121.72 2poa h SER 75 Ca -0.46 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2poa h SER 75 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2poa h SER 75 CO 0.72 0.00 0.04 -0.78 -0.87 0.00 0.00 176.83 175.94 2poa h ASP 76 N 0.00 0.00 0.00 4.97 3.58 -1.95 -3.48 116.42 119.54 2poa h ASP 76 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2poa h ASP 76 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2poa h ASP 76 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2poa n GLY 77 N -1.29 0.58 3.57 -0.78 0.00 -0.42 -4.87 105.19 101.99 2poa n GLY 77 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.63 0.56 -0.40 1.61 0.52 -1.25 -4.96 118.95 115.66 2poa s ARG 78 Ca 0.00 1.38 -0.25 0.00 -0.52 0.00 0.00 55.73 56.34 2poa s ARG 78 Cb 0.00 0.80 0.02 0.00 0.52 0.00 0.00 34.95 36.29 2poa s ARG 78 CO 0.00 -0.24 0.90 0.54 0.02 0.00 0.00 175.30 176.52 2poa s ASN 79 N 2.87 6.60 -0.06 0.23 4.22 -1.26 -1.38 114.94 126.15 2poa s ASN 79 Ca -0.03 0.39 0.05 0.00 -2.14 0.00 0.00 52.86 51.13 2poa s ASN 79 Cb -0.12 -2.45 -0.01 0.00 1.28 0.00 0.00 41.25 39.94 2poa s ASN 79 CO -0.19 -0.90 -0.22 0.68 -2.04 0.00 0.00 177.10 174.43 2poa s VAL 80 N 3.50 2.34 0.47 3.54 -7.23 -0.67 -4.87 120.40 117.48 2poa s VAL 80 Ca 0.37 -0.97 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2poa s VAL 80 Cb -0.12 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2poa s VAL 80 CO 0.21 0.57 0.65 -1.59 -0.31 0.00 0.00 175.10 174.63 2poa s LYS 81 N -0.27 2.70 -0.29 4.82 -2.85 -0.88 -1.24 119.74 121.74 2poa s LYS 81 Ca 0.00 -1.11 -0.01 0.00 -1.00 0.00 0.00 55.97 53.85 2poa s LYS 81 Cb -0.13 -2.66 0.18 0.00 -2.06 0.00 0.00 37.83 33.16 2poa s LYS 81 CO 0.03 -0.46 0.56 -1.12 0.10 0.00 0.00 175.35 174.46 2poa s SER 82 N -4.39 -1.09 -0.38 0.03 0.01 -0.13 -0.21 113.70 107.54 2poa s SER 82 Ca 0.56 0.71 -0.28 0.00 1.31 0.00 0.00 55.95 58.25 2poa s SER 82 Cb -0.10 1.96 0.02 0.00 0.21 0.00 0.00 66.02 68.11 2poa s SER 82 CO 0.35 -0.27 1.05 0.54 0.41 0.00 0.00 173.24 175.32 2poa s VAL 83 N 2.80 4.44 -0.21 3.43 0.11 -0.83 -2.84 120.40 127.30 2poa s VAL 83 Ca 0.19 1.44 -0.13 0.00 -2.93 0.00 0.00 61.98 60.55 2poa s VAL 83 Cb -0.15 -4.45 -0.05 0.00 -1.53 0.00 0.00 36.38 30.21 2poa s VAL 83 CO -0.20 -0.65 0.25 -0.69 -3.33 0.00 0.00 175.10 170.47 2poa s VAL 84 N 3.84 5.31 -0.18 2.04 1.01 -0.92 -1.36 120.40 130.13 2poa s VAL 84 Ca 0.44 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 2poa s VAL 84 Cb -0.11 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.77 2poa s VAL 84 CO 0.21 0.34 0.40 -0.70 0.00 0.00 0.00 175.10 175.35 2poa s GLU 85 N 0.96 0.32 0.41 2.72 2.12 -1.26 -1.98 118.70 122.00 2poa s GLU 85 Ca 0.12 0.94 -0.27 0.00 0.36 0.00 0.00 54.97 56.13 2poa s GLU 85 Cb -0.13 0.20 -0.09 0.00 0.26 0.00 0.00 34.13 34.36 2poa s GLU 85 CO 0.05 -0.23 1.43 0.15 -0.54 0.00 0.00 175.26 176.12 2poa s LYS 86 N 2.27 3.92 -0.10 4.30 1.02 -1.26 -0.33 119.74 129.55 2poa s LYS 86 Ca -0.04 2.44 -0.10 0.00 0.02 0.00 0.00 55.97 58.30 2poa s LYS 86 Cb -0.11 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 2poa s LYS 86 CO -0.12 -0.64 0.30 -0.97 -0.92 0.00 0.00 175.35 173.00 2poa h ASN 87 N 2.69 -0.06 0.00 2.83 -1.24 -0.93 -3.47 115.58 115.40 2poa h ASN 87 Ca -0.51 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.25 2poa h ASN 87 Cb 1.25 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2poa h ASN 87 CO 0.63 0.55 0.00 -1.20 -1.29 0.00 0.00 177.43 176.12 2poa n SER 88 N -4.79 1.66 -2.56 1.15 7.64 -1.22 -5.01 113.62 110.49 2poa n SER 88 Ca -0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.49 2poa n SER 88 Cb 0.15 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 2poa n SER 88 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2poa n GLU 89 N 0.00 2.64 0.00 1.43 4.07 -1.26 -4.25 120.64 123.28 2poa n GLU 89 Ca 0.00 -3.22 0.00 0.00 -0.06 0.00 0.00 57.16 53.88 2poa n GLU 89 Cb 0.00 -2.23 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 2poa n GLU 89 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2poa n SER 90 N -0.57 0.00 -3.64 4.31 2.88 -1.26 -4.96 113.62 110.39 2poa n SER 90 Ca 0.56 -0.85 -0.05 0.00 -1.33 0.00 0.00 58.87 57.20 2poa n SER 90 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.00 0.64 -0.03 -1.46 2.20 -1.26 -1.61 119.74 118.23 2poa s LYS 91 Ca 0.00 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.85 2poa s LYS 91 Cb 0.00 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2poa s LYS 91 CO 0.00 -0.15 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.62 2poa s LEU 92 N 1.92 1.56 -0.85 5.43 0.20 -0.84 -0.16 118.68 125.94 2poa s LEU 92 Ca -0.09 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2poa s LEU 92 Cb -0.06 -0.38 0.27 0.00 -0.43 0.00 0.00 46.19 45.58 2poa s LEU 92 CO -0.19 -0.01 1.04 1.07 -0.29 0.00 0.00 176.35 177.96 2poa n THR 93 N 3.65 3.61 -2.41 3.68 5.66 0.55 -0.34 114.28 128.68 2poa n THR 93 Ca -0.21 -5.49 -0.38 0.00 -3.05 0.00 0.00 64.05 54.92 2poa n THR 93 Cb 0.53 -2.13 -0.02 0.00 -1.55 0.00 0.00 70.33 67.16 2poa n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2poa s GLN 94 N -2.45 3.45 -0.40 1.09 -2.07 -1.25 -4.07 119.66 113.96 2poa s GLN 94 Ca 0.35 -1.54 -0.25 0.00 -1.82 0.00 0.00 55.36 52.09 2poa s GLN 94 Cb 0.08 -5.41 0.02 0.00 -1.09 0.00 0.00 33.01 26.61 2poa s GLN 94 CO 0.02 -2.77 0.90 0.99 -1.32 0.00 0.00 175.29 173.10 2poa s THR 95 N 6.48 4.58 0.03 3.63 2.01 -0.47 -4.62 115.64 127.29 2poa s THR 95 Ca 0.58 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 2poa s THR 95 Cb 0.01 -4.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 2poa s THR 95 CO 0.06 -0.61 1.40 -1.10 -0.69 0.00 0.00 174.62 173.68 2poa s GLN 96 N 3.48 4.30 -0.61 4.92 -0.21 -1.26 -1.96 119.66 128.33 2poa s GLN 96 Ca 0.36 2.00 -0.01 0.00 0.02 0.00 0.00 55.36 57.73 2poa s GLN 96 Cb -0.12 -3.48 0.16 0.00 1.00 0.00 0.00 33.01 30.57 2poa s GLN 96 CO 0.21 -0.53 0.40 0.08 -2.12 0.00 0.00 175.29 173.33 2poa s VAL 97 N 2.02 3.49 0.62 1.09 1.01 0.71 -0.94 120.40 128.41 2poa s VAL 97 Ca 0.64 -3.03 0.09 0.00 0.00 0.00 0.00 61.98 59.68 2poa s VAL 97 Cb -0.33 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 32.85 2poa s VAL 97 CO 0.28 -0.86 0.86 -1.81 0.00 0.00 0.00 175.10 173.56 2poa s ASP 98 N 0.49 4.90 0.60 3.32 1.11 -1.26 -2.06 116.67 123.77 2poa s ASP 98 Ca 0.17 -0.86 0.35 0.00 0.18 0.00 0.00 52.55 52.39 2poa s ASP 98 Cb -0.21 0.42 1.90 0.00 1.07 0.00 0.00 42.92 46.10 2poa s ASP 98 CO -0.03 -1.51 2.06 1.55 1.18 0.00 0.00 175.17 178.42 2poa h PRO 99 N 0.00 0.00 0.16 8.23 0.13 -1.97 -2.49 132.00 136.06 2poa h PRO 99 Ca -0.29 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.54 2poa h PRO 99 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2poa h PRO 99 CO 0.40 0.00 -1.49 -0.22 -0.23 0.00 0.00 178.00 176.45 2poa h LYS 100 N 0.00 0.34 -2.31 0.86 3.11 -1.95 -3.51 116.57 113.11 2poa h LYS 100 Ca 0.00 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.26 2poa h LYS 100 Cb 0.27 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2poa h LYS 100 CO 0.00 1.28 0.00 0.09 -2.81 0.00 0.00 179.45 178.01 2poa n ASN 101 N -3.80 -1.78 -4.87 4.20 3.02 -0.94 -5.08 115.26 106.01 2poa n ASN 101 Ca -0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.98 2poa n ASN 101 Cb 0.98 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 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 5.04 0.55 3.41 2.01 -0.11 -4.88 115.64 121.66 2poa s THR 102 Ca 0.00 0.49 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 2poa s THR 102 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2poa s THR 102 CO 0.00 0.22 1.03 -0.89 -0.69 0.00 0.00 174.62 174.29 2poa s THR 103 N -1.48 4.03 -0.67 -0.82 2.01 -1.21 -4.35 115.64 113.14 2poa s THR 103 Ca 0.36 1.03 -0.36 0.00 0.31 0.00 0.00 61.69 63.03 2poa s THR 103 Cb -0.14 -3.50 -0.19 0.00 0.01 0.00 0.00 72.50 68.69 2poa s THR 103 CO 0.19 -0.50 2.24 1.33 -0.69 0.00 0.00 174.62 177.19 2poa n VAL 104 N -1.66 0.00 -2.71 3.82 0.24 -1.26 -4.57 118.33 112.18 2poa n VAL 104 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 2poa n VAL 104 Cb 0.53 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 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 6.51 4.44 -1.82 1.34 -6.64 -1.26 -4.54 119.36 117.38 2poa n ILE 105 Ca 0.56 -4.76 -0.43 0.00 -1.77 0.00 0.00 62.75 56.35 2poa n ILE 105 Cb -0.01 -2.39 -0.03 0.00 -1.44 0.00 0.00 39.64 35.78 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 0.36 3.27 -0.74 7.28 -7.23 -1.21 -3.95 120.40 118.18 2poa s VAL 106 Ca 0.39 0.30 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 2poa s VAL 106 Cb 0.03 -3.30 0.19 0.00 0.56 0.00 0.00 36.38 33.86 2poa s VAL 106 CO 0.01 -0.15 0.66 -0.13 -0.31 0.00 0.00 175.10 175.18 2poa s ARG 107 N 5.41 3.29 0.48 4.82 0.52 0.54 -2.30 118.95 131.71 2poa s ARG 107 Ca 0.87 -2.37 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 2poa s ARG 107 Cb -0.31 -4.26 0.01 0.00 0.52 0.00 0.00 34.95 30.91 2poa s ARG 107 CO 0.35 -1.27 0.69 -2.00 0.02 0.00 0.00 175.30 173.09 2poa s GLU 108 N 0.32 2.82 -0.05 3.54 2.12 -0.52 -1.98 118.70 124.95 2poa s GLU 108 Ca 0.16 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2poa s GLU 108 Cb -0.15 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.68 2poa s GLU 108 CO -0.06 -0.44 -0.11 0.54 -0.54 0.00 0.00 175.26 174.65 2poa s VAL 109 N -2.60 1.00 -0.52 3.70 0.11 -0.63 -1.09 120.40 120.38 2poa s VAL 109 Ca 0.53 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2poa s VAL 109 Cb -0.10 -0.91 0.44 0.00 -1.53 0.00 0.00 36.38 34.28 2poa s VAL 109 CO 0.37 0.31 1.62 0.47 -3.33 0.00 0.00 175.10 174.55 2poa n ASP 110 N 3.54 6.33 -1.32 3.54 9.92 -0.73 -4.91 116.55 132.91 2poa n ASP 110 Ca -0.21 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.28 2poa n ASP 110 Cb 0.53 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 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 -0.75 -0.42 4.35 0.44 0.00 -1.26 -4.54 105.19 103.00 2poa n GLY 111 Ca 0.52 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.57 0.44 -3.19 1.61 9.92 -1.26 -4.95 116.55 118.55 2poa n ASP 112 Ca 0.00 -1.27 -0.14 0.00 -0.53 0.00 0.00 54.79 52.86 2poa n ASP 112 Cb 0.13 -1.63 -0.05 0.00 -0.64 0.00 0.00 41.12 38.92 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 -4.19 -0.43 -0.59 -3.53 -1.32 -1.26 -4.05 115.64 100.28 2poa s THR 113 Ca 0.14 -1.26 -0.27 0.00 -1.21 0.00 0.00 61.69 59.09 2poa s THR 113 Cb -0.08 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2poa s THR 113 CO 1.00 -0.51 1.57 -0.04 -2.21 0.00 0.00 174.62 174.42 2poa s MET 114 N 1.02 3.06 -0.64 7.08 -1.94 0.23 -1.78 119.30 126.33 2poa s MET 114 Ca 0.24 0.46 -0.21 0.00 -1.71 0.00 0.00 55.69 54.47 2poa s MET 114 Cb -0.06 -4.23 0.09 0.00 2.01 0.00 0.00 34.83 32.65 2poa s MET 114 CO -0.07 -2.23 0.84 0.21 -0.01 0.00 0.00 175.02 173.76 2poa s LYS 115 N 6.06 3.10 -0.49 2.03 2.20 -0.25 -1.17 119.74 131.22 2poa s LYS 115 Ca 0.56 -1.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2poa s LYS 115 Cb -0.12 -4.28 0.13 0.00 -1.51 0.00 0.00 37.83 32.05 2poa s LYS 115 CO 0.22 -1.68 0.23 0.95 -0.36 0.00 0.00 175.35 174.72 2poa s THR 116 N 3.30 2.44 -0.18 3.43 -4.23 0.95 -1.44 115.64 119.92 2poa s THR 116 Ca 0.17 -3.13 -0.29 0.00 -1.18 0.00 0.00 61.69 57.26 2poa s THR 116 Cb -0.20 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2poa s THR 116 CO 0.07 -0.78 1.80 -0.89 -0.54 0.00 0.00 174.62 174.27 2poa s THR 117 N -0.09 3.44 -0.74 3.99 2.01 -0.97 -2.34 115.64 120.94 2poa s THR 117 Ca 0.16 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 2poa s THR 117 Cb -0.25 -3.45 0.14 0.00 0.01 0.00 0.00 72.50 68.94 2poa s THR 117 CO -0.01 -0.19 0.85 0.54 -0.69 0.00 0.00 174.62 175.12 2poa s VAL 118 N 5.68 4.96 0.05 3.82 0.11 -0.33 -3.30 120.40 131.38 2poa s VAL 118 Ca 0.80 -1.47 -0.06 0.00 -2.93 0.00 0.00 61.98 58.32 2poa s VAL 118 Cb -0.30 -4.58 -0.05 0.00 -1.53 0.00 0.00 36.38 29.93 2poa s VAL 118 CO 0.33 -1.23 0.30 0.28 -3.33 0.00 0.00 175.10 171.44 2poa s THR 119 N 2.16 5.26 -0.41 5.04 -1.32 -1.26 -0.95 115.64 124.16 2poa s THR 119 Ca 0.19 0.11 0.07 0.00 -1.21 0.00 0.00 61.69 60.85 2poa s THR 119 Cb -0.15 -3.59 0.23 0.00 -1.51 0.00 0.00 72.50 67.47 2poa s THR 119 CO -0.02 0.27 0.54 0.52 -2.21 0.00 0.00 174.62 173.72 2poa n VAL 120 N 0.81 -0.70 0.00 5.08 0.31 -1.26 -3.34 118.33 119.23 2poa n VAL 120 Ca -0.09 -3.39 0.00 0.00 -0.01 0.00 0.00 64.34 60.86 2poa n VAL 120 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 1.86 0.79 0.63 2.92 0.00 -1.26 -4.44 105.19 105.68 2poa n GLY 121 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.73 0.04 0.07 1.61 5.68 -1.26 -5.01 116.55 119.42 2poa n ASP 122 Ca 0.00 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 2poa n ASP 122 Cb 0.00 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 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 0.05 0.69 -2.79 2.12 0.31 -1.26 -5.12 118.33 112.32 2poa n VAL 123 Ca -0.01 0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.48 2poa n VAL 123 Cb 0.68 -1.13 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 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 -3.35-10.58 -3.37 2.52 -1.04 -1.23 -4.98 114.28 92.24 2poa n THR 124 Ca 0.00 0.77 -0.45 0.00 -2.04 0.00 0.00 64.05 62.34 2poa n THR 124 Cb 0.00 -7.11 -0.06 0.00 -1.82 0.00 0.00 70.33 61.34 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 -2.56 3.63 -1.14 2.41 0.00 -0.12 -4.65 121.76 119.33 2poa s ALA 125 Ca 0.22 -2.62 -0.21 0.00 0.00 0.00 0.00 51.96 49.35 2poa s ALA 125 Cb -0.06 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.92 2poa s ALA 125 CO 0.73 -2.02 1.62 -1.50 0.00 0.00 0.00 175.76 174.58 2poa s ILE 126 N 1.39 3.97 -0.40 0.00 1.10 -1.26 -1.19 121.20 124.80 2poa s ILE 126 Ca 0.05 -1.25 -0.26 0.00 -0.51 0.00 0.00 60.65 58.69 2poa s ILE 126 Cb -0.27 -5.05 0.02 0.00 0.15 0.00 0.00 42.46 37.30 2poa s ILE 126 CO 0.01 -1.90 0.92 -0.13 -2.11 0.00 0.00 174.94 171.74 2poa s ARG 127 N 4.81 3.72 -0.08 3.50 0.52 -0.99 -4.25 118.95 126.18 2poa s ARG 127 Ca 0.51 0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 55.96 2poa s ARG 127 Cb 0.01 -3.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.59 2poa s ARG 127 CO -0.01 -1.05 0.48 1.21 0.02 0.00 0.00 175.30 175.94 2poa s ASN 128 N 2.03 6.74 0.02 0.23 3.84 -1.22 -0.03 114.94 126.55 2poa s ASN 128 Ca 0.38 0.88 0.06 0.00 0.21 0.00 0.00 52.86 54.38 2poa s ASN 128 Cb -0.11 -2.29 -0.02 0.00 -0.55 0.00 0.00 41.25 38.28 2poa s ASN 128 CO 0.22 0.07 -0.17 -0.31 -2.79 0.00 0.00 177.10 174.12 2poa s TYR 129 N 0.23 1.46 -0.21 0.43 1.51 -0.32 0.08 117.35 120.53 2poa s TYR 129 Ca 0.26 -0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 2poa s TYR 129 Cb -0.16 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2poa s TYR 129 CO 0.12 0.03 0.60 0.15 -1.11 0.00 0.00 175.55 175.33 2poa s LYS 130 N -0.86 4.18 -0.07 -0.62 -0.14 0.23 -0.60 119.74 121.86 2poa s LYS 130 Ca 0.05 0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 2poa s LYS 130 Cb -0.07 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.46 2poa s LYS 130 CO 0.01 -0.25 1.14 0.50 -0.76 0.00 0.00 175.35 175.99 2poa s ARG 131 N 1.96 4.37 -0.05 1.68 3.52 -1.26 -2.10 118.95 127.08 2poa s ARG 131 Ca 0.27 1.59 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 2poa s ARG 131 Cb -0.16 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2poa s ARG 131 CO 0.10 -0.41 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.48 2poa s LEU 132 N 2.14 1.94 0.00 -0.88 1.43 -0.01 -5.02 118.68 118.29 2poa s LEU 132 Ca 0.54 -0.40 0.26 0.00 -1.03 0.00 0.00 54.13 53.49 2poa s LEU 132 Cb -0.23 -1.09 0.62 0.00 0.03 0.00 0.00 46.19 45.52 2poa s LEU 132 CO 0.21 0.16 1.50 -1.54 0.23 0.00 0.00 176.35 176.91