#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 0.00 -0.27 1.61 0.02 -2.12 -3.28 113.55 109.51 1xpn h SER 2 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1xpn h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xpn h SER 2 CO 0.00 0.06 0.00 -1.54 -1.14 0.00 0.00 176.83 174.21 1xpn n SER 3 N -2.39 2.24 -4.65 3.07 3.41 -1.26 -4.93 113.62 109.11 1xpn n SER 3 Ca 0.02 -1.83 -0.42 0.00 -0.26 0.00 0.00 58.87 56.37 1xpn n SER 3 Cb 0.49 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1xpn n SER 3 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1xpn s HIS 4 N -1.65 1.36 0.00 7.33 2.46 -1.24 -4.96 115.29 118.60 1xpn s HIS 4 Ca 0.33 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.71 1xpn s HIS 4 Cb 0.18 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1xpn s HIS 4 CO 0.26 -4.98 0.00 0.72 -2.47 0.00 0.00 174.74 168.27 1xpn n HIS 5 N 8.37 0.00 -2.77 3.88 -0.00 -1.26 -5.12 115.22 118.32 1xpn n HIS 5 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.53 1xpn n HIS 5 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.36 1xpn n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1xpn s HIS 6 N 0.30 3.88 -1.57 4.41 5.65 -1.26 -4.93 115.29 121.77 1xpn s HIS 6 Ca 0.00 1.81 0.00 0.00 0.25 0.00 0.00 55.06 57.12 1xpn s HIS 6 Cb 0.00 -3.00 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1xpn s HIS 6 CO 0.00 0.32 0.70 1.58 -0.65 0.00 0.00 174.74 176.69 1xpn n HIS 7 N 2.26 0.00 0.00 3.88 -0.00 -1.26 -4.90 115.22 115.21 1xpn n HIS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xpn n HIS 7 Cb 0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1xpn n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xpn n HIS 8 N -0.26 0.00 -3.67 1.57 -0.00 -1.26 -4.51 115.22 107.08 1xpn n HIS 8 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 1xpn n HIS 8 Cb 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 29.99 29.91 1xpn n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 9 N 0.00 0.19 -0.16 4.41 4.02 -1.26 -4.98 115.29 117.51 1xpn s HIS 9 Ca 0.00 0.06 0.14 0.00 1.02 0.00 0.00 55.06 56.28 1xpn s HIS 9 Cb 0.00 -0.58 0.37 0.00 -1.02 0.00 0.00 32.58 31.35 1xpn s HIS 9 CO 0.00 -0.29 1.19 0.43 1.02 0.00 0.00 174.74 177.09 1xpn n SER 10 N 5.27 1.74 -0.08 1.40 7.64 -1.26 -4.82 113.62 123.50 1xpn n SER 10 Ca -0.04 -3.41 -0.09 0.00 1.01 0.00 0.00 58.87 56.33 1xpn n SER 10 Cb 0.50 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1xpn n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xpn n SER 11 N -1.00 1.88 -4.63 6.43 3.41 -1.26 -4.91 113.62 113.54 1xpn n SER 11 Ca 0.16 0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 58.82 1xpn n SER 11 Cb 0.72 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1xpn n SER 11 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xpn s GLY 12 N -4.65 1.71 0.08 5.00 0.00 -1.26 -4.89 107.32 103.30 1xpn s GLY 12 Ca -0.23 -0.22 0.23 0.00 0.00 0.00 0.00 44.72 44.50 1xpn s GLY 12 CO 0.35 1.85 1.16 1.47 0.00 0.00 0.00 173.10 177.93 1xpn n LEU 13 N 6.19 0.64 -4.70 0.66 -0.00 -1.26 -4.84 117.00 113.70 1xpn n LEU 13 Ca 0.06 0.08 -0.35 0.00 -0.00 0.00 0.00 56.01 55.80 1xpn n LEU 13 Cb 0.48 -0.14 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1xpn n LEU 13 CO 0.50 0.01 -0.26 0.54 -0.00 0.00 0.00 177.39 178.18 1xpn s VAL 14 N -3.18 4.74 -0.90 1.47 0.11 -1.26 -5.00 120.40 116.38 1xpn s VAL 14 Ca 0.05 -0.07 0.20 0.00 -2.93 0.00 0.00 61.98 59.23 1xpn s VAL 14 Cb 0.14 -3.07 0.18 0.00 -1.53 0.00 0.00 36.38 32.10 1xpn s VAL 14 CO 0.76 0.55 1.62 -0.81 -3.33 0.00 0.00 175.10 173.89 1xpn n PRO 15 N 2.71 0.05 -2.33 1.54 -0.04 -1.26 -4.71 135.00 130.95 1xpn n PRO 15 Ca -0.18 0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 1xpn n PRO 15 Cb 0.53 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1xpn n PRO 15 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1xpn s ARG 16 N -3.06 3.99 0.00 0.54 3.52 -1.26 -2.58 118.95 120.11 1xpn s ARG 16 Ca 0.08 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1xpn s ARG 16 Cb 0.12 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1xpn s ARG 16 CO 0.36 -1.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1xpn n GLY 17 N 4.18 1.09 0.07 8.12 0.00 -1.26 -5.02 105.19 112.37 1xpn n GLY 17 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1xpn n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xpn h SER 18 N 0.00 0.00 -4.74 1.61 4.64 -1.82 -3.49 113.55 109.75 1xpn h SER 18 Ca 0.00 -0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 1xpn h SER 18 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1xpn h SER 18 CO 0.00 0.77 -0.60 -1.38 -0.87 0.00 0.00 176.83 174.75 1xpn s HIS 19 N -1.99 0.10 0.13 4.77 0.00 -1.26 -5.16 115.29 111.88 1xpn s HIS 19 Ca -0.11 -0.22 -0.00 0.00 -3.00 0.00 0.00 55.06 51.72 1xpn s HIS 19 Cb 0.01 -0.09 -0.04 0.00 -4.00 0.00 0.00 32.58 28.46 1xpn s HIS 19 CO 0.23 -0.20 0.29 0.00 -1.00 0.00 0.00 174.74 174.06 1xpn s MET 20 N -1.14 3.48 -1.19 -0.38 0.23 -1.26 -5.02 119.30 114.02 1xpn s MET 20 Ca -0.12 -0.42 -0.20 0.00 -1.03 0.00 0.00 55.69 53.91 1xpn s MET 20 Cb -0.07 -2.95 0.04 0.00 -1.53 0.00 0.00 34.83 30.32 1xpn s MET 20 CO 0.00 0.52 1.69 0.00 -2.03 0.00 0.00 175.02 175.21 1xpn s ALA 21 N -1.67 2.91 -0.61 3.16 0.00 -1.26 -4.77 121.76 119.51 1xpn s ALA 21 Ca 0.36 -2.59 -0.02 0.00 0.00 0.00 0.00 51.96 49.71 1xpn s ALA 21 Cb -0.12 -4.62 0.31 0.00 0.00 0.00 0.00 23.12 18.70 1xpn s ALA 21 CO 0.28 -3.67 2.16 0.45 0.00 0.00 0.00 175.76 174.98 1xpn n SER 22 N 9.45 7.22 -2.06 0.00 2.88 -1.26 -4.88 113.62 124.96 1xpn n SER 22 Ca 0.44 -3.57 -0.03 0.00 -1.33 0.00 0.00 58.87 54.38 1xpn n SER 22 Cb 0.47 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.85 1xpn n SER 22 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xpn n ASN 23 N -0.27 -1.47 -2.32 -3.46 5.15 -1.26 -5.08 115.26 106.56 1xpn n ASN 23 Ca 0.52 0.76 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1xpn n ASN 23 Cb 0.51 -3.32 0.00 0.00 -0.53 0.00 0.00 39.78 36.44 1xpn n ASN 23 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xpn n PRO 24 N 0.94 0.35 -2.32 1.20 -0.04 -1.26 -5.06 135.00 128.81 1xpn n PRO 24 Ca -0.22 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 1xpn n PRO 24 Cb 0.33 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.77 1xpn n PRO 24 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xpn s ASN 25 N -1.00 6.53 0.33 3.54 3.84 -1.26 -4.97 114.94 121.95 1xpn s ASN 25 Ca 0.00 1.50 0.12 0.00 0.21 0.00 0.00 52.86 54.70 1xpn s ASN 25 Cb 0.00 -2.49 0.56 0.00 -0.55 0.00 0.00 41.25 38.77 1xpn s ASN 25 CO 0.00 -0.63 1.72 -0.78 -2.79 0.00 0.00 177.10 174.62 1xpn h ASP 26 N 0.68 0.00 -2.64 -4.21 3.58 -2.02 -3.43 116.42 108.38 1xpn h ASP 26 Ca -0.46 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.41 1xpn h ASP 26 Cb 1.19 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.14 1xpn h ASP 26 CO 0.62 0.48 -0.64 -0.76 -2.88 0.00 0.00 179.24 176.06 1xpn s LEU 27 N -7.83 3.36 0.89 2.28 1.02 -1.26 -4.97 118.68 112.16 1xpn s LEU 27 Ca -0.02 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 1xpn s LEU 27 Cb 0.13 -1.96 0.13 0.00 0.02 0.00 0.00 46.19 44.51 1xpn s LEU 27 CO 0.74 0.05 1.10 -2.16 0.02 0.00 0.00 176.35 176.10 1xpn s PRO 28 N -3.22 1.31 -1.21 1.29 0.04 -1.26 -4.90 135.00 127.04 1xpn s PRO 28 Ca 0.29 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1xpn s PRO 28 Cb -0.08 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.73 1xpn s PRO 28 CO 0.20 -2.27 1.63 0.34 0.04 0.00 0.00 177.00 176.93 1xpn s ASP 29 N -3.21 6.77 -0.03 6.66 2.15 -1.26 -4.90 116.67 122.85 1xpn s ASP 29 Ca 0.64 -2.24 -0.02 0.00 0.43 0.00 0.00 52.55 51.35 1xpn s ASP 29 Cb -0.19 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 1xpn s ASP 29 CO 0.57 -1.21 0.07 -0.36 -0.17 0.00 0.00 175.17 174.07 1xpn s PHE 30 N 4.14 -0.07 0.95 -5.34 0.08 -1.26 -5.16 117.98 111.32 1xpn s PHE 30 Ca 0.50 0.20 -0.13 0.00 0.12 0.00 0.00 56.93 57.63 1xpn s PHE 30 Cb 0.02 -0.02 0.16 0.00 -0.57 0.00 0.00 43.02 42.61 1xpn s PHE 30 CO 0.02 -0.06 1.13 -2.14 -0.10 0.00 0.00 175.22 174.08 1xpn s PRO 31 N 0.29 0.81 0.00 0.24 0.02 -1.26 -4.93 135.00 130.17 1xpn s PRO 31 Ca -0.02 0.28 0.08 0.00 0.02 0.00 0.00 61.00 61.36 1xpn s PRO 31 Cb -0.03 -1.80 0.46 0.00 0.02 0.00 0.00 34.50 33.15 1xpn s PRO 31 CO -0.01 -2.42 1.28 0.39 -0.33 0.00 0.00 177.00 175.90 1xpn n GLU 32 N -3.92 0.98 0.30 5.54 4.71 -1.26 -3.68 120.64 123.30 1xpn n GLU 32 Ca 0.07 0.00 0.18 0.00 -0.01 0.00 0.00 57.16 57.40 1xpn n GLU 32 Cb 0.59 -1.12 0.95 0.00 -1.01 0.00 0.00 31.44 30.84 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 0.00 -0.03 -0.32 2.76 -1.97 -1.92 115.15 113.67 1xpn h HIS 33 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1xpn h HIS 33 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1xpn h HIS 33 CO 0.00 0.03 -0.18 0.93 -1.30 0.00 0.00 177.93 177.41 1xpn h GLU 34 N 0.00 0.05 0.00 5.26 4.39 -1.97 -1.34 114.58 120.97 1xpn h GLU 34 Ca -0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1xpn h GLU 34 Cb 0.18 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1xpn h GLU 34 CO 0.00 0.24 -0.51 1.88 -1.16 0.00 0.00 179.01 179.46 1xpn h TYR 35 N 0.05 0.00 -0.41 4.33 0.05 -1.66 -3.24 116.97 116.09 1xpn h TYR 35 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xpn h TYR 35 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1xpn h TYR 35 CO 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 178.16 177.35 1xpn n ALA 36 N -2.19 2.51 -0.80 3.88 0.00 -0.54 -3.36 120.51 120.02 1xpn n ALA 36 Ca 0.01 -0.76 0.08 0.00 0.00 0.00 0.00 53.44 52.77 1xpn n ALA 36 Cb 0.64 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 19.46 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 3.37 -2.02 0.00 0.00 -0.99 -4.99 120.51 116.55 1xpn n ALA 37 Ca 0.14 -1.86 -0.42 0.00 0.00 0.00 0.00 53.44 51.30 1xpn n ALA 37 Cb 0.39 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1xpn n ALA 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xpn s THR 38 N -2.39 3.18 0.56 0.00 -4.23 -1.21 -5.01 115.64 106.53 1xpn s THR 38 Ca 0.50 0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 61.60 1xpn s THR 38 Cb 0.36 -3.43 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1xpn s THR 38 CO 0.17 0.01 0.76 0.00 -0.54 0.00 0.00 174.62 175.02 1xpn n GLN 39 N 5.21 -0.60 0.05 3.99 3.00 -1.26 -5.06 117.38 122.70 1xpn n GLN 39 Ca 0.15 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 1xpn n GLN 39 Cb 0.41 -0.74 0.00 0.00 0.00 0.00 0.00 30.24 29.91 1xpn n GLN 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xpn n GLN 40 N -2.58 0.00 -2.70 -1.09 -0.06 -1.26 -4.89 117.38 104.79 1xpn n GLN 40 Ca 0.10 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.68 1xpn n GLN 40 Cb 0.35 -0.10 -0.03 0.00 -4.06 0.00 0.00 30.24 26.40 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1xpn s VAL 41 N -2.00 4.81 -0.29 1.69 1.01 -1.26 -4.16 120.40 120.19 1xpn s VAL 41 Ca 0.00 2.03 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 1xpn s VAL 41 Cb 0.00 -4.31 0.17 0.00 0.00 0.00 0.00 36.38 32.24 1xpn s VAL 41 CO 0.00 0.04 1.28 -0.83 0.00 0.00 0.00 175.10 175.59 1xpn s GLY 42 N 1.08 0.21 -0.45 4.51 0.00 -1.26 -4.20 107.32 107.21 1xpn s GLY 42 Ca 0.49 3.28 0.01 0.00 0.00 0.00 0.00 44.72 48.50 1xpn s GLY 42 CO 0.20 2.02 1.88 0.61 0.00 0.00 0.00 173.10 177.80 1xpn n GLY 43 N 2.02 4.60 3.57 0.20 0.00 -1.23 -1.37 105.19 112.98 1xpn n GLY 43 Ca -0.12 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.07 0.88 -0.45 -0.02 0.00 -0.43 -4.32 107.32 101.90 1xpn s GLY 44 Ca 0.51 -2.32 -0.27 0.00 0.00 0.00 0.00 44.72 42.64 1xpn s GLY 44 CO 0.05 3.10 1.03 0.14 0.00 0.00 0.00 173.10 177.42 1xpn s VAL 45 N 7.40 4.36 -0.25 1.40 1.01 -1.26 -3.73 120.40 129.33 1xpn s VAL 45 Ca 0.59 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.58 1xpn s VAL 45 Cb -0.00 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1xpn s VAL 45 CO 0.04 -0.88 -0.01 -0.63 0.00 0.00 0.00 175.10 173.63 1xpn s ILE 46 N 4.05 3.47 -0.43 2.22 1.01 -0.43 0.11 121.20 131.21 1xpn s ILE 46 Ca 0.43 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1xpn s ILE 46 Cb -0.09 -2.68 0.06 0.00 0.01 0.00 0.00 42.46 39.76 1xpn s ILE 46 CO 0.28 0.28 0.31 0.20 0.00 0.00 0.00 174.94 176.02 1xpn s ASN 47 N 1.46 5.95 -0.13 3.58 -0.87 -0.29 0.25 114.94 124.90 1xpn s ASN 47 Ca 0.04 -1.23 -0.01 0.00 -1.57 0.00 0.00 52.86 50.09 1xpn s ASN 47 Cb -0.16 -2.11 -0.02 0.00 -0.02 0.00 0.00 41.25 38.95 1xpn s ASN 47 CO -0.02 -0.54 -0.10 -0.83 -2.57 0.00 0.00 177.10 173.05 1xpn s GLY 48 N 2.14 1.61 -0.25 0.66 0.00 0.19 -0.20 107.32 111.46 1xpn s GLY 48 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1xpn s GLY 48 CO 0.06 -0.20 -0.02 -0.35 0.00 0.00 0.00 173.10 172.59 1xpn s ASP 49 N 0.25 4.50 -0.10 1.64 2.15 -0.75 -0.50 116.67 123.87 1xpn s ASP 49 Ca -0.07 -0.75 -0.15 0.00 0.43 0.00 0.00 52.55 52.01 1xpn s ASP 49 Cb -0.15 -1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 40.69 1xpn s ASP 49 CO 0.04 -0.13 0.38 -0.22 -0.17 0.00 0.00 175.17 175.07 1xpn s LEU 50 N 1.39 4.33 -0.30 -1.34 2.96 0.36 -0.70 118.68 125.39 1xpn s LEU 50 Ca 0.02 0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 54.51 1xpn s LEU 50 Cb -0.16 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.17 1xpn s LEU 50 CO -0.03 0.16 1.02 -0.72 -1.32 0.00 0.00 176.35 175.46 1xpn s TYR 51 N -0.04 -0.55 0.11 5.38 1.13 -0.49 -4.68 117.35 118.20 1xpn s TYR 51 Ca 0.21 1.02 0.06 0.00 -1.41 0.00 0.00 57.07 56.95 1xpn s TYR 51 Cb -0.15 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 1xpn s TYR 51 CO 0.09 -0.27 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.29 1xpn s LEU 52 N 1.91 3.24 -0.08 -3.49 1.43 0.17 -4.18 118.68 117.68 1xpn s LEU 52 Ca -0.05 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1xpn s LEU 52 Cb -0.05 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1xpn s LEU 52 CO -0.16 0.17 0.47 0.42 0.23 0.00 0.00 176.35 177.48 1xpn s THR 53 N -1.31 5.12 0.54 5.49 -4.23 -1.26 -0.12 115.64 119.87 1xpn s THR 53 Ca 0.24 0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 61.57 1xpn s THR 53 Cb -0.11 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.87 1xpn s THR 53 CO 0.16 0.40 0.95 -0.55 -0.54 0.00 0.00 174.62 175.04 1xpn s SER 54 N 0.14 6.42 0.00 3.99 0.15 0.18 -4.90 113.70 119.67 1xpn s SER 54 Ca 0.26 1.38 0.13 0.00 0.70 0.00 0.00 55.95 58.42 1xpn s SER 54 Cb -0.16 -2.44 0.61 0.00 -1.71 0.00 0.00 66.02 62.32 1xpn s SER 54 CO 0.11 -0.67 1.41 0.00 1.20 0.00 0.00 173.24 175.29 1xpn n ALA 55 N -2.06 1.67 1.33 5.45 0.00 -1.26 -0.47 120.51 125.16 1xpn n ALA 55 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1xpn n ALA 55 Cb 0.54 -1.22 0.38 0.00 0.00 0.00 0.00 19.45 19.15 1xpn n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xpn n SER 56 N -1.43 1.99 -0.97 0.00 7.64 -1.26 -4.95 113.62 114.64 1xpn n SER 56 Ca 0.04 -1.65 -0.03 0.00 1.01 0.00 0.00 58.87 58.24 1xpn n SER 56 Cb 0.14 0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 57 N 1.24 0.69 3.44 0.23 0.00 0.38 -5.07 105.19 106.09 1xpn n GLY 57 Ca 0.17 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.04 2.55 -0.31 4.61 0.00 -1.24 -4.89 121.76 119.44 1xpn s ALA 58 Ca 0.06 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 1xpn s ALA 58 Cb -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1xpn s ALA 58 CO 0.09 0.49 0.18 0.42 0.00 0.00 0.00 175.76 176.94 1xpn s ILE 59 N -1.42 4.91 -0.23 0.00 1.01 -1.26 0.47 121.20 124.69 1xpn s ILE 59 Ca 0.19 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 1xpn s ILE 59 Cb -0.09 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xpn s ILE 59 CO 0.09 0.10 0.41 -1.10 0.00 0.00 0.00 174.94 174.44 1xpn s GLN 60 N 1.67 4.12 -0.07 2.79 -1.52 0.82 -4.92 119.66 122.56 1xpn s GLN 60 Ca 0.06 0.19 -0.02 0.00 -1.95 0.00 0.00 55.36 53.64 1xpn s GLN 60 Cb -0.17 -3.58 -0.01 0.00 -0.22 0.00 0.00 33.01 29.03 1xpn s GLN 60 CO 0.08 -0.14 -0.03 0.87 -0.25 0.00 0.00 175.29 175.82 1xpn h LYS 61 N 7.65 0.00 0.00 2.91 1.79 -1.85 0.50 116.57 127.56 1xpn h LYS 61 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1xpn h LYS 61 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1xpn h LYS 61 CO 0.70 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.48 1xpn n GLY 62 N 1.80 2.02 3.49 3.86 0.00 -1.26 -4.23 105.19 110.87 1xpn n GLY 62 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 5.06 -0.75 2.61 -4.23 -1.26 -3.67 115.64 113.40 1xpn s THR 63 Ca 0.00 -0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1xpn s THR 63 Cb 0.00 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1xpn s THR 63 CO 0.00 -0.44 0.68 -3.20 -0.54 0.00 0.00 174.62 171.12 1xpn n ASN 64 N 5.67 -7.26 -4.17 3.99 2.85 -1.13 -5.03 115.26 110.18 1xpn n ASN 64 Ca -0.07 -0.22 -0.28 0.00 -0.11 0.00 0.00 54.58 53.90 1xpn n ASN 64 Cb 0.47 -4.63 -0.16 0.00 1.24 0.00 0.00 39.78 36.70 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1xpn s THR 65 N -2.98 1.65 -0.17 -0.44 2.01 -1.26 -4.90 115.64 109.55 1xpn s THR 65 Ca 0.01 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 1xpn s THR 65 Cb -0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1xpn s THR 65 CO 0.78 0.47 0.56 -0.54 -0.69 0.00 0.00 174.62 175.19 1xpn s LYS 66 N 0.08 4.26 -0.31 4.92 1.02 -1.26 -0.72 119.74 127.73 1xpn s LYS 66 Ca -0.07 0.53 -0.11 0.00 0.02 0.00 0.00 55.97 56.35 1xpn s LYS 66 Cb -0.13 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 1xpn s LYS 66 CO 0.04 -0.08 0.18 0.08 -0.92 0.00 0.00 175.35 174.65 1xpn s VAL 67 N 1.37 4.91 -0.25 3.17 1.01 0.14 -4.04 120.40 126.71 1xpn s VAL 67 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1xpn s VAL 67 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1xpn s VAL 67 CO 0.11 0.11 0.25 0.00 0.00 0.00 0.00 175.10 175.57 1xpn s ALA 68 N 1.67 3.58 -0.55 5.51 0.00 0.32 -0.67 121.76 131.62 1xpn s ALA 68 Ca 0.06 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 1xpn s ALA 68 Cb -0.17 -2.48 0.13 0.00 0.00 0.00 0.00 23.12 20.60 1xpn s ALA 68 CO 0.08 -0.37 0.50 -1.17 0.00 0.00 0.00 175.76 174.80 1xpn s LEU 69 N 1.43 6.18 -0.05 0.00 2.96 -0.49 -0.72 118.68 127.99 1xpn s LEU 69 Ca 0.11 -1.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.17 1xpn s LEU 69 Cb -0.15 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1xpn s LEU 69 CO 0.07 -0.83 -0.02 -1.83 -1.32 0.00 0.00 176.35 172.43 1xpn s GLU 70 N 1.50 2.84 0.17 1.98 -1.05 -0.54 -2.89 118.70 120.70 1xpn s GLU 70 Ca 0.04 -0.52 -0.31 0.00 -0.15 0.00 0.00 54.97 54.03 1xpn s GLU 70 Cb -0.29 -2.69 -0.09 0.00 -0.44 0.00 0.00 34.13 30.63 1xpn s GLU 70 CO 0.02 0.66 1.44 -1.25 0.95 0.00 0.00 175.26 177.08 1xpn s PRO 71 N -1.10 4.29 -0.33 -4.83 0.04 -1.26 -0.20 135.00 131.61 1xpn s PRO 71 Ca 0.15 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 1xpn s PRO 71 Cb -0.11 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1xpn s PRO 71 CO 0.05 -0.45 1.45 0.00 0.04 0.00 0.00 177.00 178.09 1xpn s ALA 72 N 0.75 3.18 0.12 8.56 0.00 -1.04 -4.79 121.76 128.54 1xpn s ALA 72 Ca 0.64 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 1xpn s ALA 72 Cb -0.40 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 1xpn s ALA 72 CO 0.34 -2.12 0.03 0.95 0.00 0.00 0.00 175.76 174.96 1xpn s THR 73 N 5.17 0.24 0.29 0.00 -4.23 -1.26 -4.94 115.64 110.91 1xpn s THR 73 Ca 0.63 -1.90 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1xpn s THR 73 Cb -0.18 -1.95 0.29 0.00 1.34 0.00 0.00 72.50 72.01 1xpn s THR 73 CO 0.29 -0.58 1.99 0.28 -0.54 0.00 0.00 174.62 176.05 1xpn h SER 74 N 2.89 0.00 -0.63 3.99 0.02 -1.98 0.28 113.55 118.13 1xpn h SER 74 Ca -0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1xpn h SER 74 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1xpn h SER 74 CO 0.61 0.14 0.18 0.22 -1.14 0.00 0.00 176.83 176.84 1xpn h TYR 75 N 0.00 1.04 0.00 3.45 3.20 -1.95 -2.81 116.97 119.90 1xpn h TYR 75 Ca -0.00 -0.11 -0.16 0.00 3.14 0.00 0.00 58.73 61.59 1xpn h TYR 75 Cb 0.49 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1xpn h TYR 75 CO 0.00 0.86 -0.79 0.52 -1.64 0.00 0.00 178.16 177.11 1xpn h MET 76 N 0.92 0.00 -0.29 1.82 2.86 -1.62 -3.32 114.93 115.29 1xpn h MET 76 Ca 0.20 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1xpn h MET 76 Cb 0.32 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1xpn h MET 76 CO -0.00 0.75 -0.16 -0.22 1.06 0.00 0.00 176.91 178.34 1xpn h LYS 77 N 0.00 -0.11 0.00 1.72 3.64 -0.22 0.56 116.57 122.16 1xpn h LYS 77 Ca -0.02 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1xpn h LYS 77 Cb 1.59 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1xpn h LYS 77 CO 0.10 -0.08 -0.52 0.00 -2.27 0.00 0.00 179.45 176.68 1xpn h ALA 78 N 1.10 1.13 0.04 5.00 0.00 -1.65 -2.00 119.26 122.88 1xpn h ALA 78 Ca 0.15 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1xpn h ALA 78 Cb 0.35 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xpn h ALA 78 CO -0.37 0.66 -1.03 -0.92 0.00 0.00 0.00 179.25 177.58 1xpn h TYR 79 N 0.00 0.64 -0.15 0.00 3.20 -1.45 -3.18 116.97 116.03 1xpn h TYR 79 Ca -0.01 -0.38 -0.09 0.00 3.14 0.00 0.00 58.73 61.40 1xpn h TYR 79 Cb 0.93 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1xpn h TYR 79 CO 0.00 1.22 -0.29 -0.92 -1.64 0.00 0.00 178.16 176.53 1xpn h TYR 80 N 0.21 0.32 0.00 -3.82 3.20 0.29 -2.08 116.97 115.09 1xpn h TYR 80 Ca -0.10 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 1xpn h TYR 80 Cb 1.69 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.88 1xpn h TYR 80 CO 0.07 0.55 -0.01 0.00 -1.64 0.00 0.00 178.16 177.13 1xpn h ALA 81 N 1.45 1.86 0.00 1.82 0.00 -1.34 -3.14 119.26 119.91 1xpn h ALA 81 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xpn h ALA 81 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xpn h ALA 81 CO 0.05 0.01 -0.06 0.87 0.00 0.00 0.00 179.25 180.11 1xpn h LYS 82 N 0.00 0.00 0.00 0.00 1.57 -1.44 -3.47 116.57 113.22 1xpn h LYS 82 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xpn h LYS 82 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xpn h LYS 82 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 1xpn n PHE 83 N -3.54 0.00 -2.38 -1.35 3.01 -0.87 -5.02 117.46 107.31 1xpn n PHE 83 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1xpn n PHE 83 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 3.36 2.56 3.63 1.37 0.00 -1.19 -4.51 105.19 110.40 1xpn n GLY 84 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 6.65 -0.13 1.61 2.20 -1.25 -4.68 114.94 115.34 1xpn s ASN 85 Ca 0.00 1.13 -0.08 0.00 -0.94 0.00 0.00 52.86 52.97 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 -1.11 0.31 -0.22 -2.94 0.00 0.00 177.10 173.14 1xpn s LEU 86 N 4.44 0.36 0.45 3.54 0.20 -0.01 -4.99 118.68 122.68 1xpn s LEU 86 Ca 0.56 0.67 -0.25 0.00 0.69 0.00 0.00 54.13 55.80 1xpn s LEU 86 Cb -0.16 1.01 -0.08 0.00 -0.43 0.00 0.00 46.19 46.54 1xpn s LEU 86 CO 0.24 -0.16 1.37 -1.81 -0.29 0.00 0.00 176.35 175.70 1xpn s ASP 87 N 1.01 5.92 0.57 3.68 1.11 -1.26 -1.45 116.67 126.26 1xpn s ASP 87 Ca -0.07 2.79 0.34 0.00 0.18 0.00 0.00 52.55 55.79 1xpn s ASP 87 Cb -0.08 -2.64 1.70 0.00 1.07 0.00 0.00 42.92 42.97 1xpn s ASP 87 CO -0.07 -1.13 2.13 0.00 1.18 0.00 0.00 175.17 177.28 1xpn h ALA 88 N 2.28 1.12 0.00 5.23 0.00 -0.63 -1.89 119.26 125.39 1xpn h ALA 88 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1xpn h ALA 88 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpn h ALA 88 CO 0.61 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1xpn n ALA 89 N -2.17 1.89 -1.40 0.00 0.00 -1.00 -2.36 120.51 115.48 1xpn n ALA 89 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1xpn n ALA 89 Cb 0.21 -1.38 0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.96 0.83 -2.53 0.00 2.85 -0.76 -4.99 118.16 111.61 1xpn n LYS 90 Ca 0.04 -2.02 -0.40 0.00 -1.05 0.00 0.00 58.31 54.87 1xpn n LYS 90 Cb 0.27 -1.15 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.87 3.41 -0.13 -1.58 3.00 -0.92 -4.92 118.95 115.94 1xpn s ARG 91 Ca 0.21 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.73 53.86 1xpn s ARG 91 Cb 0.18 -4.96 -0.04 0.00 0.00 0.00 0.00 34.95 30.13 1xpn s ARG 91 CO 0.02 -2.24 1.56 0.34 0.00 0.00 0.00 175.30 174.98 1xpn s ASP 92 N 4.75 6.63 0.02 -2.12 -1.08 -1.26 -4.88 116.67 118.73 1xpn s ASP 92 Ca 0.44 1.93 0.26 0.00 -0.52 0.00 0.00 52.55 54.66 1xpn s ASP 92 Cb -0.03 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.67 1xpn s ASP 92 CO -0.01 -1.00 1.61 -0.81 0.52 0.00 0.00 175.17 175.48 1xpn n PRO 93 N 7.19 0.04 -0.01 4.34 -0.04 -1.26 -4.06 135.00 141.20 1xpn n PRO 93 Ca 0.17 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.43 1xpn n PRO 93 Cb 0.44 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 1xpn n PRO 93 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xpn h ASP 94 N 0.00 0.32 -0.99 3.54 3.58 -2.02 -3.41 116.42 117.43 1xpn h ASP 94 Ca 0.00 -0.82 -0.43 0.00 0.42 0.00 0.00 57.03 56.20 1xpn h ASP 94 Cb 0.54 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 1xpn h ASP 94 CO 0.00 1.65 1.07 -0.69 -2.88 0.00 0.00 179.24 178.40 1xpn s VAL 95 N -2.47 3.64 0.30 2.25 1.01 -1.26 -4.97 120.40 118.90 1xpn s VAL 95 Ca -0.22 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1xpn s VAL 95 Cb 0.05 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1xpn s VAL 95 CO 0.73 -1.37 0.72 -1.10 0.00 0.00 0.00 175.10 174.09 1xpn s GLN 96 N 6.17 4.03 0.62 2.72 -0.21 -1.26 -4.93 119.66 126.81 1xpn s GLN 96 Ca 0.59 0.68 -0.18 0.00 0.02 0.00 0.00 55.36 56.48 1xpn s GLN 96 Cb -0.04 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 1xpn s GLN 96 CO -0.03 0.21 0.81 -0.35 -2.12 0.00 0.00 175.29 173.81 1xpn n PRO 97 N -0.16 0.69 0.00 2.91 -0.04 -1.26 -5.02 135.00 132.12 1xpn n PRO 97 Ca 0.02 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1xpn n PRO 97 Cb 0.53 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1xpn n PRO 97 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1xpn n PRO 98 N -0.87 0.36 -2.35 0.54 -0.02 -1.26 -4.89 135.00 126.52 1xpn n PRO 98 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1xpn n PRO 98 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.93 1xpn n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xpn s VAL 99 N -0.35 3.69 0.32 -1.45 1.01 -1.26 -4.98 120.40 117.38 1xpn s VAL 99 Ca 0.00 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1xpn s VAL 99 Cb 0.00 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1xpn s VAL 99 CO 0.00 -1.23 0.13 -0.76 0.00 0.00 0.00 175.10 173.24 1xpn s LEU 100 N 6.57 3.31 0.03 3.92 1.43 -1.26 -5.06 118.68 127.63 1xpn s LEU 100 Ca 0.53 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1xpn s LEU 100 Cb -0.11 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 1xpn s LEU 100 CO 0.23 -0.24 1.28 -0.62 0.23 0.00 0.00 176.35 177.23 1xpn s ASP 101 N -3.83 6.97 0.00 2.29 2.15 -1.26 -4.92 116.67 118.07 1xpn s ASP 101 Ca 0.37 2.06 0.29 0.00 0.43 0.00 0.00 52.55 55.69 1xpn s ASP 101 Cb -0.04 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.26 1xpn s ASP 101 CO 0.23 -0.59 1.89 -0.81 -0.17 0.00 0.00 175.17 175.72 1xpn n PRO 102 N 4.53 0.40 0.00 4.34 -0.04 -1.26 -3.59 135.00 139.38 1xpn n PRO 102 Ca 0.11 -0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 1xpn n PRO 102 Cb 0.45 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.98 1xpn n PRO 102 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xpn n ARG 103 N -1.22 0.38 0.12 0.54 1.74 -1.26 -3.21 116.66 113.75 1xpn n ARG 103 Ca 0.12 -0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.22 1xpn n ARG 103 Cb 0.29 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.87 1xpn n ARG 103 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xpn h ARG 104 N 0.28 0.04 0.00 5.56 3.08 -1.99 0.49 114.38 121.85 1xpn h ARG 104 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xpn h ARG 104 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xpn h ARG 104 CO 0.00 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 1xpn n ALA 105 N -2.58 1.46 -0.06 0.04 0.00 -1.20 0.22 120.51 118.38 1xpn n ALA 105 Ca 0.04 0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 1xpn n ALA 105 Cb 0.33 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 1xpn n ALA 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xpn n THR 106 N -2.21 1.63 0.11 0.00 -1.04 0.12 -4.53 114.28 108.36 1xpn n THR 106 Ca 0.01 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.05 61.24 1xpn n THR 106 Cb 0.16 -1.54 -0.14 0.00 -1.82 0.00 0.00 70.33 67.00 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 0.03 0.51 -3.30 -1.42 0.05 -0.99 -3.44 116.97 108.41 1xpn h TYR 107 Ca -0.50 -0.37 -0.54 0.00 0.05 0.00 0.00 58.73 57.37 1xpn h TYR 107 Cb 1.97 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.68 1xpn h TYR 107 CO 0.05 1.29 0.47 0.08 -1.05 0.00 0.00 178.16 179.00 1xpn s VAL 108 N -2.66 4.46 -0.10 -2.88 1.01 0.13 -4.94 120.40 115.42 1xpn s VAL 108 Ca -0.04 1.77 -0.19 0.00 0.00 0.00 0.00 61.98 63.52 1xpn s VAL 108 Cb 0.07 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1xpn s VAL 108 CO 0.89 0.13 0.51 -0.13 0.00 0.00 0.00 175.10 176.50 1xpn s ARG 109 N 1.09 4.34 -0.28 2.72 0.52 -1.14 -4.84 118.95 121.36 1xpn s ARG 109 Ca 0.55 0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 56.19 1xpn s ARG 109 Cb -0.25 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 1xpn s ARG 109 CO 0.28 0.17 0.15 -1.21 0.02 0.00 0.00 175.30 174.70 1xpn s GLU 110 N 0.57 3.69 -0.26 3.54 2.02 -1.26 -1.40 118.70 125.61 1xpn s GLU 110 Ca 0.28 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.74 1xpn s GLU 110 Cb -0.16 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.54 1xpn s GLU 110 CO 0.12 -0.25 0.01 0.00 0.02 0.00 0.00 175.26 175.15 1xpn s ALA 111 N 1.68 2.90 -0.14 5.21 0.00 0.16 -4.94 121.76 126.62 1xpn s ALA 111 Ca 0.06 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 1xpn s ALA 111 Cb -0.16 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1xpn s ALA 111 CO 0.08 -0.73 0.35 0.99 0.00 0.00 0.00 175.76 176.45 1xpn s THR 112 N 1.45 5.27 0.03 0.00 2.01 -1.26 0.24 115.64 123.37 1xpn s THR 112 Ca 0.03 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 1xpn s THR 112 Cb -0.16 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1xpn s THR 112 CO -0.01 0.38 1.59 0.42 -0.69 0.00 0.00 174.62 176.30 1xpn s THR 113 N 0.47 3.32 0.09 -0.82 -4.23 0.11 -4.89 115.64 109.68 1xpn s THR 113 Ca 0.19 0.68 -0.35 0.00 -1.18 0.00 0.00 61.69 61.04 1xpn s THR 113 Cb -0.14 -3.44 -0.16 0.00 1.34 0.00 0.00 72.50 70.10 1xpn s THR 113 CO 0.06 -0.01 1.54 0.44 -0.54 0.00 0.00 174.62 176.11 1xpn h ASP 114 N 8.43 -1.41 0.00 3.99 5.19 -1.88 -3.01 116.42 127.74 1xpn h ASP 114 Ca -0.41 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1xpn h ASP 114 Cb 1.19 0.48 0.00 0.00 0.18 0.00 0.00 39.33 41.18 1xpn h ASP 114 CO 0.93 -0.63 0.00 1.67 -3.12 0.00 0.00 179.24 178.09 1xpn n GLN 115 N -5.43 0.00 -0.48 3.56 7.27 -1.26 -4.42 117.38 116.61 1xpn n GLN 115 Ca -0.11 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.87 1xpn n GLN 115 Cb 0.44 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.15 1xpn n GLN 115 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1xpn n ASN 116 N -3.10 3.69 -3.56 1.69 4.13 -1.26 -4.42 115.26 112.43 1xpn n ASN 116 Ca 0.00 -2.61 -0.24 0.00 1.68 0.00 0.00 54.58 53.41 1xpn n ASN 116 Cb 0.00 -0.69 0.05 0.00 -1.54 0.00 0.00 39.78 37.60 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 0.04 -0.86 3.08 7.41 0.00 -1.24 -4.85 105.19 108.77 1xpn n GLY 117 Ca 0.21 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -5.53 0.57 -0.11 1.61 3.52 -1.26 -0.49 118.95 117.27 1xpn s ARG 118 Ca 0.35 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1xpn s ARG 118 Cb -0.09 -0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.03 1xpn s ARG 118 CO 0.81 0.05 0.22 -0.59 -0.81 0.00 0.00 175.30 174.99 1xpn s PHE 119 N -1.57 -0.32 -0.19 5.12 -0.71 0.34 -3.79 117.98 116.87 1xpn s PHE 119 Ca -0.08 0.79 -0.03 0.00 -1.04 0.00 0.00 56.93 56.57 1xpn s PHE 119 Cb -0.09 -0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.65 1xpn s PHE 119 CO 0.00 -0.28 -0.05 -0.51 -1.34 0.00 0.00 175.22 173.04 1xpn s ASP 120 N 1.90 4.40 -0.02 1.98 1.11 -1.26 -0.64 116.67 124.13 1xpn s ASP 120 Ca -0.03 -0.31 -0.01 0.00 0.18 0.00 0.00 52.55 52.38 1xpn s ASP 120 Cb -0.11 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.10 1xpn s ASP 120 CO -0.08 0.06 0.06 -0.36 1.18 0.00 0.00 175.17 176.03 1xpn s PHE 121 N 1.03 3.25 -0.02 4.23 0.08 0.14 -4.97 117.98 121.72 1xpn s PHE 121 Ca 0.01 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.08 1xpn s PHE 121 Cb -0.15 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1xpn s PHE 121 CO 0.00 0.53 0.38 0.34 -0.10 0.00 0.00 175.22 176.37 1xpn s ASP 122 N -1.52 -0.27 -0.81 1.36 2.15 -1.26 -1.31 116.67 115.01 1xpn s ASP 122 Ca 0.20 0.18 -0.02 0.00 0.43 0.00 0.00 52.55 53.35 1xpn s ASP 122 Cb -0.12 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.84 1xpn s ASP 122 CO 0.11 -0.49 0.74 1.41 -0.17 0.00 0.00 175.17 176.77 1xpn n HIS 123 N 1.17 -2.80 -4.24 -5.34 8.25 -1.25 -4.96 115.22 106.04 1xpn n HIS 123 Ca -0.21 1.05 -0.26 0.00 -0.26 0.00 0.00 57.72 58.04 1xpn n HIS 123 Cb 0.56 -4.08 -0.17 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.10 1.10 0.26 1.59 1.01 -0.48 -4.81 121.20 116.77 1xpn s ILE 124 Ca 0.12 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1xpn s ILE 124 Cb -0.02 -1.05 -0.11 0.00 0.01 0.00 0.00 42.46 41.29 1xpn s ILE 124 CO 0.73 0.36 1.60 -2.16 0.00 0.00 0.00 174.94 175.48 1xpn s PRO 125 N 1.18 4.15 0.50 2.79 0.04 -1.26 -1.32 135.00 141.08 1xpn s PRO 125 Ca -0.05 2.53 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1xpn s PRO 125 Cb -0.14 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1xpn s PRO 125 CO -0.02 -0.63 1.24 0.54 0.04 0.00 0.00 177.00 178.17 1xpn s ASN 126 N 0.67 5.75 0.00 6.66 4.22 -1.26 -4.92 114.94 126.05 1xpn s ASN 126 Ca 0.66 2.49 0.00 0.00 -2.14 0.00 0.00 52.86 53.87 1xpn s ASN 126 Cb -0.47 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.44 1xpn s ASN 126 CO 0.43 -1.22 0.00 0.61 -2.04 0.00 0.00 177.10 174.88 1xpn n GLY 127 N 0.56 -2.09 3.74 0.45 0.00 0.87 -5.00 105.19 103.72 1xpn n GLY 127 Ca 0.09 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.27 5.30 0.05 2.61 -1.32 -1.26 -0.60 115.64 118.14 1xpn s THR 128 Ca 0.00 0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 61.01 1xpn s THR 128 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1xpn s THR 128 CO 0.00 0.41 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.48 1xpn s TYR 129 N 0.35 0.51 -0.20 9.09 2.02 0.21 -2.49 117.35 126.85 1xpn s TYR 129 Ca 0.17 -1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 55.76 1xpn s TYR 129 Cb -0.13 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1xpn s TYR 129 CO 0.04 -0.37 0.05 0.71 -1.57 0.00 0.00 175.55 174.41 1xpn s TYR 130 N -3.78 3.16 -0.53 2.71 2.02 0.72 -1.89 117.35 119.76 1xpn s TYR 130 Ca 0.06 -0.14 -0.19 0.00 -0.37 0.00 0.00 57.07 56.43 1xpn s TYR 130 Cb 0.07 -2.10 0.07 0.00 -0.40 0.00 0.00 41.96 39.59 1xpn s TYR 130 CO -0.09 -0.03 0.65 0.42 -1.57 0.00 0.00 175.55 174.92 1xpn s ILE 131 N 0.74 4.85 -0.23 2.71 1.01 -0.31 -1.47 121.20 128.51 1xpn s ILE 131 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1xpn s ILE 131 Cb -0.14 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1xpn s ILE 131 CO 0.02 -0.89 -0.08 -0.44 0.00 0.00 0.00 174.94 173.56 1xpn s SER 132 N 2.91 4.12 -0.03 3.58 0.01 0.11 -0.17 113.70 124.21 1xpn s SER 132 Ca 0.14 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.73 1xpn s SER 132 Cb -0.20 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.38 1xpn s SER 132 CO 0.11 -0.08 -0.06 -0.94 0.41 0.00 0.00 173.24 172.68 1xpn s SER 133 N 1.37 0.93 -0.53 2.44 1.04 -0.52 -0.52 113.70 117.90 1xpn s SER 133 Ca 0.03 -0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 1xpn s SER 133 Cb -0.15 -0.34 0.12 0.00 0.10 0.00 0.00 66.02 65.75 1xpn s SER 133 CO -0.05 0.00 0.48 -0.70 0.98 0.00 0.00 173.24 173.94 1xpn s GLU 134 N 0.52 2.96 -0.43 4.02 2.12 -1.26 -0.86 118.70 125.78 1xpn s GLU 134 Ca -0.07 -1.65 -0.07 0.00 0.36 0.00 0.00 54.97 53.54 1xpn s GLU 134 Cb -0.11 -4.25 0.10 0.00 0.26 0.00 0.00 34.13 30.13 1xpn s GLU 134 CO 0.00 -1.27 0.26 -1.17 -0.54 0.00 0.00 175.26 172.54 1xpn s LEU 135 N 1.60 5.33 -0.06 2.70 2.96 -0.50 -4.79 118.68 125.92 1xpn s LEU 135 Ca 0.03 -1.79 0.04 0.00 -0.22 0.00 0.00 54.13 52.19 1xpn s LEU 135 Cb -0.29 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1xpn s LEU 135 CO 0.03 -0.59 -0.16 0.42 -1.32 0.00 0.00 176.35 174.74 1xpn s THR 136 N 1.32 2.89 0.06 3.68 -4.23 -1.26 -0.90 115.64 117.19 1xpn s THR 136 Ca 0.05 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1xpn s THR 136 Cb -0.24 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.47 1xpn s THR 136 CO -0.01 0.58 0.16 -1.66 -0.54 0.00 0.00 174.62 173.15 1xpn s TRP 137 N -0.52 0.15 -0.17 3.99 -2.14 -0.86 -4.98 118.94 114.41 1xpn s TRP 137 Ca 0.07 -0.49 -0.08 0.00 2.66 0.00 0.00 56.10 58.26 1xpn s TRP 137 Cb -0.12 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.12 1xpn s TRP 137 CO 0.01 -0.45 0.09 -1.12 -2.66 0.00 0.00 176.95 172.82 1xpn s SER 138 N -2.43 5.91 0.36 -2.66 0.01 -1.26 0.25 113.70 113.89 1xpn s SER 138 Ca -0.01 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1xpn s SER 138 Cb 0.02 -1.99 -0.06 0.00 0.21 0.00 0.00 66.02 64.20 1xpn s SER 138 CO -0.07 0.23 0.05 0.00 0.41 0.00 0.00 173.24 173.86 1xpn s ALA 139 N 0.05 2.71 -0.24 1.44 0.00 0.11 -4.94 121.76 120.89 1xpn s ALA 139 Ca 0.07 -2.01 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 1xpn s ALA 139 Cb -0.12 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 1xpn s ALA 139 CO 0.00 -0.24 0.08 -0.65 0.00 0.00 0.00 175.76 174.95 1xpn s GLN 140 N -3.83 3.76 0.00 0.00 -1.52 -1.26 -0.57 119.66 116.24 1xpn s GLN 140 Ca 0.34 -0.43 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 1xpn s GLN 140 Cb 0.08 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 1xpn s GLN 140 CO 0.16 -0.09 0.00 0.45 -0.25 0.00 0.00 175.29 175.56 1xpn n SER 141 N 4.64 0.00 -0.73 5.90 2.88 0.02 -4.81 113.62 121.52 1xpn n SER 141 Ca -0.16 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.45 1xpn n SER 141 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.18 1xpn n SER 141 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1xpn n ASP 142 N -0.11 3.40 0.00 -3.46 5.75 -1.26 -4.82 116.55 116.05 1xpn n ASP 142 Ca 0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1xpn n ASP 142 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xpn n GLY 143 N -0.18 1.86 3.83 6.12 0.00 -1.26 -5.11 105.19 110.46 1xpn n GLY 143 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 4.07 -0.39 1.61 -0.14 -1.26 -5.05 119.74 118.58 1xpn s LYS 144 Ca 0.00 0.63 -0.19 0.00 -1.36 0.00 0.00 55.97 55.05 1xpn s LYS 144 Cb 0.00 -2.88 0.01 0.00 -1.68 0.00 0.00 37.83 33.28 1xpn s LYS 144 CO 0.00 0.43 0.57 0.99 -0.76 0.00 0.00 175.35 176.58 1xpn s THR 145 N -1.52 4.94 0.10 2.17 2.01 -1.26 -0.80 115.64 121.29 1xpn s THR 145 Ca 0.41 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1xpn s THR 145 Cb -0.15 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1xpn s THR 145 CO 0.20 -0.39 0.07 0.27 -0.69 0.00 0.00 174.62 174.08 1xpn s ILE 146 N 2.56 4.39 -0.41 1.82 -4.36 0.27 -4.89 121.20 120.58 1xpn s ILE 146 Ca 0.20 -0.89 -0.17 0.00 -0.26 0.00 0.00 60.65 59.53 1xpn s ILE 146 Cb -0.15 -3.14 0.02 0.00 1.25 0.00 0.00 42.46 40.44 1xpn s ILE 146 CO 0.16 0.07 0.43 -0.89 0.24 0.00 0.00 174.94 174.95 1xpn s THR 147 N -1.45 5.09 0.62 8.37 2.01 -1.26 0.04 115.64 129.07 1xpn s THR 147 Ca 0.29 -0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1xpn s THR 147 Cb -0.12 -4.02 0.10 0.00 0.01 0.00 0.00 72.50 68.47 1xpn s THR 147 CO 0.21 -0.39 0.86 -1.61 -0.69 0.00 0.00 174.62 173.00 1xpn s GLU 148 N 2.13 2.09 3.85 4.92 2.02 0.14 -2.36 118.70 131.49 1xpn s GLU 148 Ca 0.12 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1xpn s GLU 148 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.52 1xpn s GLU 148 CO 0.13 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1xpn n GLY 149 N -2.45 0.49 0.00 -1.39 0.00 -1.26 -2.03 105.19 98.56 1xpn n GLY 149 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.55 3.47 -0.02 0.00 -0.07 0.00 105.19 109.12 1xpn n GLY 150 Ca 0.00 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.37 4.48 -0.24 2.61 -4.23 -0.53 -1.41 115.64 115.96 1xpn s THR 151 Ca 0.00 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.22 1xpn s THR 151 Cb 0.00 -4.55 -0.05 0.00 1.34 0.00 0.00 72.50 69.25 1xpn s THR 151 CO 0.00 -1.19 0.21 0.54 -0.54 0.00 0.00 174.62 173.65 1xpn s VAL 152 N 3.68 5.32 -0.13 2.29 0.11 -0.04 -0.83 120.40 130.80 1xpn s VAL 152 Ca 0.23 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1xpn s VAL 152 Cb -0.16 -3.55 -0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1xpn s VAL 152 CO 0.14 0.31 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.14 1xpn s THR 153 N 1.26 2.53 -0.23 5.04 2.01 -1.25 -1.44 115.64 123.56 1xpn s THR 153 Ca 0.10 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1xpn s THR 153 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 1xpn s THR 153 CO 0.06 0.53 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.76 1xpn s LYS 154 N 0.54 3.37 -0.31 4.92 2.47 0.75 -4.84 119.74 126.65 1xpn s LYS 154 Ca -0.11 -0.64 -0.28 0.00 -1.56 0.00 0.00 55.97 53.38 1xpn s LYS 154 Cb -0.16 -3.09 0.01 0.00 -1.46 0.00 0.00 37.83 33.13 1xpn s LYS 154 CO 0.04 -0.23 1.03 -1.17 0.16 0.00 0.00 175.35 175.19 1xpn s LEU 155 N 1.50 3.97 -0.07 5.43 2.96 -1.26 -1.16 118.68 130.04 1xpn s LEU 155 Ca 0.05 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1xpn s LEU 155 Cb -0.15 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1xpn s LEU 155 CO -0.02 -0.82 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.33 1xpn s VAL 156 N 3.51 1.50 -0.46 1.68 1.01 -0.79 -5.01 120.40 121.83 1xpn s VAL 156 Ca 0.44 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1xpn s VAL 156 Cb -0.13 -1.32 0.12 0.00 0.00 0.00 0.00 36.38 35.05 1xpn s VAL 156 CO 0.14 0.43 0.21 0.28 0.00 0.00 0.00 175.10 176.16 1xpn s THR 157 N 0.47 2.74 -0.84 3.92 -1.32 -1.26 -0.62 115.64 118.72 1xpn s THR 157 Ca -0.15 -2.80 -0.26 0.00 -1.21 0.00 0.00 61.69 57.28 1xpn s THR 157 Cb -0.16 -2.91 0.04 0.00 -1.51 0.00 0.00 72.50 67.96 1xpn s THR 157 CO 0.05 -0.73 1.34 -0.69 -2.21 0.00 0.00 174.62 172.38 1xpn s VAL 158 N 0.31 3.80 -0.85 5.08 1.01 0.23 -4.87 120.40 125.10 1xpn s VAL 158 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1xpn s VAL 158 Cb -0.22 -4.97 0.32 0.00 0.00 0.00 0.00 36.38 31.51 1xpn s VAL 158 CO -0.04 -1.88 1.42 -1.20 0.00 0.00 0.00 175.10 173.40 1xpn n SER 159 N 9.18 6.05 0.00 3.32 7.64 -1.26 -0.09 113.62 138.46 1xpn n SER 159 Ca 0.14 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.36 1xpn n SER 159 Cb 0.50 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1xpn n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 160 N 0.04 -0.56 1.38 0.23 0.00 -1.26 -5.03 105.19 100.00 1xpn n GLY 160 Ca 0.38 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.60 -4.91 1.61 7.64 -1.26 -4.63 113.62 112.67 1xpn n SER 161 Ca 0.00 -2.00 -0.31 0.00 1.01 0.00 0.00 58.87 57.57 1xpn n SER 161 Cb 0.00 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 1xpn n SER 161 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xpn s GLN 162 N 0.00 3.57 -0.34 1.43 -0.21 -1.26 -4.64 119.66 118.21 1xpn s GLN 162 Ca 0.27 -0.19 -0.27 0.00 0.02 0.00 0.00 55.36 55.18 1xpn s GLN 162 Cb 0.31 -2.89 -0.06 0.00 1.00 0.00 0.00 33.01 31.37 1xpn s GLN 162 CO -0.13 0.49 2.31 -2.14 -2.12 0.00 0.00 175.29 173.70 1xpn s PRO 163 N -2.70 2.67 -0.39 2.91 0.02 -1.25 -4.25 135.00 132.00 1xpn s PRO 163 Ca 0.39 1.77 -0.15 0.00 0.02 0.00 0.00 61.00 63.04 1xpn s PRO 163 Cb -0.12 -4.47 0.01 0.00 0.02 0.00 0.00 34.50 29.94 1xpn s PRO 163 CO 0.26 -2.63 0.31 -1.14 -0.33 0.00 0.00 177.00 173.47 1xpn s GLN 164 N 7.20 3.14 -0.28 5.54 0.74 0.12 -4.92 119.66 131.19 1xpn s GLN 164 Ca 1.00 -0.86 -0.29 0.00 0.05 0.00 0.00 55.36 55.25 1xpn s GLN 164 Cb -0.26 -3.93 0.01 0.00 1.10 0.00 0.00 33.01 29.93 1xpn s GLN 164 CO 0.31 -0.69 1.11 0.21 -0.55 0.00 0.00 175.29 175.69 1xpn s LYS 165 N 1.78 4.11 -0.09 1.67 2.20 -1.26 -1.13 119.74 127.02 1xpn s LYS 165 Ca 0.07 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1xpn s LYS 165 Cb -0.18 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1xpn s LYS 165 CO 0.11 -0.84 -0.16 0.08 -0.36 0.00 0.00 175.35 174.18 1xpn s VAL 166 N 3.61 1.49 -0.43 4.02 1.01 0.73 -4.95 120.40 125.87 1xpn s VAL 166 Ca 0.47 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1xpn s VAL 166 Cb -0.14 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xpn s VAL 166 CO 0.14 0.44 0.51 -0.76 0.00 0.00 0.00 175.10 175.42 1xpn s LEU 167 N 0.75 4.80 -1.14 3.92 1.43 -1.26 -1.80 118.68 125.37 1xpn s LEU 167 Ca -0.12 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.16 1xpn s LEU 167 Cb -0.16 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.66 1xpn s LEU 167 CO 0.02 -0.66 1.53 -0.22 0.23 0.00 0.00 176.35 177.26 1xpn s LEU 168 N 2.35 3.93 0.28 1.79 2.96 0.13 -4.89 118.68 125.21 1xpn s LEU 168 Ca 0.15 -2.05 0.03 0.00 -0.22 0.00 0.00 54.13 52.04 1xpn s LEU 168 Cb -0.17 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1xpn s LEU 168 CO 0.15 -1.26 0.17 0.28 -1.32 0.00 0.00 176.35 174.37 1xpn s THR 169 N 4.15 0.18 -2.62 3.68 -1.32 -1.26 -1.40 115.64 117.04 1xpn s THR 169 Ca 0.48 -2.00 0.27 0.00 -1.21 0.00 0.00 61.69 59.23 1xpn s THR 169 Cb 0.01 -2.51 0.46 0.00 -1.51 0.00 0.00 72.50 68.95 1xpn s THR 169 CO -0.02 0.00 1.63 -1.14 -2.21 0.00 0.00 174.62 172.88