#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 1.86 -0.13 3.17 2.88 -1.26 -4.27 113.62 115.86 2poa n SER 2 Ca 0.00 0.43 0.27 0.00 -1.33 0.00 0.00 58.87 58.24 2poa n SER 2 Cb 0.00 -0.96 0.72 0.00 -0.75 0.00 0.00 64.21 63.22 2poa n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2poa h SER 3 N -1.00 0.00 0.50 -3.46 0.02 -2.02 -1.94 113.55 105.65 2poa h SER 3 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2poa h SER 3 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2poa h SER 3 CO -0.21 0.00 -0.06 0.49 -1.14 0.00 0.00 176.83 175.91 2poa n PHE 4 N -4.18 0.00 -2.04 3.45 3.72 -1.26 -4.99 117.46 112.15 2poa n PHE 4 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 2poa n PHE 4 Cb 0.90 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2poa s LEU 5 N -2.56 4.33 0.00 4.37 1.43 -0.73 -4.66 118.68 120.85 2poa s LEU 5 Ca 0.28 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2poa s LEU 5 Cb 0.20 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2poa s LEU 5 CO 0.48 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2poa n GLY 6 N 3.99 1.37 3.68 -3.19 0.00 0.36 -4.53 105.19 106.88 2poa n GLY 6 Ca 0.16 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.47 4.38 -0.23 1.61 0.00 -0.27 -0.48 119.74 123.28 2poa s LYS 7 Ca 0.00 1.26 -0.09 0.00 0.00 0.00 0.00 55.97 57.14 2poa s LYS 7 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 37.83 34.24 2poa s LYS 7 CO 0.00 -0.31 0.11 -1.58 0.00 0.00 0.00 175.35 173.57 2poa s TRP 8 N 2.04 3.23 -0.24 1.78 0.52 -1.21 -0.64 118.94 124.42 2poa s TRP 8 Ca 0.45 0.02 -0.05 0.00 0.02 0.00 0.00 56.10 56.54 2poa s TRP 8 Cb -0.18 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 2poa s TRP 8 CO 0.16 -0.02 0.01 0.15 0.02 0.00 0.00 176.95 177.26 2poa s LYS 9 N 1.03 3.46 -0.02 4.98 -0.14 -0.66 -2.85 119.74 125.54 2poa s LYS 9 Ca 0.06 -0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 53.78 2poa s LYS 9 Cb -0.14 -3.15 -0.08 0.00 -1.68 0.00 0.00 37.83 32.78 2poa s LYS 9 CO 0.04 -0.21 2.02 -0.11 -0.76 0.00 0.00 175.35 176.33 2poa n LEU 10 N 4.85 3.95 0.12 3.17 0.00 -1.26 -0.92 117.00 126.91 2poa n LEU 10 Ca -0.17 0.77 -0.20 0.00 0.00 0.00 0.00 56.01 56.40 2poa n LEU 10 Cb 0.51 -1.52 -0.14 0.00 0.00 0.00 0.00 43.42 42.27 2poa n LEU 10 CO 0.30 0.02 -0.11 -1.28 0.00 0.00 0.00 177.39 176.31 2poa h SER 11 N 11.40 0.67 -3.53 1.96 0.87 -0.65 -3.45 113.55 120.81 2poa h SER 11 Ca -0.48 -0.69 -0.22 0.00 -1.23 0.00 0.00 61.79 59.17 2poa h SER 11 Cb 1.24 -0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 62.69 2poa h SER 11 CO 0.95 1.53 -0.57 -1.83 -0.53 0.00 0.00 176.83 176.37 2poa s GLU 12 N -2.72 0.13 -0.93 2.24 -1.05 -1.25 -5.04 118.70 110.08 2poa s GLU 12 Ca -0.07 0.33 -0.15 0.00 -0.15 0.00 0.00 54.97 54.93 2poa s GLU 12 Cb 0.06 -0.09 0.19 0.00 -0.44 0.00 0.00 34.13 33.85 2poa s GLU 12 CO 0.92 -0.12 1.00 0.45 0.95 0.00 0.00 175.26 178.45 2poa s SER 13 N 0.83 6.82 -0.05 0.83 0.15 -1.26 -3.94 113.70 117.08 2poa s SER 13 Ca -0.06 -2.61 -0.01 0.00 0.70 0.00 0.00 55.95 53.96 2poa s SER 13 Cb -0.08 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2poa s SER 13 CO -0.04 -0.72 0.08 -0.74 1.20 0.00 0.00 173.24 173.01 2poa h HIS 14 N 7.94 -0.04 -0.15 3.44 6.17 -1.94 -3.39 115.15 127.18 2poa h HIS 14 Ca 0.15 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 2poa h HIS 14 Cb 1.00 0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.91 2poa h HIS 14 CO 1.05 -0.02 -0.17 0.09 0.71 0.00 0.00 177.93 179.59 2poa n ASN 15 N -3.47 2.45 -3.60 3.26 4.13 -1.26 -4.98 115.26 111.79 2poa n ASN 15 Ca -0.01 -3.52 -0.41 0.00 1.68 0.00 0.00 54.58 52.32 2poa n ASN 15 Cb 0.02 -0.54 -0.01 0.00 -1.54 0.00 0.00 39.78 37.71 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 -1.10 2.85 0.20 3.10 7.35 -1.26 -3.92 117.46 124.68 2poa n PHE 16 Ca 0.23 -2.92 0.00 0.00 -0.76 0.00 0.00 57.45 54.00 2poa n PHE 16 Cb 0.81 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 38.45 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 3.74 -3.55 0.18 -2.13 5.75 -1.26 -3.79 116.55 115.49 2poa n ASP 17 Ca 0.58 0.78 0.03 0.00 -0.01 0.00 0.00 54.79 56.17 2poa n ASP 17 Cb 0.31 3.36 0.34 0.00 -1.03 0.00 0.00 41.12 44.10 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2poa h ALA 18 N 0.00 1.16 -0.87 2.12 0.00 -1.98 -2.92 119.26 116.76 2poa h ALA 18 Ca 0.00 -0.37 0.22 0.00 0.00 0.00 0.00 54.91 54.76 2poa h ALA 18 Cb 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 2poa h ALA 18 CO 0.00 0.51 0.31 -0.24 0.00 0.00 0.00 179.25 179.84 2poa h VAL 19 N 0.00 0.41 0.05 0.00 3.04 -1.93 0.94 116.25 118.76 2poa h VAL 19 Ca -0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 2poa h VAL 19 Cb 0.81 0.08 0.01 0.00 -2.01 0.00 0.00 31.29 30.17 2poa h VAL 19 CO 0.05 0.06 -0.41 0.24 -1.01 0.00 0.00 177.57 176.50 2poa h MET 20 N 0.31 0.19 -0.41 4.17 2.86 -1.90 -3.31 114.93 116.84 2poa h MET 20 Ca 0.55 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2poa h MET 20 Cb 1.06 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2poa h MET 20 CO -0.58 1.08 0.27 1.03 1.06 0.00 0.00 176.91 179.76 2poa h SER 21 N -0.57 0.47 0.25 1.22 0.87 -1.32 -1.39 113.55 113.08 2poa h SER 21 Ca -0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2poa h SER 21 Cb 1.26 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2poa h SER 21 CO 0.08 0.34 -0.12 0.07 -0.53 0.00 0.00 176.83 176.67 2poa h LYS 22 N 0.55 0.00 -0.04 2.24 2.10 -0.98 -3.06 116.57 117.38 2poa h LYS 22 Ca 0.15 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.78 2poa h LYS 22 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2poa h LYS 22 CO -0.03 0.12 -0.07 1.25 -2.00 0.00 0.00 179.45 178.72 2poa h LEU 23 N 0.00 0.12 0.00 7.07 5.85 -1.37 -3.49 115.31 123.49 2poa h LEU 23 Ca -0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2poa h LEU 23 Cb 0.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2poa h LEU 23 CO 0.02 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 2poa n GLY 24 N 0.41 -0.14 3.75 3.75 0.00 -0.73 -4.92 105.19 107.31 2poa n GLY 24 Ca -0.08 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 4.25 -0.04 1.61 1.01 -1.25 -4.98 120.40 121.00 2poa s VAL 25 Ca 0.00 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 2poa s VAL 25 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2poa s VAL 25 CO 0.00 0.47 2.27 -1.20 0.00 0.00 0.00 175.10 176.65 2poa n SER 26 N 1.79 5.47 -3.33 3.32 7.64 -1.26 -4.85 113.62 122.40 2poa n SER 26 Ca -0.02 -2.50 -0.18 0.00 1.01 0.00 0.00 58.87 57.18 2poa n SER 26 Cb 0.48 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.53 -1.66 -0.04 1.43 7.02 -1.26 -4.82 117.44 119.65 2poa n TRP 27 Ca 0.11 0.28 -0.08 0.00 -1.02 0.00 0.00 57.50 56.79 2poa n TRP 27 Cb 0.57 -1.39 -0.03 0.00 -2.42 0.00 0.00 31.31 28.05 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 -3.13 2.50 0.26 6.99 0.00 -1.26 -4.72 120.51 121.15 2poa n ALA 28 Ca 0.05 -0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.34 2poa n ALA 28 Cb 0.48 0.40 0.70 0.00 0.00 0.00 0.00 19.45 21.04 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 -0.25 0.38 0.00 0.00 1.35 -1.93 -3.14 112.91 109.32 2poa h THR 29 Ca -0.18 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2poa h THR 29 Cb 1.16 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2poa h THR 29 CO -0.11 0.11 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 2poa n ARG 30 N -3.40 0.02 -0.12 4.72 5.12 -1.26 -2.13 116.66 119.61 2poa n ARG 30 Ca -0.01 0.38 -0.25 0.00 -1.93 0.00 0.00 57.85 56.04 2poa n ARG 30 Cb 0.28 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.99 2poa n ARG 30 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2poa n GLN 31 N -1.43 0.57 0.12 5.56 3.00 -1.19 -4.67 117.38 119.34 2poa n GLN 31 Ca 0.01 0.36 -0.03 0.00 -0.01 0.00 0.00 57.00 57.34 2poa n GLN 31 Cb 0.04 -1.57 0.13 0.00 0.00 0.00 0.00 30.24 28.84 2poa n GLN 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2poa h ILE 32 N -1.00 1.46 -0.56 5.09 5.03 -1.65 -2.89 117.51 122.98 2poa h ILE 32 Ca -0.52 -2.22 0.11 0.00 -0.12 0.00 0.00 64.86 62.12 2poa h ILE 32 Cb 1.43 2.19 -0.11 0.00 -3.03 0.00 0.00 36.82 37.30 2poa h ILE 32 CO -0.31 0.64 -0.13 1.23 -0.68 0.00 0.00 178.15 178.90 2poa h GLY 33 N 1.86 0.42 -3.59 5.37 0.00 -1.67 -1.03 103.07 104.44 2poa h GLY 33 Ca -0.01 0.18 -0.43 0.00 0.00 0.00 0.00 47.33 47.07 2poa h GLY 33 CO 0.09 -0.21 0.55 1.16 0.00 0.00 0.00 176.54 178.13 2poa n ASN 34 N -5.38 4.78 0.04 0.19 6.94 -1.15 -4.70 115.26 115.98 2poa n ASN 34 Ca 0.06 -3.29 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 2poa n ASN 34 Cb 0.30 -0.84 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 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 -0.60 0.00 -3.70 5.53 -1.04 -1.08 -5.06 114.28 108.34 2poa n THR 35 Ca 0.46 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 62.09 2poa n THR 35 Cb 1.13 -0.07 -0.12 0.00 -1.82 0.00 0.00 70.33 69.45 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 -1.23 4.17 -0.32 12.58 1.01 -0.41 -5.05 120.40 131.15 2poa s VAL 36 Ca 0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 61.98 60.80 2poa s VAL 36 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 2poa s VAL 36 CO 0.00 -0.09 2.14 0.35 0.00 0.00 0.00 175.10 177.50 2poa n THR 37 N 4.90 0.23 -1.82 3.92 -2.24 -1.26 -4.72 114.28 113.29 2poa n THR 37 Ca -0.13 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2poa n THR 37 Cb 0.47 -1.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 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 5.89 4.16 -1.40 -0.78 0.04 -1.26 -4.58 135.00 137.07 2poa s PRO 38 Ca 1.07 2.44 -0.08 0.00 0.04 0.00 0.00 61.00 64.47 2poa s PRO 38 Cb -0.84 -3.96 0.07 0.00 0.04 0.00 0.00 34.50 29.81 2poa s PRO 38 CO 0.50 -0.88 2.39 2.41 0.04 0.00 0.00 177.00 181.46 2poa n THR 39 N 5.31 4.64 -2.50 1.26 -1.04 -1.24 -4.05 114.28 116.65 2poa n THR 39 Ca 0.18 -3.80 -0.40 0.00 -2.04 0.00 0.00 64.05 58.00 2poa n THR 39 Cb 0.41 -2.32 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 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 0.42 3.84 -0.56 12.58 -7.23 -1.13 -2.57 120.40 125.75 2poa s VAL 40 Ca 0.54 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.96 2poa s VAL 40 Cb 0.16 -4.93 0.12 0.00 0.56 0.00 0.00 36.38 32.29 2poa s VAL 40 CO -0.06 -1.82 0.57 -0.89 -0.31 0.00 0.00 175.10 172.59 2poa s THR 41 N 5.62 5.07 -0.31 5.32 2.01 -1.25 -3.36 115.64 128.74 2poa s THR 41 Ca 0.47 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 2poa s THR 41 Cb -0.02 -4.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 2poa s THR 41 CO -0.06 -0.95 0.68 0.12 -0.69 0.00 0.00 174.62 173.72 2poa s PHE 42 N 2.01 3.21 -0.06 4.92 5.36 0.37 -0.52 117.98 133.26 2poa s PHE 42 Ca 0.06 0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 56.60 2poa s PHE 42 Cb -0.28 -3.07 0.02 0.00 -0.34 0.00 0.00 43.02 39.35 2poa s PHE 42 CO 0.04 -0.51 0.21 0.95 -1.46 0.00 0.00 175.22 174.45 2poa s THR 43 N 2.73 0.02 -0.39 0.12 -4.23 -0.19 -0.48 115.64 113.21 2poa s THR 43 Ca 0.28 -0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 2poa s THR 43 Cb -0.15 -0.36 0.02 0.00 1.34 0.00 0.00 72.50 73.36 2poa s THR 43 CO 0.12 -0.09 0.97 -0.32 -0.54 0.00 0.00 174.62 174.75 2poa s MET 44 N -0.28 3.80 -1.11 3.99 1.75 -1.26 0.06 119.30 126.25 2poa s MET 44 Ca -0.04 0.56 -0.14 0.00 -1.25 0.00 0.00 55.69 54.82 2poa s MET 44 Cb -0.03 -3.83 0.19 0.00 2.84 0.00 0.00 34.83 34.00 2poa s MET 44 CO 0.01 -1.04 1.26 0.34 -0.65 0.00 0.00 175.02 174.94 2poa s ASP 45 N 1.99 7.02 0.00 1.11 2.15 0.52 -4.83 116.67 124.63 2poa s ASP 45 Ca 0.40 -2.91 0.00 0.00 0.43 0.00 0.00 52.55 50.46 2poa s ASP 45 Cb -0.11 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2poa s ASP 45 CO 0.21 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2poa n GLY 46 N 4.08 1.91 0.57 2.66 0.00 -1.26 -3.43 105.19 109.71 2poa n GLY 46 Ca 0.30 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 3.84 1.37 -4.96 1.61 2.03 -1.26 -5.12 116.55 114.07 2poa n ASP 47 Ca 0.00 0.22 -0.20 0.00 0.52 0.00 0.00 54.79 55.33 2poa n ASP 47 Cb 0.00 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 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 -2.40 3.15 0.39 -0.67 -2.85 -1.22 -5.00 119.74 111.14 2poa s LYS 48 Ca -0.16 -0.98 -0.22 0.00 -1.00 0.00 0.00 55.97 53.61 2poa s LYS 48 Cb 0.04 -2.78 -0.10 0.00 -2.06 0.00 0.00 37.83 32.92 2poa s LYS 48 CO 0.22 0.19 0.92 0.00 0.10 0.00 0.00 175.35 176.79 2poa s MET 49 N -4.07 4.30 -0.07 1.78 0.23 -0.55 -0.36 119.30 120.56 2poa s MET 49 Ca 0.41 1.12 -0.03 0.00 -1.03 0.00 0.00 55.69 56.16 2poa s MET 49 Cb -0.09 -2.39 0.04 0.00 -1.53 0.00 0.00 34.83 30.87 2poa s MET 49 CO 0.29 0.08 0.13 0.99 -2.03 0.00 0.00 175.02 174.49 2poa s THR 50 N -2.00 -0.18 -0.40 3.16 2.01 0.11 -0.66 115.64 117.68 2poa s THR 50 Ca 0.58 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 2poa s THR 50 Cb -0.12 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2poa s THR 50 CO 0.16 0.13 0.69 -0.04 -0.69 0.00 0.00 174.62 174.88 2poa s MET 51 N 1.93 3.51 -1.18 4.92 -1.94 -0.74 -1.03 119.30 124.77 2poa s MET 51 Ca -0.00 -0.07 -0.07 0.00 -1.71 0.00 0.00 55.69 53.84 2poa s MET 51 Cb -0.12 -3.88 0.24 0.00 2.01 0.00 0.00 34.83 33.08 2poa s MET 51 CO -0.05 -0.92 1.67 1.28 -0.01 0.00 0.00 175.02 176.99 2poa n LEU 52 N 6.33 6.51 -4.59 -0.03 4.77 0.32 -1.70 117.00 128.61 2poa n LEU 52 Ca 0.00 -4.92 -0.43 0.00 -0.03 0.00 0.00 56.01 50.64 2poa n LEU 52 Cb 0.48 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 2poa n LEU 52 CO 0.53 1.52 1.19 -0.89 -1.33 0.00 0.00 177.39 178.42 2poa s THR 53 N -1.13 3.93 -0.85 -5.08 2.01 -0.81 -3.76 115.64 109.95 2poa s THR 53 Ca 0.35 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.26 2poa s THR 53 Cb 0.07 -4.38 0.24 0.00 0.01 0.00 0.00 72.50 68.43 2poa s THR 53 CO 0.05 -0.96 0.85 -0.62 -0.69 0.00 0.00 174.62 173.25 2poa n GLU 54 N 8.23 2.81 -3.76 4.92 -0.58 -1.06 -0.16 120.64 131.03 2poa n GLU 54 Ca 0.14 -4.54 -0.21 0.00 -0.42 0.00 0.00 57.16 52.13 2poa n GLU 54 Cb 0.49 -2.38 -0.01 0.00 -0.57 0.00 0.00 31.44 28.96 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 -1.11 6.20 0.24 1.62 0.01 -0.45 -3.70 113.70 116.50 2poa s SER 55 Ca 0.31 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.52 2poa s SER 55 Cb 0.00 -1.66 0.30 0.00 0.21 0.00 0.00 66.02 64.88 2poa s SER 55 CO -0.07 -0.21 1.87 0.74 0.41 0.00 0.00 173.24 175.98 2poa h THR 56 N 1.05 1.09 0.00 1.44 2.02 -1.93 -2.91 112.91 113.66 2poa h THR 56 Ca -0.50 -0.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.11 2poa h THR 56 Cb 1.24 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2poa h THR 56 CO 0.58 0.19 -1.98 0.49 0.37 0.00 0.00 175.52 175.17 2poa n PHE 57 N -4.58 0.32 -3.75 3.16 3.72 -1.26 -4.72 117.46 110.34 2poa n PHE 57 Ca 0.12 0.11 -0.33 0.00 -0.05 0.00 0.00 57.45 57.29 2poa n PHE 57 Cb 0.13 -0.90 -0.09 0.00 -0.94 0.00 0.00 39.48 37.68 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2poa s LYS 58 N -2.89 2.86 -0.84 -1.08 1.02 -1.21 -4.45 119.74 113.15 2poa s LYS 58 Ca -0.07 -3.21 -0.15 0.00 0.02 0.00 0.00 55.97 52.56 2poa s LYS 58 Cb 0.09 -3.72 0.19 0.00 -0.52 0.00 0.00 37.83 33.87 2poa s LYS 58 CO 0.85 -1.26 0.86 0.54 -0.92 0.00 0.00 175.35 175.42 2poa s ASN 59 N -0.55 6.70 -0.28 2.83 4.22 -1.10 -1.34 114.94 125.42 2poa s ASN 59 Ca 0.25 -2.46 -0.22 0.00 -2.14 0.00 0.00 52.86 48.29 2poa s ASN 59 Cb -0.08 -2.26 0.09 0.00 1.28 0.00 0.00 41.25 40.27 2poa s ASN 59 CO -0.12 -0.73 0.80 -1.48 -2.04 0.00 0.00 177.10 173.53 2poa s LEU 60 N 0.94 -0.71 0.05 3.54 0.05 0.77 -4.98 118.68 118.34 2poa s LEU 60 Ca 0.21 1.28 -0.08 0.00 0.05 0.00 0.00 54.13 55.60 2poa s LEU 60 Cb -0.10 2.25 -0.05 0.00 -2.05 0.00 0.00 46.19 46.24 2poa s LEU 60 CO -0.08 -0.21 0.33 -0.94 -0.55 0.00 0.00 176.35 174.89 2poa s SER 61 N 0.77 6.55 -0.03 1.48 1.04 -1.26 -1.92 113.70 120.33 2poa s SER 61 Ca -0.03 0.65 -0.01 0.00 0.48 0.00 0.00 55.95 57.04 2poa s SER 61 Cb -0.05 -2.12 0.03 0.00 0.10 0.00 0.00 66.02 63.98 2poa s SER 61 CO -0.08 0.20 0.06 -0.69 0.98 0.00 0.00 173.24 173.71 2poa s VAL 62 N -1.37 -0.04 -0.11 5.02 1.01 -0.69 -4.97 120.40 119.24 2poa s VAL 62 Ca 0.31 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2poa s VAL 62 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2poa s VAL 62 CO 0.18 0.07 0.08 -0.89 0.00 0.00 0.00 175.10 174.53 2poa s THR 63 N 0.87 4.97 0.23 3.92 2.01 -1.26 -1.79 115.64 124.58 2poa s THR 63 Ca -0.07 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 2poa s THR 63 Cb -0.10 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.30 2poa s THR 63 CO -0.03 0.60 0.77 0.72 -0.69 0.00 0.00 174.62 175.99 2poa s PHE 64 N -0.84 -0.21 0.28 4.92 -0.71 0.17 -5.00 117.98 116.57 2poa s PHE 64 Ca 0.13 -0.18 0.03 0.00 -1.04 0.00 0.00 56.93 55.87 2poa s PHE 64 Cb -0.12 0.68 -0.06 0.00 -1.21 0.00 0.00 43.02 42.31 2poa s PHE 64 CO 0.03 -1.10 0.06 -1.59 -1.34 0.00 0.00 175.22 171.28 2poa s LYS 65 N -3.75 1.48 -1.12 1.99 0.00 -1.26 -1.49 119.74 115.60 2poa s LYS 65 Ca 0.10 -1.80 -0.25 0.00 0.00 0.00 0.00 55.97 54.02 2poa s LYS 65 Cb -0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 37.83 37.02 2poa s LYS 65 CO 0.04 -0.20 2.05 -0.59 0.00 0.00 0.00 175.35 176.65 2poa s PHE 66 N -3.49 1.47 0.00 1.78 -0.71 -1.26 -2.14 117.98 113.62 2poa s PHE 66 Ca 0.35 1.67 0.00 0.00 -1.04 0.00 0.00 56.93 57.91 2poa s PHE 66 Cb 0.08 -3.56 0.00 0.00 -1.21 0.00 0.00 43.02 38.33 2poa s PHE 66 CO 0.13 -0.85 0.00 0.41 -1.34 0.00 0.00 175.22 173.57 2poa n GLY 67 N 6.03 1.90 3.77 1.99 0.00 -0.80 -4.92 105.19 113.15 2poa n GLY 67 Ca 0.43 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 4.17 -0.98 1.61 0.41 -0.91 -4.66 118.70 118.34 2poa s GLU 68 Ca 0.00 2.01 -0.17 0.00 -0.41 0.00 0.00 54.97 56.39 2poa s GLU 68 Cb 0.00 -2.85 0.15 0.00 -1.78 0.00 0.00 34.13 29.65 2poa s GLU 68 CO 0.00 -0.27 1.16 -1.83 -0.49 0.00 0.00 175.26 173.83 2poa s GLU 69 N -2.06 3.71 -0.04 1.61 -1.05 -1.26 -2.93 118.70 116.67 2poa s GLU 69 Ca 0.54 -2.01 -0.29 0.00 -0.15 0.00 0.00 54.97 53.06 2poa s GLU 69 Cb -0.35 -4.90 -0.02 0.00 -0.44 0.00 0.00 34.13 28.41 2poa s GLU 69 CO 0.45 -1.73 0.97 -0.59 0.95 0.00 0.00 175.26 175.31 2poa s PHE 70 N 2.20 3.61 -0.02 4.83 -0.71 -1.09 -4.33 117.98 122.47 2poa s PHE 70 Ca 0.34 1.64 -0.26 0.00 -1.04 0.00 0.00 56.93 57.60 2poa s PHE 70 Cb -0.05 -3.12 -0.04 0.00 -1.21 0.00 0.00 43.02 38.60 2poa s PHE 70 CO -0.08 -0.08 0.81 0.16 -1.34 0.00 0.00 175.22 174.70 2poa s ASP 71 N 1.03 7.16 -0.11 1.98 -4.77 -1.26 -2.23 116.67 118.47 2poa s ASP 71 Ca 0.50 1.40 0.03 0.00 -3.30 0.00 0.00 52.55 51.18 2poa s ASP 71 Cb -0.20 -2.48 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2poa s ASP 71 CO 0.24 -0.15 -0.21 -1.83 0.70 0.00 0.00 175.17 173.92 2poa s GLU 72 N 0.74 2.80 -0.19 2.11 4.04 0.00 -4.87 118.70 123.33 2poa s GLU 72 Ca 0.43 -0.78 -0.20 0.00 0.04 0.00 0.00 54.97 54.46 2poa s GLU 72 Cb -0.19 -2.21 -0.03 0.00 0.02 0.00 0.00 34.13 31.72 2poa s GLU 72 CO 0.22 0.06 0.59 0.21 -1.84 0.00 0.00 175.26 174.51 2poa s LYS 73 N 0.63 4.21 0.14 -4.83 2.20 -1.26 -1.02 119.74 119.81 2poa s LYS 73 Ca -0.13 0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 2poa s LYS 73 Cb -0.16 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 2poa s LYS 73 CO 0.03 -0.20 0.38 0.95 -0.36 0.00 0.00 175.35 176.15 2poa s THR 74 N 1.77 5.17 0.53 3.43 -4.23 -0.41 -4.90 115.64 117.00 2poa s THR 74 Ca 0.27 0.02 0.18 0.00 -1.18 0.00 0.00 61.69 60.98 2poa s THR 74 Cb -0.16 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.34 2poa s THR 74 CO 0.10 0.03 2.16 -1.28 -0.54 0.00 0.00 174.62 175.09 2poa h SER 75 N 2.80 0.00 -0.18 3.99 0.87 -1.91 -0.69 113.55 118.43 2poa h SER 75 Ca -0.46 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.15 2poa h SER 75 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2poa h SER 75 CO 0.73 0.00 0.20 -0.78 -0.53 0.00 0.00 176.83 176.45 2poa h ASP 76 N 0.00 0.00 0.00 6.23 3.58 -1.95 -3.48 116.42 120.80 2poa h ASP 76 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2poa h ASP 76 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 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 -1.40 0.61 3.16 -0.78 0.00 -0.26 -4.81 105.19 101.71 2poa n GLY 77 Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.57 0.27 -0.70 1.61 1.81 -1.25 -4.95 118.95 116.31 2poa s ARG 78 Ca 0.00 0.90 -0.27 0.00 -1.72 0.00 0.00 55.73 54.65 2poa s ARG 78 Cb 0.00 0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.68 2poa s ARG 78 CO 0.00 -0.30 1.22 0.54 -0.68 0.00 0.00 175.30 176.08 2poa s ASN 79 N 2.55 6.21 -0.20 0.23 4.22 -1.26 -1.29 114.94 125.41 2poa s ASN 79 Ca 0.00 -0.41 -0.10 0.00 -2.14 0.00 0.00 52.86 50.22 2poa s ASN 79 Cb -0.12 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 39.82 2poa s ASN 79 CO -0.12 -1.72 0.13 0.68 -2.04 0.00 0.00 177.10 174.03 2poa s VAL 80 N 5.38 5.37 0.72 3.54 -7.23 -0.19 -4.75 120.40 123.24 2poa s VAL 80 Ca 0.35 0.17 -0.07 0.00 -1.81 0.00 0.00 61.98 60.62 2poa s VAL 80 Cb -0.09 -3.45 0.06 0.00 0.56 0.00 0.00 36.38 33.47 2poa s VAL 80 CO 0.16 0.44 1.03 -0.54 -0.31 0.00 0.00 175.10 175.89 2poa s LYS 81 N 0.34 2.16 -0.30 4.82 3.01 -0.26 -0.82 119.74 128.70 2poa s LYS 81 Ca 0.08 -0.22 0.04 0.00 -1.01 0.00 0.00 55.97 54.86 2poa s LYS 81 Cb -0.11 -2.15 0.18 0.00 -1.01 0.00 0.00 37.83 34.74 2poa s LYS 81 CO -0.02 -1.28 0.51 -1.12 0.51 0.00 0.00 175.35 173.95 2poa s SER 82 N -4.53 -0.66 -0.30 2.83 0.01 -0.95 -0.32 113.70 109.79 2poa s SER 82 Ca 0.60 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 2poa s SER 82 Cb -0.11 1.58 0.01 0.00 0.21 0.00 0.00 66.02 67.72 2poa s SER 82 CO 0.45 -0.32 0.94 0.54 0.41 0.00 0.00 173.24 175.26 2poa s VAL 83 N 2.64 4.66 -0.20 3.43 0.11 -0.16 -2.66 120.40 128.23 2poa s VAL 83 Ca 0.10 1.55 -0.09 0.00 -2.93 0.00 0.00 61.98 60.61 2poa s VAL 83 Cb -0.11 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.42 2poa s VAL 83 CO -0.27 -0.32 0.10 -0.69 -3.33 0.00 0.00 175.10 170.59 2poa s VAL 84 N 3.27 5.09 -0.10 2.04 1.01 -1.15 -1.18 120.40 129.37 2poa s VAL 84 Ca 0.39 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 2poa s VAL 84 Cb -0.13 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.97 2poa s VAL 84 CO 0.12 0.43 0.11 -0.70 0.00 0.00 0.00 175.10 175.06 2poa s GLU 85 N 0.51 0.01 -0.12 2.72 -6.30 -1.16 -1.90 118.70 112.46 2poa s GLU 85 Ca 0.06 0.28 -0.21 0.00 -2.50 0.00 0.00 54.97 52.60 2poa s GLU 85 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 34.13 33.09 2poa s GLU 85 CO 0.00 -0.45 0.59 -1.59 0.02 0.00 0.00 175.26 173.83 2poa s LYS 86 N 2.20 4.35 0.17 4.30 0.00 -1.26 -0.81 119.74 128.69 2poa s LYS 86 Ca 0.04 0.63 0.01 0.00 0.00 0.00 0.00 55.97 56.65 2poa s LYS 86 Cb -0.13 -3.47 0.02 0.00 0.00 0.00 0.00 37.83 34.25 2poa s LYS 86 CO -0.06 0.04 1.40 -0.91 0.00 0.00 0.00 175.35 175.82 2poa h ASN 87 N 6.89 0.36 0.00 0.03 -0.26 -0.74 -3.48 115.58 118.39 2poa h ASN 87 Ca -0.39 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.08 2poa h ASN 87 Cb 1.18 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 2poa h ASN 87 CO 0.76 1.04 0.00 -1.20 -1.06 0.00 0.00 177.43 176.96 2poa n SER 88 N -3.74 0.00 0.00 5.81 7.64 -1.23 -5.02 113.62 117.08 2poa n SER 88 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2poa n SER 88 Cb 0.77 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.17 -2.69 1.43 2.13 -1.26 -4.84 120.64 116.58 2poa n GLU 89 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2poa n GLU 89 Cb 0.00 -0.10 0.03 0.00 0.27 0.00 0.00 31.44 31.65 2poa n GLU 89 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2poa n SER 90 N -0.12 1.78 -3.30 4.31 3.41 -1.26 -4.32 113.62 114.12 2poa n SER 90 Ca 0.00 -2.59 -0.07 0.00 -0.26 0.00 0.00 58.87 55.95 2poa n SER 90 Cb 0.00 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 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 -3.37 0.41 0.19 4.33 2.47 -1.26 -3.65 119.74 118.86 2poa s LYS 91 Ca 0.29 0.41 0.01 0.00 -1.56 0.00 0.00 55.97 55.12 2poa s LYS 91 Cb 0.41 -0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.48 2poa s LYS 91 CO 0.00 -0.83 0.05 -1.17 0.16 0.00 0.00 175.35 173.56 2poa s LEU 92 N 2.59 1.80 -0.38 5.43 0.20 0.35 0.05 118.68 128.72 2poa s LEU 92 Ca 0.12 -1.26 0.04 0.00 0.69 0.00 0.00 54.13 53.72 2poa s LEU 92 Cb -0.14 0.10 0.16 0.00 -0.43 0.00 0.00 46.19 45.88 2poa s LEU 92 CO -0.23 -0.68 0.41 -0.89 -0.29 0.00 0.00 176.35 174.67 2poa s THR 93 N -3.83 -0.37 -1.25 3.68 2.01 0.01 0.12 115.64 116.02 2poa s THR 93 Ca 0.29 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 2poa s THR 93 Cb 0.07 -0.61 0.18 0.00 0.01 0.00 0.00 72.50 72.14 2poa s THR 93 CO 0.07 -0.55 1.69 1.67 -0.69 0.00 0.00 174.62 176.81 2poa n GLN 94 N 4.12 3.57 -2.30 4.92 7.27 -1.26 -2.98 117.38 130.72 2poa n GLN 94 Ca 0.12 -3.70 -0.43 0.00 0.07 0.00 0.00 57.00 53.07 2poa n GLN 94 Cb 0.46 -2.94 -0.02 0.00 2.41 0.00 0.00 30.24 30.15 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 0.65 4.06 -0.29 1.69 2.01 -0.33 -4.55 115.64 118.87 2poa s THR 95 Ca 0.40 1.27 -0.28 0.00 0.31 0.00 0.00 61.69 63.39 2poa s THR 95 Cb 0.05 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2poa s THR 95 CO 0.01 -0.14 1.03 -1.10 -0.69 0.00 0.00 174.62 173.72 2poa s GLN 96 N 3.74 4.11 -0.90 4.92 -0.21 -1.26 -0.99 119.66 129.06 2poa s GLN 96 Ca 0.61 1.09 -0.11 0.00 0.02 0.00 0.00 55.36 56.97 2poa s GLN 96 Cb -0.25 -3.71 0.23 0.00 1.00 0.00 0.00 33.01 30.29 2poa s GLN 96 CO 0.20 -0.80 0.84 0.08 -2.12 0.00 0.00 175.29 173.49 2poa s VAL 97 N 3.44 5.48 0.66 1.09 1.01 0.57 -1.65 120.40 130.99 2poa s VAL 97 Ca 0.43 -2.90 -0.00 0.00 0.00 0.00 0.00 61.98 59.51 2poa s VAL 97 Cb -0.13 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 31.97 2poa s VAL 97 CO 0.12 -1.07 0.91 -1.81 0.00 0.00 0.00 175.10 173.26 2poa s ASP 98 N 1.62 4.73 0.00 3.32 1.11 -1.26 -1.10 116.67 125.09 2poa s ASP 98 Ca 0.22 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.78 2poa s ASP 98 Cb -0.11 -0.41 0.00 0.00 1.07 0.00 0.00 42.92 43.47 2poa s ASP 98 CO -0.08 -1.57 0.21 -0.81 1.18 0.00 0.00 175.17 174.09 2poa n PRO 99 N -2.66 0.21 0.00 8.23 -0.04 -1.26 -1.27 135.00 138.21 2poa n PRO 99 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2poa n PRO 99 Cb 0.60 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.49 0.65 -1.95 0.54 4.01 -1.26 -5.13 118.16 114.54 2poa n LYS 100 Ca 0.00 -0.21 -0.02 0.00 -0.51 0.00 0.00 58.31 57.58 2poa n LYS 100 Cb 0.00 -0.65 -0.02 0.00 -0.51 0.00 0.00 35.03 33.86 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2poa n ASN 101 N -0.15 -3.22 -4.74 4.39 3.02 -0.40 -5.01 115.26 109.15 2poa n ASN 101 Ca 0.00 0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 55.00 2poa n ASN 101 Cb 0.08 -3.34 -0.03 0.00 -0.61 0.00 0.00 39.78 35.88 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 -0.35 3.15 0.39 3.41 2.01 -0.66 -4.87 115.64 118.72 2poa s THR 102 Ca -0.09 0.97 -0.24 0.00 0.31 0.00 0.00 61.69 62.64 2poa s THR 102 Cb 0.01 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 2poa s THR 102 CO 0.25 0.16 1.04 -0.89 -0.69 0.00 0.00 174.62 174.49 2poa s THR 103 N -0.08 3.76 -0.35 -0.82 2.01 -0.44 -4.23 115.64 115.48 2poa s THR 103 Ca 0.55 1.37 -0.21 0.00 0.31 0.00 0.00 61.69 63.71 2poa s THR 103 Cb -0.37 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.31 2poa s THR 103 CO 0.40 0.03 1.25 1.33 -0.69 0.00 0.00 174.62 176.94 2poa n VAL 104 N 0.04 0.00 0.17 3.82 0.24 -1.26 -4.05 118.33 117.28 2poa n VAL 104 Ca 0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 2poa n VAL 104 Cb 0.49 -0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.66 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 3.67 1.82 0.00 1.34 -6.64 -1.26 -4.69 119.36 113.60 2poa n ILE 105 Ca 0.31 -0.72 0.00 0.00 -1.77 0.00 0.00 62.75 60.58 2poa n ILE 105 Cb -0.01 -0.81 0.00 0.00 -1.44 0.00 0.00 39.64 37.38 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2poa n VAL 106 N -0.10 0.00 -3.52 7.28 0.24 -1.26 -3.05 118.33 117.92 2poa n VAL 106 Ca 0.22 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.10 2poa n VAL 106 Cb 0.93 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 2poa n VAL 106 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2poa s ARG 107 N 0.00 2.82 0.24 7.34 3.52 0.12 -2.52 118.95 130.47 2poa s ARG 107 Ca 0.00 -1.27 0.02 0.00 -0.13 0.00 0.00 55.73 54.36 2poa s ARG 107 Cb 0.00 -3.90 0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2poa s ARG 107 CO 0.00 -0.88 0.33 0.39 -0.81 0.00 0.00 175.30 174.33 2poa n GLU 108 N 5.05 0.67 -4.01 5.12 1.02 0.22 -0.49 120.64 128.21 2poa n GLU 108 Ca -0.11 -1.11 -0.19 0.00 -0.02 0.00 0.00 57.16 55.73 2poa n GLU 108 Cb 0.44 -0.15 -0.16 0.00 -0.02 0.00 0.00 31.44 31.55 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 -0.58 0.34 -0.69 2.62 0.11 -1.24 -1.51 120.40 119.44 2poa s VAL 109 Ca 0.23 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2poa s VAL 109 Cb -0.02 -0.41 0.38 0.00 -1.53 0.00 0.00 36.38 34.80 2poa s VAL 109 CO 0.15 0.19 1.63 0.47 -3.33 0.00 0.00 175.10 174.20 2poa n ASP 110 N 4.19 6.33 -1.54 3.54 9.92 -0.60 -4.84 116.55 133.56 2poa n ASP 110 Ca -0.24 -3.78 -0.00 0.00 -0.53 0.00 0.00 54.79 50.24 2poa n ASP 110 Cb 0.51 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 -0.48 -0.34 3.39 0.44 0.00 -1.26 -4.36 105.19 102.58 2poa n GLY 111 Ca 0.47 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.99 -3.07 -3.77 1.61 9.92 -1.26 -4.97 116.55 114.02 2poa n ASP 112 Ca 0.00 -0.38 -0.30 0.00 -0.53 0.00 0.00 54.79 53.58 2poa n ASP 112 Cb 0.48 -2.58 -0.14 0.00 -0.64 0.00 0.00 41.12 38.24 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 -2.84 1.50 -0.80 -3.53 -1.32 -1.26 -4.20 115.64 103.18 2poa s THR 113 Ca 0.40 -2.35 -0.25 0.00 -1.21 0.00 0.00 61.69 58.27 2poa s THR 113 Cb -0.22 -2.07 0.01 0.00 -1.51 0.00 0.00 72.50 68.71 2poa s THR 113 CO 0.49 -0.81 1.60 -0.04 -2.21 0.00 0.00 174.62 173.65 2poa s MET 114 N 0.63 3.01 -0.65 7.08 -1.94 0.24 -1.55 119.30 126.13 2poa s MET 114 Ca 0.15 -0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 53.69 2poa s MET 114 Cb -0.23 -4.68 0.08 0.00 2.01 0.00 0.00 34.83 32.02 2poa s MET 114 CO -0.06 -2.55 0.90 0.21 -0.01 0.00 0.00 175.02 173.50 2poa s LYS 115 N 6.15 3.11 -0.53 2.03 2.20 -0.57 -3.15 119.74 128.98 2poa s LYS 115 Ca 0.53 -1.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2poa s LYS 115 Cb -0.07 -4.27 0.14 0.00 -1.51 0.00 0.00 37.83 32.12 2poa s LYS 115 CO 0.08 -1.74 0.29 -0.08 -0.36 0.00 0.00 175.35 173.54 2poa s THR 116 N 3.61 2.86 -0.66 3.43 -1.32 0.10 -0.61 115.64 123.05 2poa s THR 116 Ca 0.19 -3.15 -0.27 0.00 -1.21 0.00 0.00 61.69 57.26 2poa s THR 116 Cb -0.19 -2.96 -0.00 0.00 -1.51 0.00 0.00 72.50 67.85 2poa s THR 116 CO 0.08 -0.80 1.66 -0.89 -2.21 0.00 0.00 174.62 172.46 2poa s THR 117 N -0.13 3.48 -0.82 5.08 2.01 -1.05 -3.19 115.64 121.03 2poa s THR 117 Ca 0.16 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.21 2poa s THR 117 Cb -0.24 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.07 2poa s THR 117 CO -0.01 -1.24 1.15 0.54 -0.69 0.00 0.00 174.62 174.36 2poa s VAL 118 N 7.92 4.28 0.20 3.82 0.11 0.09 -4.18 120.40 132.65 2poa s VAL 118 Ca 0.56 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2poa s VAL 118 Cb -0.11 -4.81 -0.03 0.00 -1.53 0.00 0.00 36.38 29.89 2poa s VAL 118 CO 0.18 -1.62 0.32 0.28 -3.33 0.00 0.00 175.10 170.94 2poa s THR 119 N 4.06 5.23 -0.40 5.04 -1.32 -1.26 -0.95 115.64 126.04 2poa s THR 119 Ca 0.31 -0.89 0.06 0.00 -1.21 0.00 0.00 61.69 59.96 2poa s THR 119 Cb -0.09 -3.78 0.22 0.00 -1.51 0.00 0.00 72.50 67.34 2poa s THR 119 CO 0.01 -0.23 0.46 0.52 -2.21 0.00 0.00 174.62 173.17 2poa n VAL 120 N -1.05 -0.88 0.00 5.08 0.31 -1.26 -1.33 118.33 119.20 2poa n VAL 120 Ca -0.08 -3.71 0.00 0.00 -0.01 0.00 0.00 64.34 60.54 2poa n VAL 120 Cb 0.56 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 1.98 0.64 1.98 2.92 0.00 -1.26 -4.47 105.19 106.98 2poa n GLY 121 Ca 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 1.32 -0.15 0.10 1.61 5.68 -1.26 -4.98 116.55 118.87 2poa n ASP 122 Ca 0.00 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2poa n ASP 122 Cb 0.00 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.47 0.49 -2.82 2.12 0.31 -1.26 -5.12 118.33 111.57 2poa n VAL 123 Ca -0.10 0.16 -0.04 0.00 -0.01 0.00 0.00 64.34 64.35 2poa n VAL 123 Cb 0.87 -0.95 0.01 0.00 -0.91 0.00 0.00 33.84 32.86 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 -3.47 -9.99 -3.15 2.52 -1.04 -1.23 -4.97 114.28 92.96 2poa n THR 124 Ca 0.00 0.38 -0.45 0.00 -2.04 0.00 0.00 64.05 61.94 2poa n THR 124 Cb 0.01 -6.88 -0.05 0.00 -1.82 0.00 0.00 70.33 61.59 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 -2.70 3.45 -1.09 2.41 0.00 -0.13 -4.69 121.76 119.01 2poa s ALA 125 Ca 0.13 -2.23 -0.22 0.00 0.00 0.00 0.00 51.96 49.64 2poa s ALA 125 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2poa s ALA 125 CO 0.70 -2.26 1.75 -1.50 0.00 0.00 0.00 175.76 174.44 2poa s ILE 126 N 2.51 3.77 -0.58 0.00 1.10 -1.26 -0.74 121.20 126.00 2poa s ILE 126 Ca 0.10 -0.96 -0.26 0.00 -0.51 0.00 0.00 60.65 59.02 2poa s ILE 126 Cb -0.25 -4.72 0.04 0.00 0.15 0.00 0.00 42.46 37.68 2poa s ILE 126 CO 0.06 -1.51 1.07 -0.13 -2.11 0.00 0.00 174.94 172.32 2poa s ARG 127 N 5.64 3.39 0.01 3.50 0.52 -1.19 -4.51 118.95 126.30 2poa s ARG 127 Ca 0.59 -0.07 -0.20 0.00 -0.52 0.00 0.00 55.73 55.53 2poa s ARG 127 Cb -0.01 -4.05 -0.06 0.00 0.52 0.00 0.00 34.95 31.35 2poa s ARG 127 CO 0.01 -1.62 0.57 -0.80 0.02 0.00 0.00 175.30 173.49 2poa s ASN 128 N 2.98 6.97 -0.01 0.23 0.01 -1.25 -0.72 114.94 123.14 2poa s ASN 128 Ca 0.36 1.16 0.00 0.00 -0.71 0.00 0.00 52.86 53.67 2poa s ASN 128 Cb -0.10 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.22 2poa s ASN 128 CO 0.21 0.15 0.01 -0.31 -1.51 0.00 0.00 177.10 175.65 2poa s TYR 129 N -0.41 0.07 -0.38 2.20 1.51 -1.19 0.13 117.35 119.28 2poa s TYR 129 Ca 0.30 0.04 -0.19 0.00 -1.01 0.00 0.00 57.07 56.21 2poa s TYR 129 Cb -0.18 -0.14 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 2poa s TYR 129 CO 0.17 -0.04 0.57 0.15 -1.11 0.00 0.00 175.55 175.28 2poa s LYS 130 N 0.47 3.48 -0.43 -0.62 -0.14 -0.09 -0.59 119.74 121.81 2poa s LYS 130 Ca -0.04 -0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 54.04 2poa s LYS 130 Cb -0.06 -3.87 0.02 0.00 -1.68 0.00 0.00 37.83 32.25 2poa s LYS 130 CO -0.01 -0.79 1.18 0.50 -0.76 0.00 0.00 175.35 175.46 2poa s ARG 131 N 2.55 3.78 -0.23 1.68 3.00 -1.26 -1.65 118.95 126.82 2poa s ARG 131 Ca 0.20 0.75 -0.00 0.00 -1.00 0.00 0.00 55.73 55.68 2poa s ARG 131 Cb -0.15 -3.89 0.03 0.00 0.00 0.00 0.00 34.95 30.94 2poa s ARG 131 CO 0.15 -1.31 -0.11 -0.51 0.00 0.00 0.00 175.30 173.53 2poa s LEU 132 N 4.44 2.93 0.00 -0.88 1.43 0.18 -4.96 118.68 121.83 2poa s LEU 132 Ca 0.50 -0.89 0.25 0.00 -1.03 0.00 0.00 54.13 52.96 2poa s LEU 132 Cb -0.09 -1.59 0.42 0.00 0.03 0.00 0.00 46.19 44.95 2poa s LEU 132 CO 0.28 -0.10 1.39 -1.54 0.23 0.00 0.00 176.35 176.62