#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 1.13 0.21 7.83 7.64 -1.26 -4.65 113.62 124.52 2poa n SER 2 Ca 0.00 -0.05 0.17 0.00 1.01 0.00 0.00 58.87 60.00 2poa n SER 2 Cb 0.00 0.44 0.83 0.00 -1.01 0.00 0.00 64.21 64.47 2poa n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2poa h SER 3 N 0.00 0.00 -0.65 6.43 0.02 -2.03 -2.87 113.55 114.45 2poa h SER 3 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2poa h SER 3 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 2poa h SER 3 CO -0.02 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.16 2poa n PHE 4 N -3.80 1.55 -2.06 3.45 3.01 -1.26 -5.00 117.46 113.35 2poa n PHE 4 Ca 0.01 -0.62 -0.42 0.00 1.01 0.00 0.00 57.45 57.43 2poa n PHE 4 Cb 0.31 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2poa s LEU 5 N -1.93 4.22 0.00 4.37 1.43 -1.08 -4.68 118.68 121.00 2poa s LEU 5 Ca 0.52 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2poa s LEU 5 Cb 0.34 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2poa s LEU 5 CO 0.24 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.45 2poa n GLY 6 N 4.20 1.79 3.73 -3.19 0.00 0.35 -4.87 105.19 107.20 2poa n GLY 6 Ca 0.17 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.40 4.21 -0.27 1.61 0.00 -0.52 -0.78 119.74 122.59 2poa s LYS 7 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 55.97 55.92 2poa s LYS 7 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 37.83 34.44 2poa s LYS 7 CO 0.00 0.27 -0.02 1.67 0.00 0.00 0.00 175.35 177.28 2poa s TRP 8 N 0.39 3.14 0.02 1.78 -2.14 -1.10 -0.59 118.94 120.43 2poa s TRP 8 Ca 0.13 -1.55 0.08 0.00 2.66 0.00 0.00 56.10 57.43 2poa s TRP 8 Cb -0.12 -2.11 -0.02 0.00 -3.10 0.00 0.00 33.47 28.11 2poa s TRP 8 CO 0.02 -0.73 -0.24 -1.59 -2.66 0.00 0.00 176.95 171.75 2poa s LYS 9 N 1.33 1.77 0.05 3.25 -2.85 -1.11 -3.25 119.74 118.93 2poa s LYS 9 Ca -0.01 -0.97 -0.32 0.00 -1.00 0.00 0.00 55.97 53.67 2poa s LYS 9 Cb -0.18 -1.83 -0.11 0.00 -2.06 0.00 0.00 37.83 33.65 2poa s LYS 9 CO -0.02 0.49 1.86 -0.11 0.10 0.00 0.00 175.35 177.67 2poa n LEU 10 N 2.09 3.84 0.07 2.77 7.94 -1.26 -0.86 117.00 131.59 2poa n LEU 10 Ca -0.16 0.97 -0.23 0.00 -1.11 0.00 0.00 56.01 55.48 2poa n LEU 10 Cb 0.52 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.84 2poa n LEU 10 CO 0.23 0.08 -0.47 -1.28 -1.11 0.00 0.00 177.39 174.84 2poa h SER 11 N 9.04 0.60 -5.21 1.96 0.87 -0.79 -3.45 113.55 116.57 2poa h SER 11 Ca -0.48 -0.92 -0.09 0.00 -1.23 0.00 0.00 61.79 59.07 2poa h SER 11 Cb 1.24 -0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.88 2poa h SER 11 CO 0.94 1.74 -0.31 -1.83 -0.53 0.00 0.00 176.83 176.84 2poa s GLU 12 N -2.56 1.05 -0.38 2.24 4.04 -1.18 -5.04 118.70 116.88 2poa s GLU 12 Ca -0.16 -1.06 0.01 0.00 0.04 0.00 0.00 54.97 53.80 2poa s GLU 12 Cb 0.05 0.38 0.11 0.00 0.02 0.00 0.00 34.13 34.68 2poa s GLU 12 CO 0.85 -0.37 0.13 0.45 -1.84 0.00 0.00 175.26 174.47 2poa s SER 13 N -2.92 5.00 -0.08 0.83 0.15 -1.26 -4.21 113.70 111.21 2poa s SER 13 Ca 0.12 -2.12 -0.24 0.00 0.70 0.00 0.00 55.95 54.41 2poa s SER 13 Cb 0.04 -1.73 -0.19 0.00 -1.71 0.00 0.00 66.02 62.42 2poa s SER 13 CO -0.05 -0.45 0.87 -0.74 1.20 0.00 0.00 173.24 174.07 2poa h HIS 14 N 7.79 -0.06 -0.66 3.44 2.76 -1.94 -3.40 115.15 123.07 2poa h HIS 14 Ca -0.08 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.79 2poa h HIS 14 Cb 1.03 0.02 -0.40 0.00 1.55 0.00 0.00 27.41 29.61 2poa h HIS 14 CO 0.51 0.56 -1.13 -1.71 -1.30 0.00 0.00 177.93 174.85 2poa n ASN 15 N -4.78 1.68 -3.38 3.26 4.05 -1.26 -4.98 115.26 109.85 2poa n ASN 15 Ca -0.08 -2.35 -0.38 0.00 0.45 0.00 0.00 54.58 52.22 2poa n ASN 15 Cb 0.32 -0.49 -0.02 0.00 1.23 0.00 0.00 39.78 40.81 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 2poa n PHE 16 N -0.41 2.48 0.21 1.20 7.35 -1.26 -3.35 117.46 123.68 2poa n PHE 16 Ca 0.09 -2.90 0.00 0.00 -0.76 0.00 0.00 57.45 53.88 2poa n PHE 16 Cb 0.81 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 38.25 2poa n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2poa n ASP 17 N 4.24 -3.76 0.10 -2.13 5.68 -1.26 -4.33 116.55 115.09 2poa n ASP 17 Ca 0.69 0.83 0.07 0.00 -0.50 0.00 0.00 54.79 55.88 2poa n ASP 17 Cb 0.25 3.54 -0.01 0.00 -1.14 0.00 0.00 41.12 43.77 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 0.00 0.63 -0.73 2.12 0.00 -1.99 -3.37 119.26 115.91 2poa h ALA 18 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.68 2poa h ALA 18 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2poa h ALA 18 CO 0.00 0.37 0.38 -0.24 0.00 0.00 0.00 179.25 179.75 2poa h VAL 19 N 0.00 0.86 0.07 0.00 3.04 -1.91 0.44 116.25 118.75 2poa h VAL 19 Ca -0.05 -0.22 -0.27 0.00 -1.01 0.00 0.00 66.70 65.15 2poa h VAL 19 Cb 1.23 0.17 0.02 0.00 -2.01 0.00 0.00 31.29 30.70 2poa h VAL 19 CO 0.02 0.12 -1.13 0.24 -1.01 0.00 0.00 177.57 175.81 2poa h MET 20 N 0.64 0.54 -0.38 4.17 2.86 -1.88 -3.18 114.93 117.70 2poa h MET 20 Ca 0.36 -0.67 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2poa h MET 20 Cb 0.37 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2poa h MET 20 CO -0.27 1.28 0.02 1.03 1.06 0.00 0.00 176.91 180.03 2poa h SER 21 N 0.26 0.55 -0.44 1.22 0.87 -1.64 -0.22 113.55 114.16 2poa h SER 21 Ca -0.14 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2poa h SER 21 Cb 1.79 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.57 2poa h SER 21 CO 0.21 0.61 0.22 0.50 -0.53 0.00 0.00 176.83 177.84 2poa h LYS 22 N 0.56 0.43 -0.57 2.24 3.64 -1.05 -3.06 116.57 118.76 2poa h LYS 22 Ca 0.12 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2poa h LYS 22 Cb 0.33 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2poa h LYS 22 CO 0.01 0.28 0.24 1.25 -2.27 0.00 0.00 179.45 178.97 2poa h LEU 23 N 0.44 0.30 0.00 5.20 5.85 -1.48 -3.48 115.31 122.13 2poa h LEU 23 Ca 0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2poa h LEU 23 Cb 0.09 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2poa h LEU 23 CO -0.13 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 2poa n GLY 24 N -1.28 0.40 3.18 3.75 0.00 -0.11 -4.59 105.19 106.54 2poa n GLY 24 Ca 0.07 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 1.57 0.34 1.61 1.01 -1.17 -5.00 120.40 118.77 2poa s VAL 25 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2poa s VAL 25 Cb 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 36.38 34.95 2poa s VAL 25 CO 0.00 0.45 1.38 -0.44 0.00 0.00 0.00 175.10 176.48 2poa s SER 26 N -0.19 6.62 -0.29 3.32 0.01 -1.26 -4.69 113.70 117.23 2poa s SER 26 Ca 0.01 2.81 -0.06 0.00 1.31 0.00 0.00 55.95 60.01 2poa s SER 26 Cb -0.10 -2.65 -0.21 0.00 0.21 0.00 0.00 66.02 63.27 2poa s SER 26 CO 0.01 -0.66 3.44 0.79 0.41 0.00 0.00 173.24 177.23 2poa n TRP 27 N 0.84 0.53 0.00 2.43 7.02 -1.26 -2.22 117.44 124.77 2poa n TRP 27 Ca 0.01 -1.78 0.00 0.00 -1.02 0.00 0.00 57.50 54.71 2poa n TRP 27 Cb 0.41 -1.71 0.00 0.00 -2.42 0.00 0.00 31.31 27.59 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 2.48 2.92 -0.11 6.99 0.00 -1.26 -4.78 120.51 126.74 2poa n ALA 28 Ca 0.49 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.04 2poa n ALA 28 Cb 0.78 0.39 0.47 0.00 0.00 0.00 0.00 19.45 21.09 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 0.92 0.00 0.00 1.35 -1.91 -2.81 112.91 110.46 2poa h THR 29 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2poa h THR 29 Cb 0.79 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2poa h THR 29 CO 0.00 0.09 0.00 0.54 -0.25 0.00 0.00 175.52 175.90 2poa n ARG 30 N -4.48 0.70 -0.07 4.72 5.12 -0.94 -1.10 116.66 120.60 2poa n ARG 30 Ca 0.10 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 2poa n ARG 30 Cb 0.35 -1.21 -0.06 0.00 -1.16 0.00 0.00 32.46 30.38 2poa n ARG 30 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2poa h GLN 31 N 0.00 0.00 -0.22 5.56 7.50 -1.80 -3.43 115.11 122.72 2poa h GLN 31 Ca 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.02 2poa h GLN 31 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2poa h GLN 31 CO 0.00 0.45 -0.40 0.82 -1.50 0.00 0.00 178.83 178.20 2poa h ILE 32 N -1.00 1.30 -0.86 2.54 5.03 -1.54 -2.91 117.51 120.07 2poa h ILE 32 Ca -0.08 -1.55 0.19 0.00 -0.12 0.00 0.00 64.86 63.30 2poa h ILE 32 Cb 0.67 1.57 -0.16 0.00 -3.03 0.00 0.00 36.82 35.86 2poa h ILE 32 CO -0.05 0.49 -0.10 1.23 -0.68 0.00 0.00 178.15 179.04 2poa h GLY 33 N 1.08 0.82 -4.31 5.37 0.00 -1.37 -1.48 103.07 103.19 2poa h GLY 33 Ca 0.04 0.21 -0.66 0.00 0.00 0.00 0.00 47.33 46.92 2poa h GLY 33 CO 0.07 -0.36 0.23 1.16 0.00 0.00 0.00 176.54 177.65 2poa n ASN 34 N -5.48 6.45 0.00 0.19 6.94 -1.21 -4.49 115.26 117.66 2poa n ASN 34 Ca 0.15 -3.78 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 2poa n ASN 34 Cb 0.52 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.69 0.00 -3.45 5.53 -1.04 -0.74 -5.01 114.28 108.88 2poa n THR 35 Ca 0.52 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.10 2poa n THR 35 Cb 0.62 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.62 4.74 0.62 12.58 1.01 -0.64 -5.02 120.40 133.08 2poa s VAL 36 Ca 0.00 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.33 2poa s VAL 36 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2poa s VAL 36 CO 0.00 -0.72 0.82 0.35 0.00 0.00 0.00 175.10 175.55 2poa n THR 37 N 5.08 3.17 -1.58 3.92 -2.24 -1.26 -4.32 114.28 117.06 2poa n THR 37 Ca -0.11 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 2poa n THR 37 Cb 0.41 -0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.68 1.70 -1.27 -0.78 0.04 -1.26 -4.18 135.00 126.57 2poa s PRO 38 Ca 0.74 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2poa s PRO 38 Cb -0.41 -4.75 0.16 0.00 0.04 0.00 0.00 34.50 29.54 2poa s PRO 38 CO 0.50 -4.24 1.77 2.41 0.04 0.00 0.00 177.00 177.48 2poa n THR 39 N 8.64 4.28 -2.55 1.26 -1.04 -1.24 -4.18 114.28 119.45 2poa n THR 39 Ca 0.45 -4.42 -0.41 0.00 -2.04 0.00 0.00 64.05 57.62 2poa n THR 39 Cb 0.45 -2.40 -0.03 0.00 -1.82 0.00 0.00 70.33 66.54 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 0.89 3.78 -0.77 12.58 -7.23 -1.20 -2.45 120.40 125.99 2poa s VAL 40 Ca 0.41 0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 60.99 2poa s VAL 40 Cb 0.06 -4.86 0.20 0.00 0.56 0.00 0.00 36.38 32.35 2poa s VAL 40 CO 0.00 -1.73 0.67 -0.89 -0.31 0.00 0.00 175.10 172.84 2poa s THR 41 N 5.63 4.98 -0.39 5.32 2.01 -1.26 -2.72 115.64 129.21 2poa s THR 41 Ca 0.37 -2.69 -0.21 0.00 0.31 0.00 0.00 61.69 59.47 2poa s THR 41 Cb -0.08 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2poa s THR 41 CO 0.17 -0.99 0.67 0.12 -0.69 0.00 0.00 174.62 173.91 2poa s PHE 42 N 0.01 3.11 -0.04 4.92 5.36 0.04 -0.56 117.98 130.82 2poa s PHE 42 Ca 0.18 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.39 2poa s PHE 42 Cb -0.13 -3.28 0.03 0.00 -0.34 0.00 0.00 43.02 39.29 2poa s PHE 42 CO -0.07 -0.74 0.10 0.95 -1.46 0.00 0.00 175.22 174.00 2poa s THR 43 N 2.85 -0.04 -0.65 0.12 -4.23 -0.30 -0.50 115.64 112.90 2poa s THR 43 Ca 0.25 0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.64 2poa s THR 43 Cb -0.14 -0.16 0.01 0.00 1.34 0.00 0.00 72.50 73.55 2poa s THR 43 CO 0.17 0.06 1.46 0.00 -0.54 0.00 0.00 174.62 175.76 2poa s MET 44 N 0.85 3.11 -1.19 3.99 0.23 -1.26 -0.01 119.30 125.02 2poa s MET 44 Ca -0.07 0.20 -0.13 0.00 -1.03 0.00 0.00 55.69 54.66 2poa s MET 44 Cb -0.09 -4.20 0.18 0.00 -1.53 0.00 0.00 34.83 29.19 2poa s MET 44 CO -0.04 -2.20 1.39 0.34 -2.03 0.00 0.00 175.02 172.48 2poa s ASP 45 N 4.94 7.09 0.00 -1.18 2.15 -0.37 -4.86 116.67 124.45 2poa s ASP 45 Ca 0.48 -3.05 0.00 0.00 0.43 0.00 0.00 52.55 50.42 2poa s ASP 45 Cb -0.10 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2poa s ASP 45 CO 0.20 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 2poa n GLY 46 N 3.97 1.83 0.10 2.66 0.00 -1.26 -3.45 105.19 109.04 2poa n GLY 46 Ca 0.35 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 3.71 1.86 -4.12 1.61 2.03 -1.26 -5.10 116.55 115.28 2poa n ASP 47 Ca 0.00 0.48 -0.08 0.00 0.52 0.00 0.00 54.79 55.70 2poa n ASP 47 Cb 0.00 -0.90 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 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 -2.38 0.72 0.05 -0.67 -2.85 -1.22 -5.09 119.74 108.30 2poa s LYS 48 Ca -0.26 -1.29 -0.19 0.00 -1.00 0.00 0.00 55.97 53.23 2poa s LYS 48 Cb 0.06 0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 2poa s LYS 48 CO 0.45 -0.13 0.56 -1.64 0.10 0.00 0.00 175.35 174.70 2poa s MET 49 N -3.93 4.21 -0.18 1.78 -1.94 -0.27 -1.24 119.30 117.74 2poa s MET 49 Ca 0.11 0.71 0.01 0.00 -1.71 0.00 0.00 55.69 54.82 2poa s MET 49 Cb 0.07 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.67 2poa s MET 49 CO -0.07 0.58 -0.18 0.99 -0.01 0.00 0.00 175.02 176.33 2poa s THR 50 N -0.89 1.95 -0.51 2.05 2.01 0.99 -1.60 115.64 119.63 2poa s THR 50 Ca 0.29 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2poa s THR 50 Cb -0.19 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.56 2poa s THR 50 CO 0.18 0.50 1.18 -0.04 -0.69 0.00 0.00 174.62 175.76 2poa s MET 51 N 1.33 3.63 -1.29 4.92 -1.94 -0.37 -1.14 119.30 124.43 2poa s MET 51 Ca 0.05 0.47 -0.08 0.00 -1.71 0.00 0.00 55.69 54.42 2poa s MET 51 Cb -0.13 -3.96 0.16 0.00 2.01 0.00 0.00 34.83 32.91 2poa s MET 51 CO -0.12 -1.52 2.03 1.28 -0.01 0.00 0.00 175.02 176.68 2poa n LEU 52 N 8.18 7.11 -4.69 -0.03 4.77 0.27 -1.49 117.00 131.11 2poa n LEU 52 Ca 0.11 -4.75 -0.42 0.00 -0.03 0.00 0.00 56.01 50.92 2poa n LEU 52 Cb 0.49 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2poa n LEU 52 CO 0.72 1.62 1.14 -0.89 -1.33 0.00 0.00 177.39 178.64 2poa s THR 53 N -0.25 3.51 -0.48 -5.08 2.01 -0.70 -4.13 115.64 110.51 2poa s THR 53 Ca 0.44 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.43 2poa s THR 53 Cb 0.12 -3.62 0.15 0.00 0.01 0.00 0.00 72.50 69.16 2poa s THR 53 CO -0.02 0.02 0.30 -0.70 -0.69 0.00 0.00 174.62 173.52 2poa s GLU 54 N 2.13 1.45 0.27 4.92 -6.30 -1.03 -0.02 118.70 120.12 2poa s GLU 54 Ca 0.66 -2.27 0.09 0.00 -2.50 0.00 0.00 54.97 50.95 2poa s GLU 54 Cb -0.34 -2.42 -0.05 0.00 0.00 0.00 0.00 34.13 31.32 2poa s GLU 54 CO 0.28 -1.21 -0.13 -1.12 0.02 0.00 0.00 175.26 173.09 2poa s SER 55 N -0.02 3.10 0.28 -1.70 0.01 -0.73 -3.63 113.70 111.02 2poa s SER 55 Ca 0.21 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 56.36 2poa s SER 55 Cb -0.17 -0.23 0.41 0.00 0.21 0.00 0.00 66.02 66.25 2poa s SER 55 CO -0.06 -0.15 1.94 0.74 0.41 0.00 0.00 173.24 176.12 2poa h THR 56 N 2.33 1.19 0.04 1.44 2.02 -1.87 -2.37 112.91 115.68 2poa h THR 56 Ca -0.40 -0.40 -0.33 0.00 0.77 0.00 0.00 66.41 66.06 2poa h THR 56 Cb 1.24 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2poa h THR 56 CO 0.64 0.21 -1.88 0.49 0.37 0.00 0.00 175.52 175.35 2poa n PHE 57 N -4.42 0.97 -3.63 3.16 3.01 -1.26 -4.66 117.46 110.63 2poa n PHE 57 Ca 0.11 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.57 2poa n PHE 57 Cb 0.07 -1.16 -0.09 0.00 -0.01 0.00 0.00 39.48 38.29 2poa n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2poa n LYS 58 N -3.17 2.34 -3.26 -1.08 5.02 -1.21 -4.32 118.16 112.47 2poa n LYS 58 Ca -0.24 -4.58 -0.46 0.00 -2.02 0.00 0.00 58.31 51.01 2poa n LYS 58 Cb 1.06 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 2poa n LYS 58 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2poa s ASN 59 N -1.80 6.87 -0.18 4.39 3.84 -0.90 -1.77 114.94 125.39 2poa s ASN 59 Ca 0.32 -2.80 -0.25 0.00 0.21 0.00 0.00 52.86 50.34 2poa s ASN 59 Cb 0.04 -2.24 0.06 0.00 -0.55 0.00 0.00 41.25 38.56 2poa s ASN 59 CO -0.09 -0.59 0.65 -1.48 -2.79 0.00 0.00 177.10 172.81 2poa s LEU 60 N 0.27 -0.50 -0.01 3.21 0.05 0.97 -4.96 118.68 117.71 2poa s LEU 60 Ca 0.23 1.09 -0.02 0.00 0.05 0.00 0.00 54.13 55.48 2poa s LEU 60 Cb -0.09 2.30 -0.04 0.00 -2.05 0.00 0.00 46.19 46.31 2poa s LEU 60 CO -0.09 -0.35 0.16 -0.94 -0.55 0.00 0.00 176.35 174.58 2poa s SER 61 N -0.19 6.25 -0.05 1.48 1.04 -1.26 -1.72 113.70 119.24 2poa s SER 61 Ca -0.04 0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 2poa s SER 61 Cb -0.03 -1.94 0.04 0.00 0.10 0.00 0.00 66.02 64.19 2poa s SER 61 CO 0.04 0.27 0.10 0.68 0.98 0.00 0.00 173.24 175.31 2poa s VAL 62 N -1.29 -0.11 -0.06 5.02 -7.23 -0.56 -4.98 120.40 111.19 2poa s VAL 62 Ca 0.26 0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 2poa s VAL 62 Cb -0.12 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 2poa s VAL 62 CO 0.17 0.11 0.09 -0.89 -0.31 0.00 0.00 175.10 174.27 2poa s THR 63 N 1.57 4.90 0.14 5.32 2.01 -1.26 -1.24 115.64 127.07 2poa s THR 63 Ca -0.04 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2poa s THR 63 Cb -0.12 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.29 2poa s THR 63 CO -0.05 0.49 0.87 0.72 -0.69 0.00 0.00 174.62 175.97 2poa s PHE 64 N -1.07 -0.23 0.48 4.92 -0.71 -0.63 -4.97 117.98 115.78 2poa s PHE 64 Ca 0.18 -0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.04 2poa s PHE 64 Cb -0.12 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 2poa s PHE 64 CO 0.08 -0.83 0.03 -1.59 -1.34 0.00 0.00 175.22 171.57 2poa s LYS 65 N -3.39 2.12 -0.97 1.99 -2.85 -1.26 -1.11 119.74 114.26 2poa s LYS 65 Ca 0.09 -2.33 -0.23 0.00 -1.00 0.00 0.00 55.97 52.50 2poa s LYS 65 Cb -0.02 -1.36 -0.14 0.00 -2.06 0.00 0.00 37.83 34.25 2poa s LYS 65 CO -0.01 -0.36 1.92 1.97 0.10 0.00 0.00 175.35 178.97 2poa n PHE 66 N -1.17 2.20 0.05 1.78 1.16 -1.26 -3.82 117.46 116.41 2poa n PHE 66 Ca -0.16 -1.47 0.00 0.00 -1.87 0.00 0.00 57.45 53.95 2poa n PHE 66 Cb 0.67 -2.20 0.00 0.00 -1.61 0.00 0.00 39.48 36.33 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 5.32 -1.60 3.81 4.97 0.00 -0.63 -4.82 105.19 112.24 2poa n GLY 67 Ca 0.46 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.88 3.44 -0.68 1.61 8.01 -1.25 -3.99 118.70 123.96 2poa s GLU 68 Ca 0.00 1.17 -0.27 0.00 0.01 0.00 0.00 54.97 55.88 2poa s GLU 68 Cb 0.00 -2.05 0.02 0.00 -4.31 0.00 0.00 34.13 27.78 2poa s GLU 68 CO 0.00 -0.71 1.43 -1.21 0.01 0.00 0.00 175.26 174.78 2poa s GLU 69 N -4.05 3.08 -0.39 1.61 2.02 -1.26 -3.81 118.70 115.91 2poa s GLU 69 Ca 0.63 0.06 -0.22 0.00 0.02 0.00 0.00 54.97 55.46 2poa s GLU 69 Cb -0.15 -4.22 0.01 0.00 0.10 0.00 0.00 34.13 29.88 2poa s GLU 69 CO 0.35 -2.24 0.73 -0.59 0.02 0.00 0.00 175.26 173.54 2poa s PHE 70 N 6.53 3.09 -0.02 1.61 -0.12 -1.01 -4.54 117.98 123.54 2poa s PHE 70 Ca 0.45 0.37 -0.30 0.00 -0.05 0.00 0.00 56.93 57.40 2poa s PHE 70 Cb -0.09 -3.39 -0.04 0.00 -0.63 0.00 0.00 43.02 38.87 2poa s PHE 70 CO 0.18 -0.77 1.26 -0.51 -0.05 0.00 0.00 175.22 175.33 2poa s ASP 71 N 1.90 6.99 -0.15 1.98 1.11 -1.26 -2.94 116.67 124.31 2poa s ASP 71 Ca 0.29 1.94 -0.01 0.00 0.18 0.00 0.00 52.55 54.94 2poa s ASP 71 Cb -0.13 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 2poa s ASP 71 CO 0.18 -0.61 -0.11 -1.83 1.18 0.00 0.00 175.17 173.98 2poa s GLU 72 N 2.08 3.40 -0.25 8.23 -1.05 0.15 -4.91 118.70 126.36 2poa s GLU 72 Ca 0.59 -0.67 -0.11 0.00 -0.15 0.00 0.00 54.97 54.63 2poa s GLU 72 Cb -0.27 -2.71 -0.05 0.00 -0.44 0.00 0.00 34.13 30.66 2poa s GLU 72 CO 0.24 0.14 0.18 0.21 0.95 0.00 0.00 175.26 176.99 2poa s LYS 73 N 0.55 4.04 0.26 -4.83 2.20 -1.26 -1.16 119.74 119.54 2poa s LYS 73 Ca -0.07 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.22 2poa s LYS 73 Cb -0.15 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 2poa s LYS 73 CO 0.03 -0.02 0.53 0.95 -0.36 0.00 0.00 175.35 176.48 2poa s THR 74 N 1.29 5.03 0.40 3.43 -4.23 -0.57 -4.93 115.64 116.06 2poa s THR 74 Ca 0.08 0.10 0.39 0.00 -1.18 0.00 0.00 61.69 61.08 2poa s THR 74 Cb -0.14 -3.70 0.42 0.00 1.34 0.00 0.00 72.50 70.41 2poa s THR 74 CO 0.07 -0.24 2.19 -1.28 -0.54 0.00 0.00 174.62 174.81 2poa h SER 75 N 1.93 0.00 -0.37 3.99 0.87 -1.92 -1.91 113.55 116.14 2poa h SER 75 Ca -0.47 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2poa h SER 75 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2poa h SER 75 CO 0.67 0.00 0.20 -0.78 -0.53 0.00 0.00 176.83 176.40 2poa h ASP 76 N 0.00 0.32 0.00 6.23 3.58 -1.94 -3.49 116.42 121.13 2poa h ASP 76 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2poa h ASP 76 Cb 0.25 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2poa h ASP 76 CO 0.00 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 2poa n GLY 77 N -1.20 0.47 2.98 -0.78 0.00 -0.72 -4.93 105.19 101.01 2poa n GLY 77 Ca 0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.04 0.13 -0.53 1.61 1.81 -1.26 -4.94 118.95 115.73 2poa s ARG 78 Ca 0.00 0.73 -0.28 0.00 -1.72 0.00 0.00 55.73 54.45 2poa s ARG 78 Cb 0.00 -0.06 0.03 0.00 -0.45 0.00 0.00 34.95 34.46 2poa s ARG 78 CO 0.00 -0.29 1.21 0.54 -0.68 0.00 0.00 175.30 176.08 2poa s ASN 79 N 2.40 6.47 -0.11 0.23 4.22 -1.26 -1.52 114.94 125.37 2poa s ASN 79 Ca 0.01 0.29 0.02 0.00 -2.14 0.00 0.00 52.86 51.05 2poa s ASN 79 Cb -0.12 -2.55 -0.01 0.00 1.28 0.00 0.00 41.25 39.85 2poa s ASN 79 CO -0.08 -1.43 -0.19 0.68 -2.04 0.00 0.00 177.10 174.04 2poa s VAL 80 N 4.93 2.53 0.53 3.54 -7.23 -0.31 -4.81 120.40 119.58 2poa s VAL 80 Ca 0.47 -0.85 0.09 0.00 -1.81 0.00 0.00 61.98 59.87 2poa s VAL 80 Cb -0.08 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2poa s VAL 80 CO 0.28 0.55 0.67 -1.59 -0.31 0.00 0.00 175.10 174.69 2poa s LYS 81 N 0.30 2.41 -0.29 4.82 -2.85 -0.55 -0.67 119.74 122.92 2poa s LYS 81 Ca -0.14 -1.61 0.01 0.00 -1.00 0.00 0.00 55.97 53.23 2poa s LYS 81 Cb -0.17 -2.58 0.18 0.00 -2.06 0.00 0.00 37.83 33.21 2poa s LYS 81 CO 0.07 -0.67 0.53 -1.12 0.10 0.00 0.00 175.35 174.26 2poa s SER 82 N -4.52 -0.91 -0.24 0.03 0.01 -1.15 -0.19 113.70 106.73 2poa s SER 82 Ca 0.56 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 2poa s SER 82 Cb -0.06 1.78 0.01 0.00 0.21 0.00 0.00 66.02 67.96 2poa s SER 82 CO 0.35 -0.30 1.08 0.54 0.41 0.00 0.00 173.24 175.33 2poa s VAL 83 N 2.75 4.57 -0.19 3.43 0.11 -0.43 -2.39 120.40 128.25 2poa s VAL 83 Ca 0.14 1.88 -0.04 0.00 -2.93 0.00 0.00 61.98 61.03 2poa s VAL 83 Cb -0.13 -4.29 -0.02 0.00 -1.53 0.00 0.00 36.38 30.41 2poa s VAL 83 CO -0.23 -0.25 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.58 2poa s VAL 84 N 3.38 3.83 -0.17 2.04 1.01 -1.25 -1.00 120.40 128.24 2poa s VAL 84 Ca 0.46 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 2poa s VAL 84 Cb -0.15 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.56 2poa s VAL 84 CO 0.10 0.44 0.53 -0.70 0.00 0.00 0.00 175.10 175.47 2poa s GLU 85 N 0.93 0.67 0.13 2.72 2.56 -1.20 -1.61 118.70 122.90 2poa s GLU 85 Ca 0.01 0.61 -0.30 0.00 0.00 0.00 0.00 54.97 55.29 2poa s GLU 85 Cb -0.14 0.32 -0.07 0.00 2.00 0.00 0.00 34.13 36.24 2poa s GLU 85 CO 0.02 -0.11 1.16 0.21 -0.56 0.00 0.00 175.26 175.98 2poa s LYS 86 N 0.00 4.50 -0.14 4.30 2.20 -1.26 -1.68 119.74 127.67 2poa s LYS 86 Ca -0.02 1.77 -0.11 0.00 -0.36 0.00 0.00 55.97 57.25 2poa s LYS 86 Cb -0.04 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2poa s LYS 86 CO 0.02 -0.10 -0.20 -1.71 -0.36 0.00 0.00 175.35 173.00 2poa n ASN 87 N 3.05 1.68 -4.65 1.43 2.85 0.63 -4.96 115.26 115.28 2poa n ASN 87 Ca 0.06 0.52 -0.27 0.00 -0.11 0.00 0.00 54.58 54.78 2poa n ASN 87 Cb 0.46 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.57 2poa n ASN 87 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2poa s SER 88 N -5.60 4.05 0.00 1.20 0.15 -0.35 -4.98 113.70 108.17 2poa s SER 88 Ca -0.17 -1.26 0.05 0.00 0.70 0.00 0.00 55.95 55.27 2poa s SER 88 Cb 0.02 -0.43 0.31 0.00 -1.71 0.00 0.00 66.02 64.21 2poa s SER 88 CO 0.25 -0.45 0.69 1.21 1.20 0.00 0.00 173.24 176.14 2poa n GLU 89 N -1.04 0.33 -0.86 5.44 4.07 -1.26 -1.52 120.64 125.81 2poa n GLU 89 Ca -0.04 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.11 2poa n GLU 89 Cb 0.66 -1.24 0.11 0.00 -0.06 0.00 0.00 31.44 30.91 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2poa n SER 90 N -0.74 1.35 -3.20 4.31 3.41 -1.26 -4.83 113.62 112.66 2poa n SER 90 Ca 0.04 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2poa n SER 90 Cb 0.02 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.68 0.51 0.49 4.33 2.47 -0.57 -3.97 119.74 121.32 2poa s LYS 91 Ca 0.32 0.63 0.05 0.00 -1.56 0.00 0.00 55.97 55.41 2poa s LYS 91 Cb 0.33 0.16 -0.00 0.00 -1.46 0.00 0.00 37.83 36.86 2poa s LYS 91 CO -0.09 -0.85 0.27 -1.17 0.16 0.00 0.00 175.35 173.67 2poa s LEU 92 N 2.75 2.81 -0.35 5.43 0.20 -0.06 -0.27 118.68 129.20 2poa s LEU 92 Ca 0.14 -1.23 0.02 0.00 0.69 0.00 0.00 54.13 53.75 2poa s LEU 92 Cb -0.13 -1.25 0.15 0.00 -0.43 0.00 0.00 46.19 44.53 2poa s LEU 92 CO -0.24 -0.87 0.33 -0.89 -0.29 0.00 0.00 176.35 174.39 2poa s THR 93 N -2.72 -0.26 -1.19 3.68 2.01 -0.67 -0.12 115.64 116.36 2poa s THR 93 Ca 0.32 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2poa s THR 93 Cb 0.00 -0.81 0.23 0.00 0.01 0.00 0.00 72.50 71.92 2poa s THR 93 CO 0.19 -0.63 1.67 1.67 -0.69 0.00 0.00 174.62 176.83 2poa n GLN 94 N 4.44 3.93 -2.21 4.92 7.27 -1.11 -3.24 117.38 131.38 2poa n GLN 94 Ca 0.08 -3.98 -0.43 0.00 0.07 0.00 0.00 57.00 52.75 2poa n GLN 94 Cb 0.44 -2.76 -0.02 0.00 2.41 0.00 0.00 30.24 30.31 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 -0.83 3.88 -0.23 1.69 2.01 -0.17 -4.65 115.64 117.34 2poa s THR 95 Ca 0.36 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.10 2poa s THR 95 Cb 0.06 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2poa s THR 95 CO 0.04 -0.24 1.01 -1.10 -0.69 0.00 0.00 174.62 173.64 2poa s GLN 96 N 4.20 4.25 -0.60 4.92 -0.21 -1.26 -1.31 119.66 129.65 2poa s GLN 96 Ca 0.66 1.30 -0.09 0.00 0.02 0.00 0.00 55.36 57.25 2poa s GLN 96 Cb -0.25 -3.64 0.15 0.00 1.00 0.00 0.00 33.01 30.28 2poa s GLN 96 CO 0.25 -0.60 0.47 0.08 -2.12 0.00 0.00 175.29 173.37 2poa s VAL 97 N 3.11 4.42 0.45 1.09 1.01 0.73 -1.79 120.40 129.43 2poa s VAL 97 Ca 0.43 -2.25 0.08 0.00 0.00 0.00 0.00 61.98 60.23 2poa s VAL 97 Cb -0.15 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2poa s VAL 97 CO 0.07 -0.86 0.54 -1.81 0.00 0.00 0.00 175.10 173.03 2poa s ASP 98 N 2.05 5.32 0.00 3.32 1.11 -1.26 -1.48 116.67 125.73 2poa s ASP 98 Ca 0.11 -0.64 0.01 0.00 0.18 0.00 0.00 52.55 52.22 2poa s ASP 98 Cb -0.21 -0.41 0.04 0.00 1.07 0.00 0.00 42.92 43.42 2poa s ASP 98 CO -0.03 -0.85 1.00 -0.81 1.18 0.00 0.00 175.17 175.66 2poa n PRO 99 N -1.82 0.00 0.00 8.23 -0.04 -1.26 -1.05 135.00 139.06 2poa n PRO 99 Ca 0.07 0.45 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 2poa n PRO 99 Cb 0.61 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.47 2.07 -2.11 0.54 4.76 -1.26 -5.12 118.16 115.57 2poa n LYS 100 Ca 0.00 -0.58 -0.00 0.00 -2.87 0.00 0.00 58.31 54.86 2poa n LYS 100 Cb 0.01 -1.16 -0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 -0.38 -8.00 -4.71 4.39 5.15 -0.22 -5.00 115.26 106.51 2poa n ASN 101 Ca 0.05 1.52 -0.41 0.00 -0.60 0.00 0.00 54.58 55.13 2poa n ASN 101 Cb 0.26 -4.46 -0.03 0.00 -0.53 0.00 0.00 39.78 35.02 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 -0.49 4.90 0.23 -0.44 2.01 -0.74 -4.86 115.64 116.25 2poa s THR 102 Ca -0.01 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.56 2poa s THR 102 Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 2poa s THR 102 CO 0.02 0.15 0.99 -0.89 -0.69 0.00 0.00 174.62 174.20 2poa s THR 103 N 1.18 3.99 0.00 -0.82 2.01 -0.51 -4.18 115.64 117.30 2poa s THR 103 Ca 0.47 1.93 0.00 0.00 0.31 0.00 0.00 61.69 64.40 2poa s THR 103 Cb -0.19 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2poa s THR 103 CO 0.23 0.43 0.00 1.33 -0.69 0.00 0.00 174.62 175.92 2poa n VAL 104 N 1.64 0.00 -3.01 3.82 0.24 -1.26 -3.81 118.33 115.96 2poa n VAL 104 Ca -0.01 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.85 2poa n VAL 104 Cb 0.47 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.83 2poa n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2poa s ILE 105 N 0.00 5.08 0.61 1.34 -5.25 -1.26 -4.61 121.20 117.12 2poa s ILE 105 Ca 0.00 -2.36 -0.18 0.00 -0.99 0.00 0.00 60.65 57.11 2poa s ILE 105 Cb 0.00 -4.80 -0.04 0.00 2.95 0.00 0.00 42.46 40.57 2poa s ILE 105 CO 0.00 -1.49 1.08 1.33 -1.79 0.00 0.00 174.94 174.07 2poa n VAL 106 N 4.65 4.09 -3.74 8.37 0.24 -1.25 -2.77 118.33 127.93 2poa n VAL 106 Ca 0.29 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 2poa n VAL 106 Cb 0.45 -1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 31.40 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 -2.95 0.94 0.25 7.34 1.81 0.83 -2.31 118.95 124.86 2poa s ARG 107 Ca 0.78 -1.43 0.03 0.00 -1.72 0.00 0.00 55.73 53.39 2poa s ARG 107 Cb -0.41 -2.16 0.03 0.00 -0.45 0.00 0.00 34.95 31.97 2poa s ARG 107 CO 0.45 -1.05 0.24 -1.91 -0.68 0.00 0.00 175.30 172.35 2poa n GLU 108 N 4.37 1.03 -3.73 3.54 2.13 -0.06 -0.88 120.64 127.05 2poa n GLU 108 Ca 0.02 -1.47 -0.12 0.00 0.66 0.00 0.00 57.16 56.25 2poa n GLU 108 Cb 0.39 0.08 -0.12 0.00 0.27 0.00 0.00 31.44 32.06 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2poa s VAL 109 N -1.00 -0.02 -1.07 6.31 0.11 -1.25 -1.01 120.40 122.46 2poa s VAL 109 Ca 0.18 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2poa s VAL 109 Cb -0.01 -0.45 0.31 0.00 -1.53 0.00 0.00 36.38 34.69 2poa s VAL 109 CO 0.11 0.04 1.53 0.47 -3.33 0.00 0.00 175.10 173.92 2poa n ASP 110 N 3.83 6.56 0.00 3.54 9.92 -0.53 -4.91 116.55 134.97 2poa n ASP 110 Ca -0.21 -3.45 0.00 0.00 -0.53 0.00 0.00 54.79 50.60 2poa n ASP 110 Cb 0.55 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 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 1.14 1.83 1.44 0.44 0.00 -1.26 -3.55 105.19 105.23 2poa n GLY 111 Ca 0.29 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 5.36 4.57 -3.86 1.61 5.75 -1.26 -4.87 116.55 123.84 2poa n ASP 112 Ca 0.00 -2.50 -0.30 0.00 -0.01 0.00 0.00 54.79 51.98 2poa n ASP 112 Cb 0.00 -0.55 -0.14 0.00 -1.03 0.00 0.00 41.12 39.40 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 -1.94 2.12 -0.51 2.12 -1.32 -1.23 -1.08 115.64 113.80 2poa s THR 113 Ca 0.48 -2.98 -0.27 0.00 -1.21 0.00 0.00 61.69 57.71 2poa s THR 113 Cb 0.32 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 2poa s THR 113 CO 0.21 -0.83 1.94 -0.32 -2.21 0.00 0.00 174.62 173.42 2poa s MET 114 N 0.01 2.73 -0.78 7.08 1.75 -0.03 -1.45 119.30 128.62 2poa s MET 114 Ca 0.17 0.98 -0.19 0.00 -1.25 0.00 0.00 55.69 55.41 2poa s MET 114 Cb -0.25 -4.37 0.13 0.00 2.84 0.00 0.00 34.83 33.18 2poa s MET 114 CO -0.00 -2.58 0.92 0.21 -0.65 0.00 0.00 175.02 172.91 2poa s LYS 115 N 6.87 3.37 -0.39 4.11 2.20 -0.18 -2.27 119.74 133.44 2poa s LYS 115 Ca 0.76 -1.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.69 2poa s LYS 115 Cb -0.16 -4.55 0.08 0.00 -1.51 0.00 0.00 37.83 31.69 2poa s LYS 115 CO 0.25 -1.63 0.19 -0.08 -0.36 0.00 0.00 175.35 173.72 2poa s THR 116 N 2.45 3.74 -0.57 3.43 -1.32 0.31 -0.88 115.64 122.81 2poa s THR 116 Ca 0.22 -1.56 -0.28 0.00 -1.21 0.00 0.00 61.69 58.86 2poa s THR 116 Cb -0.13 -3.33 0.02 0.00 -1.51 0.00 0.00 72.50 67.55 2poa s THR 116 CO -0.02 -0.47 1.39 -0.89 -2.21 0.00 0.00 174.62 172.42 2poa s THR 117 N 1.32 3.80 -0.55 5.08 2.01 -0.98 -1.97 115.64 124.35 2poa s THR 117 Ca 0.03 0.68 -0.22 0.00 0.31 0.00 0.00 61.69 62.49 2poa s THR 117 Cb -0.22 -4.48 0.06 0.00 0.01 0.00 0.00 72.50 67.87 2poa s THR 117 CO -0.00 -1.21 0.81 0.54 -0.69 0.00 0.00 174.62 174.07 2poa s VAL 118 N 5.96 4.59 0.17 3.82 0.11 -0.12 -3.75 120.40 131.19 2poa s VAL 118 Ca 0.51 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 2poa s VAL 118 Cb -0.10 -4.47 -0.04 0.00 -1.53 0.00 0.00 36.38 30.24 2poa s VAL 118 CO 0.25 -1.05 0.24 0.28 -3.33 0.00 0.00 175.10 171.49 2poa s THR 119 N 3.38 5.04 -0.43 5.04 -1.32 -1.25 -0.12 115.64 125.98 2poa s THR 119 Ca 0.22 -0.86 0.05 0.00 -1.21 0.00 0.00 61.69 59.89 2poa s THR 119 Cb -0.17 -3.61 0.19 0.00 -1.51 0.00 0.00 72.50 67.40 2poa s THR 119 CO 0.14 -0.13 0.45 0.52 -2.21 0.00 0.00 174.62 173.39 2poa n VAL 120 N -0.60 -0.92 0.00 5.08 0.31 -1.26 -1.42 118.33 119.52 2poa n VAL 120 Ca -0.08 -3.08 0.00 0.00 -0.01 0.00 0.00 64.34 61.18 2poa n VAL 120 Cb 0.55 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 2.59 0.59 2.55 2.92 0.00 -1.26 -4.37 105.19 108.21 2poa n GLY 121 Ca 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2poa n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poa n ASP 122 N 1.55 -1.66 0.07 1.61 5.75 -1.26 -5.00 116.55 117.61 2poa n ASP 122 Ca 0.00 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.59 2poa n ASP 122 Cb 0.00 0.98 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 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 1.23 0.00 -2.79 2.12 0.31 -1.26 -5.12 118.33 112.82 2poa n VAL 123 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 2poa n VAL 123 Cb 0.62 -0.22 0.01 0.00 -0.91 0.00 0.00 33.84 33.34 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 -2.95-10.61 -3.44 2.52 -1.04 -1.20 -4.98 114.28 92.58 2poa n THR 124 Ca 0.00 0.78 -0.43 0.00 -2.04 0.00 0.00 64.05 62.36 2poa n THR 124 Cb 0.00 -7.13 -0.10 0.00 -1.82 0.00 0.00 70.33 61.29 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 3.49 -1.25 2.41 0.00 0.82 -4.76 121.76 119.91 2poa s ALA 125 Ca 0.22 -1.76 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 2poa s ALA 125 Cb -0.06 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2poa s ALA 125 CO 0.73 -1.51 1.85 1.51 0.00 0.00 0.00 175.76 178.34 2poa n ILE 126 N 5.19 3.19 -2.35 0.00 0.13 -1.26 -0.94 119.36 123.32 2poa n ILE 126 Ca -0.11 -3.25 -0.43 0.00 -1.10 0.00 0.00 62.75 57.86 2poa n ILE 126 Cb 0.47 -2.31 -0.02 0.00 -0.84 0.00 0.00 39.64 36.93 2poa n ILE 126 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 2poa s ARG 127 N 4.87 3.89 -0.16 9.51 0.52 -0.83 -4.62 118.95 132.13 2poa s ARG 127 Ca 0.58 1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 57.09 2poa s ARG 127 Cb 0.04 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 2poa s ARG 127 CO 0.09 -1.16 0.03 -0.80 0.02 0.00 0.00 175.30 173.48 2poa s ASN 128 N 3.13 5.38 -0.03 0.23 0.01 -1.26 -0.53 114.94 121.88 2poa s ASN 128 Ca 0.60 0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.80 2poa s ASN 128 Cb -0.19 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.62 2poa s ASN 128 CO 0.24 0.20 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.69 2poa s TYR 129 N 0.18 0.57 -0.23 2.20 1.51 -0.96 -0.05 117.35 120.57 2poa s TYR 129 Ca 0.02 -0.12 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 2poa s TYR 129 Cb -0.13 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.23 2poa s TYR 129 CO 0.01 -0.11 0.99 0.21 -1.11 0.00 0.00 175.55 175.53 2poa s LYS 130 N 0.58 4.25 -0.23 -0.62 2.47 -0.04 -0.85 119.74 125.31 2poa s LYS 130 Ca -0.07 1.26 -0.29 0.00 -1.56 0.00 0.00 55.97 55.31 2poa s LYS 130 Cb -0.10 -3.64 -0.00 0.00 -1.46 0.00 0.00 37.83 32.63 2poa s LYS 130 CO -0.00 -0.59 1.22 1.03 0.16 0.00 0.00 175.35 177.17 2poa s ARG 131 N 3.05 4.14 -0.04 4.03 0.52 -0.24 -2.75 118.95 127.65 2poa s ARG 131 Ca 0.42 1.45 0.03 0.00 -0.52 0.00 0.00 55.73 57.11 2poa s ARG 131 Cb -0.15 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.55 2poa s ARG 131 CO 0.07 -0.82 -0.14 -0.51 0.02 0.00 0.00 175.30 173.91 2poa s LEU 132 N 3.70 1.84 0.00 2.53 1.43 0.24 -5.01 118.68 123.41 2poa s LEU 132 Ca 0.52 -0.31 0.26 0.00 -1.03 0.00 0.00 54.13 53.58 2poa s LEU 132 Cb -0.18 -0.85 0.60 0.00 0.03 0.00 0.00 46.19 45.78 2poa s LEU 132 CO 0.15 0.11 1.49 -1.54 0.23 0.00 0.00 176.35 176.80