#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn s SER 2 N 0.00 6.12 0.24 1.61 0.01 -1.26 -4.99 113.70 115.44 1xpn s SER 2 Ca 0.00 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.66 1xpn s SER 2 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1xpn s SER 2 CO 0.00 -1.85 0.50 -0.94 0.41 0.00 0.00 173.24 171.36 1xpn s SER 3 N 4.39 6.46 0.06 2.44 1.04 -1.26 -5.03 113.70 121.80 1xpn s SER 3 Ca 0.40 0.66 -0.30 0.00 0.48 0.00 0.00 55.95 57.19 1xpn s SER 3 Cb -0.07 -2.12 -0.09 0.00 0.10 0.00 0.00 66.02 63.84 1xpn s SER 3 CO 0.11 -0.12 1.81 -1.00 0.98 0.00 0.00 173.24 175.03 1xpn s HIS 4 N -1.95 1.90 -0.13 5.02 3.76 -1.26 -4.88 115.29 117.74 1xpn s HIS 4 Ca 0.43 -0.07 0.15 0.00 -0.15 0.00 0.00 55.06 55.42 1xpn s HIS 4 Cb -0.11 -4.12 -0.00 0.00 1.11 0.00 0.00 32.58 29.46 1xpn s HIS 4 CO 0.28 -4.75 1.29 0.45 -0.85 0.00 0.00 174.74 171.16 1xpn h HIS 5 N 9.32 0.00 0.02 1.40 -0.00 -2.03 -3.29 115.15 120.57 1xpn h HIS 5 Ca -0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 59.70 1xpn h HIS 5 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 1xpn h HIS 5 CO 0.86 0.56 -0.98 1.25 -0.00 0.00 0.00 177.93 179.61 1xpn h HIS 6 N 0.00 0.12 0.00 2.45 2.76 -2.01 -3.46 115.15 115.01 1xpn h HIS 6 Ca -0.04 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1xpn h HIS 6 Cb 1.46 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1xpn h HIS 6 CO 0.00 1.00 0.00 0.72 -1.30 0.00 0.00 177.93 178.35 1xpn n HIS 7 N -3.47 0.00 0.00 5.26 8.25 -1.24 -3.48 115.22 120.54 1xpn n HIS 7 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1xpn n HIS 7 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1xpn n HIS 7 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xpn n HIS 8 N 0.00 0.00 -3.42 4.41 1.44 -1.26 -5.03 115.22 111.36 1xpn n HIS 8 Ca 0.00 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 1xpn n HIS 8 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1xpn n HIS 8 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xpn s HIS 9 N -1.00 -0.18 0.00 -1.40 5.65 -1.23 -5.05 115.29 112.09 1xpn s HIS 9 Ca 0.00 -0.59 0.00 0.00 0.25 0.00 0.00 55.06 54.72 1xpn s HIS 9 Cb 0.00 -0.57 0.00 0.00 -1.18 0.00 0.00 32.58 30.83 1xpn s HIS 9 CO 0.00 -0.91 0.00 -1.13 -0.65 0.00 0.00 174.74 172.05 1xpn n SER 10 N 4.92 0.00 -0.04 9.88 3.41 -1.23 -4.90 113.62 125.65 1xpn n SER 10 Ca 0.02 0.14 -0.03 0.00 -0.26 0.00 0.00 58.87 58.74 1xpn n SER 10 Cb 0.44 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1xpn n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xpn n SER 11 N -1.43 0.92 0.00 4.04 7.64 -1.26 -5.12 113.62 118.40 1xpn n SER 11 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1xpn n SER 11 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1xpn n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 12 N 1.60 -0.09 2.99 0.23 0.00 -1.26 -5.05 105.19 103.62 1xpn n GLY 12 Ca -0.05 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1xpn n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpn s LEU 13 N 0.00 4.19 -0.60 0.99 1.02 -1.26 -5.04 118.68 117.97 1xpn s LEU 13 Ca 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 54.13 52.21 1xpn s LEU 13 Cb 0.00 -1.52 0.15 0.00 0.02 0.00 0.00 46.19 44.85 1xpn s LEU 13 CO 0.00 -0.35 0.39 -0.69 0.02 0.00 0.00 176.35 175.73 1xpn s VAL 14 N 1.03 3.38 -0.42 -1.59 1.01 -1.26 -4.91 120.40 117.64 1xpn s VAL 14 Ca 0.07 -3.11 0.23 0.00 0.00 0.00 0.00 61.98 59.17 1xpn s VAL 14 Cb -0.19 -3.24 0.20 0.00 0.00 0.00 0.00 36.38 33.16 1xpn s VAL 14 CO -0.09 -0.86 1.42 1.55 0.00 0.00 0.00 175.10 177.12 1xpn h PRO 15 N 6.82 0.00 -5.02 2.72 0.14 -2.07 -3.43 132.00 131.15 1xpn h PRO 15 Ca -0.03 0.00 -0.68 0.00 0.14 0.00 0.00 66.00 65.43 1xpn h PRO 15 Cb 0.93 0.00 -0.18 0.00 0.14 0.00 0.00 31.00 31.89 1xpn h PRO 15 CO 0.71 0.00 0.13 0.50 0.14 0.00 0.00 178.00 179.48 1xpn s ARG 16 N -3.24 3.13 -0.31 0.86 3.52 -1.26 -4.87 118.95 116.77 1xpn s ARG 16 Ca 0.05 -0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 1xpn s ARG 16 Cb 0.08 -4.13 0.19 0.00 -1.56 0.00 0.00 34.95 29.53 1xpn s ARG 16 CO 0.71 -1.33 1.13 0.20 -0.81 0.00 0.00 175.30 175.19 1xpn s GLY 17 N 2.92 -1.61 -0.02 8.12 0.00 -1.26 -5.09 107.32 110.39 1xpn s GLY 17 Ca 0.16 1.48 -0.07 0.00 0.00 0.00 0.00 44.72 46.30 1xpn s GLY 17 CO 0.11 4.43 0.50 1.48 0.00 0.00 0.00 173.10 179.63 1xpn h SER 18 N 5.10 -0.22 -3.91 1.64 4.64 -2.01 -3.47 113.55 115.33 1xpn h SER 18 Ca -0.05 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1xpn h SER 18 Cb 1.25 0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 63.15 1xpn h SER 18 CO -0.11 -0.01 -0.32 -1.38 -0.87 0.00 0.00 176.83 174.14 1xpn s HIS 19 N -2.50 -0.36 -0.97 4.77 -3.43 -1.26 -5.09 115.29 106.45 1xpn s HIS 19 Ca -0.04 0.87 -0.24 0.00 -0.80 0.00 0.00 55.06 54.85 1xpn s HIS 19 Cb 0.00 0.12 0.05 0.00 -1.43 0.00 0.00 32.58 31.32 1xpn s HIS 19 CO 0.11 -0.19 1.41 1.41 -2.00 0.00 0.00 174.74 175.49 1xpn s MET 20 N 0.11 3.51 -0.58 -0.38 1.75 -1.26 -4.83 119.30 117.63 1xpn s MET 20 Ca -0.01 -0.96 0.03 0.00 -1.25 0.00 0.00 55.69 53.51 1xpn s MET 20 Cb -0.02 -5.13 0.38 0.00 2.84 0.00 0.00 34.83 32.90 1xpn s MET 20 CO 0.01 -2.19 1.27 0.00 -0.65 0.00 0.00 175.02 173.45 1xpn n ALA 21 N 8.95 5.29 -0.03 4.11 0.00 -1.26 -4.83 120.51 132.74 1xpn n ALA 21 Ca 0.27 -4.40 -0.09 0.00 0.00 0.00 0.00 53.44 49.22 1xpn n ALA 21 Cb 0.51 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1xpn n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xpn h SER 22 N 2.85 -0.11 -2.82 0.00 0.02 -2.08 -3.38 113.55 108.02 1xpn h SER 22 Ca 0.32 0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.78 1xpn h SER 22 Cb 0.64 0.09 -0.40 0.00 0.14 0.00 0.00 62.40 62.87 1xpn h SER 22 CO 0.96 -0.03 -0.78 0.21 -1.14 0.00 0.00 176.83 176.05 1xpn s ASN 23 N -5.22 3.54 -0.17 3.07 3.84 -1.26 -5.00 114.94 113.74 1xpn s ASN 23 Ca -0.13 -1.30 0.07 0.00 0.21 0.00 0.00 52.86 51.71 1xpn s ASN 23 Cb 0.09 -0.39 0.48 0.00 -0.55 0.00 0.00 41.25 40.89 1xpn s ASN 23 CO 0.68 -0.44 1.33 -0.81 -2.79 0.00 0.00 177.10 175.08 1xpn n PRO 24 N 5.22 3.03 0.00 0.43 -0.04 -1.26 -4.54 135.00 137.84 1xpn n PRO 24 Ca -0.06 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1xpn n PRO 24 Cb 0.42 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1xpn n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xpn n ASN 25 N 0.18 0.00 -4.03 3.54 5.03 -1.26 -4.93 115.26 113.80 1xpn n ASN 25 Ca 0.21 0.01 -0.27 0.00 0.87 0.00 0.00 54.58 55.41 1xpn n ASN 25 Cb 0.92 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 39.61 1xpn n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1xpn n ASP 26 N -1.30 -0.11 -2.17 6.41 8.00 -1.26 -3.68 116.55 122.45 1xpn n ASP 26 Ca 0.00 -1.06 -0.00 0.00 0.71 0.00 0.00 54.79 54.44 1xpn n ASP 26 Cb 0.00 -2.76 -0.00 0.00 -0.02 0.00 0.00 41.12 38.34 1xpn n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xpn n LEU 27 N -4.44 -5.26 -4.77 0.64 4.77 -1.26 -5.00 117.00 101.68 1xpn n LEU 27 Ca -0.31 0.83 -0.36 0.00 -0.03 0.00 0.00 56.01 56.15 1xpn n LEU 27 Cb 0.69 -2.30 -0.01 0.00 -2.33 0.00 0.00 43.42 39.47 1xpn n LEU 27 CO 0.77 -1.82 0.80 -2.16 -1.33 0.00 0.00 177.39 173.65 1xpn s PRO 28 N -0.89 3.57 -0.58 3.23 0.04 -1.24 -4.94 135.00 134.18 1xpn s PRO 28 Ca -0.01 1.67 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1xpn s PRO 28 Cb 0.00 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1xpn s PRO 28 CO 0.43 -0.69 1.31 0.34 0.04 0.00 0.00 177.00 178.44 1xpn s ASP 29 N -1.60 6.26 0.08 6.66 2.15 -1.26 -4.89 116.67 124.08 1xpn s ASP 29 Ca 0.68 0.17 0.07 0.00 0.43 0.00 0.00 52.55 53.90 1xpn s ASP 29 Cb -0.26 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.78 1xpn s ASP 29 CO 0.30 -1.62 -0.18 -0.36 -0.17 0.00 0.00 175.17 173.14 1xpn s PHE 30 N 5.58 1.55 0.00 -5.34 0.08 -1.26 -5.16 117.98 113.42 1xpn s PHE 30 Ca 0.47 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1xpn s PHE 30 Cb -0.09 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 1xpn s PHE 30 CO 0.25 0.14 0.00 -0.35 -0.10 0.00 0.00 175.22 175.15 1xpn n PRO 31 N 1.24 0.30 0.00 0.24 -0.04 -1.26 -4.95 135.00 130.53 1xpn n PRO 31 Ca -0.20 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1xpn n PRO 31 Cb 0.54 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.59 1xpn n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xpn n GLU 32 N -0.99 0.98 -0.26 0.54 4.71 -1.26 -3.67 120.64 120.68 1xpn n GLU 32 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1xpn n GLU 32 Cb 0.00 -1.32 0.05 0.00 -1.01 0.00 0.00 31.44 29.16 1xpn n GLU 32 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1xpn h HIS 33 N 0.00 1.10 -0.33 -0.32 2.76 -1.97 0.24 115.15 116.63 1xpn h HIS 33 Ca 0.00 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 57.95 1xpn h HIS 33 Cb 0.00 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 1xpn h HIS 33 CO 0.00 0.85 -0.34 0.93 -1.30 0.00 0.00 177.93 178.08 1xpn h GLU 34 N 1.03 0.74 -0.10 5.26 3.07 -1.97 -2.45 114.58 120.17 1xpn h GLU 34 Ca 0.24 -0.35 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1xpn h GLU 34 Cb 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1xpn h GLU 34 CO -0.02 0.97 -0.51 1.88 -1.40 0.00 0.00 179.01 179.93 1xpn h TYR 35 N 0.62 0.32 -0.01 4.33 0.05 -1.62 -2.65 116.97 118.01 1xpn h TYR 35 Ca 0.06 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1xpn h TYR 35 Cb 0.87 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.54 1xpn h TYR 35 CO 0.04 0.72 -0.06 0.00 -1.05 0.00 0.00 178.16 177.82 1xpn n ALA 36 N -2.47 2.70 1.28 3.88 0.00 0.78 -3.50 120.51 123.18 1xpn n ALA 36 Ca -0.02 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.26 1xpn n ALA 36 Cb 0.55 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 19.09 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn n ALA 37 N -0.68 3.00 -2.06 0.00 0.00 -0.93 -4.60 120.51 115.24 1xpn n ALA 37 Ca 0.18 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1xpn n ALA 37 Cb 0.25 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1xpn n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xpn n THR 38 N -0.70 3.51 -4.02 0.00 -2.24 -1.23 -4.86 114.28 104.74 1xpn n THR 38 Ca 0.13 -3.35 -0.31 0.00 -2.27 0.00 0.00 64.05 58.25 1xpn n THR 38 Cb 0.33 -2.47 -0.15 0.00 -2.10 0.00 0.00 70.33 65.94 1xpn n THR 38 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xpn s GLN 39 N 3.85 1.91 -0.30 -0.78 -0.21 -1.26 -5.04 119.66 117.83 1xpn s GLN 39 Ca 0.51 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 54.61 1xpn s GLN 39 Cb 0.09 -2.83 0.20 0.00 1.00 0.00 0.00 33.01 31.47 1xpn s GLN 39 CO 0.00 -0.64 0.67 -1.14 -2.12 0.00 0.00 175.29 172.06 1xpn s GLN 40 N 1.17 0.51 -0.60 2.91 -0.44 -1.26 -5.05 119.66 116.90 1xpn s GLN 40 Ca -0.05 0.40 -0.27 0.00 -2.50 0.00 0.00 55.36 52.94 1xpn s GLN 40 Cb -0.19 0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.38 1xpn s GLN 40 CO -0.06 -0.92 1.56 0.08 0.50 0.00 0.00 175.29 176.45 1xpn s VAL 41 N 2.74 3.61 0.04 1.34 1.01 -1.26 -3.59 120.40 124.29 1xpn s VAL 41 Ca 0.13 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1xpn s VAL 41 Cb -0.08 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1xpn s VAL 41 CO -0.24 -1.17 -0.12 -0.83 0.00 0.00 0.00 175.10 172.74 1xpn s GLY 42 N 5.64 0.71 -0.74 4.51 0.00 -1.26 -4.98 107.32 111.22 1xpn s GLY 42 Ca 0.56 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 1xpn s GLY 42 CO 0.22 -0.76 2.02 0.61 0.00 0.00 0.00 173.10 175.18 1xpn n GLY 43 N 1.89 5.74 3.57 0.20 0.00 -1.26 -0.49 105.19 114.85 1xpn n GLY 43 Ca -0.18 -2.39 -0.41 0.00 0.00 0.00 0.00 46.02 43.04 1xpn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xpn s GLY 44 N -1.57 0.50 -0.56 -0.02 0.00 -1.23 -4.53 107.32 99.92 1xpn s GLY 44 Ca 0.60 -0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.85 1xpn s GLY 44 CO -0.17 3.32 1.02 0.14 0.00 0.00 0.00 173.10 177.41 1xpn s VAL 45 N 7.95 4.27 -0.25 1.40 1.01 -1.21 -3.52 120.40 130.04 1xpn s VAL 45 Ca 0.73 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 1xpn s VAL 45 Cb -0.17 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1xpn s VAL 45 CO 0.27 -1.19 0.07 -0.63 0.00 0.00 0.00 175.10 173.63 1xpn s ILE 46 N 4.28 4.29 -0.29 2.22 1.01 -0.12 0.24 121.20 132.83 1xpn s ILE 46 Ca 0.35 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 1xpn s ILE 46 Cb -0.11 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1xpn s ILE 46 CO 0.21 0.33 0.14 0.20 0.00 0.00 0.00 174.94 175.82 1xpn s ASN 47 N 1.61 5.53 -0.18 3.58 0.02 0.52 -1.28 114.94 124.74 1xpn s ASN 47 Ca 0.06 -0.36 -0.01 0.00 -1.02 0.00 0.00 52.86 51.53 1xpn s ASN 47 Cb -0.15 -2.00 -0.00 0.00 0.02 0.00 0.00 41.25 39.11 1xpn s ASN 47 CO 0.04 -0.13 -0.12 -0.83 0.02 0.00 0.00 177.10 176.07 1xpn s GLY 48 N 1.64 1.51 -0.31 0.66 0.00 0.20 -0.64 107.32 110.38 1xpn s GLY 48 Ca 0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 1xpn s GLY 48 CO 0.06 0.19 0.06 0.99 0.00 0.00 0.00 173.10 174.41 1xpn s ASP 49 N 1.08 5.07 -0.12 1.64 1.11 0.13 -0.40 116.67 125.19 1xpn s ASP 49 Ca 0.00 -0.99 -0.14 0.00 0.18 0.00 0.00 52.55 51.60 1xpn s ASP 49 Cb -0.15 -1.83 -0.05 0.00 1.07 0.00 0.00 42.92 41.97 1xpn s ASP 49 CO -0.03 -0.25 0.34 -0.22 1.18 0.00 0.00 175.17 176.19 1xpn s LEU 50 N 1.40 4.30 -0.29 1.23 2.96 0.98 -0.06 118.68 129.21 1xpn s LEU 50 Ca -0.01 0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 54.40 1xpn s LEU 50 Cb -0.18 -2.45 0.10 0.00 0.50 0.00 0.00 46.19 44.16 1xpn s LEU 50 CO 0.01 0.14 0.73 -0.72 -1.32 0.00 0.00 176.35 175.20 1xpn s TYR 51 N 0.13 -1.05 -0.12 5.38 1.13 -0.57 -4.37 117.35 117.88 1xpn s TYR 51 Ca 0.19 2.00 -0.01 0.00 -1.41 0.00 0.00 57.07 57.85 1xpn s TYR 51 Cb -0.14 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1xpn s TYR 51 CO 0.07 -0.52 -0.08 -0.51 -2.51 0.00 0.00 175.55 172.00 1xpn s LEU 52 N 1.92 3.01 -0.30 -3.49 1.43 0.10 -4.49 118.68 116.86 1xpn s LEU 52 Ca -0.09 -0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 1xpn s LEU 52 Cb -0.06 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1xpn s LEU 52 CO -0.19 0.21 0.94 0.42 0.23 0.00 0.00 176.35 177.96 1xpn s THR 53 N 0.08 4.67 0.72 5.49 -4.23 -1.26 -1.16 115.64 119.95 1xpn s THR 53 Ca -0.03 1.52 -0.15 0.00 -1.18 0.00 0.00 61.69 61.86 1xpn s THR 53 Cb -0.14 -4.27 0.03 0.00 1.34 0.00 0.00 72.50 69.46 1xpn s THR 53 CO 0.04 -0.33 1.18 -0.44 -0.54 0.00 0.00 174.62 174.53 1xpn s SER 54 N 1.57 4.38 0.50 3.99 0.01 0.18 -4.86 113.70 119.47 1xpn s SER 54 Ca 0.39 2.25 0.25 0.00 1.31 0.00 0.00 55.95 60.15 1xpn s SER 54 Cb -0.13 -2.58 1.34 0.00 0.21 0.00 0.00 66.02 64.86 1xpn s SER 54 CO 0.13 -2.13 2.04 0.00 0.41 0.00 0.00 173.24 173.68 1xpn h ALA 55 N -0.28 1.33 0.00 1.44 0.00 -1.96 0.10 119.26 119.89 1xpn h ALA 55 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpn h ALA 55 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpn h ALA 55 CO 0.50 0.18 0.00 0.77 0.00 0.00 0.00 179.25 180.70 1xpn h SER 56 N 0.00 0.00 -0.17 0.00 0.02 -2.03 -3.47 113.55 107.90 1xpn h SER 56 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpn h SER 56 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xpn h SER 56 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1xpn n GLY 57 N 0.42 0.64 3.29 -3.77 0.00 0.35 -5.12 105.19 101.00 1xpn n GLY 57 Ca 0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn s ALA 58 N -1.47 1.83 -0.40 4.61 0.00 -1.24 -4.89 121.76 120.20 1xpn s ALA 58 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 1xpn s ALA 58 Cb 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1xpn s ALA 58 CO 0.00 0.38 0.26 0.42 0.00 0.00 0.00 175.76 176.82 1xpn s ILE 59 N -1.09 4.78 -0.28 0.00 1.01 -1.26 0.47 121.20 124.82 1xpn s ILE 59 Ca 0.07 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1xpn s ILE 59 Cb -0.10 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1xpn s ILE 59 CO 0.04 -0.33 0.10 -1.10 0.00 0.00 0.00 174.94 173.65 1xpn s GLN 60 N 1.58 3.39 0.00 2.79 -1.52 -0.31 -4.94 119.66 120.65 1xpn s GLN 60 Ca 0.03 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 1xpn s GLN 60 Cb -0.20 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 1xpn s GLN 60 CO 0.07 -0.34 0.58 1.63 -0.25 0.00 0.00 175.29 176.98 1xpn n LYS 61 N 4.93 0.00 0.00 2.91 4.76 -1.26 0.02 118.16 129.52 1xpn n LYS 61 Ca -0.15 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1xpn n LYS 61 Cb 0.50 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1xpn n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xpn n GLY 62 N 0.15 0.99 3.66 0.72 0.00 -1.26 -3.47 105.19 105.97 1xpn n GLY 62 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1xpn n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 63 N 0.00 4.48 -1.53 2.61 -4.23 -1.26 -3.51 115.64 112.19 1xpn s THR 63 Ca 0.00 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1xpn s THR 63 Cb 0.00 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1xpn s THR 63 CO 0.00 0.55 0.15 0.59 -0.54 0.00 0.00 174.62 175.38 1xpn n ASN 64 N 2.69 -5.31 -4.75 3.99 3.02 -1.26 -4.93 115.26 108.71 1xpn n ASN 64 Ca -0.18 -0.04 -0.39 0.00 -0.03 0.00 0.00 54.58 53.94 1xpn n ASN 64 Cb 0.53 -4.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xpn s THR 65 N -2.96 4.99 -0.37 3.41 2.01 -1.26 -4.90 115.64 116.56 1xpn s THR 65 Ca 0.09 1.24 -0.25 0.00 0.31 0.00 0.00 61.69 63.08 1xpn s THR 65 Cb -0.04 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1xpn s THR 65 CO 0.11 0.36 0.87 -0.75 -0.69 0.00 0.00 174.62 174.52 1xpn s LYS 66 N 0.17 3.79 -0.36 4.92 2.47 -1.24 -2.01 119.74 127.49 1xpn s LYS 66 Ca 0.32 0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 55.07 1xpn s LYS 66 Cb -0.18 -3.81 0.01 0.00 -1.46 0.00 0.00 37.83 32.40 1xpn s LYS 66 CO 0.16 -0.92 0.21 0.08 0.16 0.00 0.00 175.35 175.04 1xpn s VAL 67 N 3.34 4.76 -0.26 4.02 1.01 0.72 -0.35 120.40 133.64 1xpn s VAL 67 Ca 0.36 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1xpn s VAL 67 Cb -0.12 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1xpn s VAL 67 CO 0.18 -0.15 0.21 0.00 0.00 0.00 0.00 175.10 175.34 1xpn s ALA 68 N 1.61 3.56 -0.24 5.51 0.00 0.60 -0.84 121.76 131.95 1xpn s ALA 68 Ca 0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1xpn s ALA 68 Cb -0.18 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1xpn s ALA 68 CO 0.07 -0.42 -0.09 -1.17 0.00 0.00 0.00 175.76 174.15 1xpn s LEU 69 N 1.53 3.12 0.03 0.00 2.96 -0.51 -1.23 118.68 124.58 1xpn s LEU 69 Ca 0.09 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 52.98 1xpn s LEU 69 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1xpn s LEU 69 CO 0.08 -0.13 0.04 -1.83 -1.32 0.00 0.00 176.35 173.20 1xpn s GLU 70 N 1.26 0.51 0.32 1.98 -1.05 -1.03 -1.23 118.70 119.46 1xpn s GLU 70 Ca -0.01 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 1xpn s GLU 70 Cb -0.17 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 33.61 1xpn s GLU 70 CO -0.06 -0.11 1.24 -1.25 0.95 0.00 0.00 175.26 176.03 1xpn s PRO 71 N -2.44 4.44 -1.03 -4.83 0.04 -1.26 -0.33 135.00 129.59 1xpn s PRO 71 Ca -0.07 2.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 1xpn s PRO 71 Cb -0.02 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1xpn s PRO 71 CO -0.04 -0.06 1.44 0.00 0.04 0.00 0.00 177.00 178.38 1xpn s ALA 72 N -1.15 2.78 0.40 8.56 0.00 0.80 -4.77 121.76 128.37 1xpn s ALA 72 Ca 0.48 -2.33 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1xpn s ALA 72 Cb -0.37 -4.51 -0.02 0.00 0.00 0.00 0.00 23.12 18.23 1xpn s ALA 72 CO 0.49 -3.56 0.61 0.95 0.00 0.00 0.00 175.76 174.24 1xpn s THR 73 N 4.80 4.43 0.59 0.00 -4.23 -1.26 -4.88 115.64 115.08 1xpn s THR 73 Ca 0.46 -0.52 0.35 0.00 -1.18 0.00 0.00 61.69 60.79 1xpn s THR 73 Cb -0.00 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.60 1xpn s THR 73 CO -0.09 -0.41 2.27 0.28 -0.54 0.00 0.00 174.62 176.14 1xpn h SER 74 N 0.57 0.00 1.23 3.99 0.02 -1.97 -0.59 113.55 116.80 1xpn h SER 74 Ca -0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xpn h SER 74 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xpn h SER 74 CO 0.58 0.01 -0.01 0.22 -1.14 0.00 0.00 176.83 176.50 1xpn h TYR 75 N 0.00 0.00 -0.34 3.45 3.20 -1.93 -2.83 116.97 118.52 1xpn h TYR 75 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xpn h TYR 75 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1xpn h TYR 75 CO 0.00 0.01 0.00 -1.33 -1.64 0.00 0.00 178.16 175.20 1xpn n MET 76 N -3.10 2.06 0.27 1.82 2.81 -0.23 -4.49 117.12 116.26 1xpn n MET 76 Ca 0.01 -1.61 -0.17 0.00 -1.81 0.00 0.00 57.70 54.12 1xpn n MET 76 Cb 0.36 -1.41 -0.09 0.00 -0.71 0.00 0.00 33.22 31.37 1xpn n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xpn h LYS 77 N 2.97 -0.87 0.00 0.03 3.11 -1.60 -1.35 116.57 118.86 1xpn h LYS 77 Ca 0.00 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1xpn h LYS 77 Cb 0.66 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1xpn h LYS 77 CO 0.00 -0.58 -0.12 0.00 -2.81 0.00 0.00 179.45 175.95 1xpn h ALA 78 N -0.61 0.93 -0.20 5.00 0.00 -1.84 -2.58 119.26 119.96 1xpn h ALA 78 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xpn h ALA 78 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xpn h ALA 78 CO -0.05 0.00 -0.13 -0.92 0.00 0.00 0.00 179.25 178.15 1xpn h TYR 79 N 0.00 0.52 -0.10 0.00 5.03 -1.73 -0.83 116.97 119.86 1xpn h TYR 79 Ca 0.00 -0.14 -0.16 0.00 2.58 0.00 0.00 58.73 61.02 1xpn h TYR 79 Cb 0.85 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1xpn h TYR 79 CO 0.00 0.75 -0.61 -0.92 -1.32 0.00 0.00 178.16 176.06 1xpn h TYR 80 N 0.13 0.46 -0.47 -3.82 3.20 -1.27 -2.54 116.97 112.66 1xpn h TYR 80 Ca 0.04 -0.18 -0.08 0.00 3.14 0.00 0.00 58.73 61.65 1xpn h TYR 80 Cb 0.63 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1xpn h TYR 80 CO 0.07 0.88 -0.04 0.00 -1.64 0.00 0.00 178.16 177.42 1xpn h ALA 81 N 1.08 1.05 0.00 1.82 0.00 -1.32 -2.76 119.26 119.14 1xpn h ALA 81 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1xpn h ALA 81 Cb 1.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1xpn h ALA 81 CO 0.10 0.59 -0.93 0.87 0.00 0.00 0.00 179.25 179.88 1xpn h LYS 82 N 0.74 0.00 0.00 0.00 1.57 -1.16 -3.46 116.57 114.26 1xpn h LYS 82 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xpn h LYS 82 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xpn h LYS 82 CO 0.03 0.38 0.00 1.19 -0.57 0.00 0.00 179.45 180.48 1xpn n PHE 83 N -3.05 0.00 0.00 -1.35 3.72 -0.96 -5.06 117.46 110.76 1xpn n PHE 83 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1xpn n PHE 83 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xpn n GLY 84 N 3.26 3.67 3.55 1.37 0.00 -1.05 -4.40 105.19 111.60 1xpn n GLY 84 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1xpn n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s ASN 85 N -4.00 6.35 -0.04 1.61 2.20 -1.25 -4.44 114.94 115.36 1xpn s ASN 85 Ca 0.00 -0.03 -0.02 0.00 -0.94 0.00 0.00 52.86 51.87 1xpn s ASN 85 Cb 0.00 -2.29 0.03 0.00 -2.00 0.00 0.00 41.25 36.99 1xpn s ASN 85 CO 0.00 -0.55 0.10 -0.22 -2.94 0.00 0.00 177.10 173.48 1xpn s LEU 86 N 2.53 1.09 0.91 3.54 2.96 0.85 -4.95 118.68 125.60 1xpn s LEU 86 Ca 0.21 0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 1xpn s LEU 86 Cb -0.15 0.22 0.16 0.00 0.50 0.00 0.00 46.19 46.92 1xpn s LEU 86 CO 0.14 -0.11 1.27 1.51 -1.32 0.00 0.00 176.35 177.84 1xpn s ASP 87 N 0.83 3.57 0.00 3.68 1.47 -1.26 -0.86 116.67 124.11 1xpn s ASP 87 Ca -0.07 0.45 0.21 0.00 1.18 0.00 0.00 52.55 54.32 1xpn s ASP 87 Cb -0.09 -0.66 0.68 0.00 -0.34 0.00 0.00 42.92 42.52 1xpn s ASP 87 CO -0.03 -2.46 1.51 0.00 0.68 0.00 0.00 175.17 174.86 1xpn n ALA 88 N -3.62 2.50 -0.04 2.11 0.00 0.53 -2.90 120.51 119.10 1xpn n ALA 88 Ca 0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1xpn n ALA 88 Cb 0.60 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1xpn n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn n ALA 89 N 0.48 0.97 -0.89 0.00 0.00 -1.26 -3.98 120.51 115.84 1xpn n ALA 89 Ca 0.16 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.89 1xpn n ALA 89 Cb 0.36 -0.54 0.31 0.00 0.00 0.00 0.00 19.45 19.58 1xpn n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xpn n LYS 90 N -3.60 3.83 -1.90 0.00 2.85 -1.25 -4.92 118.16 113.17 1xpn n LYS 90 Ca -0.35 -2.92 -0.41 0.00 -1.05 0.00 0.00 58.31 53.59 1xpn n LYS 90 Cb 0.98 -2.19 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xpn s ARG 91 N -2.81 2.95 -0.28 -1.58 6.06 -1.14 -4.92 118.95 117.23 1xpn s ARG 91 Ca 0.52 1.30 -0.19 0.00 -2.50 0.00 0.00 55.73 54.86 1xpn s ARG 91 Cb 0.41 -4.32 -0.02 0.00 0.06 0.00 0.00 34.95 31.08 1xpn s ARG 91 CO 0.13 -2.31 0.57 0.34 -2.50 0.00 0.00 175.30 171.53 1xpn s ASP 92 N 7.75 6.48 0.00 -2.12 -1.08 -1.26 -4.94 116.67 121.50 1xpn s ASP 92 Ca 0.82 0.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.59 1xpn s ASP 92 Cb -0.21 -2.31 1.44 0.00 -1.46 0.00 0.00 42.92 40.39 1xpn s ASP 92 CO 0.29 -0.37 1.87 -0.81 0.52 0.00 0.00 175.17 176.68 1xpn n PRO 93 N 5.68 0.91 -0.11 4.34 -0.04 -1.26 -3.35 135.00 141.18 1xpn n PRO 93 Ca -0.02 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 1xpn n PRO 93 Cb 0.49 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 1xpn n PRO 93 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xpn n ASP 94 N -0.91 2.12 -4.55 3.54 8.00 -1.26 -4.83 116.55 118.65 1xpn n ASP 94 Ca 0.18 -0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.19 1xpn n ASP 94 Cb 0.08 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xpn s VAL 95 N -2.44 3.48 -0.11 2.53 1.01 -1.21 -4.97 120.40 118.69 1xpn s VAL 95 Ca -0.28 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1xpn s VAL 95 Cb 0.07 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xpn s VAL 95 CO 0.53 -1.22 0.07 0.00 0.00 0.00 0.00 175.10 174.49 1xpn s GLN 96 N 6.60 3.24 0.26 2.72 -2.07 -1.26 -4.87 119.66 124.27 1xpn s GLN 96 Ca 0.57 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 53.55 1xpn s GLN 96 Cb -0.11 -3.00 -0.10 0.00 -1.09 0.00 0.00 33.01 28.72 1xpn s GLN 96 CO 0.17 0.73 1.34 -2.14 -1.32 0.00 0.00 175.29 174.07 1xpn s PRO 97 N -0.92 4.35 0.40 9.60 0.02 -1.26 -5.00 135.00 142.18 1xpn s PRO 97 Ca 0.14 2.18 -0.25 0.00 0.02 0.00 0.00 61.00 63.09 1xpn s PRO 97 Cb -0.12 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.19 1xpn s PRO 97 CO 0.03 -0.27 1.13 -2.14 -0.33 0.00 0.00 177.00 175.42 1xpn s PRO 98 N -0.76 4.09 -0.55 5.54 0.02 -1.26 -4.99 135.00 137.09 1xpn s PRO 98 Ca 0.55 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 63.10 1xpn s PRO 98 Cb -0.39 -2.65 0.05 0.00 0.02 0.00 0.00 34.50 31.54 1xpn s PRO 98 CO 0.44 -0.27 0.80 0.08 -0.33 0.00 0.00 177.00 177.73 1xpn s VAL 99 N -1.47 4.60 0.00 3.83 1.01 -1.26 -5.03 120.40 122.08 1xpn s VAL 99 Ca 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1xpn s VAL 99 Cb -0.28 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1xpn s VAL 99 CO 0.36 -1.02 0.00 0.18 0.00 0.00 0.00 175.10 174.61 1xpn n LEU 100 N 6.91 0.00 -4.76 3.92 4.77 -1.26 -4.99 117.00 121.58 1xpn n LEU 100 Ca -0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 1xpn n LEU 100 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1xpn n LEU 100 CO 0.59 -0.25 1.21 -0.62 -1.33 0.00 0.00 177.39 177.00 1xpn s ASP 101 N -1.00 6.33 0.13 -1.43 2.15 -1.26 -4.87 116.67 116.72 1xpn s ASP 101 Ca 0.00 3.02 0.08 0.00 0.43 0.00 0.00 52.55 56.08 1xpn s ASP 101 Cb 0.00 -2.65 0.45 0.00 -0.30 0.00 0.00 42.92 40.42 1xpn s ASP 101 CO 0.00 -0.92 1.25 -0.81 -0.17 0.00 0.00 175.17 174.52 1xpn n PRO 102 N 1.43 0.05 0.28 4.34 -0.04 -1.26 -2.09 135.00 137.71 1xpn n PRO 102 Ca 0.05 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1xpn n PRO 102 Cb 0.38 -1.68 0.78 0.00 -0.04 0.00 0.00 33.50 32.93 1xpn n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpn h ARG 103 N 0.00 0.00 -0.99 0.54 -0.00 -2.01 -1.26 114.38 110.67 1xpn h ARG 103 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.55 1xpn h ARG 103 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.92 1xpn h ARG 103 CO 0.00 0.03 0.64 0.00 0.00 0.00 0.00 179.97 180.64 1xpn h ARG 104 N 0.00 1.12 0.00 0.04 3.08 -1.79 -1.41 114.38 115.41 1xpn h ARG 104 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xpn h ARG 104 Cb 0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1xpn h ARG 104 CO 0.00 0.74 -0.02 0.00 -1.07 0.00 0.00 179.97 179.62 1xpn h ALA 105 N 1.47 1.34 0.08 0.04 0.00 -1.46 0.43 119.26 121.15 1xpn h ALA 105 Ca 0.43 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.00 1xpn h ALA 105 Cb 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xpn h ALA 105 CO -0.17 0.03 -1.68 1.15 0.00 0.00 0.00 179.25 178.58 1xpn h THR 106 N 0.00 0.94 0.00 0.00 2.02 -1.37 -3.38 112.91 111.12 1xpn h THR 106 Ca -0.00 -2.68 -0.28 0.00 0.77 0.00 0.00 66.41 64.22 1xpn h THR 106 Cb 0.08 2.59 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 1xpn h THR 106 CO 0.00 0.74 -1.60 1.88 0.37 0.00 0.00 175.52 176.91 1xpn h TYR 107 N 0.04 0.00 -2.14 3.16 0.05 -0.72 -3.44 116.97 113.93 1xpn h TYR 107 Ca -0.29 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.97 1xpn h TYR 107 Cb 2.01 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.72 1xpn h TYR 107 CO 0.04 0.99 1.36 0.08 -1.05 0.00 0.00 178.16 179.58 1xpn s VAL 108 N -2.62 3.36 -0.23 -2.88 1.01 0.14 -4.62 120.40 114.56 1xpn s VAL 108 Ca -0.04 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1xpn s VAL 108 Cb 0.08 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1xpn s VAL 108 CO 0.82 -0.68 1.15 -0.13 0.00 0.00 0.00 175.10 176.26 1xpn s ARG 109 N 6.78 4.18 -0.32 2.72 0.52 -0.36 -4.85 118.95 127.62 1xpn s ARG 109 Ca 0.74 1.40 -0.11 0.00 -0.52 0.00 0.00 55.73 57.23 1xpn s ARG 109 Cb -0.16 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 1xpn s ARG 109 CO 0.25 -0.75 0.19 -1.21 0.02 0.00 0.00 175.30 173.80 1xpn s GLU 110 N 3.48 3.50 -0.11 3.54 2.02 -1.26 -1.42 118.70 128.45 1xpn s GLU 110 Ca 0.49 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1xpn s GLU 110 Cb -0.17 -3.68 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 1xpn s GLU 110 CO 0.12 -0.39 -0.12 0.00 0.02 0.00 0.00 175.26 174.90 1xpn s ALA 111 N 1.68 2.70 -0.39 5.21 0.00 -0.02 -4.94 121.76 126.00 1xpn s ALA 111 Ca 0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1xpn s ALA 111 Cb -0.17 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1xpn s ALA 111 CO 0.09 0.33 0.44 0.99 0.00 0.00 0.00 175.76 177.61 1xpn s THR 112 N 0.05 5.08 0.61 0.00 2.01 -1.26 -0.20 115.64 121.93 1xpn s THR 112 Ca -0.04 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.66 1xpn s THR 112 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1xpn s THR 112 CO 0.04 -0.32 0.98 0.35 -0.69 0.00 0.00 174.62 174.98 1xpn n THR 113 N 5.42 3.80 -0.75 -0.82 -2.24 -0.85 -4.92 114.28 113.92 1xpn n THR 113 Ca -0.07 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1xpn n THR 113 Cb 0.48 -1.17 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1xpn n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xpn n ASP 114 N -0.86 -0.56 0.22 3.42 8.00 -0.21 -4.27 116.55 122.29 1xpn n ASP 114 Ca 0.14 -0.75 0.15 0.00 0.71 0.00 0.00 54.79 55.05 1xpn n ASP 114 Cb 0.47 -0.03 0.61 0.00 -0.02 0.00 0.00 41.12 42.15 1xpn n ASP 114 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1xpn h GLN 115 N 0.00 0.00 -0.04 -1.24 3.07 -1.89 -2.01 115.11 113.00 1xpn h GLN 115 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1xpn h GLN 115 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1xpn h GLN 115 CO 0.01 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.02 1xpn n ASN 116 N -2.78 1.53 -1.47 0.06 4.13 -1.26 -4.85 115.26 110.61 1xpn n ASN 116 Ca 0.01 -1.54 -0.12 0.00 1.68 0.00 0.00 54.58 54.61 1xpn n ASN 116 Cb 0.28 -0.02 -0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 117 N 1.17 -0.11 3.55 7.41 0.00 -0.75 -4.73 105.19 111.72 1xpn n GLY 117 Ca 0.18 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1xpn n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpn s ARG 118 N -4.72 2.09 0.03 1.61 3.52 -1.26 -0.01 118.95 120.21 1xpn s ARG 118 Ca 0.03 -1.03 0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1xpn s ARG 118 Cb -0.01 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1xpn s ARG 118 CO 0.04 0.51 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.40 1xpn s PHE 119 N -1.15 0.47 -0.02 5.12 -0.71 0.47 -1.05 117.98 121.11 1xpn s PHE 119 Ca 0.20 -0.52 0.01 0.00 -1.04 0.00 0.00 56.93 55.58 1xpn s PHE 119 Cb -0.11 -0.30 0.01 0.00 -1.21 0.00 0.00 43.02 41.41 1xpn s PHE 119 CO 0.11 -0.14 -0.04 0.34 -1.34 0.00 0.00 175.22 174.16 1xpn s ASP 120 N -1.53 0.68 0.03 1.98 2.15 -1.26 -0.63 116.67 118.09 1xpn s ASP 120 Ca -0.13 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.79 1xpn s ASP 120 Cb -0.10 -0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.26 1xpn s ASP 120 CO -0.00 -0.02 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.53 1xpn s PHE 121 N 0.52 0.74 0.17 -5.34 0.08 -0.40 -5.04 117.98 108.71 1xpn s PHE 121 Ca -0.06 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1xpn s PHE 121 Cb -0.09 -0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 1xpn s PHE 121 CO -0.00 -0.04 -0.01 0.34 -0.10 0.00 0.00 175.22 175.40 1xpn s ASP 122 N -1.25 1.29 -0.42 1.36 2.15 -1.26 -0.94 116.67 117.60 1xpn s ASP 122 Ca -0.06 -1.15 -0.21 0.00 0.43 0.00 0.00 52.55 51.56 1xpn s ASP 122 Cb -0.08 0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.67 1xpn s ASP 122 CO 0.01 -0.54 0.57 1.41 -0.17 0.00 0.00 175.17 176.45 1xpn n HIS 123 N -0.24 -3.22 -4.54 -5.34 8.25 -1.23 -4.92 115.22 103.98 1xpn n HIS 123 Ca -0.07 1.32 -0.24 0.00 -0.26 0.00 0.00 57.72 58.47 1xpn n HIS 123 Cb 0.63 -3.36 -0.17 0.00 1.12 0.00 0.00 29.99 28.21 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xpn s ILE 124 N -2.20 1.07 0.57 1.59 1.01 0.36 -4.83 121.20 118.77 1xpn s ILE 124 Ca 0.27 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1xpn s ILE 124 Cb -0.06 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1xpn s ILE 124 CO 0.78 0.34 1.34 -2.65 0.00 0.00 0.00 174.94 174.75 1xpn n PRO 125 N 3.82 1.55 -3.20 2.79 -0.02 -1.24 -3.48 135.00 135.23 1xpn n PRO 125 Ca -0.23 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 1xpn n PRO 125 Cb 0.52 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 1xpn n PRO 125 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1xpn s ASN 126 N -1.02 6.81 0.00 2.55 0.02 -1.26 -4.92 114.94 117.12 1xpn s ASN 126 Ca 0.74 0.97 0.00 0.00 -1.02 0.00 0.00 52.86 53.55 1xpn s ASN 126 Cb -0.41 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.52 1xpn s ASN 126 CO 0.47 -0.05 0.00 0.61 0.02 0.00 0.00 177.10 178.15 1xpn n GLY 127 N 3.21 -1.27 3.69 0.66 0.00 -0.28 -4.98 105.19 106.22 1xpn n GLY 127 Ca -0.05 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 128 N -3.00 5.07 0.11 2.61 2.01 -1.26 -0.43 115.64 120.76 1xpn s THR 128 Ca 0.00 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.24 1xpn s THR 128 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1xpn s THR 128 CO 0.00 0.20 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.67 1xpn s TYR 129 N 1.31 1.40 -0.25 4.92 1.51 0.13 -0.14 117.35 126.22 1xpn s TYR 129 Ca 0.30 -0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1xpn s TYR 129 Cb -0.16 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1xpn s TYR 129 CO 0.12 0.13 0.10 0.71 -1.11 0.00 0.00 175.55 175.51 1xpn s TYR 130 N -1.85 3.14 -0.42 2.71 2.02 0.55 -1.86 117.35 121.64 1xpn s TYR 130 Ca 0.06 -0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 1xpn s TYR 130 Cb -0.07 -2.27 0.06 0.00 -0.40 0.00 0.00 41.96 39.29 1xpn s TYR 130 CO 0.03 -0.26 0.29 0.42 -1.57 0.00 0.00 175.55 174.46 1xpn s ILE 131 N 1.56 4.68 -0.22 2.71 1.01 -0.93 -2.47 121.20 127.55 1xpn s ILE 131 Ca 0.06 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1xpn s ILE 131 Cb -0.15 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1xpn s ILE 131 CO 0.06 -0.45 -0.07 -0.44 0.00 0.00 0.00 174.94 174.04 1xpn s SER 132 N 2.09 4.13 -0.11 3.58 0.01 -0.37 -0.52 113.70 122.51 1xpn s SER 132 Ca 0.03 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 56.78 1xpn s SER 132 Cb -0.22 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1xpn s SER 132 CO 0.05 -0.04 -0.09 -0.94 0.41 0.00 0.00 173.24 172.64 1xpn s SER 133 N 1.43 4.40 -0.88 2.44 1.04 -0.40 -0.29 113.70 121.42 1xpn s SER 133 Ca 0.05 -0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.11 1xpn s SER 133 Cb -0.14 -1.45 0.13 0.00 0.10 0.00 0.00 66.02 64.65 1xpn s SER 133 CO -0.05 0.24 1.08 -1.61 0.98 0.00 0.00 173.24 173.88 1xpn s GLU 134 N -0.08 3.53 -0.35 4.02 2.02 0.53 -2.38 118.70 125.99 1xpn s GLU 134 Ca -0.00 -1.69 0.02 0.00 0.02 0.00 0.00 54.97 53.32 1xpn s GLU 134 Cb -0.13 -4.80 0.11 0.00 0.10 0.00 0.00 34.13 29.40 1xpn s GLU 134 CO 0.03 -1.74 0.11 -1.17 0.02 0.00 0.00 175.26 172.51 1xpn s LEU 135 N 2.70 3.29 -0.01 1.80 2.96 0.07 -3.63 118.68 125.87 1xpn s LEU 135 Ca 0.30 -2.02 0.03 0.00 -0.22 0.00 0.00 54.13 52.22 1xpn s LEU 135 Cb -0.07 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1xpn s LEU 135 CO -0.07 -0.37 -0.10 0.28 -1.32 0.00 0.00 176.35 174.77 1xpn s THR 136 N 1.10 0.81 0.05 3.68 -1.32 -1.26 0.20 115.64 118.90 1xpn s THR 136 Ca 0.12 -0.42 -0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1xpn s THR 136 Cb -0.19 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1xpn s THR 136 CO -0.15 0.23 -0.04 -1.66 -2.21 0.00 0.00 174.62 170.80 1xpn s TRP 137 N -0.14 0.50 -0.38 9.09 -2.14 -0.46 -4.90 118.94 120.51 1xpn s TRP 137 Ca 0.02 -0.83 -0.13 0.00 2.66 0.00 0.00 56.10 57.82 1xpn s TRP 137 Cb -0.05 -0.35 0.01 0.00 -3.10 0.00 0.00 33.47 29.99 1xpn s TRP 137 CO -0.00 -0.27 0.25 -1.54 -2.66 0.00 0.00 176.95 172.73 1xpn s SER 138 N -2.37 5.94 -0.03 -2.66 1.04 -1.26 -0.66 113.70 113.71 1xpn s SER 138 Ca -0.01 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1xpn s SER 138 Cb 0.01 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1xpn s SER 138 CO -0.06 -0.37 -0.12 0.00 0.98 0.00 0.00 173.24 173.67 1xpn s ALA 139 N 1.64 2.80 -0.48 5.32 0.00 0.72 -4.91 121.76 126.85 1xpn s ALA 139 Ca 0.04 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1xpn s ALA 139 Cb -0.19 -1.02 0.10 0.00 0.00 0.00 0.00 23.12 22.01 1xpn s ALA 139 CO 0.09 0.58 0.39 -0.65 0.00 0.00 0.00 175.76 176.17 1xpn s GLN 140 N -1.01 2.81 -1.13 0.00 -0.21 -1.26 -0.18 119.66 118.69 1xpn s GLN 140 Ca 0.13 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 53.73 1xpn s GLN 140 Cb -0.11 -4.08 0.05 0.00 1.00 0.00 0.00 33.01 29.88 1xpn s GLN 140 CO 0.03 -1.14 1.58 0.45 -2.12 0.00 0.00 175.29 174.08 1xpn s SER 141 N 2.84 6.58 -1.27 5.90 0.15 0.16 -4.26 113.70 123.79 1xpn s SER 141 Ca 0.04 -1.82 -0.09 0.00 0.70 0.00 0.00 55.95 54.77 1xpn s SER 141 Cb -0.26 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1xpn s SER 141 CO 0.03 -1.42 0.62 -0.67 1.20 0.00 0.00 173.24 173.00 1xpn n ASP 142 N 8.87 -2.62 0.00 5.45 2.03 -1.26 -1.90 116.55 127.13 1xpn n ASP 142 Ca 0.39 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1xpn n ASP 142 Cb 0.49 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.58 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpn n GLY 143 N -1.80 1.47 3.39 0.27 0.00 -1.26 -5.02 105.19 102.24 1xpn n GLY 143 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1xpn n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s LYS 144 N -0.96 2.91 -0.47 1.61 1.02 -0.80 -5.04 119.74 118.01 1xpn s LYS 144 Ca 0.00 -1.23 -0.27 0.00 0.02 0.00 0.00 55.97 54.49 1xpn s LYS 144 Cb 0.00 -4.00 0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1xpn s LYS 144 CO 0.00 -0.90 1.00 0.99 -0.92 0.00 0.00 175.35 175.52 1xpn s THR 145 N 1.62 4.38 0.35 2.17 2.01 -1.26 0.35 115.64 125.25 1xpn s THR 145 Ca 0.04 0.88 0.09 0.00 0.31 0.00 0.00 61.69 63.00 1xpn s THR 145 Cb -0.22 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 1xpn s THR 145 CO 0.07 -0.91 0.06 0.27 -0.69 0.00 0.00 174.62 173.42 1xpn s ILE 146 N 4.01 2.71 -0.37 1.82 -4.36 0.75 -4.93 121.20 120.83 1xpn s ILE 146 Ca 0.40 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1xpn s ILE 146 Cb -0.09 -2.87 0.10 0.00 1.25 0.00 0.00 42.46 40.85 1xpn s ILE 146 CO 0.28 -0.18 0.13 -0.89 0.24 0.00 0.00 174.94 174.52 1xpn s THR 147 N -2.50 2.94 0.69 8.37 2.01 -1.26 -0.20 115.64 125.68 1xpn s THR 147 Ca 0.36 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 60.32 1xpn s THR 147 Cb -0.00 -3.00 0.11 0.00 0.01 0.00 0.00 72.50 69.61 1xpn s THR 147 CO 0.21 -0.58 0.95 -1.61 -0.69 0.00 0.00 174.62 172.90 1xpn s GLU 148 N 1.09 1.85 2.89 4.92 2.02 0.17 -3.99 118.70 127.64 1xpn s GLU 148 Ca 0.07 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1xpn s GLU 148 Cb -0.21 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1xpn s GLU 148 CO -0.05 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.34 1xpn n GLY 149 N -2.72 -0.47 0.00 -1.39 0.00 -1.26 -1.36 105.19 97.98 1xpn n GLY 149 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1xpn n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 150 N 0.00 0.59 3.12 -0.02 0.00 0.13 -0.34 105.19 108.66 1xpn n GLY 150 Ca 0.00 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1xpn n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 151 N 0.00 2.81 -0.11 2.61 -4.23 -0.04 -0.75 115.64 115.93 1xpn s THR 151 Ca 0.00 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1xpn s THR 151 Cb 0.00 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1xpn s THR 151 CO 0.00 -0.33 -0.01 0.54 -0.54 0.00 0.00 174.62 174.28 1xpn s VAL 152 N 1.14 4.15 -0.14 2.29 0.11 -1.00 -0.10 120.40 126.85 1xpn s VAL 152 Ca 0.00 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1xpn s VAL 152 Cb -0.20 -2.78 -0.01 0.00 -1.53 0.00 0.00 36.38 31.86 1xpn s VAL 152 CO -0.04 0.56 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.25 1xpn s THR 153 N -0.37 2.77 -0.19 5.04 2.01 -1.26 -1.28 115.64 122.36 1xpn s THR 153 Ca 0.07 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1xpn s THR 153 Cb -0.12 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1xpn s THR 153 CO 0.02 0.52 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.70 1xpn s LYS 154 N 0.55 3.58 -0.46 4.92 2.47 0.33 -4.79 119.74 126.32 1xpn s LYS 154 Ca -0.10 -0.55 -0.29 0.00 -1.56 0.00 0.00 55.97 53.48 1xpn s LYS 154 Cb -0.16 -2.99 0.03 0.00 -1.46 0.00 0.00 37.83 33.25 1xpn s LYS 154 CO 0.04 0.06 1.11 -1.17 0.16 0.00 0.00 175.35 175.54 1xpn s LEU 155 N 0.86 3.71 -0.14 5.43 2.96 -1.26 -2.18 118.68 128.05 1xpn s LEU 155 Ca -0.00 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1xpn s LEU 155 Cb -0.14 -3.50 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1xpn s LEU 155 CO 0.02 -1.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 172.99 1xpn s VAL 156 N 4.30 1.76 -0.35 1.68 1.01 -0.78 -5.01 120.40 123.01 1xpn s VAL 156 Ca 0.46 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1xpn s VAL 156 Cb -0.08 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.75 1xpn s VAL 156 CO 0.30 0.49 0.12 -0.89 0.00 0.00 0.00 175.10 175.12 1xpn s THR 157 N 1.13 3.81 -0.51 3.92 2.01 -1.26 0.21 115.64 124.95 1xpn s THR 157 Ca -0.02 -1.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.58 1xpn s THR 157 Cb -0.14 -3.19 0.05 0.00 0.01 0.00 0.00 72.50 69.22 1xpn s THR 157 CO -0.06 -0.23 0.75 -0.69 -0.69 0.00 0.00 174.62 173.70 1xpn s VAL 158 N 1.40 4.69 -0.21 3.82 1.01 0.43 -4.87 120.40 126.66 1xpn s VAL 158 Ca -0.01 -0.12 0.14 0.00 0.00 0.00 0.00 61.98 61.99 1xpn s VAL 158 Cb -0.20 -4.38 0.48 0.00 0.00 0.00 0.00 36.38 32.28 1xpn s VAL 158 CO 0.03 -0.89 1.39 -1.20 0.00 0.00 0.00 175.10 174.42 1xpn n SER 159 N 6.67 3.02 -3.66 3.32 7.64 -1.26 -1.12 113.62 128.22 1xpn n SER 159 Ca -0.03 -3.35 -0.14 0.00 1.01 0.00 0.00 58.87 56.36 1xpn n SER 159 Cb 0.46 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 160 N -2.37 -0.44 0.00 0.23 0.00 -1.26 -5.01 107.32 98.47 1xpn s GLY 160 Ca 0.41 1.55 0.30 0.00 0.00 0.00 0.00 44.72 46.98 1xpn s GLY 160 CO 0.04 1.30 1.96 -1.14 0.00 0.00 0.00 173.10 175.26 1xpn n SER 161 N 2.45 0.39 -4.75 1.64 3.41 -1.26 -4.66 113.62 110.84 1xpn n SER 161 Ca -0.15 -0.69 -0.31 0.00 -0.26 0.00 0.00 58.87 57.47 1xpn n SER 161 Cb 0.56 -0.08 0.11 0.00 -0.26 0.00 0.00 64.21 64.53 1xpn n SER 161 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xpn s GLN 162 N -2.34 2.01 -0.10 4.33 -0.21 -1.26 -3.34 119.66 118.75 1xpn s GLN 162 Ca 0.34 1.25 -0.30 0.00 0.02 0.00 0.00 55.36 56.67 1xpn s GLN 162 Cb 0.21 -1.86 -0.08 0.00 1.00 0.00 0.00 33.01 32.28 1xpn s GLN 162 CO 0.44 -1.84 2.09 -0.35 -2.12 0.00 0.00 175.29 173.50 1xpn n PRO 163 N -3.65 2.37 -3.57 2.91 -0.04 -1.26 -4.11 135.00 127.65 1xpn n PRO 163 Ca 0.10 0.78 -0.37 0.00 -0.04 0.00 0.00 63.50 63.97 1xpn n PRO 163 Cb 0.53 -3.07 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 1xpn n PRO 163 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xpn s GLN 164 N 5.35 3.97 -0.43 0.54 -1.52 0.14 -4.98 119.66 122.73 1xpn s GLN 164 Ca 0.95 0.22 -0.07 0.00 -1.95 0.00 0.00 55.36 54.51 1xpn s GLN 164 Cb -0.42 -3.29 0.10 0.00 -0.22 0.00 0.00 33.01 29.17 1xpn s GLN 164 CO 0.40 0.53 0.26 0.21 -0.25 0.00 0.00 175.29 176.43 1xpn s LYS 165 N -0.47 2.38 -0.31 2.91 2.47 -1.26 -0.36 119.74 125.11 1xpn s LYS 165 Ca 0.20 -1.65 -0.04 0.00 -1.56 0.00 0.00 55.97 52.92 1xpn s LYS 165 Cb -0.15 -3.73 0.04 0.00 -1.46 0.00 0.00 37.83 32.53 1xpn s LYS 165 CO 0.09 -1.04 0.05 0.08 0.16 0.00 0.00 175.35 174.68 1xpn s VAL 166 N 1.31 3.45 -0.53 4.02 1.01 0.18 -5.01 120.40 124.84 1xpn s VAL 166 Ca 0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 1xpn s VAL 166 Cb -0.24 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1xpn s VAL 166 CO -0.01 -0.06 0.99 -0.76 0.00 0.00 0.00 175.10 175.26 1xpn s LEU 167 N 1.36 3.94 -0.31 3.92 2.01 -1.26 -0.69 118.68 127.65 1xpn s LEU 167 Ca -0.02 -0.10 -0.29 0.00 0.01 0.00 0.00 54.13 53.73 1xpn s LEU 167 Cb -0.19 -3.02 0.02 0.00 0.01 0.00 0.00 46.19 43.01 1xpn s LEU 167 CO 0.01 -1.22 1.06 -0.22 1.01 0.00 0.00 176.35 176.98 1xpn s LEU 168 N 4.09 3.95 0.00 1.79 2.96 0.91 -4.90 118.68 127.48 1xpn s LEU 168 Ca 0.35 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 1xpn s LEU 168 Cb -0.11 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1xpn s LEU 168 CO 0.23 -0.86 0.17 1.07 -1.32 0.00 0.00 176.35 175.65 1xpn n THR 169 N 5.82 0.00 0.95 3.68 5.66 -1.26 -1.51 114.28 127.62 1xpn n THR 169 Ca 0.12 -0.02 0.08 0.00 -3.05 0.00 0.00 64.05 61.18 1xpn n THR 169 Cb 0.47 0.07 0.45 0.00 -1.55 0.00 0.00 70.33 69.78 1xpn n THR 169 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88