#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 -0.55 -5.51 1.61 0.02 -2.12 -3.49 113.55 103.51 1xpn h SER 2 Ca 0.00 0.02 0.35 0.00 -0.84 0.00 0.00 61.79 61.32 1xpn h SER 2 Cb 0.00 0.14 -0.14 0.00 0.14 0.00 0.00 62.40 62.54 1xpn h SER 2 CO 0.00 -0.34 0.91 -0.55 -1.14 0.00 0.00 176.83 175.72 1xpn s SER 3 N -3.43 -0.04 0.00 3.07 0.15 -1.26 -5.00 113.70 107.20 1xpn s SER 3 Ca -0.09 -0.05 0.15 0.00 0.70 0.00 0.00 55.95 56.66 1xpn s SER 3 Cb 0.01 0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 1xpn s SER 3 CO 0.28 -0.14 0.90 1.57 1.20 0.00 0.00 173.24 177.05 1xpn n HIS 4 N -0.40 0.00 -3.62 3.44 -0.00 -1.26 -4.93 115.22 108.44 1xpn n HIS 4 Ca -0.07 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.75 1xpn n HIS 4 Cb 0.62 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.40 1xpn n HIS 4 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1xpn s HIS 5 N -1.57 3.33 0.00 1.57 5.65 -1.26 -4.93 115.29 118.08 1xpn s HIS 5 Ca 0.15 0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.75 1xpn s HIS 5 Cb 0.13 -2.30 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 1xpn s HIS 5 CO 0.29 0.07 0.00 1.58 -0.65 0.00 0.00 174.74 176.03 1xpn n HIS 6 N 4.26 -0.00 -3.03 3.88 -0.00 -1.26 -5.12 115.22 113.96 1xpn n HIS 6 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.62 1xpn n HIS 6 Cb 0.52 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 1xpn n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1xpn s HIS 7 N -0.02 -0.64 -0.26 1.57 5.04 -1.26 -5.14 115.29 114.58 1xpn s HIS 7 Ca 0.00 0.26 -0.27 0.00 -1.54 0.00 0.00 55.06 53.52 1xpn s HIS 7 Cb 0.00 0.11 0.00 0.00 0.04 0.00 0.00 32.58 32.74 1xpn s HIS 7 CO 0.00 -0.40 0.94 -3.38 -2.34 0.00 0.00 174.74 169.56 1xpn s HIS 8 N 2.53 3.28 -0.00 3.88 0.00 -1.26 -4.83 115.29 118.89 1xpn s HIS 8 Ca 0.21 1.21 0.00 0.00 -3.00 0.00 0.00 55.06 53.48 1xpn s HIS 8 Cb -0.01 -3.26 -0.00 0.00 -4.00 0.00 0.00 32.58 25.31 1xpn s HIS 8 CO -0.19 -0.52 0.00 1.58 -1.00 0.00 0.00 174.74 174.61 1xpn n HIS 9 N 6.29 0.00 -1.59 0.38 -0.00 -1.26 -5.02 115.22 114.02 1xpn n HIS 9 Ca 0.09 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.34 1xpn n HIS 9 Cb 0.47 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.41 1xpn n HIS 9 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1xpn n SER 10 N -1.44 3.13 -3.60 0.26 7.64 -1.26 -4.92 113.62 113.44 1xpn n SER 10 Ca -0.00 0.55 -0.29 0.00 1.01 0.00 0.00 58.87 60.14 1xpn n SER 10 Cb 0.00 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 61.66 1xpn n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1xpn s SER 11 N 6.44 3.23 0.00 6.43 0.01 -1.26 -5.06 113.70 123.48 1xpn s SER 11 Ca 0.99 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 55.71 1xpn s SER 11 Cb -0.58 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1xpn s SER 11 CO 0.44 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1xpn n GLY 12 N 3.61 -0.83 0.08 3.44 0.00 -1.26 -4.67 105.19 105.55 1xpn n GLY 12 Ca 0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.04 -7.81 0.99 6.46 -2.03 -3.41 115.31 109.47 1xpn h LEU 13 Ca 0.00 -0.67 -0.70 0.00 -0.12 0.00 0.00 57.88 56.39 1xpn h LEU 13 Cb 0.00 0.01 -0.34 0.00 -0.73 0.00 0.00 40.66 39.60 1xpn h LEU 13 CO 0.00 0.74 -0.52 -0.69 -0.62 0.00 0.00 178.44 177.35 1xpn s VAL 14 N -2.63 3.37 -0.46 1.05 1.01 -1.26 -4.96 120.40 116.53 1xpn s VAL 14 Ca -0.15 -2.12 0.23 0.00 0.00 0.00 0.00 61.98 59.95 1xpn s VAL 14 Cb -0.01 -3.30 0.27 0.00 0.00 0.00 0.00 36.38 33.34 1xpn s VAL 14 CO 0.55 -0.71 1.54 1.55 0.00 0.00 0.00 175.10 178.03 1xpn h PRO 15 N 7.99 0.00 -4.99 2.72 0.13 -1.83 -3.47 132.00 132.55 1xpn h PRO 15 Ca -0.13 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.68 1xpn h PRO 15 Cb 1.04 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.99 1xpn h PRO 15 CO 0.71 0.00 -0.74 -0.98 -0.23 0.00 0.00 178.00 176.76 1xpn s ARG 16 N -3.22 0.85 0.00 0.86 1.70 -1.26 -4.86 118.95 113.02 1xpn s ARG 16 Ca 0.06 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1xpn s ARG 16 Cb 0.07 -0.56 0.00 0.00 -0.57 0.00 0.00 34.95 33.89 1xpn s ARG 16 CO 0.68 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 175.40 1xpn n GLY 17 N 0.60 2.07 5.02 3.88 0.00 -1.26 -5.06 105.19 110.44 1xpn n GLY 17 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xpn n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpn n SER 18 N 0.00 0.00 0.00 1.61 7.64 -1.26 -2.55 113.62 119.05 1xpn n SER 18 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xpn n SER 18 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xpn n SER 18 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1xpn n HIS 19 N 0.00 0.00 -3.62 1.43 -0.00 -1.26 -5.07 115.22 106.70 1xpn n HIS 19 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1xpn n HIS 19 Cb 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 1xpn n HIS 19 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xpn s MET 20 N -1.17 0.24 0.00 1.57 -2.45 -1.06 -5.15 119.30 111.28 1xpn s MET 20 Ca 0.00 0.84 0.00 0.00 -1.25 0.00 0.00 55.69 55.28 1xpn s MET 20 Cb 0.00 0.04 0.00 0.00 1.25 0.00 0.00 34.83 36.12 1xpn s MET 20 CO 0.00 -0.32 0.00 0.00 1.05 0.00 0.00 175.02 175.75 1xpn n ALA 21 N 5.37 0.00 -0.87 4.11 0.00 -1.25 -5.02 120.51 122.85 1xpn n ALA 21 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xpn n ALA 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xpn n SER 22 N 0.00 -3.15 -4.86 0.00 3.41 -1.26 -4.78 113.62 102.97 1xpn n SER 22 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1xpn n SER 22 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1xpn n SER 22 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xpn s ASN 23 N -4.00 6.65 0.43 4.04 3.84 -1.26 -4.99 114.94 119.64 1xpn s ASN 23 Ca 0.00 0.78 0.16 0.00 0.21 0.00 0.00 52.86 54.01 1xpn s ASN 23 Cb 0.00 -2.18 1.06 0.00 -0.55 0.00 0.00 41.25 39.59 1xpn s ASN 23 CO 0.00 0.24 1.92 -0.65 -2.79 0.00 0.00 177.10 175.82 1xpn h PRO 24 N 4.08 0.39 -5.88 0.43 0.11 -2.04 -3.43 132.00 125.67 1xpn h PRO 24 Ca -0.50 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.08 1xpn h PRO 24 Cb 1.20 -0.09 -0.20 0.00 0.11 0.00 0.00 31.00 32.03 1xpn h PRO 24 CO 0.65 0.26 -0.80 1.21 -0.21 0.00 0.00 178.00 179.11 1xpn s ASN 25 N -5.95 2.41 -0.59 -2.05 2.47 -1.26 -5.10 114.94 104.87 1xpn s ASN 25 Ca -0.08 -0.76 -0.13 0.00 0.42 0.00 0.00 52.86 52.31 1xpn s ASN 25 Cb 0.21 -0.12 0.15 0.00 -1.45 0.00 0.00 41.25 40.03 1xpn s ASN 25 CO 0.77 -0.02 0.51 1.51 -3.72 0.00 0.00 177.10 176.15 1xpn s ASP 26 N -2.23 6.12 0.21 -4.21 -4.77 -1.26 -5.00 116.67 105.53 1xpn s ASP 26 Ca 0.09 -2.08 0.00 0.00 -3.30 0.00 0.00 52.55 47.26 1xpn s ASP 26 Cb -0.08 -2.13 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 1xpn s ASP 26 CO 0.05 -0.72 0.00 0.18 0.70 0.00 0.00 175.17 175.37 1xpn n LEU 27 N 4.77 -0.39 0.00 2.11 4.77 -1.26 -4.82 117.00 122.19 1xpn n LEU 27 Ca -0.05 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1xpn n LEU 27 Cb 0.42 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.39 1xpn n LEU 27 CO 0.45 -1.47 0.22 -2.65 -1.33 0.00 0.00 177.39 172.61 1xpn n PRO 28 N -3.15 0.00 -1.24 3.23 -0.02 -1.26 -5.07 135.00 127.48 1xpn n PRO 28 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xpn n PRO 28 Cb 0.31 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.97 0.00 -2.93 2.55 -0.08 -1.26 -5.08 116.55 108.77 1xpn n ASP 29 Ca 0.00 -0.87 -0.11 0.00 -1.51 0.00 0.00 54.79 52.30 1xpn n ASP 29 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1xpn n ASP 29 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1xpn n PHE 30 N 0.00 -3.39 -2.03 -0.67 3.72 -1.26 -4.61 117.46 109.23 1xpn n PHE 30 Ca 0.00 1.39 -0.27 0.00 -0.05 0.00 0.00 57.45 58.52 1xpn n PHE 30 Cb 0.00 -3.72 -0.06 0.00 -0.94 0.00 0.00 39.48 34.75 1xpn n PHE 30 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1xpn s PRO 31 N -2.45 2.42 0.00 -1.08 0.02 -1.26 -4.35 135.00 128.31 1xpn s PRO 31 Ca 0.24 -0.92 0.00 0.00 0.02 0.00 0.00 61.00 60.33 1xpn s PRO 31 Cb -0.06 -5.19 0.00 0.00 0.02 0.00 0.00 34.50 29.28 1xpn s PRO 31 CO 0.77 -3.95 0.00 0.39 -0.33 0.00 0.00 177.00 173.88 1xpn n GLU 32 N 8.40 0.00 0.26 5.54 4.71 -1.26 -4.70 120.64 133.60 1xpn n GLU 32 Ca 0.44 0.00 0.18 0.00 -0.01 0.00 0.00 57.16 57.76 1xpn n GLU 32 Cb 0.47 -1.88 0.92 0.00 -1.01 0.00 0.00 31.44 29.94 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 0.00 -0.32 2.76 -1.98 -0.51 115.15 115.10 1xpn h HIS 33 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1xpn h HIS 33 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1xpn h HIS 33 CO 0.00 0.00 -0.08 1.49 -1.30 0.00 0.00 177.93 178.04 1xpn h GLU 34 N 0.00 0.00 0.00 5.26 4.81 -1.84 -1.31 114.58 121.51 1xpn h GLU 34 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xpn h GLU 34 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xpn h GLU 34 CO -0.00 0.08 0.00 0.66 -0.73 0.00 0.00 179.01 179.02 1xpn n TYR 35 N -4.15 0.00 1.46 0.92 4.02 -0.20 -2.99 117.16 116.22 1xpn n TYR 35 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.00 1xpn n TYR 35 Cb 0.16 -0.38 0.55 0.00 -0.02 0.00 0.00 39.34 39.65 1xpn n TYR 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xpn n ALA 36 N -1.38 2.78 0.37 -0.72 0.00 -0.49 -3.54 120.51 117.53 1xpn n ALA 36 Ca 0.11 -0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.28 1xpn n ALA 36 Cb 0.28 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.49 2.40 -2.81 0.00 0.00 -1.16 -4.85 120.51 113.61 1xpn n ALA 37 Ca 0.16 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.33 1xpn n ALA 37 Cb 0.31 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.29 4.60 -0.23 0.00 2.01 -1.23 -4.88 115.64 114.63 1xpn s THR 38 Ca 0.26 -1.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.31 1xpn s THR 38 Cb 0.16 -4.95 0.12 0.00 0.01 0.00 0.00 72.50 67.83 1xpn s THR 38 CO 0.23 -1.72 0.34 -1.10 -0.69 0.00 0.00 174.62 171.67 1xpn s GLN 39 N 2.92 0.30 0.00 4.92 -0.21 -1.26 -5.11 119.66 121.22 1xpn s GLN 39 Ca 0.43 0.49 0.00 0.00 0.02 0.00 0.00 55.36 56.29 1xpn s GLN 39 Cb -0.02 -0.60 0.00 0.00 1.00 0.00 0.00 33.01 33.39 1xpn s GLN 39 CO -0.03 -0.61 0.00 0.94 -2.12 0.00 0.00 175.29 173.48 1xpn n GLN 40 N 5.35 0.00 -1.93 2.91 -0.06 -1.26 -5.14 117.38 117.25 1xpn n GLN 40 Ca -0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.55 1xpn n GLN 40 Cb 0.50 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.67 1xpn n GLN 40 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1xpn s VAL 41 N 0.00 2.37 0.20 1.69 0.11 -1.26 -4.11 120.40 119.40 1xpn s VAL 41 Ca 0.00 0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1xpn s VAL 41 Cb 0.00 -3.22 -0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1xpn s VAL 41 CO 0.00 0.07 0.04 0.61 -3.33 0.00 0.00 175.10 172.49 1xpn n GLY 42 N 1.17 3.80 0.57 6.54 0.00 -0.89 -4.62 105.19 111.75 1xpn n GLY 42 Ca 0.03 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1xpn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 43 N 1.50 0.57 3.63 -0.02 0.00 -0.88 -3.57 105.19 106.41 1xpn n GLY 43 Ca -0.05 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1xpn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xpn s GLY 44 N -0.98 1.44 -0.34 -0.02 0.00 0.05 -4.39 107.32 103.07 1xpn s GLY 44 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 1xpn s GLY 44 CO -0.01 2.42 0.57 0.14 0.00 0.00 0.00 173.10 176.22 1xpn s VAL 45 N 4.08 4.96 -0.27 1.40 1.01 -1.23 -3.76 120.40 126.59 1xpn s VAL 45 Ca 0.50 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1xpn s VAL 45 Cb -0.13 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1xpn s VAL 45 CO 0.21 -0.23 -0.05 -0.63 0.00 0.00 0.00 175.10 174.41 1xpn s ILE 46 N 2.53 2.76 -0.28 2.22 1.01 0.93 -0.33 121.20 130.05 1xpn s ILE 46 Ca 0.22 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1xpn s ILE 46 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1xpn s ILE 46 CO 0.13 0.01 0.16 0.20 0.00 0.00 0.00 174.94 175.44 1xpn s ASN 47 N 1.24 5.71 -0.27 3.58 -0.87 0.08 0.24 114.94 124.66 1xpn s ASN 47 Ca -0.04 -0.18 -0.09 0.00 -1.57 0.00 0.00 52.86 50.98 1xpn s ASN 47 Cb -0.19 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 1xpn s ASN 47 CO -0.03 -0.08 0.13 -0.83 -2.57 0.00 0.00 177.10 173.72 1xpn s GLY 48 N 1.69 1.85 -0.44 0.66 0.00 0.13 0.23 107.32 111.44 1xpn s GLY 48 Ca 0.06 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.49 1xpn s GLY 48 CO 0.08 0.60 0.46 -0.35 0.00 0.00 0.00 173.10 173.89 1xpn s ASP 49 N 1.69 6.20 -0.07 1.64 -1.08 -0.82 -1.09 116.67 123.13 1xpn s ASP 49 Ca 0.07 -0.77 -0.16 0.00 -0.52 0.00 0.00 52.55 51.17 1xpn s ASP 49 Cb -0.16 -2.23 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 1xpn s ASP 49 CO 0.07 -0.63 0.41 -0.22 0.52 0.00 0.00 175.17 175.32 1xpn s LEU 50 N 2.16 4.36 -0.30 -1.34 2.96 -0.09 -0.18 118.68 126.27 1xpn s LEU 50 Ca 0.12 0.83 -0.18 0.00 -0.22 0.00 0.00 54.13 54.68 1xpn s LEU 50 Cb -0.18 -2.58 0.19 0.00 0.50 0.00 0.00 46.19 44.11 1xpn s LEU 50 CO 0.13 0.17 1.19 -0.72 -1.32 0.00 0.00 176.35 175.80 1xpn s TYR 51 N -0.21 -0.26 -0.24 5.38 1.13 -0.96 -4.66 117.35 117.53 1xpn s TYR 51 Ca 0.23 0.45 -0.06 0.00 -1.41 0.00 0.00 57.07 56.29 1xpn s TYR 51 Cb -0.15 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 1xpn s TYR 51 CO 0.11 -0.13 0.02 -0.51 -2.51 0.00 0.00 175.55 172.52 1xpn s LEU 52 N 1.99 3.21 -0.07 -3.49 1.43 0.50 -4.42 118.68 117.83 1xpn s LEU 52 Ca -0.02 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1xpn s LEU 52 Cb -0.02 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xpn s LEU 52 CO -0.16 -0.04 1.05 -0.89 0.23 0.00 0.00 176.35 176.54 1xpn s THR 53 N 1.54 4.65 0.88 5.49 2.01 -1.26 -0.31 115.64 128.64 1xpn s THR 53 Ca 0.06 1.92 -0.12 0.00 0.31 0.00 0.00 61.69 63.86 1xpn s THR 53 Cb -0.15 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.24 1xpn s THR 53 CO 0.00 0.03 1.09 -0.44 -0.69 0.00 0.00 174.62 174.62 1xpn s SER 54 N 1.16 3.64 0.29 3.53 0.01 0.19 -4.89 113.70 117.63 1xpn s SER 54 Ca 0.51 1.43 0.22 0.00 1.31 0.00 0.00 55.95 59.42 1xpn s SER 54 Cb -0.21 -2.12 1.08 0.00 0.21 0.00 0.00 66.02 64.98 1xpn s SER 54 CO 0.21 -2.53 1.67 0.00 0.41 0.00 0.00 173.24 173.01 1xpn n ALA 55 N -3.80 1.30 1.53 1.44 0.00 -1.26 -0.55 120.51 119.16 1xpn n ALA 55 Ca 0.07 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1xpn n ALA 55 Cb 0.56 -1.34 0.55 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.24 1.30 0.00 0.00 7.64 -1.26 -4.90 113.62 114.16 1xpn n SER 56 Ca 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1xpn n SER 56 Cb 0.11 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.14 0.81 3.74 0.23 0.00 0.28 -5.03 105.19 106.36 1xpn n GLY 57 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.10 3.33 -0.36 4.61 0.00 -1.25 -4.79 121.76 120.20 1xpn s ALA 58 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 1xpn s ALA 58 Cb 0.00 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 1xpn s ALA 58 CO 0.00 0.04 0.43 0.42 0.00 0.00 0.00 175.76 176.65 1xpn s ILE 59 N -0.76 5.09 -0.73 0.00 1.01 -1.26 0.53 121.20 125.07 1xpn s ILE 59 Ca 0.44 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1xpn s ILE 59 Cb -0.27 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.37 1xpn s ILE 59 CO 0.33 -0.22 0.96 -1.10 0.00 0.00 0.00 174.94 174.91 1xpn s GLN 60 N 2.18 3.25 0.45 2.79 -1.52 0.58 -4.89 119.66 122.49 1xpn s GLN 60 Ca 0.14 -1.24 0.15 0.00 -1.95 0.00 0.00 55.36 52.46 1xpn s GLN 60 Cb -0.16 -4.45 1.00 0.00 -0.22 0.00 0.00 33.01 29.18 1xpn s GLN 60 CO 0.13 -1.74 1.99 -0.22 -0.25 0.00 0.00 175.29 175.19 1xpn h LYS 61 N 9.24 0.00 -2.15 2.91 3.11 -1.84 0.14 116.57 127.98 1xpn h LYS 61 Ca -0.15 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1xpn h LYS 61 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 1xpn h LYS 61 CO 1.14 0.19 0.00 0.41 -2.81 0.00 0.00 179.45 178.38 1xpn n GLY 62 N -0.98 -2.11 3.45 5.01 0.00 -1.26 -3.93 105.19 105.36 1xpn n GLY 62 Ca -0.02 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 4.43 -1.44 2.61 2.01 -1.26 -4.39 115.64 117.60 1xpn s THR 63 Ca 0.00 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1xpn s THR 63 Cb 0.00 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1xpn s THR 63 CO 0.00 0.23 0.99 0.59 -0.69 0.00 0.00 174.62 175.74 1xpn n ASN 64 N 4.94 -5.88 -4.76 3.53 3.02 -1.21 -4.96 115.26 109.95 1xpn n ASN 64 Ca -0.15 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.47 1xpn n ASN 64 Cb 0.50 -4.67 -0.06 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.27 4.46 -0.25 3.41 2.01 -1.26 -4.74 115.64 116.01 1xpn s THR 65 Ca 0.54 1.76 -0.19 0.00 0.31 0.00 0.00 61.69 64.12 1xpn s THR 65 Cb -0.25 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1xpn s THR 65 CO 0.66 0.45 0.54 -0.75 -0.69 0.00 0.00 174.62 174.84 1xpn s LYS 66 N -0.71 4.11 -0.04 4.92 2.36 -1.26 -1.24 119.74 127.88 1xpn s LYS 66 Ca 0.38 0.40 -0.00 0.00 -2.55 0.00 0.00 55.97 54.19 1xpn s LYS 66 Cb -0.23 -3.63 -0.04 0.00 -1.05 0.00 0.00 37.83 32.89 1xpn s LYS 66 CO 0.26 -0.32 0.02 0.08 1.55 0.00 0.00 175.35 176.94 1xpn s VAL 67 N 2.20 4.33 -0.20 4.02 1.01 0.73 -4.48 120.40 128.01 1xpn s VAL 67 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1xpn s VAL 67 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1xpn s VAL 67 CO 0.09 0.47 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 1xpn s ALA 68 N -1.02 2.59 -0.45 5.51 0.00 0.55 -0.82 121.76 128.11 1xpn s ALA 68 Ca 0.17 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1xpn s ALA 68 Cb -0.12 -1.45 0.08 0.00 0.00 0.00 0.00 23.12 21.64 1xpn s ALA 68 CO 0.07 -0.37 0.33 -1.17 0.00 0.00 0.00 175.76 174.62 1xpn s LEU 69 N 1.36 5.43 -0.10 0.00 2.96 0.76 -0.67 118.68 128.41 1xpn s LEU 69 Ca 0.05 -1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 52.41 1xpn s LEU 69 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1xpn s LEU 69 CO -0.07 -0.61 0.05 -1.61 -1.32 0.00 0.00 176.35 172.79 1xpn s GLU 70 N 1.50 3.22 -0.03 1.98 2.02 -0.14 -0.79 118.70 126.47 1xpn s GLU 70 Ca 0.04 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1xpn s GLU 70 Cb -0.24 -2.96 -0.07 0.00 0.10 0.00 0.00 34.13 30.96 1xpn s GLU 70 CO 0.03 0.70 1.74 -2.14 0.02 0.00 0.00 175.26 175.61 1xpn s PRO 71 N -0.84 4.17 -0.56 0.39 0.02 -1.26 0.28 135.00 137.20 1xpn s PRO 71 Ca 0.13 2.31 -0.27 0.00 0.02 0.00 0.00 61.00 63.19 1xpn s PRO 71 Cb -0.12 -4.03 -0.01 0.00 0.02 0.00 0.00 34.50 30.36 1xpn s PRO 71 CO 0.03 -0.88 1.67 0.00 -0.33 0.00 0.00 177.00 177.49 1xpn s ALA 72 N 4.15 2.53 0.32 -1.55 0.00 0.24 -4.81 121.76 122.63 1xpn s ALA 72 Ca 0.78 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1xpn s ALA 72 Cb -0.36 -4.19 -0.02 0.00 0.00 0.00 0.00 23.12 18.55 1xpn s ALA 72 CO 0.33 -3.34 0.32 0.95 0.00 0.00 0.00 175.76 174.02 1xpn s THR 73 N 7.52 3.86 0.32 0.00 -4.23 -1.26 -4.70 115.64 117.16 1xpn s THR 73 Ca 0.62 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1xpn s THR 73 Cb -0.13 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.51 1xpn s THR 73 CO 0.24 -0.20 1.80 0.28 -0.54 0.00 0.00 174.62 176.19 1xpn h SER 74 N 1.21 0.00 -0.05 3.99 0.02 -1.97 -2.59 113.55 114.16 1xpn h SER 74 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1xpn h SER 74 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1xpn h SER 74 CO 0.58 0.39 -0.00 0.22 -1.14 0.00 0.00 176.83 176.88 1xpn h TYR 75 N 0.00 0.16 -0.23 3.45 3.20 -1.87 -2.69 116.97 118.99 1xpn h TYR 75 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1xpn h TYR 75 Cb 0.75 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1xpn h TYR 75 CO 0.00 0.17 0.00 -1.33 -1.64 0.00 0.00 178.16 175.36 1xpn n MET 76 N -4.43 2.20 -0.22 1.82 2.81 -0.98 -4.38 117.12 113.93 1xpn n MET 76 Ca -0.01 -1.79 -0.05 0.00 -1.81 0.00 0.00 57.70 54.03 1xpn n MET 76 Cb 0.15 -1.47 0.05 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 3.75 0.78 0.00 0.03 1.57 -1.48 0.20 116.57 121.42 1xpn h LYS 77 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1xpn h LYS 77 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1xpn h LYS 77 CO 0.00 0.52 -0.34 0.00 -0.57 0.00 0.00 179.45 179.05 1xpn h ALA 78 N 1.25 0.96 0.05 3.86 0.00 -1.80 -2.64 119.26 120.94 1xpn h ALA 78 Ca 0.24 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1xpn h ALA 78 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xpn h ALA 78 CO -0.07 0.43 -1.07 -0.92 0.00 0.00 0.00 179.25 177.62 1xpn h TYR 79 N 0.00 0.98 0.00 0.00 5.03 -1.56 -3.11 116.97 118.30 1xpn h TYR 79 Ca -0.00 -0.57 -0.04 0.00 2.58 0.00 0.00 58.73 60.69 1xpn h TYR 79 Cb 0.91 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1xpn h TYR 79 CO 0.00 1.41 -0.21 -0.92 -1.32 0.00 0.00 178.16 177.11 1xpn h TYR 80 N 0.27 0.00 -0.75 -3.82 3.20 -0.56 0.23 116.97 115.54 1xpn h TYR 80 Ca -0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 1xpn h TYR 80 Cb 1.74 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.97 1xpn h TYR 80 CO 0.12 0.21 0.26 0.00 -1.64 0.00 0.00 178.16 177.11 1xpn h ALA 81 N 1.79 1.05 0.00 1.82 0.00 -1.41 -0.21 119.26 122.30 1xpn h ALA 81 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xpn h ALA 81 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xpn h ALA 81 CO 0.03 0.65 -0.36 0.87 0.00 0.00 0.00 179.25 180.44 1xpn h LYS 82 N 1.10 0.00 -0.54 0.00 1.79 -1.37 -3.41 116.57 114.14 1xpn h LYS 82 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1xpn h LYS 82 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1xpn h LYS 82 CO -0.01 0.24 0.00 1.19 -1.08 0.00 0.00 179.45 179.78 1xpn n PHE 83 N -4.65 0.71 0.40 -1.35 3.01 0.74 -4.44 117.46 111.87 1xpn n PHE 83 Ca -0.08 -0.35 -0.17 0.00 1.01 0.00 0.00 57.45 57.85 1xpn n PHE 83 Cb 0.24 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 1xpn n PHE 83 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xpn h GLY 84 N 4.55 -1.06 -6.93 1.37 0.00 -1.13 -3.41 103.07 96.46 1xpn h GLY 84 Ca 0.00 0.39 -0.59 0.00 0.00 0.00 0.00 47.33 47.14 1xpn h GLY 84 CO 0.00 -0.39 -0.77 0.21 0.00 0.00 0.00 176.54 175.59 1xpn s ASN 85 N -4.36 3.61 -0.15 0.19 3.84 -1.25 -1.49 114.94 115.32 1xpn s ASN 85 Ca -0.17 -2.05 0.00 0.00 0.21 0.00 0.00 52.86 50.86 1xpn s ASN 85 Cb 0.02 -0.75 0.03 0.00 -0.55 0.00 0.00 41.25 39.99 1xpn s ASN 85 CO 0.53 -0.35 -0.13 -0.22 -2.79 0.00 0.00 177.10 174.14 1xpn s LEU 86 N 1.14 1.75 0.59 3.21 0.20 -0.24 -5.00 118.68 120.32 1xpn s LEU 86 Ca 0.14 -0.54 -0.19 0.00 0.69 0.00 0.00 54.13 54.24 1xpn s LEU 86 Cb -0.21 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 1xpn s LEU 86 CO -0.12 -0.07 1.19 -0.62 -0.29 0.00 0.00 176.35 176.44 1xpn s ASP 87 N 1.48 5.28 0.52 3.68 -1.08 -1.26 -0.79 116.67 124.51 1xpn s ASP 87 Ca 0.04 2.34 0.24 0.00 -0.52 0.00 0.00 52.55 54.66 1xpn s ASP 87 Cb -0.13 -2.59 1.42 0.00 -1.46 0.00 0.00 42.92 40.15 1xpn s ASP 87 CO -0.10 -1.53 2.09 0.00 0.52 0.00 0.00 175.17 176.16 1xpn h ALA 88 N 0.92 1.45 0.00 3.66 0.00 -1.44 0.22 119.26 124.07 1xpn h ALA 88 Ca -0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1xpn h ALA 88 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xpn h ALA 88 CO 0.55 0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.86 1xpn h ALA 89 N 1.89 1.01 -0.01 0.00 0.00 -1.84 -1.91 119.26 118.40 1xpn h ALA 89 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xpn h ALA 89 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xpn h ALA 89 CO 0.01 0.10 -0.12 1.63 0.00 0.00 0.00 179.25 180.88 1xpn n LYS 90 N -3.21 1.15 -2.00 0.00 4.76 0.76 -4.74 118.16 114.87 1xpn n LYS 90 Ca 0.01 -0.61 -0.31 0.00 -2.87 0.00 0.00 58.31 54.53 1xpn n LYS 90 Cb 0.36 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1xpn s ARG 91 N -2.27 2.51 -0.13 1.97 6.06 -0.72 -4.94 118.95 121.42 1xpn s ARG 91 Ca 0.32 0.15 -0.05 0.00 -2.50 0.00 0.00 55.73 53.65 1xpn s ARG 91 Cb 0.20 -4.78 -0.04 0.00 0.06 0.00 0.00 34.95 30.39 1xpn s ARG 91 CO 0.43 -3.20 0.05 0.34 -2.50 0.00 0.00 175.30 170.42 1xpn s ASP 92 N 8.39 5.63 0.62 -2.12 -1.08 -1.26 -4.99 116.67 121.86 1xpn s ASP 92 Ca 0.71 0.19 0.35 0.00 -0.52 0.00 0.00 52.55 53.28 1xpn s ASP 92 Cb -0.10 -1.80 1.90 0.00 -1.46 0.00 0.00 42.92 41.47 1xpn s ASP 92 CO 0.09 0.31 2.06 -0.65 0.52 0.00 0.00 175.17 177.50 1xpn h PRO 93 N 5.69 0.00 0.00 4.34 0.11 -2.01 0.72 132.00 140.85 1xpn h PRO 93 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1xpn h PRO 93 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xpn h PRO 93 CO 0.61 0.00 -0.59 0.22 -0.21 0.00 0.00 178.00 178.03 1xpn h ASP 94 N 0.00 0.00 -0.71 -2.05 3.58 -1.98 -3.37 116.42 111.88 1xpn h ASP 94 Ca 0.00 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.74 1xpn h ASP 94 Cb 0.31 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.27 1xpn h ASP 94 CO 0.00 0.59 2.50 0.52 -2.88 0.00 0.00 179.24 179.98 1xpn n VAL 95 N -3.54 3.84 -3.43 2.25 0.31 0.24 -4.95 118.33 113.05 1xpn n VAL 95 Ca -0.00 -3.74 -0.37 0.00 -0.01 0.00 0.00 64.34 60.22 1xpn n VAL 95 Cb 0.66 -2.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.05 1xpn n VAL 95 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xpn s GLN 96 N 2.73 3.96 -0.28 5.55 -0.21 -1.26 -4.85 119.66 125.29 1xpn s GLN 96 Ca 0.47 0.46 -0.29 0.00 0.02 0.00 0.00 55.36 56.01 1xpn s GLN 96 Cb 0.09 -3.10 -0.00 0.00 1.00 0.00 0.00 33.01 31.00 1xpn s GLN 96 CO -0.02 0.59 1.34 -2.14 -2.12 0.00 0.00 175.29 172.95 1xpn s PRO 97 N -1.50 3.92 0.72 2.91 0.02 -1.26 -5.02 135.00 134.79 1xpn s PRO 97 Ca 0.31 1.32 -0.13 0.00 0.02 0.00 0.00 61.00 62.52 1xpn s PRO 97 Cb -0.16 -3.89 0.03 0.00 0.02 0.00 0.00 34.50 30.50 1xpn s PRO 97 CO 0.17 -1.12 1.11 -2.14 -0.33 0.00 0.00 177.00 174.69 1xpn s PRO 98 N 4.20 2.42 -0.34 5.54 0.02 -1.26 -4.94 135.00 140.65 1xpn s PRO 98 Ca 0.58 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1xpn s PRO 98 Cb -0.18 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1xpn s PRO 98 CO 0.23 -1.54 1.70 0.08 -0.33 0.00 0.00 177.00 177.15 1xpn s VAL 99 N -2.53 3.58 0.00 3.83 1.01 -1.26 -4.98 120.40 120.05 1xpn s VAL 99 Ca 0.65 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1xpn s VAL 99 Cb -0.20 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1xpn s VAL 99 CO 0.48 -0.48 0.00 0.18 0.00 0.00 0.00 175.10 175.28 1xpn n LEU 100 N 9.82 0.00 -4.72 3.92 4.77 -1.26 -5.04 117.00 124.50 1xpn n LEU 100 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1xpn n LEU 100 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1xpn n LEU 100 CO 0.69 -0.13 0.99 -0.62 -1.33 0.00 0.00 177.39 176.99 1xpn s ASP 101 N -1.00 6.91 0.52 -1.43 2.15 -1.26 -4.92 116.67 117.65 1xpn s ASP 101 Ca 0.00 2.26 0.28 0.00 0.43 0.00 0.00 52.55 55.51 1xpn s ASP 101 Cb 0.00 -2.59 1.46 0.00 -0.30 0.00 0.00 42.92 41.49 1xpn s ASP 101 CO 0.00 -0.57 2.07 1.55 -0.17 0.00 0.00 175.17 178.06 1xpn h PRO 102 N 6.45 0.00 0.00 4.34 0.13 -2.01 -2.53 132.00 138.38 1xpn h PRO 102 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xpn h PRO 102 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xpn h PRO 102 CO 0.83 0.11 0.00 0.54 -0.23 0.00 0.00 178.00 179.25 1xpn n ARG 103 N -3.63 0.14 -0.13 0.86 1.74 -1.26 -2.05 116.66 112.33 1xpn n ARG 103 Ca -0.02 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1xpn n ARG 103 Cb 0.24 -1.78 0.48 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.00 0.46 0.00 5.56 3.08 -1.85 -0.74 114.38 120.88 1xpn h ARG 104 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xpn h ARG 104 Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xpn h ARG 104 CO 0.00 0.30 -0.07 0.00 -1.07 0.00 0.00 179.97 179.13 1xpn h ALA 105 N 1.67 1.24 0.03 0.04 0.00 -1.65 0.25 119.26 120.82 1xpn h ALA 105 Ca 0.31 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.83 1xpn h ALA 105 Cb 0.59 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1xpn h ALA 105 CO -0.10 0.09 -1.94 2.41 0.00 0.00 0.00 179.25 179.71 1xpn n THR 106 N -3.51 1.60 0.08 0.00 -1.04 -0.35 -4.46 114.28 106.59 1xpn n THR 106 Ca -0.02 -0.77 -0.21 0.00 -2.04 0.00 0.00 64.05 61.02 1xpn n THR 106 Cb 0.20 -1.10 -0.15 0.00 -1.82 0.00 0.00 70.33 67.46 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 0.66 -2.75 -1.42 0.05 -0.74 -3.44 116.97 109.35 1xpn h TYR 107 Ca -0.38 -0.48 -0.58 0.00 0.05 0.00 0.00 58.73 57.34 1xpn h TYR 107 Cb 2.06 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 39.74 1xpn h TYR 107 CO 0.02 1.54 1.23 0.08 -1.05 0.00 0.00 178.16 179.98 1xpn s VAL 108 N -2.60 3.55 -0.13 -2.88 1.01 0.81 -4.65 120.40 115.51 1xpn s VAL 108 Ca -0.12 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 1xpn s VAL 108 Cb 0.06 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1xpn s VAL 108 CO 0.87 -0.43 0.67 -0.60 0.00 0.00 0.00 175.10 175.61 1xpn s ARG 109 N 5.43 4.34 -0.19 2.72 3.52 0.03 -4.85 118.95 129.95 1xpn s ARG 109 Ca 0.77 0.77 -0.09 0.00 -0.13 0.00 0.00 55.73 57.05 1xpn s ARG 109 Cb -0.22 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1xpn s ARG 109 CO 0.33 -0.07 0.10 -1.21 -0.81 0.00 0.00 175.30 173.64 1xpn s GLU 110 N 1.31 4.07 0.14 5.12 2.02 -1.26 -0.17 118.70 129.92 1xpn s GLU 110 Ca 0.33 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.11 1xpn s GLU 110 Cb -0.17 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1xpn s GLU 110 CO 0.14 0.30 -0.12 0.00 0.02 0.00 0.00 175.26 175.60 1xpn s ALA 111 N 0.32 1.51 -0.13 5.21 0.00 -0.00 -4.98 121.76 123.68 1xpn s ALA 111 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1xpn s ALA 111 Cb -0.12 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1xpn s ALA 111 CO -0.01 0.02 -0.12 0.99 0.00 0.00 0.00 175.76 176.64 1xpn s THR 112 N -2.68 1.39 0.26 0.00 2.01 -1.26 -0.19 115.64 115.16 1xpn s THR 112 Ca 0.13 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1xpn s THR 112 Cb -0.02 -1.33 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 1xpn s THR 112 CO 0.02 0.43 1.60 0.35 -0.69 0.00 0.00 174.62 176.33 1xpn n THR 113 N 4.80 0.75 -1.06 -0.82 -2.24 -0.37 -4.84 114.28 110.50 1xpn n THR 113 Ca -0.16 -0.19 -0.28 0.00 -2.27 0.00 0.00 64.05 61.16 1xpn n THR 113 Cb 0.50 -1.89 0.24 0.00 -2.10 0.00 0.00 70.33 67.07 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 2.61 -1.95 0.24 3.42 8.00 -0.42 -3.32 116.55 125.14 1xpn n ASP 114 Ca 0.11 -1.15 0.17 0.00 0.71 0.00 0.00 54.79 54.63 1xpn n ASP 114 Cb 0.35 -0.95 0.88 0.00 -0.02 0.00 0.00 41.12 41.38 1xpn n ASP 114 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1xpn h GLN 115 N 0.00 0.00 -0.11 -1.24 4.20 -1.94 0.12 115.11 116.14 1xpn h GLN 115 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1xpn h GLN 115 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1xpn h GLN 115 CO 0.26 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.51 1xpn n ASN 116 N -3.72 1.14 -2.56 1.46 4.13 -1.26 -4.91 115.26 109.54 1xpn n ASN 116 Ca -0.00 -1.61 -0.15 0.00 1.68 0.00 0.00 54.58 54.51 1xpn n ASN 116 Cb 0.25 -0.07 0.05 0.00 -1.54 0.00 0.00 39.78 38.48 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 1.03 -0.05 2.98 7.41 0.00 0.41 -4.89 105.19 112.07 1xpn n GLY 117 Ca 0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.59 0.37 -0.13 1.61 3.52 -1.26 -0.91 118.95 116.56 1xpn s ARG 118 Ca 0.28 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1xpn s ARG 118 Cb -0.12 -0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.07 1xpn s ARG 118 CO 0.48 0.04 -0.17 -0.59 -0.81 0.00 0.00 175.30 174.25 1xpn s PHE 119 N -0.75 2.27 -0.16 5.12 -0.71 -0.25 -1.30 117.98 122.19 1xpn s PHE 119 Ca -0.05 -1.15 -0.02 0.00 -1.04 0.00 0.00 56.93 54.66 1xpn s PHE 119 Cb -0.06 -1.60 -0.02 0.00 -1.21 0.00 0.00 43.02 40.13 1xpn s PHE 119 CO -0.00 -0.58 -0.08 -0.51 -1.34 0.00 0.00 175.22 172.72 1xpn s ASP 120 N 1.05 4.35 0.17 1.98 1.01 -1.26 0.18 116.67 124.14 1xpn s ASP 120 Ca -0.04 -0.28 0.10 0.00 0.71 0.00 0.00 52.55 53.04 1xpn s ASP 120 Cb -0.15 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 1xpn s ASP 120 CO -0.04 0.12 -0.16 -0.36 0.21 0.00 0.00 175.17 174.94 1xpn s PHE 121 N 0.63 2.52 0.27 4.23 0.08 0.14 -4.99 117.98 120.86 1xpn s PHE 121 Ca -0.05 -0.27 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1xpn s PHE 121 Cb -0.15 -1.27 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1xpn s PHE 121 CO 0.03 0.47 0.68 -0.40 -0.10 0.00 0.00 175.22 175.90 1xpn n ASP 122 N 0.32 -1.73 -1.87 1.36 5.75 -1.26 -0.05 116.55 119.07 1xpn n ASP 122 Ca -0.13 -2.14 -0.17 0.00 -0.01 0.00 0.00 54.79 52.35 1xpn n ASP 122 Cb 0.55 2.87 -0.02 0.00 -1.03 0.00 0.00 41.12 43.49 1xpn n ASP 122 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xpn n HIS 123 N -0.47 -0.71 -4.50 2.11 8.25 -1.25 -4.93 115.22 113.72 1xpn n HIS 123 Ca -0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 1xpn n HIS 123 Cb 0.47 -3.38 -0.12 0.00 1.12 0.00 0.00 29.99 28.09 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xpn s ILE 124 N -2.83 3.82 1.18 1.59 1.01 -1.23 -2.10 121.20 122.64 1xpn s ILE 124 Ca 0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 1xpn s ILE 124 Cb 0.00 -2.62 0.28 0.00 0.01 0.00 0.00 42.46 40.13 1xpn s ILE 124 CO 0.00 0.54 1.14 -2.16 0.00 0.00 0.00 174.94 174.47 1xpn s PRO 125 N -0.18 -1.07 0.05 2.79 0.04 -1.26 -0.77 135.00 134.59 1xpn s PRO 125 Ca 0.03 -0.16 -0.16 0.00 0.04 0.00 0.00 61.00 60.75 1xpn s PRO 125 Cb -0.13 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1xpn s PRO 125 CO 0.03 -3.59 0.47 -0.80 0.04 0.00 0.00 177.00 173.15 1xpn s ASN 126 N -4.08 6.87 0.00 6.66 0.02 -1.26 -4.80 114.94 118.35 1xpn s ASN 126 Ca 0.72 1.05 0.00 0.00 -1.02 0.00 0.00 52.86 53.61 1xpn s ASN 126 Cb -0.08 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1xpn s ASN 126 CO 0.55 0.27 0.00 0.61 0.02 0.00 0.00 177.10 178.55 1xpn n GLY 127 N 1.58 -1.10 3.79 0.66 0.00 -0.35 -5.01 105.19 104.76 1xpn n GLY 127 Ca -0.11 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 1xpn n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 128 N -2.98 5.33 0.05 2.61 -4.23 -1.26 -0.28 115.64 114.87 1xpn s THR 128 Ca 0.00 0.46 0.03 0.00 -1.18 0.00 0.00 61.69 61.00 1xpn s THR 128 Cb 0.00 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 1xpn s THR 128 CO 0.00 0.50 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.18 1xpn s TYR 129 N -0.27 0.80 -0.25 3.99 2.02 0.30 -0.59 117.35 123.35 1xpn s TYR 129 Ca 0.16 -0.48 -0.09 0.00 -0.37 0.00 0.00 57.07 56.29 1xpn s TYR 129 Cb -0.13 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1xpn s TYR 129 CO 0.05 -0.05 0.12 0.71 -1.57 0.00 0.00 175.55 174.81 1xpn s TYR 130 N -1.33 3.17 -0.50 2.71 2.02 0.14 -0.17 117.35 123.40 1xpn s TYR 130 Ca -0.08 -0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.34 1xpn s TYR 130 Cb -0.10 -2.27 0.07 0.00 -0.40 0.00 0.00 41.96 39.26 1xpn s TYR 130 CO 0.01 -0.19 0.51 0.42 -1.57 0.00 0.00 175.55 174.72 1xpn s ILE 131 N 1.48 5.07 -0.02 2.71 1.01 -0.03 -0.96 121.20 130.47 1xpn s ILE 131 Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1xpn s ILE 131 Cb -0.15 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1xpn s ILE 131 CO 0.06 -0.72 -0.09 -0.44 0.00 0.00 0.00 174.94 173.75 1xpn s SER 132 N 2.78 4.45 -0.17 3.58 0.01 0.16 -1.17 113.70 123.33 1xpn s SER 132 Ca 0.09 -0.15 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 1xpn s SER 132 Cb -0.23 -1.01 0.06 0.00 0.21 0.00 0.00 66.02 65.05 1xpn s SER 132 CO 0.08 0.31 0.61 -0.94 0.41 0.00 0.00 173.24 173.71 1xpn s SER 133 N -1.17 -0.61 -0.38 2.44 1.04 -0.31 -0.33 113.70 114.38 1xpn s SER 133 Ca 0.15 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1xpn s SER 133 Cb -0.11 1.02 0.07 0.00 0.10 0.00 0.00 66.02 67.10 1xpn s SER 133 CO 0.05 -0.32 0.18 -0.70 0.98 0.00 0.00 173.24 173.42 1xpn s GLU 134 N -0.16 2.45 -0.22 4.02 -6.30 -1.26 -0.56 118.70 116.68 1xpn s GLU 134 Ca -0.04 -1.45 0.01 0.00 -2.50 0.00 0.00 54.97 50.99 1xpn s GLU 134 Cb -0.03 -3.58 0.05 0.00 0.00 0.00 0.00 34.13 30.57 1xpn s GLU 134 CO 0.03 -0.87 -0.07 -1.17 0.02 0.00 0.00 175.26 173.21 1xpn s LEU 135 N 1.33 2.36 -0.04 2.70 2.96 -0.40 -4.91 118.68 122.69 1xpn s LEU 135 Ca 0.02 -1.03 0.07 0.00 -0.22 0.00 0.00 54.13 52.96 1xpn s LEU 135 Cb -0.22 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1xpn s LEU 135 CO 0.00 -0.21 -0.24 0.42 -1.32 0.00 0.00 176.35 175.01 1xpn s THR 136 N 1.43 1.91 0.09 3.68 -4.23 -1.26 -1.55 115.64 115.72 1xpn s THR 136 Ca -0.04 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1xpn s THR 136 Cb -0.18 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1xpn s THR 136 CO -0.07 0.54 -0.10 -1.66 -0.54 0.00 0.00 174.62 172.79 1xpn s TRP 137 N -0.33 1.00 -0.24 3.99 -2.14 -0.44 -4.97 118.94 115.82 1xpn s TRP 137 Ca 0.02 -0.66 -0.12 0.00 2.66 0.00 0.00 56.10 58.00 1xpn s TRP 137 Cb -0.11 -0.56 -0.05 0.00 -3.10 0.00 0.00 33.47 29.65 1xpn s TRP 137 CO 0.01 -0.02 0.24 -1.54 -2.66 0.00 0.00 176.95 172.98 1xpn s SER 138 N -2.40 6.18 -0.14 -2.66 1.04 -1.26 -0.08 113.70 114.38 1xpn s SER 138 Ca 0.04 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1xpn s SER 138 Cb -0.03 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.93 1xpn s SER 138 CO -0.00 -0.01 -0.11 0.00 0.98 0.00 0.00 173.24 174.10 1xpn s ALA 139 N 1.35 2.71 -0.25 5.32 0.00 0.14 -4.92 121.76 126.11 1xpn s ALA 139 Ca 0.11 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 1xpn s ALA 139 Cb -0.14 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1xpn s ALA 139 CO 0.07 0.17 1.00 1.14 0.00 0.00 0.00 175.76 178.14 1xpn s GLN 140 N 0.47 4.19 0.00 0.00 -2.07 -1.26 -0.62 119.66 120.37 1xpn s GLN 140 Ca -0.08 1.20 0.00 0.00 -1.82 0.00 0.00 55.36 54.66 1xpn s GLN 140 Cb -0.15 -3.67 0.00 0.00 -1.09 0.00 0.00 33.01 28.10 1xpn s GLN 140 CO 0.04 -0.67 0.00 0.43 -1.32 0.00 0.00 175.29 173.77 1xpn n SER 141 N 6.38 0.00 -4.57 12.60 7.64 0.13 -4.97 113.62 130.83 1xpn n SER 141 Ca 0.11 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.61 1xpn n SER 141 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1xpn n SER 141 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xpn s ASP 142 N -0.38 6.18 0.00 6.43 2.15 -1.26 -3.89 116.67 125.90 1xpn s ASP 142 Ca 0.00 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.24 1xpn s ASP 142 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1xpn s ASP 142 CO 0.00 -1.83 0.00 0.61 -0.17 0.00 0.00 175.17 173.78 1xpn n GLY 143 N 6.16 2.56 3.21 2.66 0.00 -1.26 -4.98 105.19 113.53 1xpn n GLY 143 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.20 1.39 -0.45 1.61 2.20 -1.25 -5.11 119.74 117.93 1xpn s LYS 144 Ca 0.00 -0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 1xpn s LYS 144 Cb 0.00 -1.41 0.05 0.00 -1.51 0.00 0.00 37.83 34.96 1xpn s LYS 144 CO 0.00 0.37 0.36 0.99 -0.36 0.00 0.00 175.35 176.71 1xpn s THR 145 N -0.63 5.24 0.55 3.43 2.01 -1.26 0.19 115.64 125.17 1xpn s THR 145 Ca 0.07 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1xpn s THR 145 Cb -0.08 -4.05 0.04 0.00 0.01 0.00 0.00 72.50 68.43 1xpn s THR 145 CO 0.01 -0.48 0.76 0.27 -0.69 0.00 0.00 174.62 174.49 1xpn s ILE 146 N 1.65 2.63 -0.19 1.82 -4.36 0.20 -4.82 121.20 118.14 1xpn s ILE 146 Ca 0.04 -0.74 -0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1xpn s ILE 146 Cb -0.22 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.61 1xpn s ILE 146 CO 0.08 0.00 -0.15 -0.89 0.24 0.00 0.00 174.94 174.21 1xpn s THR 147 N -2.72 2.46 0.39 8.37 2.01 -1.26 0.28 115.64 125.17 1xpn s THR 147 Ca 0.58 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.85 1xpn s THR 147 Cb -0.09 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1xpn s THR 147 CO 0.38 0.51 0.44 -1.61 -0.69 0.00 0.00 174.62 173.64 1xpn s GLU 148 N 1.28 2.73 0.50 4.92 2.02 0.89 -4.72 118.70 126.32 1xpn s GLU 148 Ca 0.04 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1xpn s GLU 148 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1xpn s GLU 148 CO -0.09 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1xpn n GLY 149 N -1.63 -1.80 0.00 -1.39 0.00 -1.26 -1.32 105.19 97.79 1xpn n GLY 149 Ca 0.04 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.21 3.47 -0.02 0.00 -0.59 -1.10 105.19 107.16 1xpn n GLY 150 Ca 0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 5.04 -0.09 2.61 2.01 0.03 -1.27 115.64 119.97 1xpn s THR 151 Ca 0.00 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1xpn s THR 151 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1xpn s THR 151 CO 0.00 -0.52 -0.06 0.54 -0.69 0.00 0.00 174.62 173.90 1xpn s VAL 152 N 2.24 3.80 -0.04 3.82 0.11 0.27 -1.08 120.40 129.53 1xpn s VAL 152 Ca 0.13 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1xpn s VAL 152 Cb -0.18 -2.58 0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1xpn s VAL 152 CO 0.13 0.58 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.57 1xpn s THR 153 N -0.54 0.32 -0.12 5.04 2.01 -0.56 -1.16 115.64 120.62 1xpn s THR 153 Ca 0.08 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1xpn s THR 153 Cb -0.12 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1xpn s THR 153 CO 0.02 0.18 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.54 1xpn s LYS 154 N 1.04 3.31 -0.56 4.92 1.02 -0.32 -4.80 119.74 124.36 1xpn s LYS 154 Ca -0.09 -0.52 -0.24 0.00 0.02 0.00 0.00 55.97 55.14 1xpn s LYS 154 Cb -0.14 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1xpn s LYS 154 CO -0.01 0.42 0.92 -1.17 -0.92 0.00 0.00 175.35 174.59 1xpn s LEU 155 N -0.12 4.19 -0.30 3.17 2.96 -1.26 -0.85 118.68 126.46 1xpn s LEU 155 Ca 0.02 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.40 1xpn s LEU 155 Cb -0.13 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1xpn s LEU 155 CO 0.03 -1.22 0.14 -0.69 -1.32 0.00 0.00 176.35 173.28 1xpn s VAL 156 N 3.86 4.50 -0.61 1.68 1.01 0.76 -4.93 120.40 126.67 1xpn s VAL 156 Ca 0.29 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1xpn s VAL 156 Cb -0.13 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 33.06 1xpn s VAL 156 CO 0.18 0.09 0.77 -0.89 0.00 0.00 0.00 175.10 175.24 1xpn s THR 157 N 1.60 4.71 -0.85 3.92 2.01 -1.26 -0.54 115.64 125.23 1xpn s THR 157 Ca 0.04 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 60.97 1xpn s THR 157 Cb -0.17 -4.54 0.11 0.00 0.01 0.00 0.00 72.50 67.91 1xpn s THR 157 CO 0.06 -1.21 1.08 -0.69 -0.69 0.00 0.00 174.62 173.17 1xpn s VAL 158 N 2.98 4.61 -0.31 3.82 1.01 0.61 -4.80 120.40 128.32 1xpn s VAL 158 Ca 0.14 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1xpn s VAL 158 Cb -0.22 -4.75 0.54 0.00 0.00 0.00 0.00 36.38 31.95 1xpn s VAL 158 CO 0.07 -1.49 1.54 -0.24 0.00 0.00 0.00 175.10 174.98 1xpn n SER 159 N 6.89 2.82 -3.74 3.32 2.88 -1.26 -1.21 113.62 123.33 1xpn n SER 159 Ca 0.16 -3.69 -0.12 0.00 -1.33 0.00 0.00 58.87 53.89 1xpn n SER 159 Cb 0.48 -0.67 -0.11 0.00 -0.75 0.00 0.00 64.21 63.17 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xpn s GLY 160 N -2.27 -0.27 -1.14 0.46 0.00 -1.26 -5.07 107.32 97.78 1xpn s GLY 160 Ca 0.47 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 46.28 1xpn s GLY 160 CO 0.02 1.08 1.87 1.44 0.00 0.00 0.00 173.10 177.51 1xpn n SER 161 N 3.29 6.98 -3.93 1.64 7.64 -1.26 -4.74 113.62 123.23 1xpn n SER 161 Ca -0.16 -3.43 -0.10 0.00 1.01 0.00 0.00 58.87 56.20 1xpn n SER 161 Cb 0.57 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 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 -2.64 1.24 -0.26 1.43 -2.07 -1.26 -4.78 119.66 111.31 1xpn s GLN 162 Ca 0.40 -1.14 -0.28 0.00 -1.82 0.00 0.00 55.36 52.52 1xpn s GLN 162 Cb 0.14 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1xpn s GLN 162 CO -0.04 -0.47 2.06 -2.14 -1.32 0.00 0.00 175.29 173.37 1xpn s PRO 163 N -3.96 3.20 -0.14 9.60 0.02 -1.25 -3.55 135.00 138.93 1xpn s PRO 163 Ca 0.17 1.80 0.02 0.00 0.02 0.00 0.00 61.00 63.01 1xpn s PRO 163 Cb 0.02 -4.31 0.01 0.00 0.02 0.00 0.00 34.50 30.24 1xpn s PRO 163 CO 0.01 -2.02 -0.20 -0.65 -0.33 0.00 0.00 177.00 173.81 1xpn s GLN 164 N 6.09 3.08 -0.32 5.54 -0.21 0.55 -4.98 119.66 129.41 1xpn s GLN 164 Ca 0.93 -0.83 -0.17 0.00 0.02 0.00 0.00 55.36 55.31 1xpn s GLN 164 Cb -0.29 -2.48 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 1xpn s GLN 164 CO 0.35 0.00 0.45 0.21 -2.12 0.00 0.00 175.29 174.18 1xpn s LYS 165 N 0.79 3.77 -0.35 2.91 2.20 -1.25 -0.74 119.74 127.07 1xpn s LYS 165 Ca -0.07 -0.09 -0.10 0.00 -0.36 0.00 0.00 55.97 55.35 1xpn s LYS 165 Cb -0.16 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 1xpn s LYS 165 CO -0.01 -0.50 0.17 0.08 -0.36 0.00 0.00 175.35 174.73 1xpn s VAL 166 N 2.24 4.41 -0.37 4.02 1.01 0.13 -4.94 120.40 126.91 1xpn s VAL 166 Ca 0.17 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1xpn s VAL 166 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1xpn s VAL 166 CO 0.12 -0.13 1.15 -0.76 0.00 0.00 0.00 175.10 175.47 1xpn s LEU 167 N 1.54 3.81 -0.71 3.92 1.02 -1.26 -1.94 118.68 125.06 1xpn s LEU 167 Ca 0.02 0.87 -0.27 0.00 0.02 0.00 0.00 54.13 54.77 1xpn s LEU 167 Cb -0.19 -3.54 0.04 0.00 0.02 0.00 0.00 46.19 42.51 1xpn s LEU 167 CO 0.06 -1.06 1.23 -0.22 0.02 0.00 0.00 176.35 176.37 1xpn s LEU 168 N 4.11 3.35 0.00 1.79 2.96 0.75 -4.87 118.68 126.78 1xpn s LEU 168 Ca 0.49 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1xpn s LEU 168 Cb -0.11 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1xpn s LEU 168 CO 0.23 -1.75 0.00 1.07 -1.32 0.00 0.00 176.35 174.58 1xpn n THR 169 N 6.35 0.00 0.23 3.68 5.66 -1.26 -2.27 114.28 126.67 1xpn n THR 169 Ca 0.03 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.04 1xpn n THR 169 Cb 0.49 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.37 1xpn n THR 169 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91