#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn n SER 2 N 0.00 1.17 -4.56 1.61 3.41 -1.26 -4.87 113.62 109.13 1xpn n SER 2 Ca 0.00 -0.94 -0.38 0.00 -0.26 0.00 0.00 58.87 57.29 1xpn n SER 2 Cb 0.00 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1xpn n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xpn n SER 3 N -0.74 2.42 0.07 4.04 7.64 -1.26 -4.76 113.62 121.03 1xpn n SER 3 Ca 0.09 -0.35 0.10 0.00 1.01 0.00 0.00 58.87 59.72 1xpn n SER 3 Cb 0.37 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 61.98 1xpn n SER 3 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1xpn n HIS 4 N 14.94 0.82 -1.25 1.43 -0.00 -1.26 -4.18 115.22 125.71 1xpn n HIS 4 Ca 0.37 0.24 -0.37 0.00 -0.00 0.00 0.00 57.72 57.96 1xpn n HIS 4 Cb 0.51 -0.91 -0.03 0.00 -0.00 0.00 0.00 29.99 29.56 1xpn n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xpn n HIS 5 N -2.65 2.34 -2.77 1.57 -0.00 -1.26 -4.24 115.22 108.21 1xpn n HIS 5 Ca -0.02 -2.93 -0.09 0.00 -0.00 0.00 0.00 57.72 54.68 1xpn n HIS 5 Cb 0.60 -2.38 0.07 0.00 -0.00 0.00 0.00 29.99 28.27 1xpn n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1xpn n HIS 6 N 3.85 -2.88 -3.77 4.41 -0.00 -1.26 -5.09 115.22 110.48 1xpn n HIS 6 Ca 0.72 -2.09 -0.35 0.00 -0.00 0.00 0.00 57.72 56.01 1xpn n HIS 6 Cb 0.23 1.48 -0.11 0.00 -0.00 0.00 0.00 29.99 31.59 1xpn n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1xpn s HIS 7 N 0.30 3.36 -0.15 1.57 0.00 -1.26 -5.07 115.29 114.05 1xpn s HIS 7 Ca 0.27 -2.82 -0.09 0.00 -3.00 0.00 0.00 55.06 49.42 1xpn s HIS 7 Cb 0.27 -3.12 -0.05 0.00 -4.00 0.00 0.00 32.58 25.68 1xpn s HIS 7 CO -0.13 -0.82 0.17 -1.58 -1.00 0.00 0.00 174.74 171.38 1xpn s HIS 8 N -0.12 3.53 1.08 0.38 5.65 -1.26 -5.10 115.29 119.45 1xpn s HIS 8 Ca 0.17 0.49 -0.18 0.00 0.25 0.00 0.00 55.06 55.79 1xpn s HIS 8 Cb -0.21 -2.08 0.25 0.00 -1.18 0.00 0.00 32.58 29.35 1xpn s HIS 8 CO -0.03 0.52 1.23 -1.01 -0.65 0.00 0.00 174.74 174.80 1xpn s HIS 9 N -0.39 0.99 0.33 3.88 4.02 -1.26 -4.97 115.29 117.89 1xpn s HIS 9 Ca 0.13 0.37 -0.29 0.00 1.02 0.00 0.00 55.06 56.30 1xpn s HIS 9 Cb -0.12 -3.83 -0.12 0.00 -1.02 0.00 0.00 32.58 27.49 1xpn s HIS 9 CO 0.02 -3.28 1.47 0.43 1.02 0.00 0.00 174.74 174.41 1xpn n SER 10 N -4.26 3.49 -4.56 1.40 7.64 -1.26 -4.87 113.62 111.20 1xpn n SER 10 Ca 0.15 1.19 -0.33 0.00 1.01 0.00 0.00 58.87 60.89 1xpn n SER 10 Cb 0.59 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 1xpn n SER 10 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xpn s SER 11 N 0.08 5.66 0.00 6.43 1.04 -1.26 -4.89 113.70 120.75 1xpn s SER 11 Ca 0.59 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1xpn s SER 11 Cb -0.52 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.04 1xpn s SER 11 CO 0.57 -2.26 0.00 0.61 0.98 0.00 0.00 173.24 173.14 1xpn n GLY 12 N 6.73 4.54 3.36 7.32 0.00 -1.26 -5.10 105.19 120.77 1xpn n GLY 12 Ca 0.35 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1xpn n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpn s LEU 13 N 0.00 4.38 -0.40 0.99 1.43 -1.26 -5.05 118.68 118.77 1xpn s LEU 13 Ca 0.00 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1xpn s LEU 13 Cb 0.00 -1.96 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1xpn s LEU 13 CO 0.00 -0.31 0.15 0.68 0.23 0.00 0.00 176.35 177.10 1xpn s VAL 14 N 1.52 2.79 0.17 -1.59 -7.23 -1.26 -5.09 120.40 109.71 1xpn s VAL 14 Ca 0.02 -2.36 -0.31 0.00 -1.81 0.00 0.00 61.98 57.51 1xpn s VAL 14 Cb -0.19 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.69 1xpn s VAL 14 CO 0.05 -0.67 1.50 -2.84 -0.31 0.00 0.00 175.10 172.83 1xpn s PRO 15 N 0.82 4.25 0.13 4.82 0.02 -1.26 -4.96 135.00 138.82 1xpn s PRO 15 Ca 0.11 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 1xpn s PRO 15 Cb -0.21 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 1xpn s PRO 15 CO -0.06 -0.53 1.20 1.03 -0.33 0.00 0.00 177.00 178.32 1xpn s ARG 16 N 0.85 4.46 0.00 5.54 3.00 -1.26 -3.63 118.95 127.91 1xpn s ARG 16 Ca 0.67 1.83 0.00 0.00 0.00 0.00 0.00 55.73 58.23 1xpn s ARG 16 Cb -0.42 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 31.24 1xpn s ARG 16 CO 0.33 -0.17 0.00 0.41 0.00 0.00 0.00 175.30 175.87 1xpn n GLY 17 N 2.71 1.98 1.57 -3.53 0.00 -1.26 -4.88 105.19 101.78 1xpn n GLY 17 Ca 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1xpn n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xpn n SER 18 N 4.00 -0.77 -2.22 1.61 2.88 -1.24 -5.18 113.62 112.70 1xpn n SER 18 Ca 0.00 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.10 1xpn n SER 18 Cb 0.00 1.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.71 1xpn n SER 18 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1xpn n HIS 19 N -0.28 -0.68 -0.10 0.66 -0.00 -1.26 -4.63 115.22 108.93 1xpn n HIS 19 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.77 1xpn n HIS 19 Cb 0.24 0.00 0.41 0.00 -0.00 0.00 0.00 29.99 30.64 1xpn n HIS 19 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 1xpn h MET 20 N 0.00 0.59 0.00 -0.41 2.86 -2.01 -3.42 114.93 112.55 1xpn h MET 20 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1xpn h MET 20 Cb 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1xpn h MET 20 CO 0.00 0.39 0.00 0.00 1.06 0.00 0.00 176.91 178.36 1xpn n ALA 21 N -2.47 2.16 -1.00 6.32 0.00 -1.26 -5.12 120.51 119.13 1xpn n ALA 21 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xpn n ALA 21 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1xpn n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xpn n SER 22 N -3.16 0.00 -3.68 0.00 2.88 -1.26 -5.02 113.62 103.37 1xpn n SER 22 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1xpn n SER 22 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1xpn n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xpn s ASN 23 N 2.00 0.04 -1.07 -3.46 2.20 -1.26 -4.63 114.94 108.76 1xpn s ASN 23 Ca 0.00 0.65 -0.22 0.00 -0.94 0.00 0.00 52.86 52.35 1xpn s ASN 23 Cb 0.00 0.71 0.01 0.00 -2.00 0.00 0.00 41.25 39.97 1xpn s ASN 23 CO 0.00 -0.22 1.70 -2.84 -2.94 0.00 0.00 177.10 172.81 1xpn s PRO 24 N 2.05 3.26 0.09 3.55 0.02 -1.26 -4.67 135.00 138.03 1xpn s PRO 24 Ca -0.03 -1.10 0.17 0.00 0.02 0.00 0.00 61.00 60.06 1xpn s PRO 24 Cb -0.11 -5.31 -0.11 0.00 0.02 0.00 0.00 34.50 28.99 1xpn s PRO 24 CO -0.09 -2.76 0.89 -0.97 -0.33 0.00 0.00 177.00 173.74 1xpn h ASN 25 N 9.70 0.00 0.00 2.53 -1.24 -2.01 -3.38 115.58 121.18 1xpn h ASN 25 Ca 0.23 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.57 1xpn h ASN 25 Cb 0.97 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 1xpn h ASN 25 CO 1.35 0.53 2.97 0.47 -1.29 0.00 0.00 177.43 181.46 1xpn n ASP 26 N -2.90 4.13 -2.95 1.15 8.00 -1.26 -4.10 116.55 118.61 1xpn n ASP 26 Ca -0.08 -2.73 -0.12 0.00 0.71 0.00 0.00 54.79 52.57 1xpn n ASP 26 Cb 0.81 -1.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.46 1xpn n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xpn n LEU 27 N 6.07 -7.05 -4.95 0.64 4.77 -1.26 -5.03 117.00 110.17 1xpn n LEU 27 Ca 0.54 0.52 -0.27 0.00 -0.03 0.00 0.00 56.01 56.77 1xpn n LEU 27 Cb 0.36 -3.09 0.14 0.00 -2.33 0.00 0.00 43.42 38.50 1xpn n LEU 27 CO 0.92 -2.08 0.73 -2.16 -1.33 0.00 0.00 177.39 173.47 1xpn s PRO 28 N -2.45 1.20 0.01 3.23 0.04 -1.26 -5.09 135.00 130.68 1xpn s PRO 28 Ca 0.24 -0.66 -0.09 0.00 0.04 0.00 0.00 61.00 60.53 1xpn s PRO 28 Cb -0.06 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1xpn s PRO 28 CO 0.77 -1.93 0.31 0.34 0.04 0.00 0.00 177.00 176.54 1xpn s ASP 29 N -4.79 6.58 0.00 6.66 2.15 -1.26 -4.50 116.67 121.51 1xpn s ASP 29 Ca 0.70 0.69 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1xpn s ASP 29 Cb -0.05 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1xpn s ASP 29 CO 0.49 0.27 0.00 0.49 -0.17 0.00 0.00 175.17 176.25 1xpn n PHE 30 N 1.32 0.00 0.77 -5.34 3.72 -1.26 -4.95 117.46 111.72 1xpn n PHE 30 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1xpn n PHE 30 Cb 0.53 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1xpn n PHE 30 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xpn n PRO 31 N 0.00 0.39 -0.02 -1.08 -0.02 -1.26 -2.61 135.00 130.40 1xpn n PRO 31 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1xpn n PRO 31 Cb 0.00 -1.04 0.55 0.00 -0.02 0.00 0.00 33.50 32.99 1xpn n PRO 31 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpn n GLU 32 N -0.54 1.17 -0.28 -0.52 4.71 -1.26 -4.01 120.64 119.91 1xpn n GLU 32 Ca 0.01 -0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.04 1xpn n GLU 32 Cb 0.00 -1.34 0.40 0.00 -1.01 0.00 0.00 31.44 29.49 1xpn n GLU 32 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1xpn h HIS 33 N 0.53 0.80 0.00 -0.32 3.86 -1.93 0.03 115.15 118.11 1xpn h HIS 33 Ca 0.00 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1xpn h HIS 33 Cb 0.11 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1xpn h HIS 33 CO 0.02 0.26 -0.58 0.93 0.86 0.00 0.00 177.93 179.43 1xpn h GLU 34 N 0.65 0.00 0.00 2.45 3.07 -1.89 -2.51 114.58 116.34 1xpn h GLU 34 Ca 0.47 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1xpn h GLU 34 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1xpn h GLU 34 CO -0.22 0.58 -0.20 1.88 -1.40 0.00 0.00 179.01 179.64 1xpn h TYR 35 N 0.00 0.00 -0.32 4.33 -1.99 -1.26 -0.79 116.97 116.93 1xpn h TYR 35 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1xpn h TYR 35 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 1xpn h TYR 35 CO 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 178.16 178.36 1xpn n ALA 36 N -2.36 2.45 -1.06 3.88 0.00 -0.98 -4.09 120.51 118.35 1xpn n ALA 36 Ca -0.02 -0.84 0.08 0.00 0.00 0.00 0.00 53.44 52.66 1xpn n ALA 36 Cb 0.30 -0.94 0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 1.12 2.20 -3.20 0.00 0.00 -0.33 -4.93 120.51 115.37 1xpn n ALA 37 Ca 0.18 -2.30 -0.46 0.00 0.00 0.00 0.00 53.44 50.87 1xpn n ALA 37 Cb 0.52 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 1xpn n ALA 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xpn s THR 38 N -2.39 5.28 0.00 0.00 2.01 -1.02 -4.99 115.64 114.52 1xpn s THR 38 Ca 0.26 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1xpn s THR 38 Cb 0.22 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1xpn s THR 38 CO 0.02 -1.17 0.00 0.00 -0.69 0.00 0.00 174.62 172.79 1xpn n GLN 39 N 4.95 2.35 -0.72 4.92 3.00 -1.26 -5.10 117.38 125.52 1xpn n GLN 39 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1xpn n GLN 39 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 1xpn n GLN 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1xpn n GLN 40 N 0.00 0.00 -2.86 -1.09 6.02 -1.26 -4.92 117.38 113.27 1xpn n GLN 40 Ca 0.00 0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 57.01 1xpn n GLN 40 Cb 0.00 -0.27 -0.04 0.00 1.02 0.00 0.00 30.24 30.95 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpn s VAL 41 N 0.00 4.37 0.60 5.09 1.01 -1.26 -4.36 120.40 125.85 1xpn s VAL 41 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1xpn s VAL 41 Cb 0.00 -4.59 0.05 0.00 0.00 0.00 0.00 36.38 31.84 1xpn s VAL 41 CO 0.00 -1.25 0.85 -0.83 0.00 0.00 0.00 175.10 173.87 1xpn s GLY 42 N 3.19 1.79 -0.22 4.51 0.00 -1.25 -4.91 107.32 110.43 1xpn s GLY 42 Ca 0.26 -1.27 0.13 0.00 0.00 0.00 0.00 44.72 43.85 1xpn s GLY 42 CO 0.15 -0.93 1.41 0.61 0.00 0.00 0.00 173.10 174.34 1xpn n GLY 43 N -2.52 4.52 3.62 0.20 0.00 -1.20 -1.95 105.19 107.86 1xpn n GLY 43 Ca 0.09 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.32 0.96 -0.68 -0.02 0.00 -0.47 -4.57 107.32 100.22 1xpn s GLY 44 Ca 0.42 0.66 -0.21 0.00 0.00 0.00 0.00 44.72 45.59 1xpn s GLY 44 CO 0.04 3.37 0.92 0.14 0.00 0.00 0.00 173.10 177.58 1xpn s VAL 45 N 6.35 4.49 -0.72 1.40 1.01 -1.07 -4.01 120.40 127.84 1xpn s VAL 45 Ca 0.85 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1xpn s VAL 45 Cb -0.30 -4.65 0.18 0.00 0.00 0.00 0.00 36.38 31.61 1xpn s VAL 45 CO 0.34 -1.39 0.68 -0.63 0.00 0.00 0.00 175.10 174.10 1xpn s ILE 46 N 3.57 5.42 -0.09 2.22 1.01 -0.74 -0.18 121.20 132.42 1xpn s ILE 46 Ca 0.21 -2.05 -0.04 0.00 0.00 0.00 0.00 60.65 58.76 1xpn s ILE 46 Cb -0.17 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1xpn s ILE 46 CO 0.07 -0.99 0.09 0.54 0.00 0.00 0.00 174.94 174.65 1xpn s ASN 47 N 2.76 5.92 0.05 3.58 6.03 0.08 0.24 114.94 133.61 1xpn s ASN 47 Ca 0.13 0.32 -0.06 0.00 -1.03 0.00 0.00 52.86 52.22 1xpn s ASN 47 Cb -0.17 -1.82 -0.01 0.00 -3.03 0.00 0.00 41.25 36.22 1xpn s ASN 47 CO -0.04 0.38 0.11 -0.83 -2.03 0.00 0.00 177.10 174.68 1xpn s GLY 48 N -1.11 0.19 -0.21 0.45 0.00 0.10 -0.97 107.32 105.77 1xpn s GLY 48 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1xpn s GLY 48 CO 0.05 -0.80 -0.11 0.99 0.00 0.00 0.00 173.10 173.23 1xpn s ASP 49 N -2.45 3.79 -0.16 1.64 1.11 -0.85 -1.37 116.67 118.39 1xpn s ASP 49 Ca -0.00 -0.59 -0.15 0.00 0.18 0.00 0.00 52.55 51.98 1xpn s ASP 49 Cb 0.02 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.35 1xpn s ASP 49 CO -0.07 -0.03 0.37 -0.22 1.18 0.00 0.00 175.17 176.40 1xpn s LEU 50 N 1.37 4.23 -0.29 1.23 2.96 -0.47 0.00 118.68 127.71 1xpn s LEU 50 Ca 0.04 0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 54.38 1xpn s LEU 50 Cb -0.14 -2.49 0.15 0.00 0.50 0.00 0.00 46.19 44.21 1xpn s LEU 50 CO -0.08 0.03 1.00 -0.72 -1.32 0.00 0.00 176.35 175.26 1xpn s TYR 51 N 0.69 -0.53 -0.01 5.38 1.13 -0.97 -4.38 117.35 118.66 1xpn s TYR 51 Ca 0.20 1.08 0.07 0.00 -1.41 0.00 0.00 57.07 57.01 1xpn s TYR 51 Cb -0.14 0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1xpn s TYR 51 CO 0.06 -0.26 -0.23 -0.51 -2.51 0.00 0.00 175.55 172.10 1xpn s LEU 52 N 1.26 2.26 -0.03 -3.49 1.43 -0.25 -4.43 118.68 115.43 1xpn s LEU 52 Ca -0.08 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1xpn s LEU 52 Cb -0.04 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1xpn s LEU 52 CO -0.14 0.31 0.56 0.42 0.23 0.00 0.00 176.35 177.72 1xpn s THR 53 N -0.70 4.97 0.77 5.49 -4.23 -1.26 -0.40 115.64 120.29 1xpn s THR 53 Ca 0.11 1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 61.72 1xpn s THR 53 Cb -0.10 -3.89 0.16 0.00 1.34 0.00 0.00 72.50 70.01 1xpn s THR 53 CO 0.00 0.41 1.05 -1.54 -0.54 0.00 0.00 174.62 174.01 1xpn n SER 54 N 2.83 0.88 0.17 3.99 3.41 -0.23 -4.92 113.62 119.75 1xpn n SER 54 Ca -0.07 -1.87 0.02 0.00 -0.26 0.00 0.00 58.87 56.69 1xpn n SER 54 Cb 0.51 -0.73 0.29 0.00 -0.26 0.00 0.00 64.21 64.03 1xpn n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xpn h ALA 55 N -1.01 1.09 0.00 7.33 0.00 -1.98 -2.46 119.26 122.23 1xpn h ALA 55 Ca -0.34 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 53.96 1xpn h ALA 55 Cb 1.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xpn h ALA 55 CO 0.32 0.58 -0.89 1.03 0.00 0.00 0.00 179.25 180.28 1xpn h SER 56 N 0.00 0.02 0.00 0.00 0.87 -2.04 -3.47 113.55 108.93 1xpn h SER 56 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1xpn h SER 56 Cb 0.90 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1xpn h SER 56 CO 0.06 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1xpn n GLY 57 N 1.02 1.90 3.86 5.77 0.00 -0.92 -5.11 105.19 111.71 1xpn n GLY 57 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 -0.44 4.61 0.00 -1.26 -4.80 121.76 121.67 1xpn s ALA 58 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 1xpn s ALA 58 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1xpn s ALA 58 CO 0.00 0.57 0.52 0.42 0.00 0.00 0.00 175.76 177.27 1xpn s ILE 59 N -1.06 4.99 -0.52 0.00 1.01 -1.26 -1.07 121.20 123.29 1xpn s ILE 59 Ca 0.19 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 1xpn s ILE 59 Cb -0.14 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1xpn s ILE 59 CO 0.08 -0.55 0.80 -1.10 0.00 0.00 0.00 174.94 174.18 1xpn s GLN 60 N 2.38 3.27 0.10 2.79 -1.52 0.47 -4.88 119.66 122.26 1xpn s GLN 60 Ca 0.15 -0.46 0.25 0.00 -1.95 0.00 0.00 55.36 53.35 1xpn s GLN 60 Cb -0.17 -4.05 0.97 0.00 -0.22 0.00 0.00 33.01 29.54 1xpn s GLN 60 CO 0.14 -1.33 1.78 1.63 -0.25 0.00 0.00 175.29 177.26 1xpn n LYS 61 N 6.89 0.10 -1.83 2.91 4.76 -1.26 -1.09 118.16 128.64 1xpn n LYS 61 Ca -0.01 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1xpn n LYS 61 Cb 0.47 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 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 0.99 -1.77 3.54 0.72 0.00 -1.26 -4.12 105.19 103.29 1xpn n GLY 62 Ca 0.05 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.02 4.19 -0.66 2.61 2.01 -1.26 -4.12 115.64 117.39 1xpn s THR 63 Ca 0.04 0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.48 1xpn s THR 63 Cb -0.01 -4.65 0.01 0.00 0.01 0.00 0.00 72.50 67.86 1xpn s THR 63 CO 0.20 -1.28 0.67 -3.20 -0.69 0.00 0.00 174.62 170.32 1xpn n ASN 64 N 7.99 -7.72 -4.11 3.53 2.85 -0.98 -5.03 115.26 111.79 1xpn n ASN 64 Ca 0.04 0.06 -0.23 0.00 -0.11 0.00 0.00 54.58 54.34 1xpn n ASN 64 Cb 0.48 -5.18 -0.15 0.00 1.24 0.00 0.00 39.78 36.17 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 -2.88 1.16 -0.37 -0.44 2.01 -1.24 -4.84 115.64 109.05 1xpn s THR 65 Ca 0.07 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1xpn s THR 65 Cb -0.02 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1xpn s THR 65 CO 0.76 0.33 1.39 -0.54 -0.69 0.00 0.00 174.62 175.87 1xpn s LYS 66 N -0.20 3.69 -0.33 4.92 1.02 -1.26 -0.76 119.74 126.82 1xpn s LYS 66 Ca 0.03 1.07 -0.14 0.00 0.02 0.00 0.00 55.97 56.94 1xpn s LYS 66 Cb -0.07 -3.98 -0.02 0.00 -0.52 0.00 0.00 37.83 33.24 1xpn s LYS 66 CO 0.00 -1.41 0.33 0.08 -0.92 0.00 0.00 175.35 173.43 1xpn s VAL 67 N 5.09 5.20 -0.15 3.17 1.01 0.06 -4.35 120.40 130.43 1xpn s VAL 67 Ca 0.60 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1xpn s VAL 67 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1xpn s VAL 67 CO 0.29 -0.03 0.07 0.00 0.00 0.00 0.00 175.10 175.44 1xpn s ALA 68 N 1.95 3.50 -0.21 5.51 0.00 -0.87 0.16 121.76 131.80 1xpn s ALA 68 Ca 0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xpn s ALA 68 Cb -0.17 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1xpn s ALA 68 CO 0.11 0.36 -0.10 -1.17 0.00 0.00 0.00 175.76 174.96 1xpn s LEU 69 N -0.20 2.70 0.11 0.00 2.96 0.17 -0.15 118.68 124.26 1xpn s LEU 69 Ca 0.08 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1xpn s LEU 69 Cb -0.12 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1xpn s LEU 69 CO 0.01 -0.04 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.99 1xpn s GLU 70 N 1.37 1.09 0.44 1.98 -1.05 0.18 -1.73 118.70 120.99 1xpn s GLU 70 Ca 0.04 -1.18 -0.23 0.00 -0.15 0.00 0.00 54.97 53.45 1xpn s GLU 70 Cb -0.14 -1.24 -0.08 0.00 -0.44 0.00 0.00 34.13 32.23 1xpn s GLU 70 CO -0.07 0.27 1.10 -2.14 0.95 0.00 0.00 175.26 175.37 1xpn s PRO 71 N -2.13 3.90 -0.47 -4.83 0.02 -1.26 -0.15 135.00 130.07 1xpn s PRO 71 Ca 0.07 1.60 -0.25 0.00 0.02 0.00 0.00 61.00 62.45 1xpn s PRO 71 Cb -0.09 -2.39 0.03 0.00 0.02 0.00 0.00 34.50 32.07 1xpn s PRO 71 CO 0.04 -0.39 0.91 0.00 -0.33 0.00 0.00 177.00 177.23 1xpn s ALA 72 N -1.66 3.23 0.19 -1.55 0.00 -1.04 -4.77 121.76 116.15 1xpn s ALA 72 Ca 0.62 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.78 1xpn s ALA 72 Cb -0.24 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1xpn s ALA 72 CO 0.29 -2.10 -0.20 0.95 0.00 0.00 0.00 175.76 174.71 1xpn s THR 73 N 3.72 2.03 -1.05 0.00 -4.23 -1.26 -4.98 115.64 109.87 1xpn s THR 73 Ca 0.35 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 59.11 1xpn s THR 73 Cb -0.11 -1.98 0.24 0.00 1.34 0.00 0.00 72.50 72.00 1xpn s THR 73 CO 0.25 -0.28 1.83 -1.54 -0.54 0.00 0.00 174.62 174.34 1xpn n SER 74 N 0.16 0.00 -0.02 3.99 3.41 -1.26 -2.71 113.62 117.19 1xpn n SER 74 Ca -0.12 0.44 -0.06 0.00 -0.26 0.00 0.00 58.87 58.87 1xpn n SER 74 Cb 0.57 -0.48 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1xpn n SER 74 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1xpn h TYR 75 N 0.00 0.68 -0.36 7.33 3.20 -1.96 -3.16 116.97 122.69 1xpn h TYR 75 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1xpn h TYR 75 Cb 0.42 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1xpn h TYR 75 CO 0.00 0.81 0.00 -1.33 -1.64 0.00 0.00 178.16 176.00 1xpn n MET 76 N -4.10 2.95 -0.24 1.82 2.81 -1.10 -4.24 117.12 115.02 1xpn n MET 76 Ca -0.00 -1.77 -0.03 0.00 -1.81 0.00 0.00 57.70 54.09 1xpn n MET 76 Cb 0.44 -1.79 0.08 0.00 -0.71 0.00 0.00 33.22 31.24 1xpn n MET 76 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1xpn h LYS 77 N 2.39 0.79 -0.23 0.03 1.57 -1.69 0.39 116.57 119.82 1xpn h LYS 77 Ca 0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1xpn h LYS 77 Cb 1.16 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1xpn h LYS 77 CO 0.21 0.52 -0.21 0.00 -0.57 0.00 0.00 179.45 179.40 1xpn h ALA 78 N 1.31 0.34 -0.92 3.86 0.00 -1.74 -2.28 119.26 119.83 1xpn h ALA 78 Ca 0.28 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xpn h ALA 78 Cb 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1xpn h ALA 78 CO -0.12 0.28 0.61 -0.92 0.00 0.00 0.00 179.25 179.10 1xpn h TYR 79 N 0.25 1.15 0.00 0.00 3.20 -1.72 0.52 116.97 120.37 1xpn h TYR 79 Ca 0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1xpn h TYR 79 Cb 0.76 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1xpn h TYR 79 CO 0.08 0.72 -0.28 -0.92 -1.64 0.00 0.00 178.16 176.11 1xpn h TYR 80 N 1.23 0.00 0.00 -3.82 3.20 -0.92 -3.10 116.97 113.57 1xpn h TYR 80 Ca 0.34 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.99 1xpn h TYR 80 Cb -0.12 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1xpn h TYR 80 CO -0.00 0.28 -1.11 0.00 -1.64 0.00 0.00 178.16 175.68 1xpn h ALA 81 N 1.72 0.47 0.36 1.82 0.00 -0.49 -3.33 119.26 119.81 1xpn h ALA 81 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 1xpn h ALA 81 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xpn h ALA 81 CO 0.04 1.26 -0.17 0.87 0.00 0.00 0.00 179.25 181.25 1xpn h LYS 82 N 0.00 -0.47 0.00 0.00 1.79 -0.90 -3.46 116.57 113.53 1xpn h LYS 82 Ca -0.07 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1xpn h LYS 82 Cb 1.79 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 1xpn h LYS 82 CO 0.11 -0.15 0.00 1.19 -1.08 0.00 0.00 179.45 179.53 1xpn n PHE 83 N -5.13 0.00 0.00 -1.35 3.01 -1.19 -5.08 117.46 107.72 1xpn n PHE 83 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1xpn n PHE 83 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 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 4.03 3.38 3.54 1.37 0.00 -1.25 -4.29 105.19 111.97 1xpn n GLY 84 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1xpn n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpn s ASN 85 N -4.00 6.29 -0.03 1.61 3.84 -1.25 -4.67 114.94 116.73 1xpn s ASN 85 Ca 0.00 -0.32 -0.00 0.00 0.21 0.00 0.00 52.86 52.74 1xpn s ASN 85 Cb 0.00 -2.51 0.03 0.00 -0.55 0.00 0.00 41.25 38.22 1xpn s ASN 85 CO 0.00 -1.54 0.02 -0.22 -2.79 0.00 0.00 177.10 172.57 1xpn s LEU 86 N 4.88 0.91 0.54 3.21 0.20 -0.04 -4.94 118.68 123.44 1xpn s LEU 86 Ca 0.35 -0.00 -0.21 0.00 0.69 0.00 0.00 54.13 54.95 1xpn s LEU 86 Cb -0.10 -0.20 -0.06 0.00 -0.43 0.00 0.00 46.19 45.41 1xpn s LEU 86 CO 0.19 -0.14 1.22 -0.67 -0.29 0.00 0.00 176.35 176.65 1xpn n ASP 87 N 4.45 2.04 0.27 3.68 -0.08 -1.26 -0.37 116.55 125.29 1xpn n ASP 87 Ca -0.21 0.95 0.13 0.00 -1.51 0.00 0.00 54.79 54.15 1xpn n ASP 87 Cb 0.50 -1.50 0.74 0.00 2.34 0.00 0.00 41.12 43.20 1xpn n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpn h ALA 88 N 1.22 1.24 0.00 -1.67 0.00 -1.15 -0.22 119.26 118.69 1xpn h ALA 88 Ca -0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xpn h ALA 88 Cb 1.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xpn h ALA 88 CO 0.56 0.14 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 1xpn h ALA 89 N 1.89 0.98 -0.58 0.00 0.00 -1.81 -2.63 119.26 117.12 1xpn h ALA 89 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xpn h ALA 89 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xpn h ALA 89 CO 0.01 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1xpn n LYS 90 N -3.27 2.63 -2.27 0.00 5.02 -0.14 -4.91 118.16 115.23 1xpn n LYS 90 Ca 0.01 -2.50 -0.42 0.00 -2.02 0.00 0.00 58.31 53.38 1xpn n LYS 90 Cb 0.44 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 1xpn n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xpn s ARG 91 N -1.21 3.35 -0.41 1.97 1.81 -0.93 -4.91 118.95 118.62 1xpn s ARG 91 Ca 0.44 0.83 -0.16 0.00 -1.72 0.00 0.00 55.73 55.13 1xpn s ARG 91 Cb 0.24 -4.12 0.02 0.00 -0.45 0.00 0.00 34.95 30.64 1xpn s ARG 91 CO 0.33 -1.85 0.35 0.34 -0.68 0.00 0.00 175.30 173.78 1xpn s ASP 92 N 4.88 6.14 0.00 0.23 -1.08 -1.26 -4.94 116.67 120.65 1xpn s ASP 92 Ca 0.62 -0.81 0.13 0.00 -0.52 0.00 0.00 52.55 51.97 1xpn s ASP 92 Cb -0.14 -2.18 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 1xpn s ASP 92 CO 0.29 -0.50 1.33 -0.81 0.52 0.00 0.00 175.17 176.00 1xpn n PRO 93 N 5.33 1.70 -0.05 4.34 -0.04 -1.26 -3.93 135.00 141.09 1xpn n PRO 93 Ca -0.10 -1.08 -0.22 0.00 -0.04 0.00 0.00 63.50 62.07 1xpn n PRO 93 Cb 0.47 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.35 2.02 -4.65 3.54 2.03 -1.26 -4.80 116.55 113.78 1xpn n ASP 94 Ca 0.12 0.25 -0.43 0.00 0.52 0.00 0.00 54.79 55.26 1xpn n ASP 94 Cb 0.27 -0.85 -0.02 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.49 3.88 -0.15 5.18 1.01 -1.25 -4.99 120.40 121.59 1xpn s VAL 95 Ca -0.27 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 1xpn s VAL 95 Cb 0.07 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1xpn s VAL 95 CO 0.68 -0.18 0.58 -1.10 0.00 0.00 0.00 175.10 175.08 1xpn s GLN 96 N 4.05 4.29 0.16 2.72 -0.21 -1.26 -5.00 119.66 124.42 1xpn s GLN 96 Ca 0.66 0.59 -0.32 0.00 0.02 0.00 0.00 55.36 56.30 1xpn s GLN 96 Cb -0.26 -3.51 -0.12 0.00 1.00 0.00 0.00 33.01 30.12 1xpn s GLN 96 CO 0.24 -0.05 1.73 -2.30 -2.12 0.00 0.00 175.29 172.79 1xpn n PRO 97 N 4.36 2.61 -1.71 2.91 -0.02 -1.26 -4.92 135.00 136.97 1xpn n PRO 97 Ca -0.03 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1xpn n PRO 97 Cb 0.51 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.19 1xpn n PRO 97 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xpn n PRO 98 N 4.38 2.25 -2.43 0.52 -0.02 -1.26 -4.90 135.00 133.54 1xpn n PRO 98 Ca 0.17 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 1xpn n PRO 98 Cb 0.34 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.88 4.06 0.83 -1.45 1.01 -1.26 -5.01 120.40 117.70 1xpn s VAL 99 Ca 0.57 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.60 1xpn s VAL 99 Cb -0.56 -4.26 0.15 0.00 0.00 0.00 0.00 36.38 31.71 1xpn s VAL 99 CO 0.60 -0.69 1.15 -0.76 0.00 0.00 0.00 175.10 175.40 1xpn s LEU 100 N 4.83 2.82 0.06 3.92 1.43 -1.26 -4.98 118.68 125.50 1xpn s LEU 100 Ca 0.57 0.07 -0.33 0.00 -1.03 0.00 0.00 54.13 53.41 1xpn s LEU 100 Cb -0.13 -2.32 -0.12 0.00 0.03 0.00 0.00 46.19 43.65 1xpn s LEU 100 CO 0.28 -2.22 1.80 -0.67 0.23 0.00 0.00 176.35 175.77 1xpn n ASP 101 N -3.28 3.63 0.24 2.29 -0.08 -1.26 -4.84 116.55 113.25 1xpn n ASP 101 Ca 0.14 1.00 0.14 0.00 -1.51 0.00 0.00 54.79 54.56 1xpn n ASP 101 Cb 0.60 -1.46 0.77 0.00 2.34 0.00 0.00 41.12 43.37 1xpn n ASP 101 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xpn h PRO 102 N 8.28 0.00 0.00 -0.67 0.11 -2.04 -2.23 132.00 135.45 1xpn h PRO 102 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xpn h PRO 102 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xpn h PRO 102 CO 0.93 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.72 1xpn h ARG 103 N 0.00 0.00 0.00 1.05 3.08 -2.00 -1.58 114.38 114.93 1xpn h ARG 103 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xpn h ARG 103 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1xpn h ARG 103 CO 0.00 0.00 -0.11 0.07 -1.07 0.00 0.00 179.97 178.87 1xpn h ARG 104 N 0.00 0.00 0.00 0.04 0.11 -1.78 -0.81 114.38 111.95 1xpn h ARG 104 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xpn h ARG 104 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1xpn h ARG 104 CO 0.00 0.11 0.00 0.00 0.10 0.00 0.00 179.97 180.18 1xpn h ALA 105 N 1.89 1.00 0.02 0.08 0.00 -1.53 0.36 119.26 121.08 1xpn h ALA 105 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 1xpn h ALA 105 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1xpn h ALA 105 CO 0.01 0.00 -2.26 2.41 0.00 0.00 0.00 179.25 179.41 1xpn n THR 106 N -2.50 1.51 0.09 0.00 -1.04 -0.35 -4.47 114.28 107.52 1xpn n THR 106 Ca 0.00 -0.72 -0.15 0.00 -2.04 0.00 0.00 64.05 61.14 1xpn n THR 106 Cb 0.18 -1.05 -0.09 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.01 0.57 -2.80 -1.42 0.05 -0.94 -3.43 116.97 109.01 1xpn h TYR 107 Ca -0.50 -0.36 -0.56 0.00 0.05 0.00 0.00 58.73 57.36 1xpn h TYR 107 Cb 2.07 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 39.73 1xpn h TYR 107 CO 0.02 1.22 1.03 0.08 -1.05 0.00 0.00 178.16 179.46 1xpn s VAL 108 N -2.98 3.89 -0.09 -2.88 1.01 0.12 -4.85 120.40 114.61 1xpn s VAL 108 Ca -0.05 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1xpn s VAL 108 Cb 0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1xpn s VAL 108 CO 0.88 -0.19 0.15 -0.13 0.00 0.00 0.00 175.10 175.80 1xpn s ARG 109 N 4.07 3.44 0.03 2.72 0.52 -0.71 -4.88 118.95 124.14 1xpn s ARG 109 Ca 0.65 -0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1xpn s ARG 109 Cb -0.26 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1xpn s ARG 109 CO 0.24 0.75 0.15 -1.21 0.02 0.00 0.00 175.30 175.26 1xpn s GLU 110 N -1.25 3.26 -0.26 3.54 2.02 -1.26 -0.66 118.70 124.09 1xpn s GLU 110 Ca 0.18 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 1xpn s GLU 110 Cb -0.12 -2.97 0.09 0.00 0.10 0.00 0.00 34.13 31.23 1xpn s GLU 110 CO 0.08 0.63 0.11 0.00 0.02 0.00 0.00 175.26 176.10 1xpn s ALA 111 N -1.36 0.74 -0.48 5.21 0.00 0.12 -4.95 121.76 121.05 1xpn s ALA 111 Ca 0.29 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 1xpn s ALA 111 Cb -0.13 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1xpn s ALA 111 CO 0.21 -1.53 1.05 0.99 0.00 0.00 0.00 175.76 176.48 1xpn s THR 112 N 2.02 4.31 0.35 0.00 2.01 -1.26 -0.76 115.64 122.31 1xpn s THR 112 Ca 0.07 0.99 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 1xpn s THR 112 Cb -0.16 -4.54 -0.12 0.00 0.01 0.00 0.00 72.50 67.69 1xpn s THR 112 CO -0.28 -0.96 1.25 0.35 -0.69 0.00 0.00 174.62 174.29 1xpn n THR 113 N 6.66 2.09 -0.96 -0.82 -2.24 0.06 -4.75 114.28 114.33 1xpn n THR 113 Ca 0.09 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.32 1xpn n THR 113 Cb 0.49 -1.50 0.03 0.00 -2.10 0.00 0.00 70.33 67.26 1xpn n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xpn n ASP 114 N 0.72 -0.38 0.00 3.42 8.00 -0.89 -2.33 116.55 125.10 1xpn n ASP 114 Ca 0.06 -0.92 0.11 0.00 0.71 0.00 0.00 54.79 54.75 1xpn n ASP 114 Cb 0.36 -0.16 0.60 0.00 -0.02 0.00 0.00 41.12 41.90 1xpn n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpn n GLN 115 N -1.64 0.47 -0.24 -1.24 3.00 -1.26 -1.37 117.38 115.11 1xpn n GLN 115 Ca 0.03 0.05 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1xpn n GLN 115 Cb 0.09 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.06 1xpn n GLN 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1xpn n ASN 116 N -1.17 3.43 -3.29 1.08 4.13 -1.26 -4.95 115.26 113.23 1xpn n ASN 116 Ca 0.13 -1.96 -0.17 0.00 1.68 0.00 0.00 54.58 54.26 1xpn n ASN 116 Cb 0.13 -0.31 0.08 0.00 -1.54 0.00 0.00 39.78 38.15 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 117 N 1.30 -0.33 2.98 7.41 0.00 -0.47 -4.91 105.19 111.17 1xpn n GLY 117 Ca 0.19 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.45 0.38 0.05 1.61 3.00 -1.26 -1.37 118.95 115.91 1xpn s ARG 118 Ca 0.11 -0.38 -0.04 0.00 -1.00 0.00 0.00 55.73 54.41 1xpn s ARG 118 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 34.95 34.62 1xpn s ARG 118 CO 0.68 0.06 0.06 -0.59 0.00 0.00 0.00 175.30 175.52 1xpn s PHE 119 N -0.63 0.29 -0.07 5.12 -0.71 -0.47 -2.09 117.98 119.41 1xpn s PHE 119 Ca -0.04 -0.67 -0.07 0.00 -1.04 0.00 0.00 56.93 55.10 1xpn s PHE 119 Cb -0.05 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1xpn s PHE 119 CO -0.00 -0.38 0.21 0.16 -1.34 0.00 0.00 175.22 173.87 1xpn s ASP 120 N -2.40 -0.20 0.24 1.98 -4.77 -1.26 0.03 116.67 110.28 1xpn s ASP 120 Ca -0.01 0.37 0.09 0.00 -3.30 0.00 0.00 52.55 49.70 1xpn s ASP 120 Cb 0.02 0.41 -0.04 0.00 -1.09 0.00 0.00 42.92 42.21 1xpn s ASP 120 CO -0.07 -0.10 -0.03 -0.36 0.70 0.00 0.00 175.17 175.31 1xpn s PHE 121 N -0.03 2.69 0.28 2.11 0.08 0.14 -4.95 117.98 118.30 1xpn s PHE 121 Ca -0.01 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.65 1xpn s PHE 121 Cb -0.02 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 1xpn s PHE 121 CO 0.00 0.59 0.64 0.16 -0.10 0.00 0.00 175.22 176.51 1xpn s ASP 122 N -3.42 -0.12 -1.11 1.36 -4.77 -1.26 -1.78 116.67 105.57 1xpn s ASP 122 Ca 0.30 -0.82 -0.04 0.00 -3.30 0.00 0.00 52.55 48.69 1xpn s ASP 122 Cb -0.07 0.69 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 1xpn s ASP 122 CO 0.19 -1.32 0.95 1.41 0.70 0.00 0.00 175.17 177.10 1xpn n HIS 123 N -0.45 -2.20 -4.64 2.11 8.25 -1.22 -4.95 115.22 112.13 1xpn n HIS 123 Ca -0.03 0.85 -0.23 0.00 -0.26 0.00 0.00 57.72 58.05 1xpn n HIS 123 Cb 0.60 -4.63 -0.15 0.00 1.12 0.00 0.00 29.99 26.93 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 -3.30 1.11 0.80 1.59 1.01 -0.82 -4.33 121.20 117.26 1xpn s ILE 124 Ca 0.23 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1xpn s ILE 124 Cb -0.10 -0.94 0.20 0.00 0.01 0.00 0.00 42.46 41.62 1xpn s ILE 124 CO 0.64 0.32 0.80 -2.65 0.00 0.00 0.00 174.94 174.05 1xpn n PRO 125 N 2.92 -2.05 -3.85 2.79 -0.02 -1.26 -1.37 135.00 132.16 1xpn n PRO 125 Ca -0.16 -1.26 -0.26 0.00 -2.02 0.00 0.00 63.50 59.81 1xpn n PRO 125 Cb 0.54 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.92 1xpn n PRO 125 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xpn s ASN 126 N -3.76 6.35 0.00 2.55 4.22 -1.26 -4.78 114.94 118.26 1xpn s ASN 126 Ca 0.50 0.24 0.00 0.00 -2.14 0.00 0.00 52.86 51.45 1xpn s ASN 126 Cb -0.04 -1.94 0.00 0.00 1.28 0.00 0.00 41.25 40.55 1xpn s ASN 126 CO 0.37 -0.01 0.00 0.61 -2.04 0.00 0.00 177.10 176.03 1xpn n GLY 127 N -0.77 0.89 3.54 0.45 0.00 -0.89 -4.96 105.19 103.45 1xpn n GLY 127 Ca -0.06 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 128 N -3.14 4.59 0.15 2.61 2.01 -1.26 -0.29 115.64 120.31 1xpn s THR 128 Ca 0.00 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1xpn s THR 128 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1xpn s THR 128 CO 0.00 0.39 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.95 1xpn s TYR 129 N 1.05 1.21 -0.08 4.92 2.02 0.29 -2.51 117.35 124.24 1xpn s TYR 129 Ca 0.04 -0.87 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 1xpn s TYR 129 Cb -0.14 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1xpn s TYR 129 CO 0.03 -0.05 -0.19 0.71 -1.57 0.00 0.00 175.55 174.48 1xpn s TYR 130 N -3.48 2.63 -0.36 2.71 2.02 0.79 -0.73 117.35 120.94 1xpn s TYR 130 Ca 0.19 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 1xpn s TYR 130 Cb 0.04 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1xpn s TYR 130 CO 0.01 -0.15 0.25 0.42 -1.57 0.00 0.00 175.55 174.52 1xpn s ILE 131 N -0.07 5.22 -0.28 2.71 1.01 0.12 -0.65 121.20 129.27 1xpn s ILE 131 Ca -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1xpn s ILE 131 Cb -0.14 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1xpn s ILE 131 CO 0.04 -0.10 0.03 -0.44 0.00 0.00 0.00 174.94 174.47 1xpn s SER 132 N 1.70 4.83 -0.06 3.58 0.01 0.78 -0.25 113.70 124.29 1xpn s SER 132 Ca 0.06 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.51 1xpn s SER 132 Cb -0.18 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.28 1xpn s SER 132 CO 0.10 -0.18 -0.08 -0.44 0.41 0.00 0.00 173.24 173.05 1xpn s SER 133 N 1.42 1.41 -0.60 2.44 0.01 -0.23 -2.05 113.70 116.10 1xpn s SER 133 Ca 0.01 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1xpn s SER 133 Cb -0.17 -0.65 0.10 0.00 0.21 0.00 0.00 66.02 65.50 1xpn s SER 133 CO -0.00 -0.02 0.74 -1.61 0.41 0.00 0.00 173.24 172.76 1xpn s GLU 134 N 0.84 3.06 -0.56 12.44 2.02 -1.26 -0.59 118.70 134.65 1xpn s GLU 134 Ca -0.12 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 53.66 1xpn s GLU 134 Cb -0.15 -4.25 0.14 0.00 0.10 0.00 0.00 34.13 29.97 1xpn s GLU 134 CO 0.01 -1.57 0.33 -1.17 0.02 0.00 0.00 175.26 172.89 1xpn s LEU 135 N 2.91 4.75 -0.05 1.80 2.96 -0.18 -4.88 118.68 125.99 1xpn s LEU 135 Ca 0.13 -2.91 0.04 0.00 -0.22 0.00 0.00 54.13 51.18 1xpn s LEU 135 Cb -0.23 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1xpn s LEU 135 CO 0.07 -0.30 -0.17 0.42 -1.32 0.00 0.00 176.35 175.05 1xpn s THR 136 N -0.14 2.83 0.02 3.68 -4.23 -1.26 -1.19 115.64 115.34 1xpn s THR 136 Ca 0.17 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1xpn s THR 136 Cb -0.23 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1xpn s THR 136 CO -0.02 0.58 0.02 -1.66 -0.54 0.00 0.00 174.62 173.01 1xpn s TRP 137 N -0.58 0.20 -0.24 3.99 -2.14 -0.54 -4.97 118.94 114.66 1xpn s TRP 137 Ca 0.08 -0.43 -0.06 0.00 2.66 0.00 0.00 56.10 58.35 1xpn s TRP 137 Cb -0.11 -0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.08 1xpn s TRP 137 CO 0.01 -0.23 0.04 -1.12 -2.66 0.00 0.00 176.95 172.99 1xpn s SER 138 N -1.51 4.91 -0.19 -2.66 0.01 -1.26 -0.42 113.70 112.57 1xpn s SER 138 Ca -0.15 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 1xpn s SER 138 Cb -0.08 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 1xpn s SER 138 CO -0.01 -0.03 -0.08 0.00 0.41 0.00 0.00 173.24 173.54 1xpn s ALA 139 N 1.57 2.74 -0.73 1.44 0.00 0.98 -4.90 121.76 122.86 1xpn s ALA 139 Ca 0.06 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 1xpn s ALA 139 Cb -0.15 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.48 1xpn s ALA 139 CO 0.02 -0.21 1.22 -0.65 0.00 0.00 0.00 175.76 176.13 1xpn s GLN 140 N 1.11 3.18 -0.56 0.00 -0.21 -1.26 -0.22 119.66 121.70 1xpn s GLN 140 Ca 0.01 -0.39 -0.21 0.00 0.02 0.00 0.00 55.36 54.79 1xpn s GLN 140 Cb -0.15 -4.22 0.06 0.00 1.00 0.00 0.00 33.01 29.71 1xpn s GLN 140 CO -0.02 -2.08 0.78 0.45 -2.12 0.00 0.00 175.29 172.31 1xpn s SER 141 N 3.75 6.24 0.00 5.90 0.15 0.57 -4.76 113.70 125.55 1xpn s SER 141 Ca 0.33 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1xpn s SER 141 Cb -0.10 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1xpn s SER 141 CO 0.13 -1.12 0.00 0.47 1.20 0.00 0.00 173.24 173.92 1xpn n ASP 142 N 6.83 0.00 0.00 5.45 8.00 -1.26 -1.10 116.55 134.47 1xpn n ASP 142 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1xpn n ASP 142 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.00 -1.07 3.03 0.44 0.00 -1.26 -5.06 105.19 101.27 1xpn n GLY 143 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xpn n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xpn s LYS 144 N 0.00 2.39 -0.03 1.61 2.47 -0.26 -5.11 119.74 120.81 1xpn s LYS 144 Ca 0.00 -0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 53.52 1xpn s LYS 144 Cb 0.00 -2.15 -0.03 0.00 -1.46 0.00 0.00 37.83 34.19 1xpn s LYS 144 CO 0.00 -0.22 1.02 0.99 0.16 0.00 0.00 175.35 177.30 1xpn s THR 145 N 1.43 4.74 0.00 3.43 2.01 -1.26 -0.31 115.64 125.68 1xpn s THR 145 Ca 0.04 1.98 0.08 0.00 0.31 0.00 0.00 61.69 64.10 1xpn s THR 145 Cb -0.13 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1xpn s THR 145 CO -0.10 0.10 -0.25 0.27 -0.69 0.00 0.00 174.62 173.95 1xpn s ILE 146 N 1.36 2.19 -0.53 1.82 -4.36 0.70 -4.92 121.20 117.45 1xpn s ILE 146 Ca 0.52 -1.17 -0.19 0.00 -0.26 0.00 0.00 60.65 59.55 1xpn s ILE 146 Cb -0.21 -1.80 0.07 0.00 1.25 0.00 0.00 42.46 41.77 1xpn s ILE 146 CO 0.25 0.50 0.64 -0.89 0.24 0.00 0.00 174.94 175.69 1xpn s THR 147 N -0.69 4.86 0.34 8.37 2.01 -1.26 -0.02 115.64 129.25 1xpn s THR 147 Ca 0.11 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1xpn s THR 147 Cb -0.10 -4.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1xpn s THR 147 CO 0.00 -0.88 0.44 -1.61 -0.69 0.00 0.00 174.62 171.88 1xpn s GLU 148 N 2.64 3.02 1.20 4.92 2.02 0.43 -4.44 118.70 128.49 1xpn s GLU 148 Ca 0.14 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.04 1xpn s GLU 148 Cb -0.20 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1xpn s GLU 148 CO 0.11 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1xpn n GLY 149 N -1.59 -0.56 0.00 -1.39 0.00 -1.26 -1.47 105.19 98.92 1xpn n GLY 149 Ca -0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.06 3.42 -0.02 0.00 -0.34 -0.59 105.19 107.72 1xpn n GLY 150 Ca 0.00 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.46 5.04 -0.25 2.61 2.01 0.51 -1.01 115.64 121.08 1xpn s THR 151 Ca 0.00 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1xpn s THR 151 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xpn s THR 151 CO 0.00 -0.70 0.39 0.54 -0.69 0.00 0.00 174.62 174.16 1xpn s VAL 152 N 2.17 5.17 -0.23 3.82 0.11 0.24 -0.86 120.40 130.82 1xpn s VAL 152 Ca 0.10 0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 59.73 1xpn s VAL 152 Cb -0.22 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 1xpn s VAL 152 CO 0.09 0.17 0.00 -0.89 -3.33 0.00 0.00 175.10 171.14 1xpn s THR 153 N 1.94 3.73 -0.15 5.04 2.01 -1.25 -1.06 115.64 125.89 1xpn s THR 153 Ca 0.16 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 1xpn s THR 153 Cb -0.16 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1xpn s THR 153 CO 0.09 0.38 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.59 1xpn s LYS 154 N 1.53 3.58 -0.32 4.92 2.47 0.65 -4.85 119.74 127.72 1xpn s LYS 154 Ca 0.06 -0.57 -0.29 0.00 -1.56 0.00 0.00 55.97 53.61 1xpn s LYS 154 Cb -0.15 -2.82 0.02 0.00 -1.46 0.00 0.00 37.83 33.42 1xpn s LYS 154 CO -0.01 0.24 1.06 -1.17 0.16 0.00 0.00 175.35 175.63 1xpn s LEU 155 N 0.35 3.94 -0.16 5.43 2.96 -1.26 -0.70 118.68 129.24 1xpn s LEU 155 Ca -0.06 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1xpn s LEU 155 Cb -0.15 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1xpn s LEU 155 CO 0.04 -0.87 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.35 1xpn s VAL 156 N 3.61 2.57 -0.24 1.68 1.01 0.10 -4.99 120.40 124.14 1xpn s VAL 156 Ca 0.45 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1xpn s VAL 156 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1xpn s VAL 156 CO 0.15 0.52 0.07 0.28 0.00 0.00 0.00 175.10 176.12 1xpn s THR 157 N 0.90 4.41 -0.51 3.92 -1.32 -1.26 -0.55 115.64 121.23 1xpn s THR 157 Ca -0.04 -0.14 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 1xpn s THR 157 Cb -0.15 -3.05 0.07 0.00 -1.51 0.00 0.00 72.50 67.85 1xpn s THR 157 CO -0.02 0.36 0.59 -0.69 -2.21 0.00 0.00 174.62 172.65 1xpn s VAL 158 N 1.40 4.93 0.27 5.08 1.01 0.60 -4.91 120.40 128.78 1xpn s VAL 158 Ca 0.05 -0.64 0.16 0.00 0.00 0.00 0.00 61.98 61.55 1xpn s VAL 158 Cb -0.15 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 32.05 1xpn s VAL 158 CO 0.04 -0.80 1.77 -1.28 0.00 0.00 0.00 175.10 174.83 1xpn h SER 159 N 8.97 0.00 0.00 3.32 0.87 -1.92 -2.36 113.55 122.44 1xpn h SER 159 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1xpn h SER 159 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1xpn h SER 159 CO 0.96 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 1xpn n GLY 160 N -0.04 -0.53 0.20 5.77 0.00 -1.26 -4.95 105.19 104.38 1xpn n GLY 160 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1xpn n GLY 160 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xpn h SER 161 N 0.00 0.00 -4.04 1.61 4.64 -1.91 -3.39 113.55 110.45 1xpn h SER 161 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1xpn h SER 161 Cb 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.22 1xpn h SER 161 CO 0.00 0.28 0.61 -1.10 -0.87 0.00 0.00 176.83 175.75 1xpn s GLN 162 N -3.47 3.20 -0.23 4.77 -0.21 -1.26 -2.59 119.66 119.86 1xpn s GLN 162 Ca 0.02 2.23 -0.37 0.00 0.02 0.00 0.00 55.36 57.26 1xpn s GLN 162 Cb 0.09 -2.29 -0.13 0.00 1.00 0.00 0.00 33.01 31.68 1xpn s GLN 162 CO 0.66 -1.14 1.92 -2.30 -2.12 0.00 0.00 175.29 172.31 1xpn n PRO 163 N -0.95 1.50 -3.58 2.91 -0.02 -1.26 -4.39 135.00 129.20 1xpn n PRO 163 Ca 0.10 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1xpn n PRO 163 Cb 0.45 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1xpn n PRO 163 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xpn s GLN 164 N 4.50 2.90 -0.32 -0.52 -1.52 0.74 -5.00 119.66 120.44 1xpn s GLN 164 Ca 1.00 -1.03 -0.16 0.00 -1.95 0.00 0.00 55.36 53.22 1xpn s GLN 164 Cb -0.88 -3.76 -0.02 0.00 -0.22 0.00 0.00 33.01 28.14 1xpn s GLN 164 CO 0.56 -0.68 0.39 0.21 -0.25 0.00 0.00 175.29 175.52 1xpn s LYS 165 N 1.58 3.73 -0.20 2.91 2.20 -1.25 -0.74 119.74 127.97 1xpn s LYS 165 Ca 0.03 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1xpn s LYS 165 Cb -0.19 -3.75 0.04 0.00 -1.51 0.00 0.00 37.83 32.41 1xpn s LYS 165 CO 0.07 -0.46 -0.14 0.08 -0.36 0.00 0.00 175.35 174.54 1xpn s VAL 166 N 2.10 1.89 -0.40 4.02 1.01 -0.14 -4.99 120.40 123.89 1xpn s VAL 166 Ca 0.14 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1xpn s VAL 166 Cb -0.16 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1xpn s VAL 166 CO 0.11 0.28 1.15 -0.76 0.00 0.00 0.00 175.10 175.88 1xpn s LEU 167 N 1.31 3.76 -0.91 3.92 1.02 -1.26 -2.00 118.68 124.52 1xpn s LEU 167 Ca -0.00 0.77 -0.24 0.00 0.02 0.00 0.00 54.13 54.68 1xpn s LEU 167 Cb -0.16 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.56 1xpn s LEU 167 CO -0.09 -1.11 1.34 -0.22 0.02 0.00 0.00 176.35 176.28 1xpn s LEU 168 N 4.22 3.60 0.39 1.79 2.96 0.10 -4.87 118.68 126.87 1xpn s LEU 168 Ca 0.49 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.06 1xpn s LEU 168 Cb -0.10 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.10 1xpn s LEU 168 CO 0.25 -1.56 0.77 0.28 -1.32 0.00 0.00 176.35 174.77 1xpn s THR 169 N 4.93 0.00 -2.34 3.68 -1.32 -1.26 -2.29 115.64 117.04 1xpn s THR 169 Ca 0.40 -1.04 0.29 0.00 -1.21 0.00 0.00 61.69 60.13 1xpn s THR 169 Cb -0.04 -2.88 0.67 0.00 -1.51 0.00 0.00 72.50 68.73 1xpn s THR 169 CO -0.02 0.00 1.90 -1.14 -2.21 0.00 0.00 174.62 173.16