#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn h SER 2 N 0.00 0.35 -3.55 1.61 0.02 -2.02 -3.44 113.55 106.52 1xpn h SER 2 Ca 0.00 -0.85 -0.59 0.00 -0.84 0.00 0.00 61.79 59.51 1xpn h SER 2 Cb 0.00 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.34 1xpn h SER 2 CO 0.00 1.75 0.68 -0.94 -1.14 0.00 0.00 176.83 177.18 1xpn s SER 3 N -7.03 6.66 0.00 3.07 1.04 -1.26 -4.88 113.70 111.29 1xpn s SER 3 Ca -0.23 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1xpn s SER 3 Cb 0.06 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1xpn s SER 3 CO 0.74 -0.98 0.00 1.41 0.98 0.00 0.00 173.24 175.40 1xpn n HIS 4 N 7.07 0.00 -3.96 5.02 8.25 -1.18 -5.01 115.22 125.40 1xpn n HIS 4 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1xpn n HIS 4 Cb 0.48 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 1xpn n HIS 4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xpn s HIS 5 N 0.79 0.21 0.00 4.41 0.09 -1.26 -4.78 115.29 114.74 1xpn s HIS 5 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 55.06 54.87 1xpn s HIS 5 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 32.58 32.44 1xpn s HIS 5 CO 0.00 -0.06 0.00 1.58 -0.00 0.00 0.00 174.74 176.26 1xpn n HIS 6 N 2.54 0.00 -3.50 1.40 -0.00 -1.26 -4.78 115.22 109.62 1xpn n HIS 6 Ca -0.16 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.62 1xpn n HIS 6 Cb 0.58 -0.09 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 1xpn n HIS 6 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1xpn n HIS 7 N -0.64 4.58 0.16 1.57 -0.00 -1.26 -4.88 115.22 114.75 1xpn n HIS 7 Ca 0.00 -4.01 0.05 0.00 -0.00 0.00 0.00 57.72 53.76 1xpn n HIS 7 Cb 0.00 -1.36 0.11 0.00 -0.00 0.00 0.00 29.99 28.75 1xpn n HIS 7 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1xpn h HIS 8 N 6.19 0.00 -3.26 4.41 -0.00 -1.89 -3.12 115.15 117.48 1xpn h HIS 8 Ca 0.17 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 60.05 1xpn h HIS 8 Cb 0.82 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 27.85 1xpn h HIS 8 CO 0.74 0.40 -0.77 -1.01 -0.00 0.00 0.00 177.93 177.29 1xpn s HIS 9 N -3.11 1.00 0.24 6.12 4.02 -1.26 -4.88 115.29 117.43 1xpn s HIS 9 Ca 0.04 -0.58 0.10 0.00 1.02 0.00 0.00 55.06 55.64 1xpn s HIS 9 Cb 0.08 -0.99 0.25 0.00 -1.02 0.00 0.00 32.58 30.90 1xpn s HIS 9 CO 0.72 -0.48 1.55 0.66 1.02 0.00 0.00 174.74 178.21 1xpn h SER 10 N 8.26 0.00 -2.87 1.40 4.64 -1.90 -3.40 113.55 119.69 1xpn h SER 10 Ca -0.20 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.51 1xpn h SER 10 Cb 1.12 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 1xpn h SER 10 CO 0.32 0.69 0.59 -0.44 -0.87 0.00 0.00 176.83 177.12 1xpn s SER 11 N -6.82 6.24 0.00 4.97 0.01 -1.26 -5.01 113.70 111.83 1xpn s SER 11 Ca -0.01 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 56.64 1xpn s SER 11 Cb 0.12 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1xpn s SER 11 CO 0.77 -1.38 -0.18 -0.83 0.41 0.00 0.00 173.24 172.03 1xpn s GLY 12 N 3.32 0.93 0.00 3.44 0.00 -1.26 -5.09 107.32 108.66 1xpn s GLY 12 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1xpn s GLY 12 CO 0.14 -0.73 0.00 1.04 0.00 0.00 0.00 173.10 173.56 1xpn n LEU 13 N 2.43 2.29 -3.44 0.66 4.32 -1.26 -4.90 117.00 117.10 1xpn n LEU 13 Ca -0.15 0.12 -0.27 0.00 -0.02 0.00 0.00 56.01 55.69 1xpn n LEU 13 Cb 0.54 -0.12 -0.11 0.00 -1.62 0.00 0.00 43.42 42.11 1xpn n LEU 13 CO 0.24 -0.12 -0.29 0.68 -1.22 0.00 0.00 177.39 176.68 1xpn s VAL 14 N -0.24 0.03 -1.40 4.08 -7.23 -1.26 -4.96 120.40 109.43 1xpn s VAL 14 Ca 0.00 -1.54 0.28 0.00 -1.81 0.00 0.00 61.98 58.91 1xpn s VAL 14 Cb 0.00 -1.02 0.29 0.00 0.56 0.00 0.00 36.38 36.21 1xpn s VAL 14 CO 0.00 -0.90 1.73 -0.81 -0.31 0.00 0.00 175.10 174.81 1xpn n PRO 15 N 4.11 0.43 0.03 4.82 -0.04 -1.26 -3.79 135.00 139.30 1xpn n PRO 15 Ca 0.11 -0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1xpn n PRO 15 Cb 0.39 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1xpn n PRO 15 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xpn n ARG 16 N -1.13 0.54 -1.17 0.54 5.12 -1.26 -5.06 116.66 114.25 1xpn n ARG 16 Ca 0.11 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1xpn n ARG 16 Cb 0.31 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1xpn n ARG 16 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xpn n GLY 17 N 1.27 -2.67 0.19 -0.13 0.00 -1.25 -4.93 105.19 97.68 1xpn n GLY 17 Ca -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.55 1xpn n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xpn h SER 18 N 0.00 0.00 -4.23 1.61 0.02 -1.97 -3.44 113.55 105.54 1xpn h SER 18 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1xpn h SER 18 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 1xpn h SER 18 CO 0.00 0.37 -0.78 -2.28 -1.14 0.00 0.00 176.83 173.00 1xpn s HIS 19 N -3.71 0.94 0.42 3.45 2.46 -1.26 -5.12 115.29 112.47 1xpn s HIS 19 Ca -0.01 -0.27 -0.25 0.00 0.47 0.00 0.00 55.06 55.01 1xpn s HIS 19 Cb 0.12 -0.58 -0.10 0.00 -0.13 0.00 0.00 32.58 31.89 1xpn s HIS 19 CO 0.69 -0.01 1.20 -1.33 -2.47 0.00 0.00 174.74 172.82 1xpn n MET 20 N 2.36 1.76 0.01 2.88 0.00 -1.26 -4.88 117.12 117.98 1xpn n MET 20 Ca -0.16 0.63 0.00 0.00 0.00 0.00 0.00 57.70 58.17 1xpn n MET 20 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.49 1xpn n MET 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xpn n ALA 21 N -0.29 2.09 -2.41 3.04 0.00 -1.26 -5.03 120.51 116.65 1xpn n ALA 21 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 1xpn n ALA 21 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xpn s SER 22 N -4.09 5.99 -0.26 0.00 1.04 -1.26 -4.91 113.70 110.21 1xpn s SER 22 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1xpn s SER 22 Cb 0.00 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.68 1xpn s SER 22 CO 0.00 -1.94 0.27 0.21 0.98 0.00 0.00 173.24 172.76 1xpn s ASN 23 N 5.27 1.63 0.06 7.02 2.47 -1.26 -5.00 114.94 125.13 1xpn s ASN 23 Ca 0.47 -0.58 0.27 0.00 0.42 0.00 0.00 52.86 53.45 1xpn s ASN 23 Cb -0.07 0.45 1.09 0.00 -1.45 0.00 0.00 41.25 41.28 1xpn s ASN 23 CO 0.08 -0.37 1.86 -2.65 -3.72 0.00 0.00 177.10 172.30 1xpn n PRO 24 N 5.31 0.07 -2.83 0.43 -0.02 -1.26 -4.64 135.00 132.05 1xpn n PRO 24 Ca -0.03 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1xpn n PRO 24 Cb 0.47 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1xpn n PRO 24 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xpn s ASN 25 N -3.40 6.36 -0.16 2.55 3.84 -1.26 -4.75 114.94 118.12 1xpn s ASN 25 Ca 0.13 -1.37 -0.05 0.00 0.21 0.00 0.00 52.86 51.78 1xpn s ASN 25 Cb 0.17 -2.44 -0.23 0.00 -0.55 0.00 0.00 41.25 38.20 1xpn s ASN 25 CO 0.53 -1.34 0.18 0.47 -2.79 0.00 0.00 177.10 174.15 1xpn n ASP 26 N 7.53 2.08 -4.62 -4.21 8.00 -1.26 -4.85 116.55 119.22 1xpn n ASP 26 Ca 0.10 0.11 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1xpn n ASP 26 Cb 0.47 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xpn s LEU 27 N -6.92 3.76 0.32 0.64 1.43 -1.26 -4.64 118.68 112.01 1xpn s LEU 27 Ca -0.26 0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 1xpn s LEU 27 Cb 0.07 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.65 1xpn s LEU 27 CO 0.71 -1.10 0.96 -2.16 0.23 0.00 0.00 176.35 175.00 1xpn s PRO 28 N 4.12 4.57 -0.87 1.29 0.04 -1.26 -4.96 135.00 137.93 1xpn s PRO 28 Ca 0.47 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1xpn s PRO 28 Cb -0.09 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1xpn s PRO 28 CO 0.25 0.26 1.61 0.34 0.04 0.00 0.00 177.00 179.49 1xpn s ASP 29 N -1.52 5.88 -0.05 6.66 2.15 -1.26 -4.89 116.67 123.65 1xpn s ASP 29 Ca 0.50 -0.77 0.02 0.00 0.43 0.00 0.00 52.55 52.73 1xpn s ASP 29 Cb -0.21 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.86 1xpn s ASP 29 CO 0.26 -2.04 -0.10 -0.36 -0.17 0.00 0.00 175.17 172.76 1xpn s PHE 30 N 7.12 1.17 0.00 -5.34 0.08 -1.26 -5.16 117.98 114.60 1xpn s PHE 30 Ca 0.53 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1xpn s PHE 30 Cb -0.05 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 1xpn s PHE 30 CO 0.02 -0.19 0.00 -0.35 -0.10 0.00 0.00 175.22 174.60 1xpn n PRO 31 N 3.60 -0.52 -0.10 0.24 -0.04 -1.26 -4.88 135.00 132.03 1xpn n PRO 31 Ca -0.21 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1xpn n PRO 31 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.12 1.45 0.15 0.54 4.71 -1.26 -3.76 120.64 121.36 1xpn n GLU 32 Ca 0.00 -0.57 0.03 0.00 -0.01 0.00 0.00 57.16 56.61 1xpn n GLU 32 Cb 0.00 -1.24 0.08 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.87 0.00 0.00 -0.32 2.76 -2.02 -2.79 115.15 113.65 1xpn h HIS 33 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1xpn h HIS 33 Cb 0.34 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 1xpn h HIS 33 CO 0.13 0.50 -0.05 1.49 -1.30 0.00 0.00 177.93 178.70 1xpn h GLU 34 N 0.00 0.00 0.00 5.26 4.81 -1.94 -2.70 114.58 120.01 1xpn h GLU 34 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xpn h GLU 34 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1xpn h GLU 34 CO 0.06 0.05 0.00 1.88 -0.73 0.00 0.00 179.01 180.27 1xpn h TYR 35 N 0.00 0.00 0.00 0.92 0.05 -1.75 -2.82 116.97 113.37 1xpn h TYR 35 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xpn h TYR 35 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1xpn h TYR 35 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1xpn n ALA 36 N -1.94 2.54 0.22 3.88 0.00 -1.02 -3.03 120.51 121.17 1xpn n ALA 36 Ca 0.01 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1xpn n ALA 36 Cb 0.28 -1.29 0.46 0.00 0.00 0.00 0.00 19.45 18.91 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn h ALA 37 N 3.46 1.06 -2.15 0.00 0.00 -1.69 -3.44 119.26 116.51 1xpn h ALA 37 Ca 0.00 -0.23 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 1xpn h ALA 37 Cb 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.62 1xpn h ALA 37 CO 0.00 0.31 -0.73 -0.08 0.00 0.00 0.00 179.25 178.75 1xpn s THR 38 N -3.73 2.53 0.17 0.00 -1.32 -1.17 -5.06 115.64 107.05 1xpn s THR 38 Ca -0.00 -2.31 -0.04 0.00 -1.21 0.00 0.00 61.69 58.12 1xpn s THR 38 Cb 0.11 -2.43 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 1xpn s THR 38 CO 0.64 -0.35 0.30 0.00 -2.21 0.00 0.00 174.62 173.00 1xpn n GLN 39 N -0.69 0.44 0.16 7.08 10.64 -1.26 -5.02 117.38 128.73 1xpn n GLN 39 Ca -0.05 -1.11 0.10 0.00 -1.83 0.00 0.00 57.00 54.11 1xpn n GLN 39 Cb 0.61 1.24 0.08 0.00 -0.86 0.00 0.00 30.24 31.31 1xpn n GLN 39 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1xpn h GLN 40 N 0.00 0.00 -6.38 2.61 7.50 -2.00 -3.41 115.11 113.43 1xpn h GLN 40 Ca -0.14 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.47 1xpn h GLN 40 Cb 0.55 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.01 1xpn h GLN 40 CO 0.18 0.09 1.09 0.08 -1.50 0.00 0.00 178.83 178.78 1xpn s VAL 41 N -3.20 3.77 -0.07 -0.54 1.01 -1.26 -4.56 120.40 115.55 1xpn s VAL 41 Ca 0.04 0.59 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1xpn s VAL 41 Cb 0.07 -4.60 0.12 0.00 0.00 0.00 0.00 36.38 31.98 1xpn s VAL 41 CO 0.73 -1.39 1.38 -0.83 0.00 0.00 0.00 175.10 174.98 1xpn s GLY 42 N 4.28 -0.36 0.00 4.51 0.00 -1.26 -3.88 107.32 110.62 1xpn s GLY 42 Ca 0.47 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.78 1xpn s GLY 42 CO 0.22 2.81 0.85 0.61 0.00 0.00 0.00 173.10 177.59 1xpn n GLY 43 N -0.69 0.70 3.55 0.20 0.00 -0.63 -3.67 105.19 104.65 1xpn n GLY 43 Ca -0.03 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.76 0.66 -0.49 -0.02 0.00 0.57 -4.43 107.32 102.84 1xpn s GLY 44 Ca 0.03 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.04 1xpn s GLY 44 CO -0.01 3.02 1.27 0.14 0.00 0.00 0.00 173.10 177.52 1xpn s VAL 45 N 7.26 4.01 -0.26 1.40 1.01 -1.25 -4.19 120.40 128.38 1xpn s VAL 45 Ca 0.53 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.32 1xpn s VAL 45 Cb -0.07 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 1xpn s VAL 45 CO 0.07 -1.04 0.47 -0.63 0.00 0.00 0.00 175.10 173.98 1xpn s ILE 46 N 5.11 5.10 -0.40 2.22 1.01 -0.25 0.22 121.20 134.21 1xpn s ILE 46 Ca 0.51 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.82 1xpn s ILE 46 Cb -0.10 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1xpn s ILE 46 CO 0.30 0.11 0.26 0.21 0.00 0.00 0.00 174.94 175.82 1xpn s ASN 47 N 1.58 5.91 -0.16 3.58 3.84 0.14 -0.53 114.94 129.29 1xpn s ASN 47 Ca 0.19 -1.02 -0.03 0.00 0.21 0.00 0.00 52.86 52.21 1xpn s ASN 47 Cb -0.16 -2.09 -0.02 0.00 -0.55 0.00 0.00 41.25 38.43 1xpn s ASN 47 CO 0.09 -0.44 -0.05 -0.83 -2.79 0.00 0.00 177.10 173.08 1xpn s GLY 48 N 1.71 1.68 -0.30 1.21 0.00 -0.43 -0.18 107.32 111.01 1xpn s GLY 48 Ca 0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1xpn s GLY 48 CO 0.08 -0.01 0.00 -0.35 0.00 0.00 0.00 173.10 172.82 1xpn s ASP 49 N 0.53 4.87 -0.18 1.64 2.15 -0.79 -1.93 116.67 122.96 1xpn s ASP 49 Ca -0.04 -1.34 -0.11 0.00 0.43 0.00 0.00 52.55 51.49 1xpn s ASP 49 Cb -0.15 -1.70 -0.05 0.00 -0.30 0.00 0.00 42.92 40.72 1xpn s ASP 49 CO 0.03 -0.27 0.18 -0.22 -0.17 0.00 0.00 175.17 174.72 1xpn s LEU 50 N 1.23 4.23 -0.28 -1.34 2.96 -0.49 -1.09 118.68 123.90 1xpn s LEU 50 Ca -0.04 0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 54.02 1xpn s LEU 50 Cb -0.20 -2.18 0.09 0.00 0.50 0.00 0.00 46.19 44.40 1xpn s LEU 50 CO -0.02 0.17 0.77 -0.72 -1.32 0.00 0.00 176.35 175.23 1xpn s TYR 51 N 0.32 -0.90 0.04 5.38 1.13 -0.90 -4.38 117.35 118.04 1xpn s TYR 51 Ca 0.11 1.87 0.06 0.00 -1.41 0.00 0.00 57.07 57.69 1xpn s TYR 51 Cb -0.12 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 1xpn s TYR 51 CO 0.00 -0.45 -0.12 -0.51 -2.51 0.00 0.00 175.55 171.96 1xpn s LEU 52 N 1.34 2.90 -0.12 -3.49 1.43 0.91 -4.17 118.68 117.48 1xpn s LEU 52 Ca -0.08 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1xpn s LEU 52 Cb -0.05 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1xpn s LEU 52 CO -0.15 0.25 0.35 0.42 0.23 0.00 0.00 176.35 177.45 1xpn s THR 53 N -1.01 5.24 0.86 5.49 -4.23 -1.26 -0.48 115.64 120.25 1xpn s THR 53 Ca 0.17 0.69 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 1xpn s THR 53 Cb -0.11 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.25 1xpn s THR 53 CO 0.08 0.41 1.00 -1.20 -0.54 0.00 0.00 174.62 174.36 1xpn n SER 54 N 3.29 -0.65 -0.17 3.99 7.64 0.14 -4.81 113.62 123.06 1xpn n SER 54 Ca -0.11 -1.25 -0.03 0.00 1.01 0.00 0.00 58.87 58.49 1xpn n SER 54 Cb 0.52 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 62.95 1xpn n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpn h ALA 55 N -2.12 0.35 -0.19 -0.43 0.00 -1.99 0.14 119.26 115.02 1xpn h ALA 55 Ca -0.34 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xpn h ALA 55 Cb 0.97 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xpn h ALA 55 CO 0.23 -0.44 0.00 0.45 0.00 0.00 0.00 179.25 179.50 1xpn n SER 56 N -5.37 1.05 0.00 0.00 2.88 -1.26 -4.84 113.62 106.07 1xpn n SER 56 Ca 0.05 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1xpn n SER 56 Cb 0.28 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xpn n GLY 57 N 0.80 0.64 3.69 0.46 0.00 0.48 -5.01 105.19 106.25 1xpn n GLY 57 Ca 0.06 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 3.67 -0.29 4.61 0.00 -1.25 -4.57 121.76 121.92 1xpn s ALA 58 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 1xpn s ALA 58 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1xpn s ALA 58 CO 0.00 -1.00 0.57 0.42 0.00 0.00 0.00 175.76 175.75 1xpn s ILE 59 N 2.33 5.00 -0.15 0.00 1.01 -1.26 0.27 121.20 128.41 1xpn s ILE 59 Ca 0.71 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 1xpn s ILE 59 Cb -0.38 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1xpn s ILE 59 CO 0.31 -0.04 -0.08 -1.10 0.00 0.00 0.00 174.94 174.02 1xpn s GLN 60 N 2.45 3.49 0.00 2.79 -1.52 0.37 -4.94 119.66 122.29 1xpn s GLN 60 Ca 0.23 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 1xpn s GLN 60 Cb -0.15 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 29.84 1xpn s GLN 60 CO 0.11 0.15 0.26 1.63 -0.25 0.00 0.00 175.29 177.19 1xpn n LYS 61 N 3.74 0.00 0.00 2.91 4.76 -1.26 -0.07 118.16 128.24 1xpn n LYS 61 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1xpn n LYS 61 Cb 0.52 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 0.93 -0.33 3.54 0.72 0.00 -1.26 -3.63 105.19 105.16 1xpn n GLY 62 Ca 0.00 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 3.92 -0.85 2.61 -4.23 -1.26 -3.24 115.64 112.59 1xpn s THR 63 Ca 0.00 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1xpn s THR 63 Cb 0.00 -4.96 -0.01 0.00 1.34 0.00 0.00 72.50 68.87 1xpn s THR 63 CO 0.00 -1.85 0.74 0.59 -0.54 0.00 0.00 174.62 173.56 1xpn n ASN 64 N 8.85 -6.95 -4.71 3.99 4.13 -1.22 -5.00 115.26 114.34 1xpn n ASN 64 Ca 0.18 -0.40 -0.31 0.00 1.68 0.00 0.00 54.58 55.73 1xpn n ASN 64 Cb 0.50 -4.61 -0.08 0.00 -1.54 0.00 0.00 39.78 34.05 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xpn s THR 65 N -3.12 4.18 -0.42 3.41 2.01 -1.26 -4.82 115.64 115.62 1xpn s THR 65 Ca 0.13 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1xpn s THR 65 Cb -0.03 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1xpn s THR 65 CO 0.78 0.15 0.82 -0.54 -0.69 0.00 0.00 174.62 175.14 1xpn s LYS 66 N -2.24 3.56 -0.48 4.92 -0.14 -1.26 -1.40 119.74 122.70 1xpn s LYS 66 Ca 0.26 0.11 -0.17 0.00 -1.36 0.00 0.00 55.97 54.81 1xpn s LYS 66 Cb -0.12 -3.89 0.07 0.00 -1.68 0.00 0.00 37.83 32.21 1xpn s LYS 66 CO 0.18 -1.05 0.46 0.08 -0.76 0.00 0.00 175.35 174.27 1xpn s VAL 67 N 3.34 5.13 -0.24 3.17 1.01 0.97 -3.79 120.40 129.98 1xpn s VAL 67 Ca 0.32 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1xpn s VAL 67 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1xpn s VAL 67 CO 0.21 -0.64 0.29 0.00 0.00 0.00 0.00 175.10 174.96 1xpn s ALA 68 N 1.94 3.57 -0.51 5.51 0.00 0.14 0.21 121.76 132.61 1xpn s ALA 68 Ca 0.07 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1xpn s ALA 68 Cb -0.23 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.48 1xpn s ALA 68 CO 0.08 -0.41 0.41 -1.17 0.00 0.00 0.00 175.76 174.67 1xpn s LEU 69 N 1.52 5.84 0.03 0.00 2.96 0.17 -0.43 118.68 128.78 1xpn s LEU 69 Ca 0.13 -1.97 0.04 0.00 -0.22 0.00 0.00 54.13 52.10 1xpn s LEU 69 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1xpn s LEU 69 CO 0.08 -0.71 -0.05 -1.83 -1.32 0.00 0.00 176.35 172.52 1xpn s GLU 70 N 1.28 2.55 0.29 1.98 -1.05 -0.72 -2.11 118.70 120.91 1xpn s GLU 70 Ca 0.06 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.84 1xpn s GLU 70 Cb -0.26 -2.52 -0.10 0.00 -0.44 0.00 0.00 34.13 30.82 1xpn s GLU 70 CO -0.01 0.59 1.25 -2.14 0.95 0.00 0.00 175.26 175.90 1xpn s PRO 71 N -1.66 4.44 -0.79 -4.83 0.02 -1.26 0.24 135.00 131.16 1xpn s PRO 71 Ca 0.19 2.07 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 1xpn s PRO 71 Cb -0.11 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1xpn s PRO 71 CO 0.10 -0.09 1.78 0.00 -0.33 0.00 0.00 177.00 178.46 1xpn s ALA 72 N -0.84 2.10 0.41 -1.55 0.00 -0.96 -4.74 121.76 116.18 1xpn s ALA 72 Ca 0.50 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1xpn s ALA 72 Cb -0.37 -4.43 -0.06 0.00 0.00 0.00 0.00 23.12 18.26 1xpn s ALA 72 CO 0.46 -4.16 0.10 0.95 0.00 0.00 0.00 175.76 173.12 1xpn s THR 73 N 8.59 2.14 0.05 0.00 -4.23 -1.26 -4.93 115.64 116.00 1xpn s THR 73 Ca 0.62 -1.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1xpn s THR 73 Cb -0.08 -2.98 -0.23 0.00 1.34 0.00 0.00 72.50 70.55 1xpn s THR 73 CO 0.08 0.00 1.02 0.28 -0.54 0.00 0.00 174.62 175.45 1xpn h SER 74 N 1.57 0.10 -0.39 3.99 0.02 -1.96 -2.29 113.55 114.59 1xpn h SER 74 Ca -0.43 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.36 1xpn h SER 74 Cb 1.25 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1xpn h SER 74 CO 0.75 1.11 0.16 0.22 -1.14 0.00 0.00 176.83 177.93 1xpn h TYR 75 N 0.02 0.59 -0.31 3.45 3.20 -1.94 -2.82 116.97 119.15 1xpn h TYR 75 Ca -0.14 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1xpn h TYR 75 Cb 1.90 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1xpn h TYR 75 CO 0.02 0.52 0.00 -1.33 -1.64 0.00 0.00 178.16 175.72 1xpn n MET 76 N -4.66 2.01 -0.29 1.82 2.81 -1.25 -4.15 117.12 113.42 1xpn n MET 76 Ca -0.00 -1.54 -0.02 0.00 -1.81 0.00 0.00 57.70 54.32 1xpn n MET 76 Cb 0.14 -1.41 0.10 0.00 -0.71 0.00 0.00 33.22 31.33 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 2.88 0.96 0.00 0.03 3.64 -1.13 0.47 116.57 123.42 1xpn h LYS 77 Ca 0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1xpn h LYS 77 Cb 0.64 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xpn h LYS 77 CO 0.00 0.64 -0.46 0.00 -2.27 0.00 0.00 179.45 177.36 1xpn h ALA 78 N 1.33 0.92 -0.37 5.00 0.00 -1.75 0.40 119.26 124.80 1xpn h ALA 78 Ca 0.32 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1xpn h ALA 78 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xpn h ALA 78 CO -0.11 0.57 -0.15 -0.92 0.00 0.00 0.00 179.25 178.64 1xpn h TYR 79 N 0.00 0.85 -0.27 0.00 3.20 -1.53 -0.78 116.97 118.44 1xpn h TYR 79 Ca -0.00 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.59 1xpn h TYR 79 Cb 1.03 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1xpn h TYR 79 CO 0.00 0.92 -0.14 -0.92 -1.64 0.00 0.00 178.16 176.38 1xpn h TYR 80 N 0.54 0.50 0.38 -3.82 3.20 -0.67 0.79 116.97 117.89 1xpn h TYR 80 Ca 0.09 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1xpn h TYR 80 Cb 0.68 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1xpn h TYR 80 CO 0.06 0.59 -0.18 0.00 -1.64 0.00 0.00 178.16 176.99 1xpn h ALA 81 N 1.42 -0.52 -0.31 1.82 0.00 -0.58 -2.52 119.26 118.57 1xpn h ALA 81 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1xpn h ALA 81 Cb 0.50 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xpn h ALA 81 CO 0.03 -0.69 -0.05 0.87 0.00 0.00 0.00 179.25 179.41 1xpn h LYS 82 N -0.72 0.59 0.00 0.00 1.57 -1.13 -3.44 116.57 113.44 1xpn h LYS 82 Ca -0.05 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1xpn h LYS 82 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xpn h LYS 82 CO 0.09 0.76 0.00 1.19 -0.57 0.00 0.00 179.45 180.92 1xpn n PHE 83 N -4.49 0.00 0.00 -1.35 3.01 0.26 -4.93 117.46 109.96 1xpn n PHE 83 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1xpn n PHE 83 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xpn n GLY 84 N 3.94 3.12 3.54 1.37 0.00 -0.95 -3.42 105.19 112.79 1xpn n GLY 84 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 6.33 -0.27 1.61 2.20 -1.26 -4.13 114.94 115.42 1xpn s ASN 85 Ca 0.00 -1.00 0.01 0.00 -0.94 0.00 0.00 52.86 50.92 1xpn s ASN 85 Cb 0.00 -2.54 0.05 0.00 -2.00 0.00 0.00 41.25 36.76 1xpn s ASN 85 CO 0.00 -1.62 -0.07 -0.22 -2.94 0.00 0.00 177.10 172.25 1xpn s LEU 86 N 5.10 3.52 0.77 3.54 0.20 0.99 -4.95 118.68 127.86 1xpn s LEU 86 Ca 0.38 -1.26 -0.11 0.00 0.69 0.00 0.00 54.13 53.83 1xpn s LEU 86 Cb -0.05 -1.62 0.06 0.00 -0.43 0.00 0.00 46.19 44.15 1xpn s LEU 86 CO 0.03 -0.20 1.10 -0.62 -0.29 0.00 0.00 176.35 176.37 1xpn s ASP 87 N 1.19 4.41 0.54 3.68 -1.08 -1.26 -0.37 116.67 123.77 1xpn s ASP 87 Ca -0.06 1.88 0.23 0.00 -0.52 0.00 0.00 52.55 54.07 1xpn s ASP 87 Cb -0.19 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.13 1xpn s ASP 87 CO -0.04 -2.10 2.07 0.00 0.52 0.00 0.00 175.17 175.62 1xpn h ALA 88 N -1.08 2.21 -0.01 3.66 0.00 -1.90 0.27 119.26 122.41 1xpn h ALA 88 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 88 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpn h ALA 88 CO 0.51 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 1xpn n ALA 89 N -2.56 2.70 0.26 0.00 0.00 -1.26 -3.26 120.51 116.39 1xpn n ALA 89 Ca 0.04 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.26 1xpn n ALA 89 Cb 0.37 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.67 1xpn n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpn n LYS 90 N -0.62 2.22 -1.85 0.00 5.02 0.94 -4.95 118.16 118.92 1xpn n LYS 90 Ca 0.18 -2.04 -0.42 0.00 -2.02 0.00 0.00 58.31 54.01 1xpn n LYS 90 Cb 0.26 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xpn s ARG 91 N -1.31 3.11 -0.11 1.97 3.52 -1.18 -4.88 118.95 120.07 1xpn s ARG 91 Ca 0.31 1.53 -0.29 0.00 -0.13 0.00 0.00 55.73 57.15 1xpn s ARG 91 Cb 0.18 -4.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 1xpn s ARG 91 CO 0.26 -2.13 1.80 0.34 -0.81 0.00 0.00 175.30 174.76 1xpn s ASP 92 N 7.44 6.35 0.00 -2.12 -1.08 -1.26 -4.87 116.67 121.13 1xpn s ASP 92 Ca 0.86 2.11 0.19 0.00 -0.52 0.00 0.00 52.55 55.19 1xpn s ASP 92 Cb -0.24 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.22 1xpn s ASP 92 CO 0.32 -1.21 1.44 -0.81 0.52 0.00 0.00 175.17 175.43 1xpn n PRO 93 N 7.63 2.16 -0.00 4.34 -0.04 -1.26 -4.38 135.00 143.45 1xpn n PRO 93 Ca 0.20 -1.78 -0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1xpn n PRO 93 Cb 0.43 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1xpn n PRO 93 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xpn n ASP 94 N 0.97 2.54 -4.53 3.54 2.03 -1.26 -4.99 116.55 114.85 1xpn n ASP 94 Ca 0.18 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.10 1xpn n ASP 94 Cb 0.46 -0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xpn s VAL 95 N -2.01 5.09 0.53 5.18 1.01 -1.26 -5.09 120.40 123.85 1xpn s VAL 95 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1xpn s VAL 95 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1xpn s VAL 95 CO 0.01 0.16 0.85 -1.10 0.00 0.00 0.00 175.10 175.01 1xpn s GLN 96 N 1.71 3.39 -0.14 2.72 -0.21 -1.26 -4.78 119.66 121.09 1xpn s GLN 96 Ca 0.06 0.22 -0.31 0.00 0.02 0.00 0.00 55.36 55.35 1xpn s GLN 96 Cb -0.16 -2.31 -0.09 0.00 1.00 0.00 0.00 33.01 31.45 1xpn s GLN 96 CO 0.09 -0.38 2.06 -0.35 -2.12 0.00 0.00 175.29 174.60 1xpn n PRO 97 N -2.41 2.14 -1.87 2.91 -0.04 -1.26 -4.92 135.00 129.55 1xpn n PRO 97 Ca 0.02 0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 63.78 1xpn n PRO 97 Cb 0.56 -2.91 -0.01 0.00 -0.04 0.00 0.00 33.50 31.09 1xpn n PRO 97 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1xpn s PRO 98 N 5.23 4.17 -0.52 0.54 0.04 -1.26 -4.92 135.00 138.28 1xpn s PRO 98 Ca 0.97 2.49 -0.28 0.00 0.04 0.00 0.00 61.00 64.22 1xpn s PRO 98 Cb -0.53 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1xpn s PRO 98 CO 0.43 -0.48 1.48 0.08 0.04 0.00 0.00 177.00 178.56 1xpn s VAL 99 N -0.87 3.74 0.15 -0.36 1.01 -1.26 -4.99 120.40 117.82 1xpn s VAL 99 Ca 0.54 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1xpn s VAL 99 Cb -0.45 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1xpn s VAL 99 CO 0.57 -1.02 0.20 0.18 0.00 0.00 0.00 175.10 175.03 1xpn n LEU 100 N 9.80 0.00 -4.75 3.92 4.77 -1.26 -5.04 117.00 124.44 1xpn n LEU 100 Ca 0.15 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 1xpn n LEU 100 Cb 0.49 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1xpn n LEU 100 CO 0.71 -0.60 0.99 -0.62 -1.33 0.00 0.00 177.39 176.54 1xpn s ASP 101 N -1.83 6.84 0.65 -1.43 2.15 -1.26 -4.89 116.67 116.91 1xpn s ASP 101 Ca 0.14 2.53 0.28 0.00 0.43 0.00 0.00 52.55 55.93 1xpn s ASP 101 Cb -0.01 -2.63 1.50 0.00 -0.30 0.00 0.00 42.92 41.49 1xpn s ASP 101 CO 0.09 -0.53 1.86 1.55 -0.17 0.00 0.00 175.17 177.96 1xpn h PRO 102 N 4.57 0.00 -0.12 4.34 0.13 -2.03 -1.03 132.00 137.86 1xpn h PRO 102 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1xpn h PRO 102 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xpn h PRO 102 CO 0.73 0.00 0.10 0.00 -0.23 0.00 0.00 178.00 178.60 1xpn h ARG 103 N 0.00 0.00 0.00 0.86 3.08 -2.01 -0.79 114.38 115.52 1xpn h ARG 103 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xpn h ARG 103 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1xpn h ARG 103 CO -0.00 0.00 -0.15 0.07 -1.07 0.00 0.00 179.97 178.82 1xpn h ARG 104 N 0.00 0.00 0.00 0.04 0.11 -1.56 0.38 114.38 113.35 1xpn h ARG 104 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1xpn h ARG 104 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1xpn h ARG 104 CO -0.00 0.15 0.00 0.00 0.10 0.00 0.00 179.97 180.22 1xpn h ALA 105 N 1.85 1.00 0.01 0.08 0.00 -1.34 0.24 119.26 121.09 1xpn h ALA 105 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1xpn h ALA 105 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1xpn h ALA 105 CO 0.02 0.00 -2.42 2.41 0.00 0.00 0.00 179.25 179.26 1xpn n THR 106 N -2.54 1.53 0.09 0.00 -1.04 -0.08 -4.52 114.28 107.72 1xpn n THR 106 Ca 0.02 -0.47 -0.06 0.00 -2.04 0.00 0.00 64.05 61.49 1xpn n THR 106 Cb 0.27 -1.66 0.07 0.00 -1.82 0.00 0.00 70.33 67.19 1xpn n THR 106 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1xpn h TYR 107 N -0.45 0.27 -2.55 -1.42 0.05 -0.96 -3.39 116.97 108.52 1xpn h TYR 107 Ca -0.61 -0.12 -0.57 0.00 0.05 0.00 0.00 58.73 57.47 1xpn h TYR 107 Cb 1.76 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 39.36 1xpn h TYR 107 CO -0.01 0.85 0.86 0.08 -1.05 0.00 0.00 178.16 178.89 1xpn s VAL 108 N -3.50 3.97 -0.16 -2.88 1.01 0.83 -4.77 120.40 114.91 1xpn s VAL 108 Ca -0.03 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 1xpn s VAL 108 Cb 0.11 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 1xpn s VAL 108 CO 0.81 -1.66 0.75 -0.13 0.00 0.00 0.00 175.10 174.86 1xpn s ARG 109 N 5.06 4.30 -0.16 2.72 0.52 -0.90 -4.76 118.95 125.73 1xpn s ARG 109 Ca 0.31 0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 56.32 1xpn s ARG 109 Cb -0.11 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1xpn s ARG 109 CO 0.14 -0.22 0.09 -1.21 0.02 0.00 0.00 175.30 174.12 1xpn s GLU 110 N 1.80 3.82 -0.13 3.54 2.02 -1.26 -0.65 118.70 127.85 1xpn s GLU 110 Ca 0.35 -0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.08 1xpn s GLU 110 Cb -0.17 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 1xpn s GLU 110 CO 0.13 0.44 -0.13 0.00 0.02 0.00 0.00 175.26 175.72 1xpn s ALA 111 N -0.07 2.61 -0.44 5.21 0.00 0.13 -4.93 121.76 124.27 1xpn s ALA 111 Ca 0.08 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 1xpn s ALA 111 Cb -0.12 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1xpn s ALA 111 CO 0.01 0.22 0.51 0.99 0.00 0.00 0.00 175.76 177.48 1xpn s THR 112 N 0.40 5.00 0.65 0.00 2.01 -1.26 -0.02 115.64 122.42 1xpn s THR 112 Ca -0.10 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1xpn s THR 112 Cb -0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 1xpn s THR 112 CO 0.05 -0.53 1.20 0.42 -0.69 0.00 0.00 174.62 175.08 1xpn s THR 113 N 2.34 2.55 0.37 -0.82 -4.23 -0.49 -4.86 115.64 110.50 1xpn s THR 113 Ca 0.14 0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.90 1xpn s THR 113 Cb -0.17 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.75 1xpn s THR 113 CO 0.14 -0.11 0.39 0.47 -0.54 0.00 0.00 174.62 174.97 1xpn n ASP 114 N -2.04 -0.82 0.22 3.99 8.00 -1.02 -3.46 116.55 121.43 1xpn n ASP 114 Ca 0.13 -0.89 0.09 0.00 0.71 0.00 0.00 54.79 54.84 1xpn n ASP 114 Cb 0.50 -0.33 0.52 0.00 -0.02 0.00 0.00 41.12 41.79 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1xpn h GLN 115 N 0.00 0.00 -0.24 -1.24 4.15 -1.93 -1.35 115.11 114.51 1xpn h GLN 115 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1xpn h GLN 115 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1xpn h GLN 115 CO 0.09 0.24 0.00 0.09 -1.93 0.00 0.00 178.83 177.32 1xpn n ASN 116 N -3.64 1.24 -3.07 -0.69 5.03 -1.26 -4.54 115.26 108.32 1xpn n ASN 116 Ca -0.01 -2.00 -0.22 0.00 0.87 0.00 0.00 54.58 53.21 1xpn n ASN 116 Cb 0.37 -0.16 0.04 0.00 -1.02 0.00 0.00 39.78 39.02 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xpn n GLY 117 N 0.86 -0.50 3.60 7.41 0.00 -0.51 -4.72 105.19 111.32 1xpn n GLY 117 Ca 0.08 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1xpn n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpn s ARG 118 N -5.81 1.92 0.14 1.61 0.52 -1.26 -1.39 118.95 114.68 1xpn s ARG 118 Ca 0.36 -2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.32 1xpn s ARG 118 Cb -0.16 -1.71 0.07 0.00 0.52 0.00 0.00 34.95 33.67 1xpn s ARG 118 CO 0.44 0.04 0.98 -0.59 0.02 0.00 0.00 175.30 176.20 1xpn s PHE 119 N -2.65 -0.12 0.02 -0.53 -0.71 -0.81 -2.42 117.98 110.75 1xpn s PHE 119 Ca 0.34 -0.17 -0.10 0.00 -1.04 0.00 0.00 56.93 55.96 1xpn s PHE 119 Cb 0.06 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.51 1xpn s PHE 119 CO 0.18 -0.79 0.21 0.16 -1.34 0.00 0.00 175.22 173.65 1xpn s ASP 120 N -2.94 -0.02 0.09 1.98 -4.77 -1.26 -1.31 116.67 108.43 1xpn s ASP 120 Ca 0.12 -0.24 0.03 0.00 -3.30 0.00 0.00 52.55 49.17 1xpn s ASP 120 Cb -0.01 0.28 -0.03 0.00 -1.09 0.00 0.00 42.92 42.07 1xpn s ASP 120 CO 0.02 -0.51 -0.09 -0.36 0.70 0.00 0.00 175.17 174.93 1xpn s PHE 121 N -2.11 0.99 0.17 2.11 0.08 0.30 -4.96 117.98 114.57 1xpn s PHE 121 Ca -0.09 -0.67 -0.05 0.00 0.12 0.00 0.00 56.93 56.25 1xpn s PHE 121 Cb -0.03 -0.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 1xpn s PHE 121 CO -0.01 -0.03 0.32 -0.40 -0.10 0.00 0.00 175.22 174.99 1xpn n ASP 122 N 0.61 -0.92 -2.07 1.36 5.68 -1.26 -1.09 116.55 118.85 1xpn n ASP 122 Ca -0.16 -1.77 -0.18 0.00 -0.50 0.00 0.00 54.79 52.17 1xpn n ASP 122 Cb 0.58 1.57 -0.01 0.00 -1.14 0.00 0.00 41.12 42.12 1xpn n ASP 122 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1xpn n HIS 123 N -0.25 -0.88 -3.97 2.11 8.25 -1.24 -4.93 115.22 114.32 1xpn n HIS 123 Ca -0.03 0.01 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1xpn n HIS 123 Cb 0.27 -3.58 -0.13 0.00 1.12 0.00 0.00 29.99 27.67 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 -2.90 3.78 0.69 1.59 1.01 -1.25 -4.03 121.20 120.08 1xpn s ILE 124 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1xpn s ILE 124 Cb -0.00 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1xpn s ILE 124 CO 0.01 0.41 1.07 -2.16 0.00 0.00 0.00 174.94 174.27 1xpn s PRO 125 N 1.29 2.88 0.33 2.79 0.04 -1.25 -0.31 135.00 140.76 1xpn s PRO 125 Ca 0.04 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1xpn s PRO 125 Cb -0.15 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1xpn s PRO 125 CO 0.00 -1.15 1.52 -0.80 0.04 0.00 0.00 177.00 176.61 1xpn s ASN 126 N -3.48 6.39 0.00 6.66 0.01 -1.26 -4.88 114.94 118.38 1xpn s ASN 126 Ca 0.60 2.97 0.00 0.00 -0.71 0.00 0.00 52.86 55.72 1xpn s ASN 126 Cb -0.15 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.86 1xpn s ASN 126 CO 0.51 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.85 1xpn n GLY 127 N 1.26 -1.59 3.49 0.66 0.00 -1.01 -4.99 105.19 103.01 1xpn n GLY 127 Ca 0.04 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xpn s THR 128 N -2.33 3.45 0.24 2.61 -1.32 -1.26 0.23 115.64 117.25 1xpn s THR 128 Ca 0.00 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1xpn s THR 128 Cb 0.00 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1xpn s THR 128 CO 0.00 0.56 0.11 -0.31 -2.21 0.00 0.00 174.62 172.77 1xpn s TYR 129 N -0.26 1.38 -0.15 9.09 1.51 0.13 -2.26 117.35 126.79 1xpn s TYR 129 Ca 0.03 -1.27 -0.02 0.00 -1.01 0.00 0.00 57.07 54.79 1xpn s TYR 129 Cb -0.13 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1xpn s TYR 129 CO 0.03 -0.47 -0.07 0.71 -1.11 0.00 0.00 175.55 174.63 1xpn s TYR 130 N -3.92 2.93 -0.47 2.71 2.02 0.14 -0.80 117.35 119.97 1xpn s TYR 130 Ca 0.38 -0.51 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1xpn s TYR 130 Cb 0.07 -1.93 0.07 0.00 -0.40 0.00 0.00 41.96 39.77 1xpn s TYR 130 CO 0.13 -0.17 0.39 0.42 -1.57 0.00 0.00 175.55 174.76 1xpn s ILE 131 N 0.50 5.21 -0.20 2.71 1.01 -0.51 -1.76 121.20 128.17 1xpn s ILE 131 Ca -0.06 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 1xpn s ILE 131 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1xpn s ILE 131 CO 0.03 -0.57 0.05 -0.55 0.00 0.00 0.00 174.94 173.90 1xpn s SER 132 N 2.58 5.34 -0.06 3.58 0.15 0.43 -1.42 113.70 124.29 1xpn s SER 132 Ca 0.04 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 1xpn s SER 132 Cb -0.24 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1xpn s SER 132 CO 0.07 0.11 0.03 -0.44 1.20 0.00 0.00 173.24 174.21 1xpn s SER 133 N 0.73 1.45 -0.70 5.45 0.01 0.90 0.24 113.70 121.78 1xpn s SER 133 Ca 0.02 -0.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.03 1xpn s SER 133 Cb -0.14 -0.30 0.10 0.00 0.21 0.00 0.00 66.02 65.90 1xpn s SER 133 CO 0.02 -0.23 0.90 -0.70 0.41 0.00 0.00 173.24 173.65 1xpn s GLU 134 N 2.07 3.22 -0.26 12.44 2.12 -1.25 -0.92 118.70 136.11 1xpn s GLU 134 Ca 0.05 -1.27 0.03 0.00 0.36 0.00 0.00 54.97 54.13 1xpn s GLU 134 Cb -0.12 -4.40 0.06 0.00 0.26 0.00 0.00 34.13 29.93 1xpn s GLU 134 CO -0.04 -1.69 -0.10 -1.17 -0.54 0.00 0.00 175.26 171.72 1xpn s LEU 135 N 3.13 3.50 0.01 2.70 2.96 -0.15 -4.68 118.68 126.16 1xpn s LEU 135 Ca 0.21 -1.44 0.01 0.00 -0.22 0.00 0.00 54.13 52.68 1xpn s LEU 135 Cb -0.16 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1xpn s LEU 135 CO 0.04 -0.20 -0.04 0.28 -1.32 0.00 0.00 176.35 175.11 1xpn s THR 136 N 1.10 0.26 0.03 3.68 -1.32 -1.26 -0.48 115.64 117.65 1xpn s THR 136 Ca -0.08 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.01 1xpn s THR 136 Cb -0.20 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1xpn s THR 136 CO -0.05 -0.07 0.06 -1.66 -2.21 0.00 0.00 174.62 170.69 1xpn s TRP 137 N -0.42 0.23 0.14 9.09 -2.14 0.13 -4.95 118.94 121.02 1xpn s TRP 137 Ca -0.03 -0.53 -0.25 0.00 2.66 0.00 0.00 56.10 57.95 1xpn s TRP 137 Cb -0.03 -0.17 -0.07 0.00 -3.10 0.00 0.00 33.47 30.09 1xpn s TRP 137 CO -0.00 -0.32 0.76 -1.54 -2.66 0.00 0.00 176.95 173.19 1xpn s SER 138 N -2.00 7.34 0.14 -2.66 1.04 -1.26 -0.26 113.70 116.04 1xpn s SER 138 Ca -0.07 1.59 0.01 0.00 0.48 0.00 0.00 55.95 57.96 1xpn s SER 138 Cb -0.03 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1xpn s SER 138 CO -0.04 0.18 -0.01 0.00 0.98 0.00 0.00 173.24 174.35 1xpn s ALA 139 N -0.93 1.15 -0.31 5.32 0.00 -0.72 -4.90 121.76 121.37 1xpn s ALA 139 Ca 0.36 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1xpn s ALA 139 Cb -0.22 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1xpn s ALA 139 CO 0.25 -0.32 0.14 -0.65 0.00 0.00 0.00 175.76 175.19 1xpn s GLN 140 N -3.91 3.34 -0.92 0.00 1.11 -1.26 -1.16 119.66 116.86 1xpn s GLN 140 Ca 0.20 -0.71 -0.05 0.00 0.01 0.00 0.00 55.36 54.81 1xpn s GLN 140 Cb 0.06 -3.54 0.23 0.00 -1.01 0.00 0.00 33.01 28.75 1xpn s GLN 140 CO 0.01 -0.40 0.84 -1.54 0.01 0.00 0.00 175.29 174.20 1xpn s SER 141 N 1.61 6.33 0.00 5.90 1.04 0.15 -4.94 113.70 123.79 1xpn s SER 141 Ca 0.05 -3.55 0.00 0.00 0.48 0.00 0.00 55.95 52.92 1xpn s SER 141 Cb -0.17 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1xpn s SER 141 CO 0.06 -0.25 0.00 -0.67 0.98 0.00 0.00 173.24 173.36 1xpn n ASP 142 N 2.63 0.00 -0.07 7.02 2.03 -1.26 -2.01 116.55 124.89 1xpn n ASP 142 Ca 0.20 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.53 1xpn n ASP 142 Cb 0.38 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.00 -0.25 3.26 0.27 0.00 -1.26 -5.02 105.19 102.19 1xpn n GLY 143 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1xpn n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s LYS 144 N -0.74 1.14 -0.30 1.61 -2.85 -0.85 -5.12 119.74 112.63 1xpn s LYS 144 Ca 0.02 -1.08 -0.14 0.00 -1.00 0.00 0.00 55.97 53.77 1xpn s LYS 144 Cb 0.02 -1.35 -0.03 0.00 -2.06 0.00 0.00 37.83 34.42 1xpn s LYS 144 CO 0.08 0.32 0.33 0.99 0.10 0.00 0.00 175.35 177.16 1xpn s THR 145 N -1.08 5.20 0.42 3.79 2.01 -1.26 0.33 115.64 125.05 1xpn s THR 145 Ca 0.06 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1xpn s THR 145 Cb -0.10 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1xpn s THR 145 CO 0.03 0.08 0.31 0.27 -0.69 0.00 0.00 174.62 174.62 1xpn s ILE 146 N 1.98 2.47 -0.40 1.82 -4.36 -0.31 -4.94 121.20 117.46 1xpn s ILE 146 Ca 0.12 -1.48 -0.13 0.00 -0.26 0.00 0.00 60.65 58.91 1xpn s ILE 146 Cb -0.16 -2.95 0.04 0.00 1.25 0.00 0.00 42.46 40.64 1xpn s ILE 146 CO 0.11 0.00 0.27 -0.89 0.24 0.00 0.00 174.94 174.66 1xpn s THR 147 N -2.54 4.83 0.21 8.37 2.01 -1.26 -1.76 115.64 125.51 1xpn s THR 147 Ca 0.45 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1xpn s THR 147 Cb -0.01 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1xpn s THR 147 CO 0.26 -0.34 0.50 -1.61 -0.69 0.00 0.00 174.62 172.74 1xpn s GLU 148 N 1.59 3.72 1.43 4.92 0.41 0.65 -4.86 118.70 126.55 1xpn s GLU 148 Ca 0.03 0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1xpn s GLU 148 Cb -0.20 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1xpn s GLU 148 CO 0.07 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 1xpn n GLY 149 N -0.20 0.84 0.00 -1.39 0.00 -1.26 -0.69 105.19 102.49 1xpn n GLY 149 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.96 3.39 -0.02 0.00 0.37 -4.16 105.19 105.74 1xpn n GLY 150 Ca 0.00 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 1xpn n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 151 N -2.78 4.95 -0.19 2.61 2.01 0.50 -0.97 115.64 121.77 1xpn s THR 151 Ca 0.00 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 1xpn s THR 151 Cb 0.00 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1xpn s THR 151 CO 0.00 -0.90 0.34 0.54 -0.69 0.00 0.00 174.62 173.91 1xpn s VAL 152 N 2.37 5.25 -0.12 3.82 0.11 -0.10 -0.01 120.40 131.73 1xpn s VAL 152 Ca 0.10 0.61 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 1xpn s VAL 152 Cb -0.23 -3.68 0.03 0.00 -1.53 0.00 0.00 36.38 30.97 1xpn s VAL 152 CO 0.08 0.31 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.24 1xpn s THR 153 N 0.95 0.76 0.08 5.04 2.01 -1.25 -0.07 115.64 123.14 1xpn s THR 153 Ca 0.17 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1xpn s THR 153 Cb -0.14 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1xpn s THR 153 CO 0.06 0.22 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.45 1xpn s LYS 154 N 1.80 2.53 -0.44 4.92 2.20 -0.51 -4.43 119.74 125.82 1xpn s LYS 154 Ca 0.04 -0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 54.57 1xpn s LYS 154 Cb -0.13 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1xpn s LYS 154 CO -0.07 0.55 0.92 -1.17 -0.36 0.00 0.00 175.35 175.22 1xpn s LEU 155 N -2.15 4.00 -0.18 5.43 2.96 -1.26 -1.42 118.68 126.07 1xpn s LEU 155 Ca 0.24 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1xpn s LEU 155 Cb -0.12 -3.21 0.02 0.00 0.50 0.00 0.00 46.19 43.39 1xpn s LEU 155 CO 0.16 -0.99 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.33 1xpn s VAL 156 N 3.67 1.96 -0.24 1.68 1.01 0.02 -4.99 120.40 123.51 1xpn s VAL 156 Ca 0.37 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1xpn s VAL 156 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1xpn s VAL 156 CO 0.24 0.48 0.06 -0.89 0.00 0.00 0.00 175.10 175.00 1xpn s THR 157 N 1.32 4.31 -0.36 3.92 2.01 -1.26 0.17 115.64 125.75 1xpn s THR 157 Ca 0.04 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 1xpn s THR 157 Cb -0.13 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1xpn s THR 157 CO -0.12 0.35 1.11 -0.69 -0.69 0.00 0.00 174.62 174.58 1xpn s VAL 158 N 1.51 4.41 -0.05 3.82 1.01 0.13 -4.91 120.40 126.32 1xpn s VAL 158 Ca 0.06 1.59 0.12 0.00 0.00 0.00 0.00 61.98 63.74 1xpn s VAL 158 Cb -0.15 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 1xpn s VAL 158 CO 0.03 -0.61 1.33 0.28 0.00 0.00 0.00 175.10 176.14 1xpn h SER 159 N 8.45 0.00 -0.17 3.32 0.02 -1.94 -2.67 113.55 120.57 1xpn h SER 159 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xpn h SER 159 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1xpn h SER 159 CO 1.06 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 178.06 1xpn n GLY 160 N 1.29 1.23 0.72 -3.77 0.00 -1.26 -4.96 105.19 98.44 1xpn n GLY 160 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.30 1xpn n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpn n SER 161 N -0.17 1.97 -4.95 1.61 7.64 -1.26 -4.08 113.62 114.38 1xpn n SER 161 Ca 0.00 -2.17 -0.23 0.00 1.01 0.00 0.00 58.87 57.48 1xpn n SER 161 Cb 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.84 1xpn n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpn s GLN 162 N -1.62 2.94 -0.26 1.43 -2.07 -1.26 -4.56 119.66 114.26 1xpn s GLN 162 Ca 0.17 -0.46 -0.28 0.00 -1.82 0.00 0.00 55.36 52.97 1xpn s GLN 162 Cb 0.11 -2.49 -0.03 0.00 -1.09 0.00 0.00 33.01 29.51 1xpn s GLN 162 CO 0.08 -0.43 1.95 -2.14 -1.32 0.00 0.00 175.29 173.42 1xpn s PRO 163 N -4.67 3.33 -0.67 9.60 0.02 -1.26 -3.81 135.00 137.54 1xpn s PRO 163 Ca 0.51 1.73 -0.18 0.00 0.02 0.00 0.00 61.00 63.08 1xpn s PRO 163 Cb -0.10 -4.25 0.13 0.00 0.02 0.00 0.00 34.50 30.30 1xpn s PRO 163 CO 0.39 -1.87 0.75 -0.65 -0.33 0.00 0.00 177.00 175.30 1xpn s GLN 164 N 5.79 3.19 -0.38 5.54 -1.52 0.13 -4.94 119.66 127.47 1xpn s GLN 164 Ca 0.87 -1.58 -0.24 0.00 -1.95 0.00 0.00 55.36 52.47 1xpn s GLN 164 Cb -0.27 -4.37 0.01 0.00 -0.22 0.00 0.00 33.01 28.15 1xpn s GLN 164 CO 0.34 -1.52 0.82 0.21 -0.25 0.00 0.00 175.29 174.89 1xpn s LYS 165 N 2.23 3.71 -0.17 2.91 2.20 -1.26 0.27 119.74 129.63 1xpn s LYS 165 Ca 0.14 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1xpn s LYS 165 Cb -0.20 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.29 1xpn s LYS 165 CO 0.02 -0.93 -0.16 0.08 -0.36 0.00 0.00 175.35 173.99 1xpn s VAL 166 N 3.25 2.47 -0.41 4.02 1.01 0.75 -4.93 120.40 126.56 1xpn s VAL 166 Ca 0.33 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1xpn s VAL 166 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1xpn s VAL 166 CO 0.19 0.52 0.51 -0.76 0.00 0.00 0.00 175.10 175.55 1xpn s LEU 167 N 1.05 4.63 -0.79 3.92 1.43 -1.26 -1.89 118.68 125.77 1xpn s LEU 167 Ca -0.01 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 1xpn s LEU 167 Cb -0.14 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.64 1xpn s LEU 167 CO -0.05 -0.61 1.07 -0.22 0.23 0.00 0.00 176.35 176.77 1xpn s LEU 168 N 2.39 4.56 0.24 1.79 2.96 -0.25 -4.92 118.68 125.45 1xpn s LEU 168 Ca 0.16 -1.42 -0.22 0.00 -0.22 0.00 0.00 54.13 52.43 1xpn s LEU 168 Cb -0.16 -2.42 0.05 0.00 0.50 0.00 0.00 46.19 44.15 1xpn s LEU 168 CO 0.15 -1.31 0.85 0.28 -1.32 0.00 0.00 176.35 175.00 1xpn s THR 169 N 3.63 0.00 -1.33 3.68 -1.32 -1.26 -2.11 115.64 116.92 1xpn s THR 169 Ca 0.28 -0.84 0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1xpn s THR 169 Cb -0.11 -2.20 0.08 0.00 -1.51 0.00 0.00 72.50 68.76 1xpn s THR 169 CO 0.01 0.00 0.84 -1.14 -2.21 0.00 0.00 174.62 172.12