#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn s SER 2 N 0.00 6.18 0.15 1.61 0.15 -1.26 -5.03 113.70 115.50 1xpn s SER 2 Ca 0.00 -1.24 0.01 0.00 0.70 0.00 0.00 55.95 55.42 1xpn s SER 2 Cb 0.00 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1xpn s SER 2 CO 0.00 -0.76 0.04 -1.20 1.20 0.00 0.00 173.24 172.51 1xpn n SER 3 N 5.57 1.40 -2.93 5.45 7.64 -1.26 -5.17 113.62 124.33 1xpn n SER 3 Ca -0.11 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1xpn n SER 3 Cb 0.44 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1xpn n SER 3 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xpn n HIS 4 N -0.35 0.00 -1.90 1.43 -0.00 -1.26 -4.86 115.22 108.28 1xpn n HIS 4 Ca -0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.46 1xpn n HIS 4 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.15 1xpn n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1xpn s HIS 5 N 0.05 1.60 -1.17 4.41 -0.00 -1.26 -4.86 115.29 114.06 1xpn s HIS 5 Ca 0.00 1.07 -0.19 0.00 -0.00 0.00 0.00 55.06 55.94 1xpn s HIS 5 Cb 0.00 -3.84 0.08 0.00 -0.00 0.00 0.00 32.58 28.82 1xpn s HIS 5 CO 0.00 -1.63 1.57 -3.38 -0.00 0.00 0.00 174.74 171.29 1xpn s HIS 6 N 11.72 2.80 -0.50 0.38 -3.43 -1.26 -4.64 115.29 120.36 1xpn s HIS 6 Ca 0.77 -1.41 0.06 0.00 -0.80 0.00 0.00 55.06 53.69 1xpn s HIS 6 Cb -0.08 -4.66 0.21 0.00 -1.43 0.00 0.00 32.58 26.63 1xpn s HIS 6 CO 0.03 -1.78 0.81 1.58 -2.00 0.00 0.00 174.74 173.38 1xpn n HIS 7 N 8.13 -3.54 -4.90 0.38 -0.00 -1.26 -5.15 115.22 108.88 1xpn n HIS 7 Ca 0.41 -1.51 -0.33 0.00 -0.00 0.00 0.00 57.72 56.29 1xpn n HIS 7 Cb 0.48 1.51 -0.14 0.00 -0.00 0.00 0.00 29.99 31.84 1xpn n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1xpn s HIS 8 N 0.79 2.71 0.03 1.57 -0.00 -1.26 -5.09 115.29 114.04 1xpn s HIS 8 Ca 0.31 -0.45 -0.30 0.00 -0.00 0.00 0.00 55.06 54.61 1xpn s HIS 8 Cb 0.11 -1.71 -0.07 0.00 -0.00 0.00 0.00 32.58 30.90 1xpn s HIS 8 CO -0.14 -0.04 1.59 -3.38 -0.00 0.00 0.00 174.74 172.77 1xpn s HIS 9 N -0.19 2.47 0.07 0.38 -3.43 -1.26 -4.72 115.29 108.60 1xpn s HIS 9 Ca -0.00 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 1xpn s HIS 9 Cb -0.13 -3.88 0.00 0.00 -1.43 0.00 0.00 32.58 27.14 1xpn s HIS 9 CO 0.03 -3.49 0.00 0.45 -2.00 0.00 0.00 174.74 169.73 1xpn n SER 10 N 5.77 -5.56 -4.58 7.38 2.88 -1.26 -4.70 113.62 113.55 1xpn n SER 10 Ca 0.15 0.34 -0.38 0.00 -1.33 0.00 0.00 58.87 57.65 1xpn n SER 10 Cb 0.42 -0.94 -0.11 0.00 -0.75 0.00 0.00 64.21 62.82 1xpn n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xpn s SER 11 N -4.60 5.93 -0.62 -3.46 0.15 -1.26 -4.98 113.70 104.86 1xpn s SER 11 Ca 0.00 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.65 1xpn s SER 11 Cb 0.00 -2.10 0.40 0.00 -1.71 0.00 0.00 66.02 62.61 1xpn s SER 11 CO 0.00 -0.03 1.59 0.61 1.20 0.00 0.00 173.24 176.61 1xpn n GLY 12 N 4.92 5.84 3.45 9.45 0.00 -1.26 -4.92 105.19 122.67 1xpn n GLY 12 Ca -0.14 -2.59 -0.44 0.00 0.00 0.00 0.00 46.02 42.84 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 -3.80 5.16 -0.33 0.99 1.43 -1.26 -4.93 118.68 115.94 1xpn s LEU 13 Ca 0.52 -2.71 0.03 0.00 -1.03 0.00 0.00 54.13 50.94 1xpn s LEU 13 Cb 0.43 -2.39 0.10 0.00 0.03 0.00 0.00 46.19 44.36 1xpn s LEU 13 CO -0.24 -0.82 0.05 0.68 0.23 0.00 0.00 176.35 176.25 1xpn s VAL 14 N 1.77 2.01 -0.48 -1.59 -7.23 -1.26 -5.08 120.40 108.53 1xpn s VAL 14 Ca 0.38 -2.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 1xpn s VAL 14 Cb -0.04 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1xpn s VAL 14 CO -0.04 -0.59 1.57 -2.84 -0.31 0.00 0.00 175.10 172.89 1xpn s PRO 15 N 1.05 3.27 0.03 4.82 0.02 -1.26 -4.38 135.00 138.54 1xpn s PRO 15 Ca 0.10 0.80 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1xpn s PRO 15 Cb -0.19 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.18 1xpn s PRO 15 CO -0.11 -1.96 0.00 -2.13 -0.33 0.00 0.00 177.00 172.47 1xpn n ARG 16 N 8.55 0.00 -2.48 5.54 0.63 -1.26 -5.06 116.66 122.58 1xpn n ARG 16 Ca 0.17 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.08 1xpn n ARG 16 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1xpn n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xpn n GLY 17 N -1.41 0.75 0.13 5.14 0.00 -1.26 -4.96 105.19 103.58 1xpn n GLY 17 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.17 0.19 -3.74 1.61 4.64 -1.97 -3.50 113.55 110.62 1xpn h SER 18 Ca -0.04 -0.14 0.19 0.00 -0.47 0.00 0.00 61.79 61.33 1xpn h SER 18 Cb 1.03 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.98 1xpn h SER 18 CO 0.04 0.89 -0.51 1.41 -0.87 0.00 0.00 176.83 177.80 1xpn n HIS 19 N -3.71 -1.95 -3.26 4.77 8.25 -1.26 -4.64 115.22 113.42 1xpn n HIS 19 Ca -0.03 1.04 -0.46 0.00 -0.26 0.00 0.00 57.72 58.01 1xpn n HIS 19 Cb 0.74 -1.78 -0.01 0.00 1.12 0.00 0.00 29.99 30.06 1xpn n HIS 19 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1xpn s MET 20 N -2.85 3.84 -0.30 -0.41 1.75 -1.26 -5.01 119.30 115.06 1xpn s MET 20 Ca 0.00 -2.64 -0.10 0.00 -1.25 0.00 0.00 55.69 51.70 1xpn s MET 20 Cb 0.00 -4.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.08 1xpn s MET 20 CO 0.00 -1.36 0.15 0.00 -0.65 0.00 0.00 175.02 173.16 1xpn s ALA 21 N 0.08 3.32 0.00 4.11 0.00 -1.26 -4.72 121.76 123.29 1xpn s ALA 21 Ca 0.26 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1xpn s ALA 21 Cb -0.09 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1xpn s ALA 21 CO -0.08 -0.78 0.00 0.45 0.00 0.00 0.00 175.76 175.35 1xpn n SER 22 N 5.00 0.00 -4.04 0.00 2.88 -1.26 -5.16 113.62 111.04 1xpn n SER 22 Ca -0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 1xpn n SER 22 Cb 0.50 0.19 -0.11 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.81 0.61 0.52 -3.46 4.22 -1.26 -5.02 114.94 108.72 1xpn s ASN 23 Ca 0.00 -0.62 0.34 0.00 -2.14 0.00 0.00 52.86 50.45 1xpn s ASN 23 Cb 0.00 0.08 1.63 0.00 1.28 0.00 0.00 41.25 44.24 1xpn s ASN 23 CO 0.00 -0.30 2.03 1.55 -2.04 0.00 0.00 177.10 178.33 1xpn h PRO 24 N 4.28 0.00 0.00 3.55 0.13 -2.01 -3.46 132.00 134.49 1xpn h PRO 24 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xpn h PRO 24 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xpn h PRO 24 CO 0.45 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.51 1xpn n ASN 25 N -2.85 0.00 -4.56 1.44 2.85 -1.26 -4.84 115.26 106.04 1xpn n ASN 25 Ca -0.01 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1xpn n ASN 25 Cb 0.19 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.18 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xpn s ASP 26 N 0.00 6.41 -0.03 1.20 2.15 -1.26 -4.90 116.67 120.23 1xpn s ASP 26 Ca 0.00 -1.25 0.01 0.00 0.43 0.00 0.00 52.55 51.74 1xpn s ASP 26 Cb 0.00 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1xpn s ASP 26 CO 0.00 -1.60 -0.02 -0.76 -0.17 0.00 0.00 175.17 172.62 1xpn s LEU 27 N 5.24 1.29 -0.65 -1.34 1.43 -1.26 -5.01 118.68 118.38 1xpn s LEU 27 Ca 0.45 -0.07 -0.39 0.00 -1.03 0.00 0.00 54.13 53.08 1xpn s LEU 27 Cb -0.02 -0.32 -0.20 0.00 0.03 0.00 0.00 46.19 45.69 1xpn s LEU 27 CO -0.05 -0.07 2.32 -2.65 0.23 0.00 0.00 176.35 176.13 1xpn n PRO 28 N 4.02 0.05 0.03 1.29 -0.02 -1.26 -4.82 135.00 134.28 1xpn n PRO 28 Ca -0.26 0.01 -0.22 0.00 -2.02 0.00 0.00 63.50 61.02 1xpn n PRO 28 Cb 0.51 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 1xpn n PRO 28 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xpn h ASP 29 N 10.18 0.45 0.06 2.55 1.82 -1.98 -3.40 116.42 126.10 1xpn h ASP 29 Ca -0.09 -0.88 -0.00 0.00 -0.39 0.00 0.00 57.03 55.66 1xpn h ASP 29 Cb 1.38 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1xpn h ASP 29 CO 1.18 1.63 -0.03 -0.26 -1.61 0.00 0.00 179.24 180.16 1xpn h PHE 30 N -0.22 -0.07 -2.66 0.28 0.04 -2.02 -3.44 116.94 108.86 1xpn h PHE 30 Ca -0.29 -0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.94 1xpn h PHE 30 Cb 1.83 0.02 0.01 0.00 2.20 0.00 0.00 35.95 40.01 1xpn h PHE 30 CO 0.13 0.54 1.03 -2.14 -0.60 0.00 0.00 178.31 177.26 1xpn s PRO 31 N -2.83 4.20 0.00 1.51 0.02 -1.26 -4.53 135.00 132.11 1xpn s PRO 31 Ca -0.14 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1xpn s PRO 31 Cb -0.01 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.77 1xpn s PRO 31 CO 0.53 -0.77 0.00 -1.91 -0.33 0.00 0.00 177.00 174.52 1xpn n GLU 32 N 6.15 0.00 0.03 5.54 0.00 -1.26 -4.53 120.64 126.57 1xpn n GLU 32 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.42 1xpn n GLU 32 Cb 0.41 0.00 0.40 0.00 0.00 0.00 0.00 31.44 32.26 1xpn n GLU 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1xpn n HIS 33 N -1.87 0.20 0.26 4.31 -0.00 -1.26 -2.42 115.22 114.44 1xpn n HIS 33 Ca 0.00 0.07 0.13 0.00 0.46 0.00 0.00 57.72 58.38 1xpn n HIS 33 Cb 0.00 -0.62 0.79 0.00 -0.12 0.00 0.00 29.99 30.04 1xpn n HIS 33 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1xpn h GLU 34 N 0.00 0.00 -0.01 1.57 3.07 -1.94 -0.92 114.58 116.34 1xpn h GLU 34 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1xpn h GLU 34 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1xpn h GLU 34 CO 0.00 0.00 -0.38 1.88 -1.40 0.00 0.00 179.01 179.11 1xpn h TYR 35 N 0.00 0.02 0.00 4.33 -1.99 -1.91 -2.09 116.97 115.33 1xpn h TYR 35 Ca 0.02 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1xpn h TYR 35 Cb 0.11 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1xpn h TYR 35 CO 0.00 0.40 -0.17 0.00 -0.00 0.00 0.00 178.16 178.39 1xpn n ALA 36 N -2.47 2.51 -1.16 3.88 0.00 -0.37 -3.47 120.51 119.44 1xpn n ALA 36 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1xpn n ALA 36 Cb 0.42 -1.38 0.25 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.72 4.93 -1.83 0.00 0.00 -0.79 -4.98 120.51 116.12 1xpn n ALA 37 Ca 0.05 -2.65 -0.34 0.00 0.00 0.00 0.00 53.44 50.51 1xpn n ALA 37 Cb 0.41 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.14 4.37 -0.07 0.00 -4.23 -1.22 -5.04 115.64 106.31 1xpn s THR 38 Ca 0.55 1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 62.55 1xpn s THR 38 Cb 0.45 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1xpn s THR 38 CO 0.11 -0.20 0.12 -1.10 -0.54 0.00 0.00 174.62 173.00 1xpn s GLN 39 N -2.91 3.30 0.00 3.99 -1.52 -1.26 -4.97 119.66 116.29 1xpn s GLN 39 Ca 0.59 -0.27 0.18 0.00 -1.95 0.00 0.00 55.36 53.91 1xpn s GLN 39 Cb -0.11 -3.05 -0.05 0.00 -0.22 0.00 0.00 33.01 29.58 1xpn s GLN 39 CO 0.16 0.72 0.89 1.04 -0.25 0.00 0.00 175.29 177.85 1xpn n GLN 40 N 1.66 1.45 -4.31 2.91 3.00 -1.26 -4.79 117.38 116.04 1xpn n GLN 40 Ca -0.17 -0.66 -0.35 0.00 -0.01 0.00 0.00 57.00 55.81 1xpn n GLN 40 Cb 0.54 -1.34 -0.10 0.00 0.00 0.00 0.00 30.24 29.34 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xpn s VAL 41 N -2.24 4.38 -0.29 5.09 1.01 -1.26 -4.94 120.40 122.15 1xpn s VAL 41 Ca 0.13 -0.21 -0.37 0.00 0.00 0.00 0.00 61.98 61.52 1xpn s VAL 41 Cb 0.14 -2.87 0.16 0.00 0.00 0.00 0.00 36.38 33.82 1xpn s VAL 41 CO 0.53 0.58 1.38 -0.83 0.00 0.00 0.00 175.10 176.76 1xpn s GLY 42 N -0.65 -0.16 0.00 4.51 0.00 -1.25 -4.05 107.32 105.72 1xpn s GLY 42 Ca 0.11 2.03 0.06 0.00 0.00 0.00 0.00 44.72 46.92 1xpn s GLY 42 CO 0.02 0.70 0.62 0.61 0.00 0.00 0.00 173.10 175.05 1xpn n GLY 43 N 0.05 -0.61 3.73 0.20 0.00 -1.03 -3.48 105.19 104.05 1xpn n GLY 43 Ca 0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1xpn n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 44 N 0.49 1.42 3.13 -0.02 0.00 0.65 -4.64 105.19 106.21 1xpn n GLY 44 Ca 0.03 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 1xpn n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xpn s VAL 45 N 0.60 2.09 -0.21 1.61 1.01 -1.26 -2.41 120.40 121.83 1xpn s VAL 45 Ca 0.70 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1xpn s VAL 45 Cb -0.51 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1xpn s VAL 45 CO 0.40 0.54 -0.00 -0.63 0.00 0.00 0.00 175.10 175.41 1xpn s ILE 46 N 1.27 3.87 -0.36 2.22 1.01 0.75 0.24 121.20 130.20 1xpn s ILE 46 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1xpn s ILE 46 Cb -0.13 -2.76 0.08 0.00 0.01 0.00 0.00 42.46 39.66 1xpn s ILE 46 CO -0.12 0.42 0.11 0.20 0.00 0.00 0.00 174.94 175.55 1xpn s ASN 47 N 1.18 5.12 -0.04 3.58 0.02 0.38 -0.87 114.94 124.30 1xpn s ASN 47 Ca 0.03 -1.65 0.04 0.00 -1.02 0.00 0.00 52.86 50.26 1xpn s ASN 47 Cb -0.14 -1.79 -0.03 0.00 0.02 0.00 0.00 41.25 39.31 1xpn s ASN 47 CO 0.01 -0.41 -0.15 -0.83 0.02 0.00 0.00 177.10 175.74 1xpn s GLY 48 N 1.54 1.53 -0.25 0.66 0.00 -0.04 -0.40 107.32 110.36 1xpn s GLY 48 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 1xpn s GLY 48 CO -0.02 -0.79 -0.07 -0.35 0.00 0.00 0.00 173.10 171.87 1xpn s ASP 49 N -0.76 4.30 -0.34 1.64 2.15 -0.04 -1.41 116.67 122.20 1xpn s ASP 49 Ca 0.12 -0.92 -0.18 0.00 0.43 0.00 0.00 52.55 51.99 1xpn s ASP 49 Cb -0.11 -1.65 -0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1xpn s ASP 49 CO 0.01 -0.13 0.53 -0.22 -0.17 0.00 0.00 175.17 175.19 1xpn s LEU 50 N 1.30 4.31 -0.30 -1.34 2.96 0.76 -1.12 118.68 125.26 1xpn s LEU 50 Ca -0.01 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1xpn s LEU 50 Cb -0.17 -2.62 0.14 0.00 0.50 0.00 0.00 46.19 44.04 1xpn s LEU 50 CO -0.05 -0.48 0.63 -0.72 -1.32 0.00 0.00 176.35 174.41 1xpn s TYR 51 N 2.43 -1.36 -0.26 5.38 1.13 -0.65 -4.30 117.35 119.71 1xpn s TYR 51 Ca 0.20 2.21 -0.12 0.00 -1.41 0.00 0.00 57.07 57.95 1xpn s TYR 51 Cb -0.15 0.75 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 1xpn s TYR 51 CO 0.13 -0.69 0.22 -0.51 -2.51 0.00 0.00 175.55 172.19 1xpn s LEU 52 N 2.88 4.07 -0.05 -3.49 1.43 0.14 -3.95 118.68 119.71 1xpn s LEU 52 Ca -0.02 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1xpn s LEU 52 Cb -0.12 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1xpn s LEU 52 CO -0.19 -0.03 1.24 0.42 0.23 0.00 0.00 176.35 178.02 1xpn s THR 53 N 1.52 4.15 0.82 5.49 -4.23 -1.26 -0.48 115.64 121.64 1xpn s THR 53 Ca 0.09 1.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.97 1xpn s THR 53 Cb -0.15 -3.95 0.09 0.00 1.34 0.00 0.00 72.50 69.83 1xpn s THR 53 CO 0.08 -0.00 1.18 -0.44 -0.54 0.00 0.00 174.62 174.90 1xpn s SER 54 N 1.56 4.37 0.51 3.99 0.01 -1.26 -4.65 113.70 118.23 1xpn s SER 54 Ca 0.57 0.67 0.30 0.00 1.31 0.00 0.00 55.95 58.80 1xpn s SER 54 Cb -0.26 -1.12 1.24 0.00 0.21 0.00 0.00 66.02 66.09 1xpn s SER 54 CO 0.23 -1.97 1.94 0.00 0.41 0.00 0.00 173.24 173.85 1xpn h ALA 55 N -1.07 1.03 -0.00 1.44 0.00 -2.02 -1.06 119.26 117.57 1xpn h ALA 55 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xpn h ALA 55 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xpn h ALA 55 CO 0.62 0.11 -0.36 -1.13 0.00 0.00 0.00 179.25 178.49 1xpn n SER 56 N -3.24 0.44 0.00 0.00 3.41 -1.26 -4.92 113.62 108.05 1xpn n SER 56 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1xpn n SER 56 Cb 0.34 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 57 N 1.47 0.57 0.12 5.00 0.00 -0.40 -4.94 105.19 107.01 1xpn n GLY 57 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn h ALA 58 N 0.00 0.30 -0.68 4.61 0.00 -1.92 -3.44 119.26 118.13 1xpn h ALA 58 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xpn h ALA 58 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xpn h ALA 58 CO 0.00 -0.20 -0.10 -0.89 0.00 0.00 0.00 179.25 178.05 1xpn n ILE 59 N -4.90 -1.97 -4.44 0.00 5.41 -1.26 -4.89 119.36 107.31 1xpn n ILE 59 Ca -0.03 0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.71 1xpn n ILE 59 Cb 0.04 -1.56 -0.16 0.00 -0.71 0.00 0.00 39.64 37.25 1xpn n ILE 59 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1xpn s GLN 60 N -3.52 2.87 0.00 0.38 -1.52 0.37 -4.91 119.66 113.33 1xpn s GLN 60 Ca 0.00 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 1xpn s GLN 60 Cb 0.00 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1xpn s GLN 60 CO 0.00 -0.09 0.41 1.63 -0.25 0.00 0.00 175.29 176.98 1xpn n LYS 61 N 4.30 0.00 0.00 2.91 4.76 -1.26 0.24 118.16 129.11 1xpn n LYS 61 Ca -0.20 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1xpn n LYS 61 Cb 0.51 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 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 0.29 -0.10 3.52 0.72 0.00 -1.26 -3.51 105.19 104.85 1xpn n GLY 62 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.33 -0.57 2.61 -4.23 -1.26 -4.08 115.64 112.44 1xpn s THR 63 Ca 0.00 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1xpn s THR 63 Cb 0.00 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.26 1xpn s THR 63 CO 0.00 -1.19 0.56 -3.20 -0.54 0.00 0.00 174.62 170.25 1xpn n ASN 64 N 7.63 -6.78 -4.19 3.99 2.85 0.53 -4.97 115.26 114.32 1xpn n ASN 64 Ca 0.02 0.01 -0.19 0.00 -0.11 0.00 0.00 54.58 54.31 1xpn n ASN 64 Cb 0.47 -4.55 -0.12 0.00 1.24 0.00 0.00 39.78 36.82 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 -2.91 1.21 -0.43 -0.44 2.01 -1.23 -4.86 115.64 109.00 1xpn s THR 65 Ca 0.03 -1.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 1xpn s THR 65 Cb -0.01 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.34 1xpn s THR 65 CO 0.62 -0.23 1.14 -0.54 -0.69 0.00 0.00 174.62 174.92 1xpn s LYS 66 N -1.87 3.81 -0.48 4.92 1.02 -1.26 -1.43 119.74 124.45 1xpn s LYS 66 Ca 0.00 0.73 -0.10 0.00 0.02 0.00 0.00 55.97 56.62 1xpn s LYS 66 Cb -0.09 -3.87 0.12 0.00 -0.52 0.00 0.00 37.83 33.47 1xpn s LYS 66 CO 0.03 -1.26 0.37 0.08 -0.92 0.00 0.00 175.35 173.65 1xpn s VAL 67 N 4.29 4.37 -0.28 3.17 1.01 0.09 -2.55 120.40 130.49 1xpn s VAL 67 Ca 0.48 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 1xpn s VAL 67 Cb -0.09 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1xpn s VAL 67 CO 0.27 -0.79 0.48 0.00 0.00 0.00 0.00 175.10 175.06 1xpn s ALA 68 N 1.40 3.57 -0.34 5.51 0.00 0.73 -0.19 121.76 132.43 1xpn s ALA 68 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1xpn s ALA 68 Cb -0.27 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1xpn s ALA 68 CO -0.00 -0.80 0.14 -1.17 0.00 0.00 0.00 175.76 173.93 1xpn s LEU 69 N 2.27 4.37 0.04 0.00 2.96 0.58 -0.15 118.68 128.76 1xpn s LEU 69 Ca 0.19 -0.98 0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1xpn s LEU 69 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1xpn s LEU 69 CO 0.10 -0.32 -0.14 -1.83 -1.32 0.00 0.00 176.35 172.84 1xpn s GLU 70 N 1.48 0.91 0.37 1.98 -1.05 -0.76 -1.82 118.70 119.82 1xpn s GLU 70 Ca 0.01 -0.78 -0.27 0.00 -0.15 0.00 0.00 54.97 53.77 1xpn s GLU 70 Cb -0.19 -0.92 -0.09 0.00 -0.44 0.00 0.00 34.13 32.49 1xpn s GLU 70 CO 0.04 0.22 1.29 -2.14 0.95 0.00 0.00 175.26 175.63 1xpn s PRO 71 N -1.22 4.18 -0.70 -4.83 0.02 -1.26 -0.01 135.00 131.18 1xpn s PRO 71 Ca 0.01 2.15 -0.27 0.00 0.02 0.00 0.00 61.00 62.91 1xpn s PRO 71 Cb -0.08 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.54 1xpn s PRO 71 CO 0.01 -0.32 1.45 0.00 -0.33 0.00 0.00 177.00 177.82 1xpn s ALA 72 N -1.21 2.58 0.39 -1.55 0.00 0.16 -4.75 121.76 117.37 1xpn s ALA 72 Ca 0.53 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1xpn s ALA 72 Cb -0.38 -4.27 -0.01 0.00 0.00 0.00 0.00 23.12 18.46 1xpn s ALA 72 CO 0.50 -3.47 0.45 0.95 0.00 0.00 0.00 175.76 174.19 1xpn s THR 73 N 6.72 3.21 0.24 0.00 -4.23 -1.26 -4.89 115.64 115.43 1xpn s THR 73 Ca 0.45 -1.15 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 1xpn s THR 73 Cb -0.09 -3.11 -0.07 0.00 1.34 0.00 0.00 72.50 70.56 1xpn s THR 73 CO 0.17 -0.06 1.53 0.28 -0.54 0.00 0.00 174.62 176.00 1xpn h SER 74 N 0.89 0.01 -0.40 3.99 0.02 -1.94 -2.31 113.55 113.80 1xpn h SER 74 Ca -0.42 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 1xpn h SER 74 Cb 1.27 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1xpn h SER 74 CO 0.52 0.71 -0.18 0.22 -1.14 0.00 0.00 176.83 176.96 1xpn h TYR 75 N 0.00 0.95 -0.00 3.45 3.20 -1.92 -3.02 116.97 119.63 1xpn h TYR 75 Ca -0.01 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1xpn h TYR 75 Cb 1.26 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1xpn h TYR 75 CO 0.00 0.99 -0.24 -0.12 -1.64 0.00 0.00 178.16 177.15 1xpn n MET 76 N -4.25 0.37 -0.31 1.82 1.56 -1.21 -3.84 117.12 111.27 1xpn n MET 76 Ca -0.01 -0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.25 1xpn n MET 76 Cb 0.42 -1.50 0.13 0.00 2.15 0.00 0.00 33.22 34.43 1xpn n MET 76 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1xpn h LYS 77 N 0.40 0.95 0.00 2.12 3.64 -1.27 0.32 116.57 122.72 1xpn h LYS 77 Ca 0.00 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 1xpn h LYS 77 Cb 0.46 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1xpn h LYS 77 CO 0.00 0.63 -0.87 0.00 -2.27 0.00 0.00 179.45 176.94 1xpn h ALA 78 N 1.39 0.52 -0.14 5.00 0.00 -1.72 -2.82 119.26 121.49 1xpn h ALA 78 Ca 0.37 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1xpn h ALA 78 Cb 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xpn h ALA 78 CO -0.16 0.91 -0.14 -0.92 0.00 0.00 0.00 179.25 178.94 1xpn h TYR 79 N 0.11 0.40 0.00 0.00 5.03 -1.56 -2.89 116.97 118.07 1xpn h TYR 79 Ca -0.04 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1xpn h TYR 79 Cb 1.50 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.69 1xpn h TYR 79 CO 0.03 0.73 0.00 0.66 -1.32 0.00 0.00 178.16 178.26 1xpn n TYR 80 N -4.57 0.00 0.15 -3.82 4.02 0.04 -1.41 117.16 111.56 1xpn n TYR 80 Ca -0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.85 1xpn n TYR 80 Cb 0.35 -0.49 0.14 0.00 -0.02 0.00 0.00 39.34 39.32 1xpn n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xpn h ALA 81 N 2.70 0.78 0.00 -0.72 0.00 -1.28 -3.26 119.26 117.48 1xpn h ALA 81 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1xpn h ALA 81 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xpn h ALA 81 CO 0.00 0.65 -0.35 0.87 0.00 0.00 0.00 179.25 180.42 1xpn h LYS 82 N 0.00 0.00 0.00 0.00 1.57 -1.16 -3.47 116.57 113.51 1xpn h LYS 82 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xpn h LYS 82 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xpn h LYS 82 CO 0.07 0.42 0.00 1.19 -0.57 0.00 0.00 179.45 180.56 1xpn n PHE 83 N -4.64 0.00 0.00 -1.35 3.01 -0.79 -4.97 117.46 108.72 1xpn n PHE 83 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1xpn n PHE 83 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 4.18 2.63 3.55 1.37 0.00 -1.23 -4.17 105.19 111.52 1xpn n GLY 84 Ca 0.00 0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 5.89 -0.27 1.61 3.04 -1.26 -4.42 114.94 115.53 1xpn s ASN 85 Ca 0.00 -0.50 0.01 0.00 0.04 0.00 0.00 52.86 52.41 1xpn s ASN 85 Cb 0.00 -2.55 0.08 0.00 -1.54 0.00 0.00 41.25 37.23 1xpn s ASN 85 CO 0.00 -2.01 -0.01 -0.22 -3.04 0.00 0.00 177.10 171.81 1xpn s LEU 86 N 6.94 3.08 0.88 3.21 0.20 0.13 -4.98 118.68 128.14 1xpn s LEU 86 Ca 0.50 -1.48 -0.11 0.00 0.69 0.00 0.00 54.13 53.72 1xpn s LEU 86 Cb -0.07 -1.26 0.12 0.00 -0.43 0.00 0.00 46.19 44.55 1xpn s LEU 86 CO 0.09 -0.29 1.10 -0.62 -0.29 0.00 0.00 176.35 176.33 1xpn s ASP 87 N 1.29 3.49 0.59 3.68 -1.08 -1.26 0.22 116.67 123.60 1xpn s ASP 87 Ca 0.00 1.71 0.29 0.00 -0.52 0.00 0.00 52.55 54.04 1xpn s ASP 87 Cb -0.19 -2.35 1.81 0.00 -1.46 0.00 0.00 42.92 40.73 1xpn s ASP 87 CO -0.09 -2.66 2.25 0.00 0.52 0.00 0.00 175.17 175.18 1xpn h ALA 88 N -1.56 1.55 0.00 3.66 0.00 -1.21 0.21 119.26 121.91 1xpn h ALA 88 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xpn h ALA 88 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xpn h ALA 88 CO 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1xpn n ALA 89 N -2.33 2.20 -0.19 0.00 0.00 -1.26 -2.77 120.51 116.16 1xpn n ALA 89 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1xpn n ALA 89 Cb 0.10 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.36 1xpn n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpn n LYS 90 N -1.94 2.66 -2.08 0.00 5.02 0.72 -4.96 118.16 117.59 1xpn n LYS 90 Ca 0.06 -2.43 -0.43 0.00 -2.02 0.00 0.00 58.31 53.48 1xpn n LYS 90 Cb 0.36 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xpn s ARG 91 N -1.08 3.58 -0.16 1.97 6.06 -1.09 -4.85 118.95 123.36 1xpn s ARG 91 Ca 0.41 1.51 0.01 0.00 -2.50 0.00 0.00 55.73 55.15 1xpn s ARG 91 Cb 0.22 -4.11 0.01 0.00 0.06 0.00 0.00 34.95 31.13 1xpn s ARG 91 CO 0.29 -1.56 -0.18 0.34 -2.50 0.00 0.00 175.30 171.69 1xpn s ASP 92 N 5.04 3.37 0.00 -2.12 -1.08 -1.26 -5.01 116.67 115.61 1xpn s ASP 92 Ca 0.75 -0.56 0.21 0.00 -0.52 0.00 0.00 52.55 52.42 1xpn s ASP 92 Cb -0.23 -1.51 0.60 0.00 -1.46 0.00 0.00 42.92 40.31 1xpn s ASP 92 CO 0.32 0.05 1.47 -0.81 0.52 0.00 0.00 175.17 176.72 1xpn n PRO 93 N 4.31 2.03 -0.12 4.34 -0.04 -1.26 -4.27 135.00 139.99 1xpn n PRO 93 Ca -0.20 -1.55 -0.17 0.00 -0.04 0.00 0.00 63.50 61.54 1xpn n PRO 93 Cb 0.51 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.78 1.86 -4.58 3.54 2.03 -1.26 -4.86 116.55 114.06 1xpn n ASP 94 Ca 0.17 -0.12 -0.41 0.00 0.52 0.00 0.00 54.79 54.95 1xpn n ASP 94 Cb 0.43 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 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 -2.50 3.28 0.15 5.18 1.01 -1.26 -4.96 120.40 121.30 1xpn s VAL 95 Ca -0.32 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1xpn s VAL 95 Cb 0.08 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1xpn s VAL 95 CO 0.60 -0.35 0.78 -1.10 0.00 0.00 0.00 175.10 175.04 1xpn s GLN 96 N 6.42 4.56 -0.20 2.72 -0.21 -1.26 -5.01 119.66 126.69 1xpn s GLN 96 Ca 0.85 1.15 -0.29 0.00 0.02 0.00 0.00 55.36 57.09 1xpn s GLN 96 Cb -0.22 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1xpn s GLN 96 CO 0.31 0.53 1.79 -2.14 -2.12 0.00 0.00 175.29 173.66 1xpn s PRO 97 N -0.99 3.68 0.91 2.91 0.02 -1.26 -4.98 135.00 135.28 1xpn s PRO 97 Ca 0.36 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.12 1xpn s PRO 97 Cb -0.23 -4.13 0.14 0.00 0.02 0.00 0.00 34.50 30.30 1xpn s PRO 97 CO 0.26 -1.45 1.15 -2.14 -0.33 0.00 0.00 177.00 174.48 1xpn s PRO 98 N 5.05 1.06 -0.30 5.54 0.02 -1.26 -4.88 135.00 140.23 1xpn s PRO 98 Ca 0.80 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 63.07 1xpn s PRO 98 Cb -0.29 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 1xpn s PRO 98 CO 0.32 -2.60 1.81 0.08 -0.33 0.00 0.00 177.00 176.28 1xpn s VAL 99 N -2.66 3.46 0.12 3.83 1.01 -1.26 -4.95 120.40 119.95 1xpn s VAL 99 Ca 0.67 0.48 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1xpn s VAL 99 Cb -0.23 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1xpn s VAL 99 CO 0.58 -0.35 0.03 0.00 0.00 0.00 0.00 175.10 175.35 1xpn n LEU 100 N 10.07 0.00 -4.71 3.92 -0.00 -1.26 -5.10 117.00 119.91 1xpn n LEU 100 Ca 0.23 -0.88 -0.42 0.00 -0.00 0.00 0.00 56.01 54.94 1xpn n LEU 100 Cb 0.46 0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 44.09 1xpn n LEU 100 CO 0.68 -0.13 1.25 -0.62 -0.00 0.00 0.00 177.39 178.57 1xpn s ASP 101 N -1.72 6.57 0.31 1.45 -1.08 -1.26 -4.91 116.67 116.03 1xpn s ASP 101 Ca 0.04 2.62 0.25 0.00 -0.52 0.00 0.00 52.55 54.94 1xpn s ASP 101 Cb 0.00 -2.59 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 1xpn s ASP 101 CO 0.03 -0.84 1.72 1.55 0.52 0.00 0.00 175.17 178.15 1xpn h PRO 102 N 7.02 0.00 0.00 4.34 0.13 -2.02 -3.29 132.00 138.18 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xpn h PRO 102 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 1xpn h ARG 103 N 0.00 0.00 0.00 0.86 3.08 -2.02 -2.14 114.38 114.15 1xpn h ARG 103 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xpn h ARG 103 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1xpn h ARG 103 CO 0.00 0.00 -0.03 0.07 -1.07 0.00 0.00 179.97 178.94 1xpn h ARG 104 N 0.00 0.00 -0.02 0.04 0.11 -1.98 0.51 114.38 113.04 1xpn h ARG 104 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1xpn h ARG 104 Cb 0.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 1xpn h ARG 104 CO 0.00 0.03 -0.05 0.00 0.10 0.00 0.00 179.97 180.05 1xpn h ALA 105 N 1.97 1.88 0.01 0.08 0.00 -1.68 0.18 119.26 121.70 1xpn h ALA 105 Ca -0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1xpn h ALA 105 Cb 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1xpn h ALA 105 CO 0.00 0.09 -2.13 2.41 0.00 0.00 0.00 179.25 179.63 1xpn n THR 106 N -4.46 1.50 0.01 0.00 -1.04 0.01 -4.46 114.28 105.84 1xpn n THR 106 Ca -0.02 -0.81 -0.19 0.00 -2.04 0.00 0.00 64.05 60.99 1xpn n THR 106 Cb 0.14 -0.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.75 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 0.00 0.91 -2.90 -1.42 0.05 -0.76 -3.43 116.97 109.41 1xpn h TYR 107 Ca -0.45 -0.47 -0.57 0.00 0.05 0.00 0.00 58.73 57.30 1xpn h TYR 107 Cb 2.13 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 39.72 1xpn h TYR 107 CO 0.01 1.29 0.94 0.08 -1.05 0.00 0.00 178.16 179.43 1xpn s VAL 108 N -3.40 4.17 -0.15 -2.88 1.01 0.59 -4.91 120.40 114.83 1xpn s VAL 108 Ca -0.11 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 1xpn s VAL 108 Cb 0.06 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1xpn s VAL 108 CO 0.88 -0.18 0.92 -0.13 0.00 0.00 0.00 175.10 176.59 1xpn s ARG 109 N 3.69 4.35 -0.23 2.72 0.52 -0.75 -4.88 118.95 124.36 1xpn s ARG 109 Ca 0.57 1.19 -0.10 0.00 -0.52 0.00 0.00 55.73 56.88 1xpn s ARG 109 Cb -0.22 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 1xpn s ARG 109 CO 0.18 -0.34 0.14 -1.21 0.02 0.00 0.00 175.30 174.08 1xpn s GLU 110 N 2.15 3.99 -0.33 3.54 2.02 -1.26 -0.30 118.70 128.51 1xpn s GLU 110 Ca 0.43 -0.31 -0.05 0.00 0.02 0.00 0.00 54.97 55.06 1xpn s GLU 110 Cb -0.17 -3.47 0.05 0.00 0.10 0.00 0.00 34.13 30.64 1xpn s GLU 110 CO 0.14 0.05 0.08 0.00 0.02 0.00 0.00 175.26 175.55 1xpn s ALA 111 N 1.07 2.99 -0.68 5.21 0.00 0.73 -4.93 121.76 126.15 1xpn s ALA 111 Ca 0.07 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 1xpn s ALA 111 Cb -0.14 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.83 1xpn s ALA 111 CO 0.04 -1.35 1.16 0.99 0.00 0.00 0.00 175.76 176.61 1xpn s THR 112 N 1.35 3.96 0.17 0.00 2.01 -1.25 -0.73 115.64 121.15 1xpn s THR 112 Ca -0.02 0.28 -0.32 0.00 0.31 0.00 0.00 61.69 61.94 1xpn s THR 112 Cb -0.20 -4.81 -0.11 0.00 0.01 0.00 0.00 72.50 67.39 1xpn s THR 112 CO 0.01 -1.63 1.77 0.42 -0.69 0.00 0.00 174.62 174.50 1xpn s THR 113 N 5.08 2.24 1.11 -0.82 -4.23 -0.51 -4.75 115.64 113.75 1xpn s THR 113 Ca 0.33 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.72 1xpn s THR 113 Cb -0.10 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1xpn s THR 113 CO 0.16 0.00 1.06 -0.62 -0.54 0.00 0.00 174.62 174.68 1xpn s ASP 114 N 1.83 1.57 0.55 3.99 2.15 -1.25 -0.35 116.67 125.15 1xpn s ASP 114 Ca 0.77 1.14 0.32 0.00 0.43 0.00 0.00 52.55 55.22 1xpn s ASP 114 Cb -0.48 -1.77 1.74 0.00 -0.30 0.00 0.00 42.92 42.11 1xpn s ASP 114 CO 0.34 -3.78 1.97 1.56 -0.17 0.00 0.00 175.17 175.08 1xpn h GLN 115 N -2.34 0.00 -0.07 4.34 4.20 -1.93 0.33 115.11 119.64 1xpn h GLN 115 Ca -0.55 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.10 1xpn h GLN 115 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1xpn h GLN 115 CO 0.51 0.00 -0.21 -0.91 -0.67 0.00 0.00 178.83 177.54 1xpn h ASN 116 N 0.00 0.10 0.00 1.46 2.35 -1.90 -3.46 115.58 114.13 1xpn h ASN 116 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xpn h ASN 116 Cb 0.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1xpn h ASN 116 CO 0.00 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 1xpn n GLY 117 N -0.80 0.73 3.89 2.83 0.00 0.12 -4.95 105.19 107.01 1xpn n GLY 117 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1xpn n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpn s ARG 118 N -0.39 3.39 -0.01 1.61 3.52 -1.26 -0.17 118.95 125.64 1xpn s ARG 118 Ca 0.00 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 1xpn s ARG 118 Cb 0.00 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1xpn s ARG 118 CO 0.00 0.67 0.03 -0.59 -0.81 0.00 0.00 175.30 174.60 1xpn s PHE 119 N -1.32 -0.01 0.06 5.12 -0.71 -0.50 -3.93 117.98 116.69 1xpn s PHE 119 Ca 0.27 0.04 0.06 0.00 -1.04 0.00 0.00 56.93 56.26 1xpn s PHE 119 Cb -0.13 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 1xpn s PHE 119 CO 0.19 -0.04 -0.17 -0.51 -1.34 0.00 0.00 175.22 173.35 1xpn s ASP 120 N -0.12 2.03 0.02 1.98 1.11 -1.26 -0.86 116.67 119.56 1xpn s ASP 120 Ca -0.01 -0.57 -0.02 0.00 0.18 0.00 0.00 52.55 52.13 1xpn s ASP 120 Cb -0.01 -0.12 -0.02 0.00 1.07 0.00 0.00 42.92 43.85 1xpn s ASP 120 CO -0.00 0.03 0.01 -0.36 1.18 0.00 0.00 175.17 176.03 1xpn s PHE 121 N -1.03 0.21 0.26 4.23 0.40 -0.05 -4.98 117.98 117.03 1xpn s PHE 121 Ca 0.03 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1xpn s PHE 121 Cb -0.09 -0.16 0.01 0.00 0.51 0.00 0.00 43.02 43.29 1xpn s PHE 121 CO 0.02 -0.22 0.39 -0.40 0.70 0.00 0.00 175.22 175.72 1xpn n ASP 122 N 1.54 -1.10 -2.64 1.36 5.68 -1.26 -0.18 116.55 119.96 1xpn n ASP 122 Ca -0.24 -2.38 -0.19 0.00 -0.50 0.00 0.00 54.79 51.49 1xpn n ASP 122 Cb 0.55 2.01 0.04 0.00 -1.14 0.00 0.00 41.12 42.57 1xpn n ASP 122 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1xpn n HIS 123 N -0.42 -1.77 -3.46 2.11 8.25 -1.12 -4.95 115.22 113.86 1xpn n HIS 123 Ca -0.00 0.50 -0.39 0.00 -0.26 0.00 0.00 57.72 57.57 1xpn n HIS 123 Cb 0.44 -4.01 -0.10 0.00 1.12 0.00 0.00 29.99 27.44 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 -3.11 5.22 0.17 1.59 -1.09 -1.01 -3.81 121.20 119.17 1xpn s ILE 124 Ca 0.29 0.35 -0.31 0.00 -2.23 0.00 0.00 60.65 58.75 1xpn s ILE 124 Cb -0.13 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 1xpn s ILE 124 CO 0.36 0.15 1.45 -2.84 -1.23 0.00 0.00 174.94 172.83 1xpn s PRO 125 N 1.95 4.28 0.17 2.79 0.02 -1.26 -0.26 135.00 142.70 1xpn s PRO 125 Ca 0.12 2.22 -0.32 0.00 0.02 0.00 0.00 61.00 63.05 1xpn s PRO 125 Cb -0.16 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.08 1xpn s PRO 125 CO 0.11 -0.47 1.59 0.54 -0.33 0.00 0.00 177.00 178.43 1xpn s ASN 126 N 0.85 6.56 0.00 2.53 2.20 -1.26 -4.87 114.94 120.95 1xpn s ASN 126 Ca 0.64 2.65 0.00 0.00 -0.94 0.00 0.00 52.86 55.21 1xpn s ASN 126 Cb -0.40 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.25 1xpn s ASN 126 CO 0.35 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 174.27 1xpn n GLY 127 N 3.76 -1.03 3.67 0.45 0.00 0.76 -4.96 105.19 107.85 1xpn n GLY 127 Ca 0.14 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.00 5.29 0.06 2.61 -4.23 -1.26 -1.44 115.64 113.66 1xpn s THR 128 Ca 0.00 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 1xpn s THR 128 Cb 0.00 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1xpn s THR 128 CO 0.00 0.31 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.94 1xpn s TYR 129 N 1.11 1.18 -0.27 3.99 1.51 -0.09 -0.67 117.35 124.12 1xpn s TYR 129 Ca 0.13 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 55.67 1xpn s TYR 129 Cb -0.14 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 1xpn s TYR 129 CO 0.06 0.04 0.16 0.71 -1.11 0.00 0.00 175.55 175.41 1xpn s TYR 130 N -1.11 3.20 -0.51 2.71 2.02 0.99 -0.84 117.35 123.81 1xpn s TYR 130 Ca -0.01 0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 1xpn s TYR 130 Cb -0.09 -2.33 0.07 0.00 -0.40 0.00 0.00 41.96 39.20 1xpn s TYR 130 CO 0.02 -0.18 0.57 0.42 -1.57 0.00 0.00 175.55 174.81 1xpn s ILE 131 N 1.64 4.97 -0.29 2.71 1.01 -0.19 -1.83 121.20 129.23 1xpn s ILE 131 Ca 0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1xpn s ILE 131 Cb -0.16 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.07 1xpn s ILE 131 CO 0.09 -0.78 0.03 -0.55 0.00 0.00 0.00 174.94 173.73 1xpn s SER 132 N 2.77 4.85 -0.12 3.58 0.15 0.79 -0.17 113.70 125.56 1xpn s SER 132 Ca 0.12 -0.88 0.01 0.00 0.70 0.00 0.00 55.95 55.89 1xpn s SER 132 Cb -0.21 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.30 1xpn s SER 132 CO 0.10 -0.20 -0.16 -0.94 1.20 0.00 0.00 173.24 173.24 1xpn s SER 133 N 1.40 3.74 -0.54 5.45 1.04 0.19 -0.19 113.70 124.80 1xpn s SER 133 Ca 0.00 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.88 1xpn s SER 133 Cb -0.18 -1.51 0.12 0.00 0.10 0.00 0.00 66.02 64.55 1xpn s SER 133 CO -0.00 0.17 0.51 -0.70 0.98 0.00 0.00 173.24 174.20 1xpn s GLU 134 N 0.29 2.99 -0.20 4.02 2.12 -1.06 -1.18 118.70 125.69 1xpn s GLU 134 Ca -0.12 -1.63 -0.05 0.00 0.36 0.00 0.00 54.97 53.53 1xpn s GLU 134 Cb -0.16 -4.28 0.07 0.00 0.26 0.00 0.00 34.13 30.02 1xpn s GLU 134 CO 0.06 -1.31 0.10 -1.17 -0.54 0.00 0.00 175.26 172.40 1xpn s LEU 135 N 1.70 0.38 -0.03 2.70 2.96 0.75 -4.44 118.68 122.69 1xpn s LEU 135 Ca 0.04 -0.76 0.05 0.00 -0.22 0.00 0.00 54.13 53.24 1xpn s LEU 135 Cb -0.29 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 1xpn s LEU 135 CO 0.04 -0.37 -0.17 0.28 -1.32 0.00 0.00 176.35 174.81 1xpn s THR 136 N 2.14 1.38 0.30 3.68 -1.32 -1.26 -0.58 115.64 119.98 1xpn s THR 136 Ca 0.04 -0.72 0.02 0.00 -1.21 0.00 0.00 61.69 59.83 1xpn s THR 136 Cb -0.16 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 1xpn s THR 136 CO -0.16 0.40 0.09 -1.66 -2.21 0.00 0.00 174.62 171.08 1xpn s TRP 137 N -0.14 1.70 -0.12 9.09 -2.14 -0.51 -4.88 118.94 121.94 1xpn s TRP 137 Ca 0.01 -1.13 0.02 0.00 2.66 0.00 0.00 56.10 57.65 1xpn s TRP 137 Cb -0.09 -1.04 0.01 0.00 -3.10 0.00 0.00 33.47 29.25 1xpn s TRP 137 CO 0.01 -0.24 -0.18 -1.54 -2.66 0.00 0.00 176.95 172.34 1xpn s SER 138 N -3.40 2.71 0.13 -2.66 1.04 -1.26 -0.83 113.70 109.44 1xpn s SER 138 Ca 0.36 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1xpn s SER 138 Cb 0.07 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 1xpn s SER 138 CO 0.15 0.04 -0.09 0.00 0.98 0.00 0.00 173.24 174.32 1xpn s ALA 139 N 0.91 2.98 -0.26 5.32 0.00 0.12 -4.95 121.76 125.88 1xpn s ALA 139 Ca -0.07 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 1xpn s ALA 139 Cb -0.15 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1xpn s ALA 139 CO -0.02 0.58 0.03 -0.65 0.00 0.00 0.00 175.76 175.70 1xpn s GLN 140 N -2.46 3.30 0.23 0.00 1.11 -1.26 -0.41 119.66 120.17 1xpn s GLN 140 Ca 0.23 -0.70 0.03 0.00 0.01 0.00 0.00 55.36 54.93 1xpn s GLN 140 Cb -0.10 -3.22 0.03 0.00 -1.01 0.00 0.00 33.01 28.71 1xpn s GLN 140 CO 0.15 -0.30 0.27 0.45 0.01 0.00 0.00 175.29 175.87 1xpn n SER 141 N 4.84 1.18 -4.55 5.90 2.88 0.13 -5.00 113.62 119.00 1xpn n SER 141 Ca -0.16 -1.69 -0.38 0.00 -1.33 0.00 0.00 58.87 55.31 1xpn n SER 141 Cb 0.50 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1xpn n SER 141 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xpn s ASP 142 N -2.43 5.62 0.00 -3.46 2.15 -1.26 -2.99 116.67 114.30 1xpn s ASP 142 Ca 0.21 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1xpn s ASP 142 Cb -0.02 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1xpn s ASP 142 CO 0.13 -2.19 0.00 0.61 -0.17 0.00 0.00 175.17 173.55 1xpn n GLY 143 N 5.80 1.49 2.90 2.66 0.00 -1.26 -4.98 105.19 111.80 1xpn n GLY 143 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.10 1.40 -0.59 1.61 -0.14 -1.16 -5.07 119.74 115.70 1xpn s LYS 144 Ca 0.00 -0.98 -0.21 0.00 -1.36 0.00 0.00 55.97 53.42 1xpn s LYS 144 Cb 0.00 -2.51 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 1xpn s LYS 144 CO 0.00 -0.66 0.81 0.99 -0.76 0.00 0.00 175.35 175.73 1xpn s THR 145 N 1.45 4.60 -0.00 2.17 2.01 -1.26 0.17 115.64 124.78 1xpn s THR 145 Ca -0.03 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1xpn s THR 145 Cb -0.18 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 67.75 1xpn s THR 145 CO -0.08 -1.16 0.47 0.27 -0.69 0.00 0.00 174.62 173.43 1xpn s ILE 146 N 3.32 4.97 -0.34 1.82 -4.36 0.45 -4.87 121.20 122.19 1xpn s ILE 146 Ca 0.19 0.98 -0.08 0.00 -0.26 0.00 0.00 60.65 61.47 1xpn s ILE 146 Cb -0.19 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 39.75 1xpn s ILE 146 CO 0.11 0.52 0.14 -0.89 0.24 0.00 0.00 174.94 175.05 1xpn s THR 147 N -0.75 4.17 0.55 8.37 2.01 -1.26 0.11 115.64 128.84 1xpn s THR 147 Ca 0.26 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.48 1xpn s THR 147 Cb -0.17 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.12 1xpn s THR 147 CO 0.14 -0.10 0.56 -1.61 -0.69 0.00 0.00 174.62 172.93 1xpn s GLU 148 N 1.50 2.31 4.07 4.92 2.02 -0.01 -4.61 118.70 128.89 1xpn s GLU 148 Ca 0.01 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1xpn s GLU 148 Cb -0.18 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1xpn s GLU 148 CO 0.04 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1xpn n GLY 149 N -1.95 0.40 0.00 -1.39 0.00 -1.26 -1.43 105.19 99.56 1xpn n GLY 149 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.18 3.03 -0.02 0.00 0.25 -0.75 105.19 107.88 1xpn n GLY 150 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 2.13 -0.20 2.61 2.01 0.13 -0.17 115.64 122.15 1xpn s THR 151 Ca 0.00 -1.93 -0.09 0.00 0.31 0.00 0.00 61.69 59.99 1xpn s THR 151 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1xpn s THR 151 CO 0.00 -0.32 0.10 0.54 -0.69 0.00 0.00 174.62 174.25 1xpn s VAL 152 N 1.05 5.03 -0.17 3.82 0.11 -0.33 0.17 120.40 130.08 1xpn s VAL 152 Ca 0.01 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1xpn s VAL 152 Cb -0.19 -3.29 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1xpn s VAL 152 CO -0.07 0.43 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.05 1xpn s THR 153 N 0.55 2.21 -0.24 5.04 2.01 -1.26 -0.63 115.64 123.33 1xpn s THR 153 Ca 0.05 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1xpn s THR 153 Cb -0.12 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1xpn s THR 153 CO 0.01 0.53 0.01 -0.75 -0.69 0.00 0.00 174.62 173.72 1xpn s LYS 154 N 1.19 3.47 -0.44 4.92 2.20 0.76 -4.76 119.74 127.09 1xpn s LYS 154 Ca 0.02 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 1xpn s LYS 154 Cb -0.14 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1xpn s LYS 154 CO -0.09 -0.21 1.10 -1.17 -0.36 0.00 0.00 175.35 174.62 1xpn s LEU 155 N 1.53 3.75 -0.15 5.43 2.96 -1.26 -1.03 118.68 129.91 1xpn s LEU 155 Ca 0.06 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1xpn s LEU 155 Cb -0.15 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1xpn s LEU 155 CO -0.00 -1.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.15 1xpn s VAL 156 N 4.18 3.75 -0.66 1.68 1.01 -0.02 -4.98 120.40 125.35 1xpn s VAL 156 Ca 0.46 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1xpn s VAL 156 Cb -0.09 -2.63 0.17 0.00 0.00 0.00 0.00 36.38 33.83 1xpn s VAL 156 CO 0.27 0.50 0.52 0.28 0.00 0.00 0.00 175.10 176.67 1xpn s THR 157 N 0.35 4.34 -0.77 3.92 -1.32 -1.26 -0.91 115.64 120.00 1xpn s THR 157 Ca -0.05 -2.64 -0.25 0.00 -1.21 0.00 0.00 61.69 57.54 1xpn s THR 157 Cb -0.14 -3.78 0.05 0.00 -1.51 0.00 0.00 72.50 67.11 1xpn s THR 157 CO 0.03 -0.91 1.22 -0.69 -2.21 0.00 0.00 174.62 172.07 1xpn s VAL 158 N 0.22 3.93 -0.79 5.08 1.01 -0.52 -4.80 120.40 124.52 1xpn s VAL 158 Ca 0.16 -0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.35 1xpn s VAL 158 Cb -0.18 -4.88 -0.17 0.00 0.00 0.00 0.00 36.38 31.15 1xpn s VAL 158 CO -0.05 -1.76 0.98 -1.20 0.00 0.00 0.00 175.10 173.06 1xpn n SER 159 N 8.81 0.71 -4.22 3.32 7.64 -1.26 -0.17 113.62 128.45 1xpn n SER 159 Ca 0.06 -0.55 -0.13 0.00 1.01 0.00 0.00 58.87 59.27 1xpn n SER 159 Cb 0.48 0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 64.51 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 160 N -3.34 1.10 -0.05 0.23 0.00 -1.26 -4.90 107.32 99.09 1xpn s GLY 160 Ca 0.06 -1.53 0.06 0.00 0.00 0.00 0.00 44.72 43.32 1xpn s GLY 160 CO 0.83 -1.50 1.06 1.44 0.00 0.00 0.00 173.10 174.92 1xpn n SER 161 N -0.19 2.22 -4.88 1.64 7.64 -1.26 -4.58 113.62 114.22 1xpn n SER 161 Ca -0.08 -2.20 -0.30 0.00 1.01 0.00 0.00 58.87 57.30 1xpn n SER 161 Cb 0.63 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.64 3.73 -0.28 1.43 -0.21 -1.26 -4.20 119.66 117.22 1xpn s GLN 162 Ca 0.19 0.54 -0.34 0.00 0.02 0.00 0.00 55.36 55.77 1xpn s GLN 162 Cb 0.13 -2.29 -0.10 0.00 1.00 0.00 0.00 33.01 31.74 1xpn s GLN 162 CO 0.09 -0.20 2.13 -2.30 -2.12 0.00 0.00 175.29 172.89 1xpn n PRO 163 N -1.78 1.41 -3.30 2.91 -0.02 -1.26 -4.11 135.00 128.85 1xpn n PRO 163 Ca 0.03 0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 61.49 1xpn n PRO 163 Cb 0.54 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1xpn n PRO 163 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1xpn s GLN 164 N 5.81 3.06 -0.27 -0.52 2.00 0.14 -4.95 119.66 124.93 1xpn s GLN 164 Ca 1.05 -1.01 -0.24 0.00 -2.00 0.00 0.00 55.36 53.16 1xpn s GLN 164 Cb -0.74 -4.07 -0.00 0.00 0.80 0.00 0.00 33.01 29.00 1xpn s GLN 164 CO 0.48 -1.03 0.82 0.21 -0.50 0.00 0.00 175.29 175.27 1xpn s LYS 165 N 2.11 4.10 -0.25 1.67 2.20 -1.26 -0.47 119.74 127.85 1xpn s LYS 165 Ca 0.10 0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1xpn s LYS 165 Cb -0.20 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1xpn s LYS 165 CO 0.11 -0.58 -0.05 0.08 -0.36 0.00 0.00 175.35 174.54 1xpn s VAL 166 N 2.90 2.92 -0.52 4.02 1.01 0.47 -4.95 120.40 126.25 1xpn s VAL 166 Ca 0.34 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1xpn s VAL 166 Cb -0.15 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1xpn s VAL 166 CO 0.09 0.18 0.81 -0.76 0.00 0.00 0.00 175.10 175.42 1xpn s LEU 167 N 1.33 4.41 -0.86 3.92 1.43 -1.26 -0.86 118.68 126.78 1xpn s LEU 167 Ca -0.00 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 1xpn s LEU 167 Cb -0.17 -2.72 0.10 0.00 0.03 0.00 0.00 46.19 43.43 1xpn s LEU 167 CO -0.04 -1.06 1.12 -0.22 0.23 0.00 0.00 176.35 176.38 1xpn s LEU 168 N 3.39 4.67 0.18 1.79 2.96 -0.27 -4.95 118.68 126.44 1xpn s LEU 168 Ca 0.25 -1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 52.47 1xpn s LEU 168 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1xpn s LEU 168 CO 0.17 -1.23 0.16 0.28 -1.32 0.00 0.00 176.35 174.41 1xpn s THR 169 N 3.37 0.04 0.00 3.68 -1.32 -1.25 -1.64 115.64 118.51 1xpn s THR 169 Ca 0.31 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1xpn s THR 169 Cb -0.08 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1xpn s THR 169 CO -0.04 -0.18 0.29 -2.11 -2.21 0.00 0.00 174.62 170.37