#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 0.03 0.00 1.61 0.02 -2.12 -3.47 113.55 109.62 1xpn h SER 2 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1xpn h SER 2 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1xpn h SER 2 CO 0.00 0.95 0.00 -1.20 -1.14 0.00 0.00 176.83 175.44 1xpn n SER 3 N -3.46 0.00 -3.92 3.07 7.64 -1.26 -4.63 113.62 111.07 1xpn n SER 3 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 1xpn n SER 3 Cb 0.88 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.91 1xpn n SER 3 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xpn s HIS 4 N 0.00 1.56 0.07 1.43 5.65 -1.26 -5.12 115.29 117.62 1xpn s HIS 4 Ca 0.00 -0.80 0.09 0.00 0.25 0.00 0.00 55.06 54.60 1xpn s HIS 4 Cb 0.00 -1.27 -0.03 0.00 -1.18 0.00 0.00 32.58 30.10 1xpn s HIS 4 CO 0.00 -0.53 -0.24 -3.38 -0.65 0.00 0.00 174.74 169.93 1xpn s HIS 5 N 1.69 2.38 -0.80 3.88 0.00 -1.26 -5.08 115.29 116.09 1xpn s HIS 5 Ca 0.05 -0.37 -0.24 0.00 -3.00 0.00 0.00 55.06 51.50 1xpn s HIS 5 Cb -0.13 -1.37 0.06 0.00 -4.00 0.00 0.00 32.58 27.15 1xpn s HIS 5 CO -0.08 0.22 1.20 -3.38 -1.00 0.00 0.00 174.74 171.70 1xpn s HIS 6 N -0.91 2.56 -0.10 0.38 -0.00 -1.26 -4.83 115.29 111.12 1xpn s HIS 6 Ca 0.13 -0.53 0.16 0.00 -0.00 0.00 0.00 55.06 54.82 1xpn s HIS 6 Cb -0.10 -4.50 0.22 0.00 -0.00 0.00 0.00 32.58 28.20 1xpn s HIS 6 CO 0.04 -1.85 1.52 1.12 -0.00 0.00 0.00 174.74 175.57 1xpn h HIS 7 N 9.69 0.00 -3.59 0.38 -0.00 -2.05 -3.39 115.15 116.19 1xpn h HIS 7 Ca -0.13 0.00 -0.78 0.00 -0.00 0.00 0.00 60.37 59.47 1xpn h HIS 7 Cb 1.04 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 28.20 1xpn h HIS 7 CO 1.12 0.45 -0.02 -1.58 -0.00 0.00 0.00 177.93 177.90 1xpn s HIS 8 N -3.10 3.60 -0.38 6.12 5.65 -1.26 -4.82 115.29 121.10 1xpn s HIS 8 Ca 0.03 -1.81 -0.02 0.00 0.25 0.00 0.00 55.06 53.51 1xpn s HIS 8 Cb 0.08 -3.78 0.24 0.00 -1.18 0.00 0.00 32.58 27.94 1xpn s HIS 8 CO 0.73 -0.99 1.10 1.58 -0.65 0.00 0.00 174.74 176.50 1xpn n HIS 9 N 4.35 -1.33 0.08 3.88 -0.00 -1.26 -5.02 115.22 115.91 1xpn n HIS 9 Ca 0.05 -0.91 -0.14 0.00 -0.00 0.00 0.00 57.72 56.72 1xpn n HIS 9 Cb 0.44 1.20 -0.06 0.00 -0.00 0.00 0.00 29.99 31.57 1xpn n HIS 9 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1xpn h SER 10 N 3.76 0.49 -1.66 0.26 4.64 -1.96 -3.40 113.55 115.69 1xpn h SER 10 Ca -0.13 -0.43 -0.44 0.00 -0.47 0.00 0.00 61.79 60.33 1xpn h SER 10 Cb 1.16 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1xpn h SER 10 CO -0.07 1.25 1.23 -0.44 -0.87 0.00 0.00 176.83 177.93 1xpn s SER 11 N -7.09 5.13 0.00 4.97 0.01 -1.26 -1.35 113.70 114.11 1xpn s SER 11 Ca -0.05 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1xpn s SER 11 Cb 0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1xpn s SER 11 CO 0.87 -2.54 0.00 0.61 0.41 0.00 0.00 173.24 172.59 1xpn n GLY 12 N 5.98 0.96 0.08 3.44 0.00 -1.26 -4.95 105.19 109.45 1xpn n GLY 12 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1xpn n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xpn h LEU 13 N 0.00 0.00-10.53 0.99 5.85 -1.42 -3.45 115.31 106.74 1xpn h LEU 13 Ca 0.00 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.24 1xpn h LEU 13 Cb 0.00 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.12 1xpn h LEU 13 CO 0.00 0.89 0.41 0.68 -0.34 0.00 0.00 178.44 180.08 1xpn s VAL 14 N -2.94 2.84 0.00 1.05 -7.23 -1.26 -4.91 120.40 107.95 1xpn s VAL 14 Ca 0.01 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1xpn s VAL 14 Cb 0.11 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1xpn s VAL 14 CO 0.80 -0.36 0.80 -0.81 -0.31 0.00 0.00 175.10 175.22 1xpn n PRO 15 N -3.16 0.54 -2.59 4.82 -0.04 -1.26 -4.62 135.00 128.69 1xpn n PRO 15 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1xpn n PRO 15 Cb 0.59 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1xpn n PRO 15 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1xpn n ARG 16 N 1.21 -2.60 -3.38 0.54 0.63 -1.26 -4.93 116.66 106.86 1xpn n ARG 16 Ca 0.00 0.92 0.03 0.00 -0.92 0.00 0.00 57.85 57.88 1xpn n ARG 16 Cb 0.27 -5.63 -0.05 0.00 0.45 0.00 0.00 32.46 27.50 1xpn n ARG 16 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xpn s GLY 17 N -2.23 0.40 0.14 5.14 0.00 -1.26 -5.00 107.32 104.51 1xpn s GLY 17 Ca 0.09 3.71 0.23 0.00 0.00 0.00 0.00 44.72 48.75 1xpn s GLY 17 CO 0.11 3.12 1.14 1.44 0.00 0.00 0.00 173.10 178.91 1xpn n SER 18 N 3.97 0.73 0.00 1.64 7.64 -1.26 -4.98 113.62 121.36 1xpn n SER 18 Ca -0.11 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1xpn n SER 18 Cb 0.56 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1xpn n SER 18 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xpn n HIS 19 N -2.30 0.00 -2.17 1.43 8.25 -1.26 -4.74 115.22 114.43 1xpn n HIS 19 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1xpn n HIS 19 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 1xpn n HIS 19 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1xpn n MET 20 N 0.00 -1.69 0.00 -0.41 2.81 -1.26 -4.89 117.12 111.68 1xpn n MET 20 Ca 0.00 0.98 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 1xpn n MET 20 Cb 0.00 -5.55 0.00 0.00 -0.71 0.00 0.00 33.22 26.96 1xpn n MET 20 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xpn n ALA 21 N -1.15 0.00 -2.25 3.04 0.00 -1.26 -4.96 120.51 113.93 1xpn n ALA 21 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1xpn n ALA 21 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1xpn n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xpn n SER 22 N 0.00 -3.27 -4.52 0.00 7.64 -1.26 -5.00 113.62 107.21 1xpn n SER 22 Ca 0.00 -0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 1xpn n SER 22 Cb 0.00 -2.49 -0.08 0.00 -1.01 0.00 0.00 64.21 60.63 1xpn n SER 22 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xpn s ASN 23 N -2.63 6.26 -0.18 6.43 -0.87 -1.26 -5.05 114.94 117.65 1xpn s ASN 23 Ca 0.02 -0.35 -0.18 0.00 -1.57 0.00 0.00 52.86 50.78 1xpn s ASN 23 Cb -0.01 -2.26 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 1xpn s ASN 23 CO 0.03 -0.58 0.49 -2.16 -2.57 0.00 0.00 177.10 172.31 1xpn s PRO 24 N 2.38 4.23 0.00 -0.60 0.04 -1.26 -5.02 135.00 134.77 1xpn s PRO 24 Ca 0.17 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1xpn s PRO 24 Cb -0.16 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1xpn s PRO 24 CO 0.15 -0.05 0.00 -1.71 0.04 0.00 0.00 177.00 175.43 1xpn n ASN 25 N 4.43 0.00 0.06 6.66 5.15 -1.26 -5.05 115.26 125.25 1xpn n ASN 25 Ca -0.06 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1xpn n ASN 25 Cb 0.51 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1xpn n ASP 26 N -1.74 -1.15 -4.88 1.20 2.03 -1.26 -5.13 116.55 105.62 1xpn n ASP 26 Ca 0.00 0.33 -0.30 0.00 0.52 0.00 0.00 54.79 55.34 1xpn n ASP 26 Cb 0.00 1.32 0.01 0.00 -0.72 0.00 0.00 41.12 41.73 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xpn s LEU 27 N -5.23 3.27 0.00 -2.67 1.43 -1.26 -5.01 118.68 109.20 1xpn s LEU 27 Ca 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1xpn s LEU 27 Cb 0.00 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1xpn s LEU 27 CO 0.00 -0.85 0.00 -2.65 0.23 0.00 0.00 176.35 173.08 1xpn n PRO 28 N -2.70 0.55 -0.26 1.29 -0.02 -1.26 -5.08 135.00 127.52 1xpn n PRO 28 Ca 0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 1xpn n PRO 28 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.05 1xpn n PRO 28 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xpn n ASP 29 N -0.91 -0.17 -4.10 2.55 2.03 -1.26 -5.02 116.55 109.66 1xpn n ASP 29 Ca 0.00 -1.00 -0.37 0.00 0.52 0.00 0.00 54.79 53.95 1xpn n ASP 29 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.16 1xpn n ASP 29 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpn s PHE 30 N -1.40 3.44 -0.34 -0.67 0.08 -1.26 -5.05 117.98 112.78 1xpn s PHE 30 Ca 0.11 -2.66 -0.15 0.00 0.12 0.00 0.00 56.93 54.35 1xpn s PHE 30 Cb -0.00 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1xpn s PHE 30 CO 0.08 -0.86 0.33 -1.25 -0.10 0.00 0.00 175.22 173.42 1xpn s PRO 31 N 0.11 3.57 0.00 0.24 0.04 -1.26 -4.94 135.00 132.76 1xpn s PRO 31 Ca 0.16 -0.45 0.28 0.00 0.04 0.00 0.00 61.00 61.03 1xpn s PRO 31 Cb -0.20 -3.80 1.06 0.00 0.04 0.00 0.00 34.50 31.60 1xpn s PRO 31 CO -0.04 -0.49 1.76 -1.91 0.04 0.00 0.00 177.00 176.37 1xpn n GLU 32 N 5.31 0.51 -0.33 4.56 2.13 -1.26 -3.93 120.64 127.63 1xpn n GLU 32 Ca -0.10 -0.20 0.07 0.00 0.66 0.00 0.00 57.16 57.60 1xpn n GLU 32 Cb 0.50 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.95 1xpn n GLU 32 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1xpn h HIS 33 N 0.48 0.96 0.00 4.31 2.76 -1.98 -0.07 115.15 121.62 1xpn h HIS 33 Ca 0.00 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1xpn h HIS 33 Cb 0.42 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1xpn h HIS 33 CO 0.00 0.31 -0.26 0.93 -1.30 0.00 0.00 177.93 177.61 1xpn h GLU 34 N 0.80 0.00 0.00 5.26 3.07 -1.96 0.17 114.58 121.92 1xpn h GLU 34 Ca 0.48 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.10 1xpn h GLU 34 Cb 0.59 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 1xpn h GLU 34 CO -0.31 0.26 -1.32 1.88 -1.40 0.00 0.00 179.01 178.12 1xpn h TYR 35 N 0.00 0.00 0.00 4.33 -1.99 -1.35 -3.31 116.97 114.65 1xpn h TYR 35 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1xpn h TYR 35 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 1xpn h TYR 35 CO 0.00 0.96 -0.39 0.00 -0.00 0.00 0.00 178.16 178.73 1xpn h ALA 36 N 1.04 0.81 -0.48 3.88 0.00 -0.68 -3.28 119.26 120.55 1xpn h ALA 36 Ca -0.14 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 1xpn h ALA 36 Cb 1.86 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.50 1xpn h ALA 36 CO 0.10 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.79 1xpn n ALA 37 N -2.15 4.13 -3.07 0.00 0.00 0.01 -4.89 120.51 114.53 1xpn n ALA 37 Ca 0.02 -1.43 -0.22 0.00 0.00 0.00 0.00 53.44 51.81 1xpn n ALA 37 Cb 0.57 -1.23 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.23 0.00 -3.67 0.00 -2.24 -1.24 -5.03 114.28 101.87 1xpn n THR 38 Ca 0.29 -1.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.20 1xpn n THR 38 Cb 1.02 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1xpn n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xpn s GLN 39 N -4.36 0.96 -0.00 -0.78 -2.07 -1.26 -5.04 119.66 107.11 1xpn s GLN 39 Ca 0.54 -0.53 0.09 0.00 -1.82 0.00 0.00 55.36 53.64 1xpn s GLN 39 Cb -0.04 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1xpn s GLN 39 CO 0.34 -0.34 0.36 1.04 -1.32 0.00 0.00 175.29 175.37 1xpn n GLN 40 N 0.23 3.53 -1.95 9.60 1.13 -1.26 -4.76 117.38 123.89 1xpn n GLN 40 Ca -0.17 -0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.56 1xpn n GLN 40 Cb 0.61 -0.96 -0.04 0.00 0.11 0.00 0.00 30.24 29.96 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1xpn s VAL 41 N -1.96 3.32 -0.07 5.09 1.01 -1.26 -4.58 120.40 121.96 1xpn s VAL 41 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1xpn s VAL 41 Cb 0.07 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1xpn s VAL 41 CO 0.37 -0.74 0.40 -0.83 0.00 0.00 0.00 175.10 174.30 1xpn s GLY 42 N 8.79 -0.27 -0.06 4.51 0.00 -1.26 -4.25 107.32 114.78 1xpn s GLY 42 Ca 0.74 0.76 0.09 0.00 0.00 0.00 0.00 44.72 46.31 1xpn s GLY 42 CO 0.12 0.54 1.03 0.61 0.00 0.00 0.00 173.10 175.40 1xpn n GLY 43 N 1.76 2.62 3.74 0.20 0.00 -1.12 -3.62 105.19 108.78 1xpn n GLY 43 Ca -0.18 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.80 2.54 -0.38 -0.02 0.00 0.05 -4.49 107.32 103.22 1xpn s GLY 44 Ca 0.15 1.09 -0.07 0.00 0.00 0.00 0.00 44.72 45.89 1xpn s GLY 44 CO 0.01 2.01 0.19 0.14 0.00 0.00 0.00 173.10 175.46 1xpn s VAL 45 N -0.04 3.92 -0.39 1.40 1.01 -1.10 -2.82 120.40 122.38 1xpn s VAL 45 Ca 0.55 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1xpn s VAL 45 Cb -0.36 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1xpn s VAL 45 CO 0.39 -0.40 0.28 -0.63 0.00 0.00 0.00 175.10 174.74 1xpn s ILE 46 N 1.38 5.19 -0.31 2.22 1.01 -0.57 0.25 121.20 130.37 1xpn s ILE 46 Ca 0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1xpn s ILE 46 Cb -0.22 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1xpn s ILE 46 CO 0.02 -0.23 0.17 0.20 0.00 0.00 0.00 174.94 175.09 1xpn s ASN 47 N 1.68 5.64 -0.18 3.58 -0.87 0.24 0.23 114.94 125.26 1xpn s ASN 47 Ca 0.05 -0.47 -0.00 0.00 -1.57 0.00 0.00 52.86 50.87 1xpn s ASN 47 Cb -0.19 -2.03 0.01 0.00 -0.02 0.00 0.00 41.25 39.02 1xpn s ASN 47 CO 0.10 -0.19 -0.16 -0.83 -2.57 0.00 0.00 177.10 173.45 1xpn s GLY 48 N 1.64 1.46 -0.42 0.66 0.00 0.75 -0.04 107.32 111.36 1xpn s GLY 48 Ca 0.05 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.47 1xpn s GLY 48 CO 0.07 0.20 0.33 0.99 0.00 0.00 0.00 173.10 174.70 1xpn s ASP 49 N 1.14 6.13 -0.03 1.64 1.01 -0.81 -1.30 116.67 124.44 1xpn s ASP 49 Ca 0.01 -0.94 -0.22 0.00 0.71 0.00 0.00 52.55 52.12 1xpn s ASP 49 Cb -0.14 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1xpn s ASP 49 CO -0.06 -0.50 0.63 -0.22 0.21 0.00 0.00 175.17 175.23 1xpn s LEU 50 N 1.74 4.37 -0.29 1.23 2.96 -0.80 0.17 118.68 128.06 1xpn s LEU 50 Ca 0.06 1.16 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 1xpn s LEU 50 Cb -0.20 -2.98 0.16 0.00 0.50 0.00 0.00 46.19 43.68 1xpn s LEU 50 CO 0.10 0.01 1.03 -0.72 -1.32 0.00 0.00 176.35 175.45 1xpn s TYR 51 N 0.22 -0.52 -0.08 5.38 1.13 -0.67 -4.63 117.35 118.19 1xpn s TYR 51 Ca 0.33 0.98 0.04 0.00 -1.41 0.00 0.00 57.07 57.01 1xpn s TYR 51 Cb -0.18 0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 40.98 1xpn s TYR 51 CO 0.17 -0.26 -0.20 -0.51 -2.51 0.00 0.00 175.55 172.25 1xpn s LEU 52 N 1.68 2.37 -0.10 -3.49 1.43 0.07 -4.14 118.68 116.49 1xpn s LEU 52 Ca -0.06 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 1xpn s LEU 52 Cb -0.04 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1xpn s LEU 52 CO -0.15 0.23 0.87 0.42 0.23 0.00 0.00 176.35 177.95 1xpn s THR 53 N -0.08 4.89 0.68 5.49 -4.23 -1.26 -0.80 115.64 120.33 1xpn s THR 53 Ca -0.04 1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 62.12 1xpn s THR 53 Cb -0.14 -4.19 -0.00 0.00 1.34 0.00 0.00 72.50 69.50 1xpn s THR 53 CO 0.04 0.10 1.06 -0.44 -0.54 0.00 0.00 174.62 174.84 1xpn s SER 54 N 1.03 5.45 0.01 3.99 0.01 0.89 -4.88 113.70 120.20 1xpn s SER 54 Ca 0.43 1.66 0.17 0.00 1.31 0.00 0.00 55.95 59.52 1xpn s SER 54 Cb -0.18 -2.50 0.73 0.00 0.21 0.00 0.00 66.02 64.27 1xpn s SER 54 CO 0.18 -1.40 1.55 0.00 0.41 0.00 0.00 173.24 173.98 1xpn n ALA 55 N -2.92 1.77 0.54 1.44 0.00 -1.26 -0.81 120.51 119.27 1xpn n ALA 55 Ca 0.08 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1xpn n ALA 55 Cb 0.53 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.94 1xpn n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xpn n SER 56 N -1.54 2.56 -2.35 0.00 3.41 -1.26 -4.96 113.62 109.48 1xpn n SER 56 Ca 0.04 -1.96 -0.05 0.00 -0.26 0.00 0.00 58.87 56.64 1xpn n SER 56 Cb 0.20 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 57 N 1.28 -0.40 3.31 5.00 0.00 0.01 -5.07 105.19 109.32 1xpn n GLY 57 Ca 0.17 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.12 -0.22 -0.31 4.61 0.00 -1.24 -4.92 121.76 116.56 1xpn s ALA 58 Ca 0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 1xpn s ALA 58 Cb -0.02 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1xpn s ALA 58 CO 0.38 -0.62 0.08 0.42 0.00 0.00 0.00 175.76 176.02 1xpn s ILE 59 N -3.91 3.77 -0.43 0.00 1.01 -1.26 -0.08 121.20 120.30 1xpn s ILE 59 Ca 0.12 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 1xpn s ILE 59 Cb 0.03 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.50 1xpn s ILE 59 CO -0.05 -0.02 0.53 -1.10 0.00 0.00 0.00 174.94 174.31 1xpn s GLN 60 N 1.44 3.17 0.32 2.79 -1.52 0.02 -4.93 119.66 120.94 1xpn s GLN 60 Ca 0.00 -0.62 0.16 0.00 -1.95 0.00 0.00 55.36 52.95 1xpn s GLN 60 Cb -0.18 -3.97 0.37 0.00 -0.22 0.00 0.00 33.01 29.01 1xpn s GLN 60 CO 0.02 -0.94 1.59 -0.22 -0.25 0.00 0.00 175.29 175.48 1xpn h LYS 61 N 8.81 0.00 -2.16 2.91 1.63 -1.84 0.22 116.57 126.13 1xpn h LYS 61 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1xpn h LYS 61 Cb 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1xpn h LYS 61 CO 0.85 0.47 0.00 0.41 -3.45 0.00 0.00 179.45 177.73 1xpn n GLY 62 N 0.71 -1.42 3.60 5.01 0.00 -1.26 -3.95 105.19 107.87 1xpn n GLY 62 Ca 0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1xpn n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 63 N -0.27 4.59 -1.20 2.61 2.01 -1.26 -4.19 115.64 117.93 1xpn s THR 63 Ca 0.00 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 1xpn s THR 63 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1xpn s THR 63 CO 0.00 0.46 1.04 0.59 -0.69 0.00 0.00 174.62 176.03 1xpn n ASN 64 N 3.60 -5.60 -4.48 3.53 3.02 -1.09 -5.01 115.26 109.24 1xpn n ASN 64 Ca -0.17 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 53.57 1xpn n ASN 64 Cb 0.52 -4.54 -0.13 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.29 3.27 -0.22 3.41 2.01 -1.26 -4.85 115.64 114.71 1xpn s THR 65 Ca 0.48 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1xpn s THR 65 Cb -0.21 -2.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 1xpn s THR 65 CO 0.65 0.57 0.89 -1.59 -0.69 0.00 0.00 174.62 174.45 1xpn s LYS 66 N -0.41 4.24 -0.32 4.92 -2.85 -1.26 -0.52 119.74 123.53 1xpn s LYS 66 Ca 0.05 1.09 -0.12 0.00 -1.00 0.00 0.00 55.97 55.99 1xpn s LYS 66 Cb -0.12 -3.63 -0.03 0.00 -2.06 0.00 0.00 37.83 32.00 1xpn s LYS 66 CO 0.02 -0.50 0.23 0.08 0.10 0.00 0.00 175.35 175.28 1xpn s VAL 67 N 2.77 5.29 -0.22 1.79 1.01 0.97 -3.97 120.40 128.03 1xpn s VAL 67 Ca 0.39 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1xpn s VAL 67 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1xpn s VAL 67 CO 0.08 0.06 0.11 0.00 0.00 0.00 0.00 175.10 175.35 1xpn s ALA 68 N 1.75 3.46 -0.12 5.51 0.00 0.43 -0.36 121.76 132.43 1xpn s ALA 68 Ca 0.07 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1xpn s ALA 68 Cb -0.17 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1xpn s ALA 68 CO 0.11 -0.08 -0.17 -1.17 0.00 0.00 0.00 175.76 174.45 1xpn s LEU 69 N 0.84 2.48 0.05 0.00 0.20 0.17 0.18 118.68 122.60 1xpn s LEU 69 Ca 0.05 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.46 1xpn s LEU 69 Cb -0.13 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 1xpn s LEU 69 CO 0.02 0.16 -0.04 -1.83 -0.29 0.00 0.00 176.35 174.37 1xpn s GLU 70 N 0.37 0.53 0.25 1.98 -1.05 -0.70 -0.96 118.70 119.12 1xpn s GLU 70 Ca -0.13 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.41 1xpn s GLU 70 Cb -0.17 0.06 -0.09 0.00 -0.44 0.00 0.00 34.13 33.49 1xpn s GLU 70 CO 0.06 -0.06 1.32 -2.14 0.95 0.00 0.00 175.26 175.40 1xpn s PRO 71 N -2.80 4.37 -0.55 -4.83 0.02 -1.26 -0.06 135.00 129.89 1xpn s PRO 71 Ca -0.02 2.13 -0.28 0.00 0.02 0.00 0.00 61.00 62.85 1xpn s PRO 71 Cb -0.01 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.39 1xpn s PRO 71 CO -0.05 -0.24 1.29 0.00 -0.33 0.00 0.00 177.00 177.67 1xpn s ALA 72 N -0.31 2.93 0.36 -1.55 0.00 -0.04 -4.78 121.76 118.37 1xpn s ALA 72 Ca 0.54 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1xpn s ALA 72 Cb -0.38 -4.05 -0.00 0.00 0.00 0.00 0.00 23.12 18.68 1xpn s ALA 72 CO 0.43 -2.73 0.48 0.95 0.00 0.00 0.00 175.76 174.90 1xpn s THR 73 N 5.40 3.63 -0.19 0.00 -4.23 -1.26 -4.90 115.64 114.10 1xpn s THR 73 Ca 0.48 -1.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.17 1xpn s THR 73 Cb -0.09 -3.25 0.23 0.00 1.34 0.00 0.00 72.50 70.73 1xpn s THR 73 CO 0.26 -0.10 1.63 -1.28 -0.54 0.00 0.00 174.62 174.58 1xpn h SER 74 N 0.85 0.00 0.07 3.99 0.87 -1.97 -3.22 113.55 114.14 1xpn h SER 74 Ca -0.44 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.91 1xpn h SER 74 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1xpn h SER 74 CO 0.51 0.21 -0.78 0.22 -0.53 0.00 0.00 176.83 176.46 1xpn h TYR 75 N 0.00 0.81 0.00 2.24 3.20 -1.96 -3.20 116.97 118.06 1xpn h TYR 75 Ca -0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1xpn h TYR 75 Cb 1.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1xpn h TYR 75 CO 0.00 1.17 0.00 -0.12 -1.64 0.00 0.00 178.16 177.57 1xpn n MET 76 N -3.87 0.50 -0.29 1.82 1.56 -1.21 -3.23 117.12 112.40 1xpn n MET 76 Ca -0.06 0.04 0.02 0.00 -0.27 0.00 0.00 57.70 57.43 1xpn n MET 76 Cb 0.74 -1.50 0.15 0.00 2.15 0.00 0.00 33.22 34.76 1xpn n MET 76 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1xpn h LYS 77 N 0.00 0.79 -0.18 2.12 3.64 -1.67 -0.08 116.57 121.19 1xpn h LYS 77 Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1xpn h LYS 77 Cb 0.14 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xpn h LYS 77 CO 0.00 0.52 -0.09 0.00 -2.27 0.00 0.00 179.45 177.61 1xpn h ALA 78 N 1.43 0.25 -0.42 5.00 0.00 -1.81 -2.53 119.26 121.19 1xpn h ALA 78 Ca 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xpn h ALA 78 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xpn h ALA 78 CO -0.22 0.08 0.05 -0.92 0.00 0.00 0.00 179.25 178.23 1xpn h TYR 79 N 0.06 0.67 -0.47 0.00 3.20 -1.69 -1.63 116.97 117.12 1xpn h TYR 79 Ca 0.04 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1xpn h TYR 79 Cb 0.57 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1xpn h TYR 79 CO 0.06 0.61 0.14 -0.92 -1.64 0.00 0.00 178.16 176.42 1xpn h TYR 80 N 0.62 0.69 0.00 -3.82 3.20 -0.90 -1.86 116.97 114.90 1xpn h TYR 80 Ca 0.13 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1xpn h TYR 80 Cb 0.32 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1xpn h TYR 80 CO 0.01 0.57 -0.37 0.00 -1.64 0.00 0.00 178.16 176.73 1xpn h ALA 81 N 1.49 0.98 -0.10 1.82 0.00 -0.87 -2.42 119.26 120.16 1xpn h ALA 81 Ca 0.16 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1xpn h ALA 81 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xpn h ALA 81 CO -0.01 0.46 -0.37 0.87 0.00 0.00 0.00 179.25 180.20 1xpn h LYS 82 N 0.00 0.43 0.00 0.00 1.79 -0.80 -3.45 116.57 114.53 1xpn h LYS 82 Ca -0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1xpn h LYS 82 Cb 0.91 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1xpn h LYS 82 CO 0.05 0.95 0.00 1.19 -1.08 0.00 0.00 179.45 180.56 1xpn n PHE 83 N -4.35 0.00 0.00 -1.35 3.01 -0.85 -5.07 117.46 108.85 1xpn n PHE 83 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1xpn n PHE 83 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 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 3.41 3.48 3.42 1.37 0.00 -0.92 -3.74 105.19 112.22 1xpn n GLY 84 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1xpn n GLY 84 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xpn n ASN 85 N 5.88 4.76 -4.39 1.61 0.23 -1.25 -4.56 115.26 117.54 1xpn n ASN 85 Ca 0.00 -2.91 -0.38 0.00 -0.53 0.00 0.00 54.58 50.76 1xpn n ASN 85 Cb 0.00 -1.73 -0.12 0.00 -2.08 0.00 0.00 39.78 35.85 1xpn n ASN 85 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1xpn s LEU 86 N 3.76 4.04 0.53 -4.53 0.20 -0.21 -4.94 118.68 117.53 1xpn s LEU 86 Ca 0.52 -0.65 -0.20 0.00 0.69 0.00 0.00 54.13 54.50 1xpn s LEU 86 Cb 0.06 -1.95 -0.06 0.00 -0.43 0.00 0.00 46.19 43.80 1xpn s LEU 86 CO 0.05 -0.21 1.13 -0.62 -0.29 0.00 0.00 176.35 176.40 1xpn s ASP 87 N 1.56 5.83 0.59 3.68 -1.08 -1.26 -1.10 116.67 124.89 1xpn s ASP 87 Ca 0.03 2.18 0.36 0.00 -0.52 0.00 0.00 52.55 54.60 1xpn s ASP 87 Cb -0.17 -2.58 1.85 0.00 -1.46 0.00 0.00 42.92 40.56 1xpn s ASP 87 CO 0.05 -1.15 2.19 0.00 0.52 0.00 0.00 175.17 176.78 1xpn h ALA 88 N 1.34 1.13 -0.20 3.66 0.00 -0.62 -1.36 119.26 123.21 1xpn h ALA 88 Ca -0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1xpn h ALA 88 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1xpn h ALA 88 CO 0.57 0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1xpn h ALA 89 N 1.96 1.43 -0.57 0.00 0.00 -1.79 -2.60 119.26 117.68 1xpn h ALA 89 Ca -0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 1xpn h ALA 89 Cb 0.22 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 1xpn h ALA 89 CO 0.00 0.40 0.18 0.36 0.00 0.00 0.00 179.25 180.19 1xpn n LYS 90 N -4.25 2.34 -1.93 0.00 2.85 -0.52 -4.93 118.16 111.71 1xpn n LYS 90 Ca -0.00 -3.09 -0.39 0.00 -1.05 0.00 0.00 58.31 53.79 1xpn n LYS 90 Cb 0.28 -1.98 -0.03 0.00 -0.65 0.00 0.00 35.03 32.66 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 -3.18 2.60 -0.20 -1.58 6.06 -0.98 -4.90 118.95 116.77 1xpn s ARG 91 Ca 0.49 0.88 -0.29 0.00 -2.50 0.00 0.00 55.73 54.31 1xpn s ARG 91 Cb 0.42 -4.41 -0.00 0.00 0.06 0.00 0.00 34.95 31.02 1xpn s ARG 91 CO 0.06 -2.74 1.18 0.34 -2.50 0.00 0.00 175.30 171.64 1xpn s ASP 92 N 8.73 6.99 0.00 -2.12 2.15 -1.26 -4.90 116.67 126.25 1xpn s ASP 92 Ca 0.75 1.55 0.28 0.00 0.43 0.00 0.00 52.55 55.57 1xpn s ASP 92 Cb -0.15 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 41.04 1xpn s ASP 92 CO 0.23 -0.74 1.83 -0.81 -0.17 0.00 0.00 175.17 175.51 1xpn n PRO 93 N 6.54 0.12 0.03 4.34 -0.05 -1.26 -3.90 135.00 140.82 1xpn n PRO 93 Ca 0.13 -0.03 -0.19 0.00 -0.05 0.00 0.00 63.50 63.37 1xpn n PRO 93 Cb 0.45 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.28 1xpn n PRO 93 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 1xpn h ASP 94 N 0.06 0.59 -3.63 3.54 3.58 -2.02 -3.41 116.42 115.14 1xpn h ASP 94 Ca 0.00 -0.81 -0.60 0.00 0.42 0.00 0.00 57.03 56.03 1xpn h ASP 94 Cb 0.46 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 41.22 1xpn h ASP 94 CO 0.00 1.34 0.54 -0.69 -2.88 0.00 0.00 179.24 177.55 1xpn s VAL 95 N -2.99 4.53 0.08 2.25 1.01 -1.25 -5.04 120.40 118.99 1xpn s VAL 95 Ca -0.13 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1xpn s VAL 95 Cb 0.03 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1xpn s VAL 95 CO 0.85 -0.75 0.32 -1.10 0.00 0.00 0.00 175.10 174.42 1xpn s GLN 96 N 3.60 3.60 -0.11 2.72 -0.21 -1.26 -4.92 119.66 123.08 1xpn s GLN 96 Ca 0.36 -0.11 -0.31 0.00 0.02 0.00 0.00 55.36 55.32 1xpn s GLN 96 Cb -0.11 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.85 1xpn s GLN 96 CO 0.24 0.55 2.05 -2.30 -2.12 0.00 0.00 175.29 173.71 1xpn n PRO 97 N 0.51 2.24 -1.40 2.91 -0.02 -1.26 -4.96 135.00 133.03 1xpn n PRO 97 Ca -0.06 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1xpn n PRO 97 Cb 0.52 -2.94 0.19 0.00 -0.02 0.00 0.00 33.50 31.26 1xpn n PRO 97 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xpn s PRO 98 N 5.13 -0.03 -0.54 0.52 0.04 -1.26 -4.92 135.00 133.95 1xpn s PRO 98 Ca 0.96 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.74 1xpn s PRO 98 Cb -0.51 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1xpn s PRO 98 CO 0.43 -2.93 1.90 0.08 0.04 0.00 0.00 177.00 176.52 1xpn s VAL 99 N -3.27 3.35 0.56 -0.36 1.01 -1.26 -4.96 120.40 115.47 1xpn s VAL 99 Ca 0.69 0.25 0.09 0.00 0.00 0.00 0.00 61.98 63.01 1xpn s VAL 99 Cb -0.11 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.56 1xpn s VAL 99 CO 0.55 -0.71 0.68 -0.76 0.00 0.00 0.00 175.10 174.87 1xpn s LEU 100 N 8.91 3.02 0.65 3.92 1.43 -1.26 -5.11 118.68 130.24 1xpn s LEU 100 Ca 0.73 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 1xpn s LEU 100 Cb -0.15 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1xpn s LEU 100 CO 0.24 -1.26 1.07 1.51 0.23 0.00 0.00 176.35 178.14 1xpn s ASP 101 N -4.55 5.46 0.00 2.29 -4.77 -1.26 -4.95 116.67 108.88 1xpn s ASP 101 Ca 0.54 1.78 0.25 0.00 -3.30 0.00 0.00 52.55 51.83 1xpn s ASP 101 Cb -0.05 -2.52 1.13 0.00 -1.09 0.00 0.00 42.92 40.39 1xpn s ASP 101 CO 0.34 -1.39 1.82 -2.65 0.70 0.00 0.00 175.17 173.99 1xpn n PRO 102 N -2.54 0.09 0.17 2.11 -0.02 -1.26 -3.36 135.00 130.20 1xpn n PRO 102 Ca 0.09 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1xpn n PRO 102 Cb 0.53 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.71 1xpn n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xpn h ARG 103 N 0.00 0.00 -0.13 -0.52 2.47 -2.00 -3.24 114.38 110.96 1xpn h ARG 103 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1xpn h ARG 103 Cb 0.38 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1xpn h ARG 103 CO 0.00 0.44 -0.13 0.00 0.56 0.00 0.00 179.97 180.84 1xpn h ARG 104 N 0.00 -0.07 0.00 0.04 2.47 -1.96 -0.89 114.38 113.98 1xpn h ARG 104 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xpn h ARG 104 Cb 1.12 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1xpn h ARG 104 CO 0.06 -0.05 0.00 0.00 0.56 0.00 0.00 179.97 180.54 1xpn n ALA 105 N -2.86 1.67 -0.01 0.04 0.00 -1.22 -0.88 120.51 117.25 1xpn n ALA 105 Ca -0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1xpn n ALA 105 Cb 0.08 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 1xpn n ALA 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xpn h THR 106 N 0.00 0.88 0.00 0.00 2.02 -1.26 -3.40 112.91 111.16 1xpn h THR 106 Ca 0.00 -2.34 -0.04 0.00 0.77 0.00 0.00 66.41 64.80 1xpn h THR 106 Cb 0.07 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1xpn h THR 106 CO 0.00 0.69 -1.52 -1.22 0.37 0.00 0.00 175.52 173.84 1xpn n TYR 107 N -3.88 0.54 -2.05 3.16 4.01 -0.59 -4.82 117.16 113.53 1xpn n TYR 107 Ca -0.28 0.16 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 1xpn n TYR 107 Cb 0.91 -0.80 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 1xpn n TYR 107 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xpn s VAL 108 N -3.32 3.61 -0.19 -0.72 1.01 -0.06 -4.63 120.40 116.11 1xpn s VAL 108 Ca -0.04 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 1xpn s VAL 108 Cb 0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1xpn s VAL 108 CO 0.84 -0.26 0.11 -0.60 0.00 0.00 0.00 175.10 175.19 1xpn s ARG 109 N 4.77 4.05 -0.22 2.72 3.52 -0.14 -4.90 118.95 128.75 1xpn s ARG 109 Ca 0.74 -0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 56.02 1xpn s ARG 109 Cb -0.26 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1xpn s ARG 109 CO 0.30 0.33 0.03 -1.21 -0.81 0.00 0.00 175.30 173.94 1xpn s GLU 110 N 0.25 3.63 -0.21 5.12 2.02 -1.26 -0.65 118.70 127.59 1xpn s GLU 110 Ca 0.07 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 54.56 1xpn s GLU 110 Cb -0.12 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.96 1xpn s GLU 110 CO -0.01 -0.08 -0.13 0.00 0.02 0.00 0.00 175.26 175.07 1xpn s ALA 111 N 1.26 2.53 -0.23 5.21 0.00 0.51 -4.90 121.76 126.13 1xpn s ALA 111 Ca 0.04 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 1xpn s ALA 111 Cb -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1xpn s ALA 111 CO 0.02 -0.60 0.94 0.99 0.00 0.00 0.00 175.76 177.11 1xpn s THR 112 N 1.30 4.75 0.59 0.00 2.01 -1.26 -0.02 115.64 123.01 1xpn s THR 112 Ca 0.02 1.81 -0.19 0.00 0.31 0.00 0.00 61.69 63.64 1xpn s THR 112 Cb -0.15 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1xpn s THR 112 CO -0.08 -0.13 1.26 0.42 -0.69 0.00 0.00 174.62 175.40 1xpn s THR 113 N 3.01 2.35 0.00 -0.82 -4.23 0.32 -4.87 115.64 111.40 1xpn s THR 113 Ca 0.40 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1xpn s THR 113 Cb -0.15 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1xpn s THR 113 CO 0.07 -0.04 0.00 -0.90 -0.54 0.00 0.00 174.62 173.21 1xpn n ASP 114 N -1.51 -0.13 -0.13 3.99 5.75 -1.19 -2.65 116.55 120.68 1xpn n ASP 114 Ca 0.13 -0.36 0.06 0.00 -0.01 0.00 0.00 54.79 54.61 1xpn n ASP 114 Cb 0.48 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.94 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1xpn h GLN 115 N 0.00 0.68 0.02 0.11 5.75 -1.94 -3.19 115.11 116.54 1xpn h GLN 115 Ca 0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1xpn h GLN 115 Cb 0.00 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.40 1xpn h GLN 115 CO 0.00 0.45 -0.01 -0.91 -2.65 0.00 0.00 178.83 175.71 1xpn h ASN 116 N 0.70 -0.02 0.00 -0.69 2.35 -1.91 -3.45 115.58 112.56 1xpn h ASN 116 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1xpn h ASN 116 Cb 0.16 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xpn h ASN 116 CO -0.08 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 1xpn n GLY 117 N 1.65 0.00 3.40 2.83 0.00 -1.21 -4.45 105.19 107.41 1xpn n GLY 117 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.44 -0.03 1.61 3.52 -1.26 -1.90 118.95 122.33 1xpn s ARG 118 Ca 0.00 -1.48 -0.02 0.00 -0.13 0.00 0.00 55.73 54.11 1xpn s ARG 118 Cb 0.00 -1.72 0.01 0.00 -1.56 0.00 0.00 34.95 31.69 1xpn s ARG 118 CO 0.00 0.37 0.07 -0.59 -0.81 0.00 0.00 175.30 174.34 1xpn s PHE 119 N -1.70 -0.06 -0.05 5.12 -0.71 -0.42 -3.16 117.98 117.00 1xpn s PHE 119 Ca 0.19 0.19 0.04 0.00 -1.04 0.00 0.00 56.93 56.31 1xpn s PHE 119 Cb -0.08 -0.03 -0.00 0.00 -1.21 0.00 0.00 43.02 41.70 1xpn s PHE 119 CO 0.09 -0.06 -0.17 -0.51 -1.34 0.00 0.00 175.22 173.23 1xpn s ASP 120 N 0.34 2.21 0.12 1.98 1.11 -1.26 -0.18 116.67 120.99 1xpn s ASP 120 Ca -0.03 -0.37 0.09 0.00 0.18 0.00 0.00 52.55 52.43 1xpn s ASP 120 Cb -0.04 -0.68 -0.04 0.00 1.07 0.00 0.00 42.92 43.24 1xpn s ASP 120 CO -0.01 0.15 -0.19 -0.36 1.18 0.00 0.00 175.17 175.93 1xpn s PHE 121 N 0.11 2.50 0.18 4.23 0.08 0.14 -4.99 117.98 120.22 1xpn s PHE 121 Ca -0.06 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1xpn s PHE 121 Cb -0.12 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1xpn s PHE 121 CO 0.03 0.39 0.17 0.16 -0.10 0.00 0.00 175.22 175.87 1xpn s ASP 122 N -2.17 0.15 -1.01 1.36 -4.77 -1.26 -1.51 116.67 107.46 1xpn s ASP 122 Ca 0.18 -1.22 -0.06 0.00 -3.30 0.00 0.00 52.55 48.15 1xpn s ASP 122 Cb -0.10 0.39 0.01 0.00 -1.09 0.00 0.00 42.92 42.12 1xpn s ASP 122 CO 0.10 -0.86 0.74 1.57 0.70 0.00 0.00 175.17 177.42 1xpn n HIS 123 N -0.23 -1.89 -3.61 2.11 -0.00 -1.19 -4.95 115.22 105.47 1xpn n HIS 123 Ca -0.02 0.63 -0.38 0.00 -0.00 0.00 0.00 57.72 57.96 1xpn n HIS 123 Cb 0.64 -3.79 -0.11 0.00 -0.00 0.00 0.00 29.99 26.74 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1xpn s ILE 124 N -3.16 5.25 0.61 3.57 1.09 -1.13 -4.33 121.20 123.10 1xpn s ILE 124 Ca 0.36 0.15 -0.17 0.00 -1.10 0.00 0.00 60.65 59.89 1xpn s ILE 124 Cb -0.16 -3.49 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1xpn s ILE 124 CO 0.45 0.27 1.13 -2.16 -0.10 0.00 0.00 174.94 174.53 1xpn s PRO 125 N 1.68 3.00 0.39 2.79 0.04 -1.26 -0.77 135.00 140.87 1xpn s PRO 125 Ca 0.07 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1xpn s PRO 125 Cb -0.16 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1xpn s PRO 125 CO 0.10 -1.12 1.26 0.54 0.04 0.00 0.00 177.00 177.82 1xpn s ASN 126 N -2.15 6.45 0.00 6.66 4.22 -1.26 -4.88 114.94 123.98 1xpn s ASN 126 Ca 0.70 2.56 0.00 0.00 -2.14 0.00 0.00 52.86 53.99 1xpn s ASN 126 Cb -0.23 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.67 1xpn s ASN 126 CO 0.35 -0.74 0.00 0.61 -2.04 0.00 0.00 177.10 175.28 1xpn n GLY 127 N 0.70 -0.62 3.73 0.45 0.00 -0.08 -4.96 105.19 104.40 1xpn n GLY 127 Ca 0.03 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.70 5.22 0.15 2.61 2.01 -1.26 0.26 115.64 122.92 1xpn s THR 128 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1xpn s THR 128 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1xpn s THR 128 CO 0.00 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.06 1xpn s TYR 129 N 0.05 1.17 -0.22 4.92 2.02 0.14 -0.86 117.35 124.55 1xpn s TYR 129 Ca 0.08 -0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 55.82 1xpn s TYR 129 Cb -0.12 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 1xpn s TYR 129 CO -0.00 -0.10 -0.01 0.71 -1.57 0.00 0.00 175.55 174.58 1xpn s TYR 130 N -3.54 3.00 -0.50 2.71 2.02 0.92 -1.24 117.35 120.72 1xpn s TYR 130 Ca 0.19 -0.74 -0.17 0.00 -0.37 0.00 0.00 57.07 55.98 1xpn s TYR 130 Cb 0.05 -2.13 0.07 0.00 -0.40 0.00 0.00 41.96 39.55 1xpn s TYR 130 CO 0.01 -0.45 0.51 0.42 -1.57 0.00 0.00 175.55 174.47 1xpn s ILE 131 N 1.43 5.06 -0.21 2.71 1.01 0.02 -1.72 121.20 129.50 1xpn s ILE 131 Ca 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1xpn s ILE 131 Cb -0.14 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1xpn s ILE 131 CO -0.01 -0.72 -0.09 -0.44 0.00 0.00 0.00 174.94 173.68 1xpn s SER 132 N 2.76 3.99 -0.07 3.58 0.01 0.13 0.07 113.70 124.17 1xpn s SER 132 Ca 0.09 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1xpn s SER 132 Cb -0.23 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1xpn s SER 132 CO 0.09 -0.03 -0.17 -0.55 0.41 0.00 0.00 173.24 172.98 1xpn s SER 133 N 1.40 2.28 -0.83 2.44 0.15 -0.28 -0.43 113.70 118.43 1xpn s SER 133 Ca 0.05 -0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 1xpn s SER 133 Cb -0.14 -0.90 0.18 0.00 -1.71 0.00 0.00 66.02 63.44 1xpn s SER 133 CO -0.06 0.11 0.87 -0.70 1.20 0.00 0.00 173.24 174.66 1xpn s GLU 134 N 0.35 3.53 -0.41 5.44 2.12 -1.25 -0.42 118.70 128.06 1xpn s GLU 134 Ca -0.12 -2.10 -0.05 0.00 0.36 0.00 0.00 54.97 53.06 1xpn s GLU 134 Cb -0.15 -4.57 0.10 0.00 0.26 0.00 0.00 34.13 29.77 1xpn s GLU 134 CO 0.05 -1.47 0.21 -1.17 -0.54 0.00 0.00 175.26 172.33 1xpn s LEU 135 N 1.27 5.15 -0.03 2.70 2.96 0.31 -4.84 118.68 126.21 1xpn s LEU 135 Ca 0.22 -1.85 0.02 0.00 -0.22 0.00 0.00 54.13 52.30 1xpn s LEU 135 Cb -0.10 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1xpn s LEU 135 CO -0.07 -0.53 -0.09 0.28 -1.32 0.00 0.00 176.35 174.61 1xpn s THR 136 N 1.23 0.80 0.28 3.68 -1.32 -1.26 -1.04 115.64 118.01 1xpn s THR 136 Ca 0.06 -0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 1xpn s THR 136 Cb -0.23 -0.72 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1xpn s THR 136 CO -0.02 0.26 0.08 -1.66 -2.21 0.00 0.00 174.62 171.07 1xpn s TRP 137 N 0.28 1.69 -0.17 9.09 -2.14 0.82 -4.94 118.94 123.58 1xpn s TRP 137 Ca -0.05 -1.11 0.00 0.00 2.66 0.00 0.00 56.10 57.61 1xpn s TRP 137 Cb -0.10 -1.03 0.00 0.00 -3.10 0.00 0.00 33.47 29.24 1xpn s TRP 137 CO 0.01 -0.22 -0.16 -1.54 -2.66 0.00 0.00 176.95 172.38 1xpn s SER 138 N -3.38 3.50 -0.03 -2.66 1.04 -1.26 -0.68 113.70 110.24 1xpn s SER 138 Ca 0.37 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1xpn s SER 138 Cb 0.08 -1.54 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 1xpn s SER 138 CO 0.14 0.05 -0.17 0.00 0.98 0.00 0.00 173.24 174.25 1xpn s ALA 139 N 1.01 1.47 -0.45 5.32 0.00 0.03 -4.93 121.76 124.20 1xpn s ALA 139 Ca -0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 1xpn s ALA 139 Cb -0.15 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1xpn s ALA 139 CO -0.04 0.30 0.90 -0.65 0.00 0.00 0.00 175.76 176.28 1xpn s GLN 140 N -0.15 3.55 -0.46 0.00 -0.21 -1.26 0.29 119.66 121.42 1xpn s GLN 140 Ca 0.01 0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.43 1xpn s GLN 140 Cb -0.09 -3.91 0.08 0.00 1.00 0.00 0.00 33.01 30.09 1xpn s GLN 140 CO 0.01 -1.18 0.35 -1.12 -2.12 0.00 0.00 175.29 171.23 1xpn s SER 141 N 2.21 5.94 -1.44 5.90 0.01 0.12 -4.50 113.70 121.93 1xpn s SER 141 Ca 0.36 -1.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.05 1xpn s SER 141 Cb -0.11 -2.10 0.05 0.00 0.21 0.00 0.00 66.02 64.07 1xpn s SER 141 CO 0.25 -0.63 1.01 0.47 0.41 0.00 0.00 173.24 174.75 1xpn n ASP 142 N 5.08 -4.68 0.00 2.44 8.00 -1.26 -1.50 116.55 124.64 1xpn n ASP 142 Ca -0.11 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1xpn n ASP 142 Cb 0.43 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xpn n GLY 143 N -1.74 3.19 3.50 0.44 0.00 -1.26 -5.00 105.19 104.31 1xpn n GLY 143 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.48 3.17 -0.29 1.61 1.02 -0.56 -5.00 119.74 119.22 1xpn s LYS 144 Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1xpn s LYS 144 Cb 0.00 -3.96 -0.02 0.00 -0.52 0.00 0.00 37.83 33.34 1xpn s LYS 144 CO 0.00 -0.91 1.61 0.99 -0.92 0.00 0.00 175.35 176.12 1xpn s THR 145 N 2.39 3.70 0.12 2.17 2.01 -1.26 0.13 115.64 124.90 1xpn s THR 145 Ca 0.16 0.76 0.04 0.00 0.31 0.00 0.00 61.69 62.96 1xpn s THR 145 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1xpn s THR 145 CO 0.16 -0.42 0.09 0.27 -0.69 0.00 0.00 174.62 174.03 1xpn s ILE 146 N 5.65 4.45 -0.38 1.82 -4.36 0.14 -4.88 121.20 123.64 1xpn s ILE 146 Ca 0.71 -0.94 -0.15 0.00 -0.26 0.00 0.00 60.65 60.02 1xpn s ILE 146 Cb -0.22 -3.20 0.01 0.00 1.25 0.00 0.00 42.46 40.30 1xpn s ILE 146 CO 0.31 0.02 0.31 -0.89 0.24 0.00 0.00 174.94 174.93 1xpn s THR 147 N -1.54 5.23 0.08 8.37 2.01 -1.26 -0.79 115.64 127.73 1xpn s THR 147 Ca 0.30 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1xpn s THR 147 Cb -0.11 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1xpn s THR 147 CO 0.22 -0.22 0.11 -1.61 -0.69 0.00 0.00 174.62 172.44 1xpn s GLU 148 N 1.81 3.01 0.00 4.92 2.02 0.15 -4.31 118.70 126.30 1xpn s GLU 148 Ca 0.07 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1xpn s GLU 148 Cb -0.18 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1xpn s GLU 148 CO 0.11 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1xpn n GLY 149 N 0.37 -0.44 0.00 -1.39 0.00 -1.26 -0.12 105.19 102.34 1xpn n GLY 149 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.49 -0.68 3.52 -0.02 0.00 -0.21 0.11 105.19 107.42 1xpn n GLY 150 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.00 4.12 -0.12 2.61 2.01 -0.26 -0.53 115.64 119.48 1xpn s THR 151 Ca 0.00 0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 1xpn s THR 151 Cb 0.00 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 1xpn s THR 151 CO 0.00 -1.46 0.36 0.54 -0.69 0.00 0.00 174.62 173.37 1xpn s VAL 152 N 4.65 5.23 -0.20 3.82 0.11 0.44 -1.04 120.40 133.41 1xpn s VAL 152 Ca 0.31 0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 60.04 1xpn s VAL 152 Cb -0.12 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1xpn s VAL 152 CO 0.16 0.41 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.36 1xpn s THR 153 N 0.20 2.96 -0.26 5.04 2.01 -1.26 -1.12 115.64 123.20 1xpn s THR 153 Ca 0.20 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 1xpn s THR 153 Cb -0.14 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 1xpn s THR 153 CO 0.07 0.47 0.03 -0.75 -0.69 0.00 0.00 174.62 173.75 1xpn s LYS 154 N 1.30 3.25 -0.40 4.92 2.47 0.11 -4.84 119.74 126.56 1xpn s LYS 154 Ca 0.04 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.43 1xpn s LYS 154 Cb -0.14 -3.23 0.02 0.00 -1.46 0.00 0.00 37.83 33.02 1xpn s LYS 154 CO -0.05 -0.32 1.11 -1.17 0.16 0.00 0.00 175.35 175.07 1xpn s LEU 155 N 1.50 3.79 -0.15 5.43 2.96 -1.26 -0.80 118.68 130.15 1xpn s LEU 155 Ca 0.04 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1xpn s LEU 155 Cb -0.16 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1xpn s LEU 155 CO 0.00 -1.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.09 1xpn s VAL 156 N 4.05 1.85 -0.21 1.68 1.01 -0.38 -5.00 120.40 123.40 1xpn s VAL 156 Ca 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1xpn s VAL 156 Cb -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1xpn s VAL 156 CO 0.23 0.51 -0.05 0.28 0.00 0.00 0.00 175.10 176.07 1xpn s THR 157 N 1.10 3.32 -0.39 3.92 -1.32 -1.26 0.23 115.64 121.24 1xpn s THR 157 Ca -0.02 -0.51 -0.18 0.00 -1.21 0.00 0.00 61.69 59.77 1xpn s THR 157 Cb -0.14 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1xpn s THR 157 CO -0.06 0.44 0.51 -0.69 -2.21 0.00 0.00 174.62 172.60 1xpn s VAL 158 N 1.36 5.01 0.09 5.08 1.01 0.14 -4.94 120.40 128.15 1xpn s VAL 158 Ca 0.04 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1xpn s VAL 158 Cb -0.14 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1xpn s VAL 158 CO -0.03 -0.34 1.51 0.77 0.00 0.00 0.00 175.10 177.02 1xpn h SER 159 N 8.62 0.49 -0.78 3.32 4.64 -1.96 -0.19 113.55 127.69 1xpn h SER 159 Ca -0.27 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1xpn h SER 159 Cb 1.12 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1xpn h SER 159 CO 0.80 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 178.07 1xpn n GLY 160 N -0.27 2.27 2.34 -0.77 0.00 -1.26 -4.79 105.19 102.71 1xpn n GLY 160 Ca -0.03 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.79 8.02 -4.57 1.61 7.64 -1.26 -4.50 113.62 119.76 1xpn n SER 161 Ca 0.00 -2.78 -0.27 0.00 1.01 0.00 0.00 58.87 56.83 1xpn n SER 161 Cb 0.00 -1.46 -0.11 0.00 -1.01 0.00 0.00 64.21 61.63 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 0.74 1.87 -0.42 1.43 -2.07 -1.26 -4.66 119.66 115.29 1xpn s GLN 162 Ca 0.64 -2.01 -0.28 0.00 -1.82 0.00 0.00 55.36 51.89 1xpn s GLN 162 Cb 0.21 -1.66 -0.01 0.00 -1.09 0.00 0.00 33.01 30.45 1xpn s GLN 162 CO -0.08 0.06 1.73 -2.14 -1.32 0.00 0.00 175.29 173.55 1xpn s PRO 163 N -3.65 3.21 -0.46 9.60 0.02 -1.26 -2.73 135.00 139.73 1xpn s PRO 163 Ca 0.34 1.12 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 1xpn s PRO 163 Cb 0.06 -4.21 0.09 0.00 0.02 0.00 0.00 34.50 30.46 1xpn s PRO 163 CO 0.17 -2.01 0.34 -0.65 -0.33 0.00 0.00 177.00 174.52 1xpn s GLN 164 N 5.84 2.73 -0.32 5.54 -1.52 0.14 -5.00 119.66 127.06 1xpn s GLN 164 Ca 0.73 -1.52 -0.25 0.00 -1.95 0.00 0.00 55.36 52.37 1xpn s GLN 164 Cb -0.18 -3.97 0.01 0.00 -0.22 0.00 0.00 33.01 28.65 1xpn s GLN 164 CO 0.30 -1.07 0.89 0.21 -0.25 0.00 0.00 175.29 175.38 1xpn s LYS 165 N 1.49 3.96 -0.23 2.91 2.20 -1.26 -0.59 119.74 128.22 1xpn s LYS 165 Ca 0.04 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 1xpn s LYS 165 Cb -0.25 -3.75 0.06 0.00 -1.51 0.00 0.00 37.83 32.38 1xpn s LYS 165 CO 0.03 -0.80 -0.07 0.08 -0.36 0.00 0.00 175.35 174.23 1xpn s VAL 166 N 3.25 1.64 -0.42 4.02 1.01 0.94 -4.95 120.40 125.89 1xpn s VAL 166 Ca 0.37 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1xpn s VAL 166 Cb -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1xpn s VAL 166 CO 0.15 -0.02 0.96 -0.76 0.00 0.00 0.00 175.10 175.43 1xpn s LEU 167 N 1.36 3.94 -1.22 3.92 1.02 -1.26 -1.93 118.68 124.51 1xpn s LEU 167 Ca -0.05 0.41 -0.19 0.00 0.02 0.00 0.00 54.13 54.32 1xpn s LEU 167 Cb -0.18 -3.29 0.06 0.00 0.02 0.00 0.00 46.19 42.80 1xpn s LEU 167 CO -0.07 -0.99 1.67 -0.22 0.02 0.00 0.00 176.35 176.77 1xpn s LEU 168 N 3.73 3.73 0.00 1.79 2.96 0.13 -4.80 118.68 126.21 1xpn s LEU 168 Ca 0.39 -2.16 0.00 0.00 -0.22 0.00 0.00 54.13 52.15 1xpn s LEU 168 Cb -0.11 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1xpn s LEU 168 CO 0.23 -1.31 0.00 1.07 -1.32 0.00 0.00 176.35 175.02 1xpn n THR 169 N 6.57 0.00 0.50 3.68 5.66 -1.26 -1.66 114.28 127.77 1xpn n THR 169 Ca 0.45 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.49 1xpn n THR 169 Cb 0.47 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.49 1xpn n THR 169 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88