#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 5.46 0.00 1.61 0.01 -1.26 -4.91 113.70 114.61 1xpn s SER 2 Ca 0.00 -3.19 0.31 0.00 1.31 0.00 0.00 55.95 54.38 1xpn s SER 2 Cb 0.00 -1.86 1.59 0.00 0.21 0.00 0.00 66.02 65.95 1xpn s SER 2 CO 0.00 -0.30 2.07 -1.20 0.41 0.00 0.00 173.24 174.22 1xpn n SER 3 N 3.04 0.17 -3.13 2.44 7.64 -1.26 -4.10 113.62 118.42 1xpn n SER 3 Ca 0.13 -0.63 -0.35 0.00 1.01 0.00 0.00 58.87 59.03 1xpn n SER 3 Cb 0.37 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.03 2.09 -3.56 1.43 -0.00 -1.26 -4.71 115.22 108.17 1xpn n HIS 4 Ca 0.18 -2.86 -0.18 0.00 -0.00 0.00 0.00 57.72 54.86 1xpn n HIS 4 Cb 0.20 -2.35 -0.14 0.00 -0.00 0.00 0.00 29.99 27.71 1xpn n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 5 N 1.87 -0.25 -1.25 4.41 0.09 -1.26 -5.08 115.29 113.82 1xpn s HIS 5 Ca 0.69 0.39 -0.17 0.00 -0.00 0.00 0.00 55.06 55.96 1xpn s HIS 5 Cb 0.20 -0.31 0.09 0.00 -0.00 0.00 0.00 32.58 32.56 1xpn s HIS 5 CO -0.05 -0.49 1.63 -1.01 -0.00 0.00 0.00 174.74 174.82 1xpn s HIS 6 N 2.32 2.94 0.00 1.40 4.02 -1.26 -4.78 115.29 119.93 1xpn s HIS 6 Ca 0.05 -1.68 0.00 0.00 1.02 0.00 0.00 55.06 54.45 1xpn s HIS 6 Cb -0.14 -4.64 0.00 0.00 -1.02 0.00 0.00 32.58 26.78 1xpn s HIS 6 CO -0.10 -1.71 0.00 1.58 1.02 0.00 0.00 174.74 175.53 1xpn n HIS 7 N 7.74 0.00 -3.32 1.40 -0.00 -1.26 -4.28 115.22 115.49 1xpn n HIS 7 Ca 0.44 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.19 1xpn n HIS 7 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 1xpn n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1xpn s HIS 8 N 0.00 -0.54 -0.61 1.57 5.65 -1.26 -5.12 115.29 114.98 1xpn s HIS 8 Ca 0.00 0.88 -0.20 0.00 0.25 0.00 0.00 55.06 55.99 1xpn s HIS 8 Cb 0.00 0.30 0.09 0.00 -1.18 0.00 0.00 32.58 31.80 1xpn s HIS 8 CO 0.00 -0.27 0.78 -1.58 -0.65 0.00 0.00 174.74 173.02 1xpn s HIS 9 N 2.43 2.90 0.28 3.88 5.65 -1.26 -5.01 115.29 124.15 1xpn s HIS 9 Ca -0.01 -0.83 0.08 0.00 0.25 0.00 0.00 55.06 54.55 1xpn s HIS 9 Cb -0.05 -4.09 -0.06 0.00 -1.18 0.00 0.00 32.58 27.20 1xpn s HIS 9 CO -0.16 -1.39 -0.09 -1.54 -0.65 0.00 0.00 174.74 170.90 1xpn s SER 10 N 3.62 2.96 -0.35 9.88 1.04 -1.26 -5.12 113.70 124.47 1xpn s SER 10 Ca 0.15 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.33 1xpn s SER 10 Cb -0.22 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1xpn s SER 10 CO 0.08 -0.25 0.18 -0.94 0.98 0.00 0.00 173.24 173.28 1xpn s SER 11 N -3.45 5.62 -0.43 7.02 1.04 -1.26 -4.99 113.70 117.24 1xpn s SER 11 Ca 0.29 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 55.91 1xpn s SER 11 Cb 0.02 -2.00 0.17 0.00 0.10 0.00 0.00 66.02 64.31 1xpn s SER 11 CO 0.12 -0.32 0.53 -0.83 0.98 0.00 0.00 173.24 173.73 1xpn s GLY 12 N 1.56 -0.48 -0.30 7.32 0.00 -1.26 -5.12 107.32 109.04 1xpn s GLY 12 Ca 0.02 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.77 1xpn s GLY 12 CO 0.06 3.13 0.60 1.08 0.00 0.00 0.00 173.10 177.97 1xpn s LEU 13 N 1.14 4.14 -0.41 0.66 1.02 -1.26 -5.03 118.68 118.94 1xpn s LEU 13 Ca 0.23 0.44 -0.15 0.00 0.02 0.00 0.00 54.13 54.67 1xpn s LEU 13 Cb -0.05 -2.78 0.02 0.00 0.02 0.00 0.00 46.19 43.40 1xpn s LEU 13 CO -0.07 -0.44 0.29 0.68 0.02 0.00 0.00 176.35 176.83 1xpn s VAL 14 N 2.54 5.21 0.05 -1.59 -7.23 -1.26 -5.00 120.40 113.12 1xpn s VAL 14 Ca 0.24 -0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 1xpn s VAL 14 Cb -0.15 -3.90 -0.12 0.00 0.56 0.00 0.00 36.38 32.78 1xpn s VAL 14 CO 0.11 -0.30 1.36 1.55 -0.31 0.00 0.00 175.10 177.51 1xpn h PRO 15 N 8.61 -0.67 -6.53 4.82 0.13 -1.99 -3.26 132.00 133.11 1xpn h PRO 15 Ca -0.27 0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.35 1xpn h PRO 15 Cb 1.12 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1xpn h PRO 15 CO 0.72 -0.44 1.04 0.50 -0.23 0.00 0.00 178.00 179.59 1xpn s ARG 16 N -4.83 3.49 0.00 0.86 3.00 -1.26 -2.72 118.95 117.49 1xpn s ARG 16 Ca -0.12 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.16 1xpn s ARG 16 Cb 0.02 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 30.94 1xpn s ARG 16 CO 0.38 -1.70 0.00 0.41 0.00 0.00 0.00 175.30 174.40 1xpn n GLY 17 N 5.10 0.91 2.04 8.12 0.00 -1.26 -4.99 105.19 115.12 1xpn n GLY 17 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1xpn n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xpn n SER 18 N 0.00 -0.68 -3.25 1.61 3.41 -1.16 -5.06 113.62 108.49 1xpn n SER 18 Ca 0.00 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1xpn n SER 18 Cb 0.00 0.84 0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1xpn n SER 18 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xpn n HIS 19 N -2.80 -2.64 0.00 7.33 8.25 -1.10 -5.02 115.22 119.25 1xpn n HIS 19 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1xpn n HIS 19 Cb 0.00 -3.93 0.00 0.00 1.12 0.00 0.00 29.99 27.18 1xpn n HIS 19 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1xpn n MET 20 N -2.54 0.00 -2.32 -0.41 1.56 -1.26 -4.98 117.12 107.18 1xpn n MET 20 Ca -0.06 0.09 -0.38 0.00 -0.27 0.00 0.00 57.70 57.09 1xpn n MET 20 Cb 0.56 -0.44 -0.02 0.00 2.15 0.00 0.00 33.22 35.47 1xpn n MET 20 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xpn s ALA 21 N -3.76 3.12 0.24 -5.12 0.00 -1.26 -5.00 121.76 109.99 1xpn s ALA 21 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1xpn s ALA 21 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1xpn s ALA 21 CO 0.00 -0.51 0.92 -1.12 0.00 0.00 0.00 175.76 175.05 1xpn s SER 22 N -1.21 7.57 -0.05 0.00 0.01 -1.26 -5.07 113.70 113.69 1xpn s SER 22 Ca 0.58 1.89 0.03 0.00 1.31 0.00 0.00 55.95 59.77 1xpn s SER 22 Cb -0.29 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1xpn s SER 22 CO 0.37 0.13 -0.15 0.21 0.41 0.00 0.00 173.24 174.21 1xpn s ASN 23 N -1.25 1.94 -0.08 2.44 2.47 -1.26 -5.10 114.94 114.10 1xpn s ASN 23 Ca 0.42 -0.32 -0.33 0.00 0.42 0.00 0.00 52.86 53.05 1xpn s ASN 23 Cb -0.24 -0.64 -0.11 0.00 -1.45 0.00 0.00 41.25 38.81 1xpn s ASN 23 CO 0.30 0.11 1.93 -0.81 -3.72 0.00 0.00 177.10 174.90 1xpn n PRO 24 N 3.35 2.28 0.00 0.43 -0.04 -1.26 -4.84 135.00 134.92 1xpn n PRO 24 Ca -0.19 0.83 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1xpn n PRO 24 Cb 0.53 -2.74 0.21 0.00 -0.04 0.00 0.00 33.50 31.46 1xpn n PRO 24 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xpn n ASN 25 N 7.13 1.96 -0.02 3.54 6.94 -1.26 -3.74 115.26 129.80 1xpn n ASN 25 Ca 0.23 -1.50 -0.13 0.00 -0.02 0.00 0.00 54.58 53.16 1xpn n ASN 25 Cb 0.32 0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.83 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1xpn h ASP 26 N 2.73 0.07 -3.39 0.53 3.58 -1.97 -3.43 116.42 114.54 1xpn h ASP 26 Ca 0.00 -0.53 -0.43 0.00 0.42 0.00 0.00 57.03 56.49 1xpn h ASP 26 Cb 0.72 -0.02 -0.35 0.00 1.72 0.00 0.00 39.33 41.40 1xpn h ASP 26 CO 0.00 0.59 -0.77 -0.76 -2.88 0.00 0.00 179.24 175.41 1xpn s LEU 27 N -9.11 1.12 0.43 2.28 1.43 -1.26 -4.54 118.68 109.04 1xpn s LEU 27 Ca -0.16 -0.13 0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1xpn s LEU 27 Cb 0.02 -0.48 0.98 0.00 0.03 0.00 0.00 46.19 46.74 1xpn s LEU 27 CO 0.69 -0.10 2.04 1.55 0.23 0.00 0.00 176.35 180.76 1xpn h PRO 28 N 7.56 0.41 -2.56 1.29 0.13 -1.75 -3.41 132.00 133.66 1xpn h PRO 28 Ca -0.32 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.90 1xpn h PRO 28 Cb 1.14 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.09 1xpn h PRO 28 CO 0.41 0.27 0.39 0.34 -0.23 0.00 0.00 178.00 179.18 1xpn s ASP 29 N -6.54 -0.29 -0.15 1.44 -1.08 -1.26 -4.74 116.67 104.05 1xpn s ASP 29 Ca -0.08 -0.31 -0.15 0.00 -0.52 0.00 0.00 52.55 51.49 1xpn s ASP 29 Cb 0.18 0.54 -0.12 0.00 -1.46 0.00 0.00 42.92 42.06 1xpn s ASP 29 CO 0.73 -0.95 0.19 0.15 0.52 0.00 0.00 175.17 175.81 1xpn h PHE 30 N 2.00 0.00 -1.90 -5.34 3.57 -1.97 -3.46 116.94 109.83 1xpn h PHE 30 Ca -0.24 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.61 1xpn h PHE 30 Cb 1.25 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.01 1xpn h PHE 30 CO 0.35 0.66 1.01 -0.35 -2.23 0.00 0.00 178.31 177.74 1xpn n PRO 31 N -4.60 1.87 -0.41 6.41 -0.04 -1.26 -4.86 135.00 132.12 1xpn n PRO 31 Ca -0.13 0.68 0.06 0.00 -0.04 0.00 0.00 63.50 64.07 1xpn n PRO 31 Cb 0.38 -2.48 0.19 0.00 -0.04 0.00 0.00 33.50 31.55 1xpn n PRO 31 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xpn n GLU 32 N 5.99 1.78 0.10 0.54 -0.00 -1.26 -4.76 120.64 123.03 1xpn n GLU 32 Ca 0.23 -2.92 0.07 0.00 -0.00 0.00 0.00 57.16 54.54 1xpn n GLU 32 Cb 0.25 -1.66 0.37 0.00 -0.00 0.00 0.00 31.44 30.40 1xpn n GLU 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1xpn n HIS 33 N -1.12 0.45 0.32 -1.84 8.25 -1.26 -0.42 115.22 119.60 1xpn n HIS 33 Ca 0.21 0.23 0.20 0.00 -0.26 0.00 0.00 57.72 58.10 1xpn n HIS 33 Cb 0.77 -0.86 1.09 0.00 1.12 0.00 0.00 29.99 32.11 1xpn n HIS 33 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1xpn h GLU 34 N 0.00 0.00 -0.34 -0.41 9.09 -1.97 0.05 114.58 121.00 1xpn h GLU 34 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1xpn h GLU 34 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.14 1xpn h GLU 34 CO 0.00 0.01 0.01 1.88 0.05 0.00 0.00 179.01 180.96 1xpn h TYR 35 N 0.00 0.53 -0.01 2.06 0.05 -1.13 -2.90 116.97 115.57 1xpn h TYR 35 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1xpn h TYR 35 Cb 0.06 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1xpn h TYR 35 CO 0.00 0.52 0.00 0.00 -1.05 0.00 0.00 178.16 177.63 1xpn n ALA 36 N -2.48 2.63 0.11 3.88 0.00 0.00 -2.91 120.51 121.74 1xpn n ALA 36 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1xpn n ALA 36 Cb 0.24 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.40 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn h ALA 37 N 3.81 0.75 -2.31 0.00 0.00 -1.56 -3.42 119.26 116.54 1xpn h ALA 37 Ca 0.00 -0.69 -0.64 0.00 0.00 0.00 0.00 54.91 53.58 1xpn h ALA 37 Cb 0.07 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 1xpn h ALA 37 CO 0.00 0.95 0.08 0.95 0.00 0.00 0.00 179.25 181.22 1xpn s THR 38 N -3.28 4.91 0.36 0.00 -4.23 -1.15 -5.06 115.64 107.19 1xpn s THR 38 Ca -0.00 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1xpn s THR 38 Cb 0.12 -4.09 0.08 0.00 1.34 0.00 0.00 72.50 69.94 1xpn s THR 38 CO 0.78 -0.39 0.49 0.00 -0.54 0.00 0.00 174.62 174.97 1xpn n GLN 39 N 6.03 0.06 -0.21 3.99 1.13 -1.26 -5.01 117.38 122.11 1xpn n GLN 39 Ca -0.02 -1.16 0.09 0.00 -1.94 0.00 0.00 57.00 53.96 1xpn n GLN 39 Cb 0.48 -0.38 0.20 0.00 0.11 0.00 0.00 30.24 30.65 1xpn n GLN 39 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1xpn n GLN 40 N -1.95 2.44 -3.13 -1.09 -0.06 -1.26 -4.45 117.38 107.88 1xpn n GLN 40 Ca 0.08 -2.17 -0.41 0.00 -2.00 0.00 0.00 57.00 52.50 1xpn n GLN 40 Cb 0.27 -1.41 -0.07 0.00 -4.06 0.00 0.00 30.24 24.97 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1xpn s VAL 41 N -1.13 4.95 0.00 1.69 1.01 -1.26 -4.61 120.40 121.05 1xpn s VAL 41 Ca 0.33 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1xpn s VAL 41 Cb 0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xpn s VAL 41 CO 0.25 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1xpn n GLY 42 N 4.45 0.80 0.16 4.51 0.00 -1.26 -3.97 105.19 109.88 1xpn n GLY 42 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.17 4.26 3.60 -0.02 0.00 -1.18 -3.36 105.19 108.32 1xpn n GLY 43 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.62 0.68 -0.33 -0.02 0.00 -0.01 -4.13 107.32 100.89 1xpn s GLY 44 Ca 0.28 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 45.21 1xpn s GLY 44 CO 0.02 3.42 0.32 0.14 0.00 0.00 0.00 173.10 177.00 1xpn s VAL 45 N 7.42 5.21 -0.24 1.40 1.01 -0.99 -3.72 120.40 130.48 1xpn s VAL 45 Ca 0.85 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 1xpn s VAL 45 Cb -0.25 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1xpn s VAL 45 CO 0.33 -0.01 -0.00 -0.63 0.00 0.00 0.00 175.10 174.79 1xpn s ILE 46 N 1.94 3.61 -0.46 2.22 1.01 -0.38 -0.23 121.20 128.91 1xpn s ILE 46 Ca 0.10 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1xpn s ILE 46 Cb -0.17 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.68 1xpn s ILE 46 CO 0.11 0.33 0.36 0.20 0.00 0.00 0.00 174.94 175.95 1xpn s ASN 47 N 1.50 5.97 -0.25 3.58 0.02 0.52 -1.52 114.94 124.76 1xpn s ASN 47 Ca 0.05 -1.46 -0.09 0.00 -1.02 0.00 0.00 52.86 50.34 1xpn s ASN 47 Cb -0.15 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 38.96 1xpn s ASN 47 CO -0.01 -0.64 0.12 -0.83 0.02 0.00 0.00 177.10 175.76 1xpn s GLY 48 N 2.57 1.87 -0.41 0.66 0.00 0.79 0.23 107.32 113.03 1xpn s GLY 48 Ca 0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 1xpn s GLY 48 CO 0.04 0.49 0.28 0.99 0.00 0.00 0.00 173.10 174.91 1xpn s ASP 49 N 1.41 5.97 -0.10 1.64 1.01 0.33 -1.26 116.67 125.68 1xpn s ASP 49 Ca 0.06 -1.03 -0.19 0.00 0.71 0.00 0.00 52.55 52.10 1xpn s ASP 49 Cb -0.15 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 1xpn s ASP 49 CO 0.06 -0.47 0.53 -0.22 0.21 0.00 0.00 175.17 175.29 1xpn s LEU 50 N 1.62 4.30 -0.30 1.23 2.96 -0.80 -0.34 118.68 127.35 1xpn s LEU 50 Ca 0.04 0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 54.70 1xpn s LEU 50 Cb -0.20 -2.79 0.18 0.00 0.50 0.00 0.00 46.19 43.88 1xpn s LEU 50 CO 0.08 -0.02 1.15 -0.72 -1.32 0.00 0.00 176.35 175.53 1xpn s TYR 51 N 0.59 -0.32 0.15 5.38 1.13 -0.24 -4.52 117.35 119.53 1xpn s TYR 51 Ca 0.29 0.57 0.06 0.00 -1.41 0.00 0.00 57.07 56.58 1xpn s TYR 51 Cb -0.16 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1xpn s TYR 51 CO 0.12 -0.16 0.05 -0.51 -2.51 0.00 0.00 175.55 172.54 1xpn s LEU 52 N 1.90 3.53 -0.22 -3.49 1.43 -0.09 -3.61 118.68 118.13 1xpn s LEU 52 Ca -0.03 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1xpn s LEU 52 Cb -0.03 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1xpn s LEU 52 CO -0.15 0.10 0.03 -0.89 0.23 0.00 0.00 176.35 175.67 1xpn s THR 53 N -1.63 4.07 0.57 5.49 2.01 0.10 -0.08 115.64 126.17 1xpn s THR 53 Ca 0.28 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 1xpn s THR 53 Cb -0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1xpn s THR 53 CO 0.20 0.39 1.14 -0.44 -0.69 0.00 0.00 174.62 175.22 1xpn s SER 54 N 1.30 5.54 0.59 3.53 0.01 -0.07 -4.88 113.70 119.72 1xpn s SER 54 Ca 0.04 2.17 0.34 0.00 1.31 0.00 0.00 55.95 59.81 1xpn s SER 54 Cb -0.15 -2.58 1.84 0.00 0.21 0.00 0.00 66.02 65.35 1xpn s SER 54 CO 0.02 -1.34 2.21 0.00 0.41 0.00 0.00 173.24 174.54 1xpn h ALA 55 N 0.95 1.24 0.00 1.44 0.00 -1.97 0.91 119.26 121.83 1xpn h ALA 55 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xpn h ALA 55 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpn h ALA 55 CO 0.56 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 1xpn n SER 56 N -3.48 0.00 -1.14 0.00 3.41 -1.26 -4.87 113.62 106.27 1xpn n SER 56 Ca -0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1xpn n SER 56 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.60 0.77 2.83 5.00 0.00 0.31 -5.09 105.19 109.61 1xpn n GLY 57 Ca 0.17 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.81 0.64 -0.58 4.61 0.00 -1.19 -4.95 121.76 117.48 1xpn s ALA 58 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.62 1xpn s ALA 58 Cb 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1xpn s ALA 58 CO 0.00 -0.21 1.25 0.42 0.00 0.00 0.00 175.76 177.23 1xpn s ILE 59 N 1.36 3.95 -0.45 0.00 -1.09 -1.26 -0.89 121.20 122.82 1xpn s ILE 59 Ca -0.04 0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 59.01 1xpn s ILE 59 Cb -0.13 -4.66 0.03 0.00 -1.58 0.00 0.00 42.46 36.11 1xpn s ILE 59 CO -0.02 -1.31 0.64 -1.58 -1.23 0.00 0.00 174.94 171.43 1xpn s GLN 60 N 5.11 3.26 0.00 2.79 0.74 0.89 -4.94 119.66 127.52 1xpn s GLN 60 Ca 0.45 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1xpn s GLN 60 Cb -0.08 -3.97 0.00 0.00 1.10 0.00 0.00 33.01 30.06 1xpn s GLN 60 CO 0.25 -1.03 0.74 1.63 -0.55 0.00 0.00 175.29 176.33 1xpn n LYS 61 N 6.25 0.00 0.00 1.67 4.76 -1.26 -0.91 118.16 128.67 1xpn n LYS 61 Ca -0.02 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1xpn n LYS 61 Cb 0.48 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 -0.36 -0.73 3.51 0.72 0.00 -1.26 -3.16 105.19 103.90 1xpn n GLY 62 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 4.11 -1.06 2.61 -4.23 -1.26 -3.93 115.64 111.88 1xpn s THR 63 Ca 0.00 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1xpn s THR 63 Cb 0.00 -4.74 0.00 0.00 1.34 0.00 0.00 72.50 69.10 1xpn s THR 63 CO 0.00 -1.53 0.89 0.59 -0.54 0.00 0.00 174.62 174.04 1xpn n ASN 64 N 8.29 -2.85 -4.78 3.99 3.02 0.26 -4.98 115.26 118.22 1xpn n ASN 64 Ca 0.00 -0.52 -0.37 0.00 -0.03 0.00 0.00 54.58 53.67 1xpn n ASN 64 Cb 0.47 -4.45 -0.07 0.00 -0.61 0.00 0.00 39.78 35.13 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 -3.30 5.25 -0.16 3.41 2.01 -1.17 -4.82 115.64 116.86 1xpn s THR 65 Ca 0.11 0.62 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1xpn s THR 65 Cb -0.05 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1xpn s THR 65 CO 0.63 0.47 1.08 -0.75 -0.69 0.00 0.00 174.62 175.35 1xpn s LYS 66 N -0.15 4.32 -0.11 4.92 2.20 -1.26 -1.70 119.74 127.96 1xpn s LYS 66 Ca 0.19 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.27 1xpn s LYS 66 Cb -0.14 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1xpn s LYS 66 CO 0.07 -0.51 -0.17 0.08 -0.36 0.00 0.00 175.35 174.46 1xpn s VAL 67 N 2.72 2.69 -0.05 4.02 1.01 0.44 -4.47 120.40 126.76 1xpn s VAL 67 Ca 0.48 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1xpn s VAL 67 Cb -0.18 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1xpn s VAL 67 CO 0.13 0.54 -0.11 0.00 0.00 0.00 0.00 175.10 175.66 1xpn s ALA 68 N 0.28 2.82 -0.38 5.51 0.00 -0.22 0.24 121.76 130.02 1xpn s ALA 68 Ca -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1xpn s ALA 68 Cb -0.16 -1.08 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1xpn s ALA 68 CO 0.07 0.57 0.14 -1.17 0.00 0.00 0.00 175.76 175.36 1xpn s LEU 69 N -0.86 4.96 -0.07 0.00 2.96 -0.14 -1.16 118.68 124.36 1xpn s LEU 69 Ca 0.13 -1.97 -0.03 0.00 -0.22 0.00 0.00 54.13 52.03 1xpn s LEU 69 Cb -0.11 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1xpn s LEU 69 CO 0.02 -0.47 0.08 -1.61 -1.32 0.00 0.00 176.35 173.05 1xpn s GLU 70 N 1.09 3.17 -0.10 1.98 2.02 0.76 -2.96 118.70 124.67 1xpn s GLU 70 Ca 0.07 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 1xpn s GLU 70 Cb -0.21 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1xpn s GLU 70 CO -0.05 0.71 1.55 -2.14 0.02 0.00 0.00 175.26 175.36 1xpn s PRO 71 N -1.22 4.16 -0.59 0.39 0.02 -1.26 0.24 135.00 136.73 1xpn s PRO 71 Ca 0.17 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 1xpn s PRO 71 Cb -0.12 -3.94 0.02 0.00 0.02 0.00 0.00 34.50 30.48 1xpn s PRO 71 CO 0.07 -0.86 1.35 0.00 -0.33 0.00 0.00 177.00 177.24 1xpn s ALA 72 N 4.02 2.83 0.00 -1.55 0.00 -0.92 -4.81 121.76 121.33 1xpn s ALA 72 Ca 0.69 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1xpn s ALA 72 Cb -0.30 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1xpn s ALA 72 CO 0.26 -2.95 0.00 -2.37 0.00 0.00 0.00 175.76 170.70 1xpn n THR 73 N 6.75 0.00 -0.37 0.00 5.66 -1.26 -4.77 114.28 120.28 1xpn n THR 73 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1xpn n THR 73 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1xpn n THR 73 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1xpn n SER 74 N -0.13 -0.37 0.00 1.09 2.88 -1.26 -4.33 113.62 111.49 1xpn n SER 74 Ca 0.00 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 1xpn n SER 74 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1xpn n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xpn n TYR 75 N -1.45 0.00 0.23 0.66 9.36 -1.26 -4.34 117.16 120.36 1xpn n TYR 75 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1xpn n TYR 75 Cb 0.00 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.91 1xpn n TYR 75 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1xpn n MET 76 N 0.00 2.71 -0.15 2.98 2.81 -1.26 -4.31 117.12 119.90 1xpn n MET 76 Ca 0.00 -1.56 -0.05 0.00 -1.81 0.00 0.00 57.70 54.28 1xpn n MET 76 Cb 0.00 -1.73 0.04 0.00 -0.71 0.00 0.00 33.22 30.82 1xpn n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xpn h LYS 77 N 2.11 0.43 0.00 0.03 3.64 -1.78 -0.96 116.57 120.04 1xpn h LYS 77 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xpn h LYS 77 Cb 1.06 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1xpn h LYS 77 CO 0.19 0.28 -0.24 0.00 -2.27 0.00 0.00 179.45 177.40 1xpn h ALA 78 N 1.25 0.84 -0.25 5.00 0.00 -1.83 -3.20 119.26 121.07 1xpn h ALA 78 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1xpn h ALA 78 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xpn h ALA 78 CO -0.15 0.00 -0.46 -0.92 0.00 0.00 0.00 179.25 177.72 1xpn h TYR 79 N 0.00 0.95 -0.00 0.00 3.20 -1.45 -2.33 116.97 117.34 1xpn h TYR 79 Ca 0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1xpn h TYR 79 Cb 0.75 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1xpn h TYR 79 CO 0.00 1.13 -0.03 0.66 -1.64 0.00 0.00 178.16 178.28 1xpn n TYR 80 N -4.13 0.00 0.09 -3.82 4.01 -0.69 -1.89 117.16 110.73 1xpn n TYR 80 Ca -0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.49 1xpn n TYR 80 Cb 0.58 -0.28 -0.15 0.00 -0.31 0.00 0.00 39.34 39.18 1xpn n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xpn h ALA 81 N 3.43 0.12 -0.03 -0.72 0.00 -1.47 -2.82 119.26 117.78 1xpn h ALA 81 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1xpn h ALA 81 Cb 0.32 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xpn h ALA 81 CO 0.00 0.99 -0.06 0.87 0.00 0.00 0.00 179.25 181.05 1xpn h LYS 82 N 0.10 0.09 0.00 0.00 1.57 -1.33 -3.44 116.57 113.56 1xpn h LYS 82 Ca -0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1xpn h LYS 82 Cb 2.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.39 1xpn h LYS 82 CO 0.20 0.66 0.00 1.19 -0.57 0.00 0.00 179.45 180.93 1xpn n PHE 83 N -4.72 0.00 0.00 -1.35 3.01 -0.79 -4.99 117.46 108.62 1xpn n PHE 83 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1xpn n PHE 83 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xpn n GLY 84 N 3.13 3.63 3.50 1.37 0.00 -1.06 -3.52 105.19 112.24 1xpn n GLY 84 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 6.66 -0.45 1.61 3.84 -1.26 -4.46 114.94 116.88 1xpn s ASN 85 Ca 0.00 -2.02 -0.13 0.00 0.21 0.00 0.00 52.86 50.92 1xpn s ASN 85 Cb 0.00 -2.47 0.08 0.00 -0.55 0.00 0.00 41.25 38.31 1xpn s ASN 85 CO 0.00 -1.17 0.35 -0.22 -2.79 0.00 0.00 177.10 173.27 1xpn s LEU 86 N 3.37 5.46 0.96 3.21 0.20 0.02 -4.95 118.68 126.95 1xpn s LEU 86 Ca 0.40 -1.40 -0.11 0.00 0.69 0.00 0.00 54.13 53.71 1xpn s LEU 86 Cb -0.02 -2.11 0.17 0.00 -0.43 0.00 0.00 46.19 43.79 1xpn s LEU 86 CO -0.07 -0.61 1.11 -0.62 -0.29 0.00 0.00 176.35 175.87 1xpn s ASP 87 N 2.44 2.65 0.51 3.68 2.15 -1.26 0.18 116.67 127.02 1xpn s ASP 87 Ca 0.04 1.92 0.34 0.00 0.43 0.00 0.00 52.55 55.28 1xpn s ASP 87 Cb -0.24 -2.46 1.53 0.00 -0.30 0.00 0.00 42.92 41.45 1xpn s ASP 87 CO 0.05 -3.22 2.01 0.00 -0.17 0.00 0.00 175.17 173.83 1xpn h ALA 88 N -1.95 1.00 0.00 3.66 0.00 -1.56 0.12 119.26 120.52 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 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xpn h ALA 88 CO 0.46 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1xpn h ALA 89 N 2.04 1.00 -0.35 0.00 0.00 -1.85 -2.65 119.26 117.46 1xpn h ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xpn h ALA 89 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xpn h ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1xpn n LYS 90 N -2.93 2.12 -2.25 0.00 4.76 0.39 -4.80 118.16 115.44 1xpn n LYS 90 Ca 0.03 -1.70 -0.33 0.00 -2.87 0.00 0.00 58.31 53.44 1xpn n LYS 90 Cb 0.41 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.54 3.00 -0.09 1.97 6.06 -1.00 -4.89 118.95 122.46 1xpn s ARG 91 Ca 0.35 -1.04 0.02 0.00 -2.50 0.00 0.00 55.73 52.55 1xpn s ARG 91 Cb 0.19 -5.27 -0.02 0.00 0.06 0.00 0.00 34.95 29.92 1xpn s ARG 91 CO 0.27 -3.14 -0.14 0.34 -2.50 0.00 0.00 175.30 170.13 1xpn s ASP 92 N 6.25 3.99 0.42 -2.12 2.15 -1.26 -5.02 116.67 121.08 1xpn s ASP 92 Ca 0.62 -0.28 0.11 0.00 0.43 0.00 0.00 52.55 53.43 1xpn s ASP 92 Cb -0.02 -1.26 0.90 0.00 -0.30 0.00 0.00 42.92 42.25 1xpn s ASP 92 CO 0.03 0.25 1.99 -0.65 -0.17 0.00 0.00 175.17 176.62 1xpn h PRO 93 N 6.09 0.23 -0.00 4.34 0.11 -2.02 -2.58 132.00 138.17 1xpn h PRO 93 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xpn h PRO 93 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xpn h PRO 93 CO 0.53 0.29 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.31 1xpn n ASP 94 N -4.36 0.08 -4.35 -2.05 8.00 -1.26 -4.14 116.55 108.47 1xpn n ASP 94 Ca -0.01 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1xpn n ASP 94 Cb 0.20 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1xpn n ASP 94 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xpn n VAL 95 N -1.38 3.87 -2.88 2.53 0.31 -0.97 -4.97 118.33 114.85 1xpn n VAL 95 Ca 0.10 -3.91 -0.41 0.00 -0.01 0.00 0.00 64.34 60.11 1xpn n VAL 95 Cb 0.30 -2.42 -0.04 0.00 -0.91 0.00 0.00 33.84 30.77 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 3.63 4.52 0.01 5.55 -0.21 -1.26 -4.94 119.66 126.97 1xpn s GLN 96 Ca 0.51 1.18 -0.30 0.00 0.02 0.00 0.00 55.36 56.76 1xpn s GLN 96 Cb 0.06 -3.43 -0.08 0.00 1.00 0.00 0.00 33.01 30.57 1xpn s GLN 96 CO 0.03 0.09 1.83 -2.14 -2.12 0.00 0.00 175.29 172.98 1xpn s PRO 97 N 0.60 4.16 0.84 2.91 0.02 -1.26 -4.98 135.00 137.29 1xpn s PRO 97 Ca 0.44 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.78 1xpn s PRO 97 Cb -0.20 -4.04 0.10 0.00 0.02 0.00 0.00 34.50 30.38 1xpn s PRO 97 CO 0.24 -0.90 1.18 -2.14 -0.33 0.00 0.00 177.00 175.06 1xpn s PRO 98 N 4.12 1.46 -0.89 5.54 0.02 -1.26 -4.87 135.00 139.12 1xpn s PRO 98 Ca 0.82 1.67 -0.25 0.00 0.02 0.00 0.00 61.00 63.27 1xpn s PRO 98 Cb -0.39 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1xpn s PRO 98 CO 0.36 -2.33 1.76 0.08 -0.33 0.00 0.00 177.00 176.55 1xpn s VAL 99 N -2.33 3.58 0.46 3.83 1.01 -1.26 -4.96 120.40 120.74 1xpn s VAL 99 Ca 0.71 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1xpn s VAL 99 Cb -0.26 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 1xpn s VAL 99 CO 0.53 -1.27 0.80 -0.76 0.00 0.00 0.00 175.10 174.40 1xpn s LEU 100 N 8.32 3.67 0.17 3.92 1.43 -1.26 -5.06 118.68 129.87 1xpn s LEU 100 Ca 0.61 1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.45 1xpn s LEU 100 Cb -0.06 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 1xpn s LEU 100 CO 0.00 -0.53 1.02 -0.62 0.23 0.00 0.00 176.35 176.44 1xpn s ASP 101 N -3.76 7.43 0.59 2.29 -1.08 -1.26 -4.93 116.67 115.95 1xpn s ASP 101 Ca 0.49 1.97 0.29 0.00 -0.52 0.00 0.00 52.55 54.78 1xpn s ASP 101 Cb -0.10 -2.60 1.59 0.00 -1.46 0.00 0.00 42.92 40.35 1xpn s ASP 101 CO 0.41 -0.08 1.88 -0.65 0.52 0.00 0.00 175.17 177.25 1xpn h PRO 102 N 4.99 0.00 -0.22 4.34 0.11 -2.02 -2.04 132.00 137.17 1xpn h PRO 102 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 1xpn h PRO 102 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xpn h PRO 102 CO 0.71 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 178.66 1xpn h ARG 103 N 0.00 0.00 -0.60 1.05 3.08 -2.01 0.07 114.38 115.98 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 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1xpn h ARG 103 CO 0.00 0.00 0.27 0.07 -1.07 0.00 0.00 179.97 179.24 1xpn h ARG 104 N 0.00 0.85 0.00 0.04 0.11 -1.77 -0.83 114.38 112.78 1xpn h ARG 104 Ca 0.10 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1xpn h ARG 104 Cb 0.43 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1xpn h ARG 104 CO -0.00 0.67 0.00 0.00 0.10 0.00 0.00 179.97 180.74 1xpn n ALA 105 N -2.45 2.01 0.05 0.08 0.00 0.01 0.32 120.51 120.53 1xpn n ALA 105 Ca 0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1xpn n ALA 105 Cb 0.14 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 1xpn n ALA 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xpn h THR 106 N 0.00 0.86 0.21 0.00 2.02 -1.11 -3.38 112.91 111.51 1xpn h THR 106 Ca 0.00 -2.49 -0.33 0.00 0.77 0.00 0.00 66.41 64.36 1xpn h THR 106 Cb 0.29 2.68 0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1xpn h THR 106 CO 0.00 0.86 -1.52 1.88 0.37 0.00 0.00 175.52 177.11 1xpn h TYR 107 N 0.09 0.80 -2.73 3.16 0.05 -1.05 -3.45 116.97 113.85 1xpn h TYR 107 Ca -0.36 -0.58 -0.55 0.00 0.05 0.00 0.00 58.73 57.29 1xpn h TYR 107 Cb 2.08 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.77 1xpn h TYR 107 CO 0.09 1.59 1.00 0.08 -1.05 0.00 0.00 178.16 179.87 1xpn s VAL 108 N -2.56 3.70 0.01 -2.88 1.01 0.15 -4.92 120.40 114.90 1xpn s VAL 108 Ca -0.13 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1xpn s VAL 108 Cb 0.04 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1xpn s VAL 108 CO 0.89 -0.06 0.12 -0.13 0.00 0.00 0.00 175.10 175.92 1xpn s ARG 109 N 3.53 3.18 -0.00 2.72 0.52 -1.16 -4.76 118.95 122.98 1xpn s ARG 109 Ca 0.68 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 1xpn s ARG 109 Cb -0.31 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1xpn s ARG 109 CO 0.26 0.64 -0.07 -1.21 0.02 0.00 0.00 175.30 174.95 1xpn s GLU 110 N -1.93 2.57 0.25 3.54 2.02 -1.26 -0.97 118.70 122.92 1xpn s GLU 110 Ca 0.26 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.63 1xpn s GLU 110 Cb -0.12 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1xpn s GLU 110 CO 0.17 0.61 -0.14 0.00 0.02 0.00 0.00 175.26 175.92 1xpn s ALA 111 N -0.97 2.34 -0.20 5.21 0.00 0.14 -4.96 121.76 123.31 1xpn s ALA 111 Ca 0.16 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 1xpn s ALA 111 Cb -0.11 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.98 1xpn s ALA 111 CO 0.07 0.11 0.06 0.99 0.00 0.00 0.00 175.76 176.99 1xpn s THR 112 N -2.82 0.32 0.29 0.00 2.01 -1.26 -0.42 115.64 113.76 1xpn s THR 112 Ca 0.26 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1xpn s THR 112 Cb -0.01 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.48 1xpn s THR 112 CO 0.11 -0.29 1.29 0.42 -0.69 0.00 0.00 174.62 175.45 1xpn s THR 113 N 1.95 2.93 0.00 -0.82 -4.23 -0.69 -4.82 115.64 109.96 1xpn s THR 113 Ca 0.01 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1xpn s THR 113 Cb -0.17 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1xpn s THR 113 CO -0.11 0.19 0.00 -0.67 -0.54 0.00 0.00 174.62 173.48 1xpn n ASP 114 N 1.41 0.00 -0.11 3.99 2.03 -1.26 -0.57 116.55 122.03 1xpn n ASP 114 Ca 0.02 -0.10 0.19 0.00 0.52 0.00 0.00 54.79 55.42 1xpn n ASP 114 Cb 0.42 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.42 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xpn h GLN 115 N 0.00 0.21 0.00 -0.67 4.15 -1.96 0.14 115.11 116.98 1xpn h GLN 115 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xpn h GLN 115 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1xpn h GLN 115 CO 0.00 0.14 0.00 0.09 -1.93 0.00 0.00 178.83 177.13 1xpn n ASN 116 N -4.42 0.75 -3.56 -0.69 4.13 -1.26 -4.79 115.26 105.42 1xpn n ASN 116 Ca 0.14 0.61 -0.22 0.00 1.68 0.00 0.00 54.58 56.79 1xpn n ASN 116 Cb 0.62 -0.80 0.08 0.00 -1.54 0.00 0.00 39.78 38.14 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 117 N 0.78 -0.47 3.01 7.41 0.00 0.04 -4.92 105.19 111.04 1xpn n GLY 117 Ca 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.99 0.42 0.03 1.61 3.52 -1.26 -1.90 118.95 115.39 1xpn s ARG 118 Ca 0.37 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1xpn s ARG 118 Cb -0.16 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.04 1xpn s ARG 118 CO 0.74 0.02 0.04 -0.59 -0.81 0.00 0.00 175.30 174.70 1xpn s PHE 119 N -1.17 0.27 -0.01 5.12 -0.71 -0.39 -4.35 117.98 116.74 1xpn s PHE 119 Ca -0.10 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.14 1xpn s PHE 119 Cb -0.08 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.53 1xpn s PHE 119 CO -0.00 -0.32 0.12 0.16 -1.34 0.00 0.00 175.22 173.85 1xpn s ASP 120 N -2.05 0.02 0.05 1.98 1.47 -1.26 -0.15 116.67 116.74 1xpn s ASP 120 Ca -0.06 -0.15 0.01 0.00 1.18 0.00 0.00 52.55 53.53 1xpn s ASP 120 Cb -0.02 0.21 -0.03 0.00 -0.34 0.00 0.00 42.92 42.74 1xpn s ASP 120 CO -0.04 -0.31 -0.06 -0.36 0.68 0.00 0.00 175.17 175.07 1xpn s PHE 121 N -1.15 0.65 0.26 2.11 0.08 -0.57 -5.00 117.98 114.36 1xpn s PHE 121 Ca -0.12 -0.66 -0.00 0.00 0.12 0.00 0.00 56.93 56.26 1xpn s PHE 121 Cb -0.07 -0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 1xpn s PHE 121 CO 0.01 -0.14 0.26 0.16 -0.10 0.00 0.00 175.22 175.41 1xpn s ASP 122 N -2.05 0.67 -1.14 1.36 -4.77 -1.26 -1.25 116.67 108.23 1xpn s ASP 122 Ca -0.04 -1.46 -0.02 0.00 -3.30 0.00 0.00 52.55 47.73 1xpn s ASP 122 Cb -0.05 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.28 1xpn s ASP 122 CO -0.02 -1.00 0.96 1.41 0.70 0.00 0.00 175.17 177.22 1xpn n HIS 123 N -0.43 -2.17 -5.17 2.11 8.25 -1.23 -4.96 115.22 111.62 1xpn n HIS 123 Ca 0.03 0.89 -0.31 0.00 -0.26 0.00 0.00 57.72 58.07 1xpn n HIS 123 Cb 0.64 -4.83 -0.17 0.00 1.12 0.00 0.00 29.99 26.75 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 -3.32 1.96 0.78 1.59 1.01 -1.21 -4.31 121.20 117.70 1xpn s ILE 124 Ca 0.12 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1xpn s ILE 124 Cb -0.05 -1.70 0.07 0.00 0.01 0.00 0.00 42.46 40.78 1xpn s ILE 124 CO 0.68 0.54 1.12 -2.16 0.00 0.00 0.00 174.94 175.12 1xpn s PRO 125 N 0.27 2.05 0.21 2.79 0.04 -1.25 -0.83 135.00 138.27 1xpn s PRO 125 Ca -0.16 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 1xpn s PRO 125 Cb -0.17 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1xpn s PRO 125 CO 0.07 -1.83 0.72 0.54 0.04 0.00 0.00 177.00 176.55 1xpn s ASN 126 N -2.92 7.09 0.00 6.66 4.22 -1.26 -4.85 114.94 123.88 1xpn s ASN 126 Ca 0.65 1.43 0.00 0.00 -2.14 0.00 0.00 52.86 52.80 1xpn s ASN 126 Cb -0.20 -2.42 0.00 0.00 1.28 0.00 0.00 41.25 39.90 1xpn s ASN 126 CO 0.53 0.07 0.00 0.61 -2.04 0.00 0.00 177.10 176.26 1xpn n GLY 127 N 0.89 -0.49 3.65 0.45 0.00 -0.33 -4.99 105.19 104.36 1xpn n GLY 127 Ca -0.03 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.13 4.97 0.06 2.61 -4.23 -1.26 -1.21 115.64 113.46 1xpn s THR 128 Ca 0.00 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1xpn s THR 128 Cb 0.00 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1xpn s THR 128 CO 0.00 0.43 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.08 1xpn s TYR 129 N 0.53 1.04 -0.25 3.99 2.02 -0.24 -2.17 117.35 122.26 1xpn s TYR 129 Ca 0.05 -0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1xpn s TYR 129 Cb -0.12 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1xpn s TYR 129 CO 0.01 0.01 0.09 0.71 -1.57 0.00 0.00 175.55 174.79 1xpn s TYR 130 N -1.31 3.10 -0.51 2.71 2.02 0.14 0.24 117.35 123.74 1xpn s TYR 130 Ca -0.05 -0.34 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 1xpn s TYR 130 Cb -0.10 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1xpn s TYR 130 CO 0.02 -0.33 0.61 0.42 -1.57 0.00 0.00 175.55 174.70 1xpn s ILE 131 N 1.62 4.90 -0.17 2.71 1.01 0.02 -0.17 121.20 131.13 1xpn s ILE 131 Ca 0.06 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xpn s ILE 131 Cb -0.15 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1xpn s ILE 131 CO 0.05 -0.82 -0.02 -0.94 0.00 0.00 0.00 174.94 173.21 1xpn s SER 132 N 2.79 4.90 -0.17 3.58 1.04 -0.31 -1.06 113.70 124.46 1xpn s SER 132 Ca 0.14 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.37 1xpn s SER 132 Cb -0.20 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 64.18 1xpn s SER 132 CO 0.11 0.14 0.38 -0.55 0.98 0.00 0.00 173.24 174.30 1xpn s SER 133 N 0.51 -0.25 -0.81 7.02 0.15 -0.18 -1.06 113.70 119.09 1xpn s SER 133 Ca -0.02 0.86 -0.15 0.00 0.70 0.00 0.00 55.95 57.34 1xpn s SER 133 Cb -0.14 0.98 0.19 0.00 -1.71 0.00 0.00 66.02 65.35 1xpn s SER 133 CO 0.02 -0.22 0.79 -1.83 1.20 0.00 0.00 173.24 173.21 1xpn s GLU 134 N 2.06 3.53 -0.55 5.44 -1.05 -1.25 -0.31 118.70 126.56 1xpn s GLU 134 Ca -0.05 -2.25 -0.15 0.00 -0.15 0.00 0.00 54.97 52.37 1xpn s GLU 134 Cb -0.11 -4.48 0.14 0.00 -0.44 0.00 0.00 34.13 29.24 1xpn s GLU 134 CO -0.12 -1.37 0.49 -1.17 0.95 0.00 0.00 175.26 174.05 1xpn s LEU 135 N 0.74 6.15 -0.03 1.83 2.96 -0.37 -4.83 118.68 125.12 1xpn s LEU 135 Ca 0.18 -1.88 0.07 0.00 -0.22 0.00 0.00 54.13 52.28 1xpn s LEU 135 Cb -0.12 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1xpn s LEU 135 CO -0.07 -0.81 -0.24 0.28 -1.32 0.00 0.00 176.35 174.18 1xpn s THR 136 N 1.45 1.95 0.06 3.68 -1.32 -1.26 -1.32 115.64 118.89 1xpn s THR 136 Ca 0.05 -1.04 0.03 0.00 -1.21 0.00 0.00 61.69 59.52 1xpn s THR 136 Cb -0.28 -1.64 -0.03 0.00 -1.51 0.00 0.00 72.50 69.05 1xpn s THR 136 CO 0.02 0.55 -0.10 -1.66 -2.21 0.00 0.00 174.62 171.21 1xpn s TRP 137 N -0.41 0.91 -0.26 9.09 -2.14 -0.77 -4.94 118.94 120.43 1xpn s TRP 137 Ca 0.04 -0.53 -0.13 0.00 2.66 0.00 0.00 56.10 58.14 1xpn s TRP 137 Cb -0.11 -0.52 -0.04 0.00 -3.10 0.00 0.00 33.47 29.70 1xpn s TRP 137 CO 0.01 -0.03 0.29 -1.54 -2.66 0.00 0.00 176.95 173.01 1xpn s SER 138 N -1.84 6.18 -0.27 -2.66 1.04 -1.26 -0.63 113.70 114.26 1xpn s SER 138 Ca -0.04 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1xpn s SER 138 Cb -0.08 -2.17 0.03 0.00 0.10 0.00 0.00 66.02 63.90 1xpn s SER 138 CO 0.01 -0.09 -0.01 0.00 0.98 0.00 0.00 173.24 174.13 1xpn s ALA 139 N 1.74 2.83 -0.95 5.32 0.00 0.17 -4.91 121.76 125.96 1xpn s ALA 139 Ca 0.12 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 1xpn s ALA 139 Cb -0.15 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.15 1xpn s ALA 139 CO 0.09 -0.93 1.38 -0.65 0.00 0.00 0.00 175.76 175.65 1xpn s GLN 140 N 1.36 3.50 -0.43 0.00 -0.21 -1.26 -0.69 119.66 121.94 1xpn s GLN 140 Ca -0.00 -0.99 -0.14 0.00 0.02 0.00 0.00 55.36 54.24 1xpn s GLN 140 Cb -0.17 -5.06 0.04 0.00 1.00 0.00 0.00 33.01 28.82 1xpn s GLN 140 CO -0.02 -2.15 0.32 -1.12 -2.12 0.00 0.00 175.29 170.20 1xpn s SER 141 N 4.59 6.06 -0.64 5.90 0.01 0.76 -4.33 113.70 126.05 1xpn s SER 141 Ca 0.42 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1xpn s SER 141 Cb -0.02 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1xpn s SER 141 CO -0.04 -0.51 0.00 0.47 0.41 0.00 0.00 173.24 173.57 1xpn n ASP 142 N 5.15 -4.97 0.00 2.44 8.00 -1.26 -0.81 116.55 125.09 1xpn n ASP 142 Ca -0.11 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1xpn n ASP 142 Cb 0.46 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 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 -0.59 2.01 3.51 0.44 0.00 -1.26 -5.06 105.19 104.25 1xpn n GLY 143 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.52 3.25 -0.74 1.61 1.02 0.01 -5.01 119.74 119.36 1xpn s LYS 144 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 1xpn s LYS 144 Cb 0.00 -3.96 0.04 0.00 -0.52 0.00 0.00 37.83 33.39 1xpn s LYS 144 CO 0.00 -1.00 1.24 0.99 -0.92 0.00 0.00 175.35 175.65 1xpn s THR 145 N 2.75 3.84 0.14 2.17 2.01 -1.26 -0.17 115.64 125.11 1xpn s THR 145 Ca 0.21 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 1xpn s THR 145 Cb -0.15 -4.89 -0.05 0.00 0.01 0.00 0.00 72.50 67.42 1xpn s THR 145 CO 0.18 -1.80 0.36 0.27 -0.69 0.00 0.00 174.62 172.94 1xpn s ILE 146 N 5.40 5.20 -0.43 1.82 -4.36 0.14 -4.83 121.20 124.13 1xpn s ILE 146 Ca 0.33 -0.05 -0.08 0.00 -0.26 0.00 0.00 60.65 60.59 1xpn s ILE 146 Cb -0.09 -3.63 0.09 0.00 1.25 0.00 0.00 42.46 40.08 1xpn s ILE 146 CO 0.13 0.03 0.28 -0.89 0.24 0.00 0.00 174.94 174.72 1xpn s THR 147 N -1.66 4.09 0.65 8.37 2.01 -1.26 0.42 115.64 128.26 1xpn s THR 147 Ca 0.40 -1.60 0.06 0.00 0.31 0.00 0.00 61.69 60.86 1xpn s THR 147 Cb -0.12 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 68.91 1xpn s THR 147 CO 0.25 -0.61 0.90 -1.61 -0.69 0.00 0.00 174.62 172.87 1xpn s GLU 148 N 1.37 1.97 2.98 4.92 2.02 0.19 -4.56 118.70 127.58 1xpn s GLU 148 Ca 0.04 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1xpn s GLU 148 Cb -0.24 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1xpn s GLU 148 CO 0.00 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1xpn n GLY 149 N -2.53 -0.41 0.00 -1.39 0.00 -1.26 -1.84 105.19 97.75 1xpn n GLY 149 Ca 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.92 3.49 -0.02 0.00 -0.43 -1.60 105.19 107.55 1xpn n GLY 150 Ca 0.00 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.43 4.30 -0.08 2.61 2.01 0.13 -1.24 115.64 120.94 1xpn s THR 151 Ca 0.00 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 1xpn s THR 151 Cb 0.00 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 67.82 1xpn s THR 151 CO 0.00 -1.34 0.41 0.54 -0.69 0.00 0.00 174.62 173.53 1xpn s VAL 152 N 4.14 5.16 -0.16 3.82 0.11 0.57 -0.80 120.40 133.23 1xpn s VAL 152 Ca 0.27 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 1xpn s VAL 152 Cb -0.14 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.01 1xpn s VAL 152 CO 0.14 0.44 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.36 1xpn s THR 153 N -0.08 1.46 -0.17 5.04 2.01 -1.25 -1.01 115.64 121.64 1xpn s THR 153 Ca 0.23 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1xpn s THR 153 Cb -0.15 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1xpn s THR 153 CO 0.10 0.29 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.75 1xpn s LYS 154 N 1.50 3.60 -0.65 4.92 -0.14 -0.23 -4.84 119.74 123.92 1xpn s LYS 154 Ca 0.02 -0.55 -0.26 0.00 -1.36 0.00 0.00 55.97 53.82 1xpn s LYS 154 Cb -0.14 -2.93 0.04 0.00 -1.68 0.00 0.00 37.83 33.11 1xpn s LYS 154 CO -0.09 0.15 1.16 -1.17 -0.76 0.00 0.00 175.35 174.63 1xpn s LEU 155 N 0.61 3.56 -0.31 3.17 2.96 -1.26 -0.80 118.68 126.61 1xpn s LEU 155 Ca -0.03 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 1xpn s LEU 155 Cb -0.14 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 1xpn s LEU 155 CO 0.02 -1.57 0.52 -0.69 -1.32 0.00 0.00 176.35 173.31 1xpn s VAL 156 N 4.98 5.03 -0.63 1.68 1.01 0.14 -4.92 120.40 127.69 1xpn s VAL 156 Ca 0.35 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 1xpn s VAL 156 Cb -0.10 -3.91 0.16 0.00 0.00 0.00 0.00 36.38 32.53 1xpn s VAL 156 CO 0.19 -0.09 0.57 -0.89 0.00 0.00 0.00 175.10 174.87 1xpn s THR 157 N 2.39 5.23 -0.57 3.92 2.01 -1.26 -1.08 115.64 126.27 1xpn s THR 157 Ca 0.20 -1.85 -0.23 0.00 0.31 0.00 0.00 61.69 60.12 1xpn s THR 157 Cb -0.15 -4.32 0.05 0.00 0.01 0.00 0.00 72.50 68.09 1xpn s THR 157 CO 0.12 -0.91 0.90 -0.69 -0.69 0.00 0.00 174.62 173.35 1xpn s VAL 158 N 1.10 4.44 0.31 3.82 1.01 -0.35 -4.91 120.40 125.83 1xpn s VAL 158 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1xpn s VAL 158 Cb -0.23 -4.54 0.14 0.00 0.00 0.00 0.00 36.38 31.75 1xpn s VAL 158 CO -0.01 -1.15 1.83 0.77 0.00 0.00 0.00 175.10 176.54 1xpn h SER 159 N 9.33 0.59 -0.01 3.32 4.64 -1.95 -0.87 113.55 128.60 1xpn h SER 159 Ca -0.27 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xpn h SER 159 Cb 1.08 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1xpn h SER 159 CO 1.09 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 178.32 1xpn n GLY 160 N -0.80 2.23 2.35 -0.77 0.00 -1.26 -4.80 105.19 102.15 1xpn n GLY 160 Ca 0.02 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1xpn n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpn n SER 161 N -0.01 8.55 -4.58 1.61 7.64 -1.26 -4.44 113.62 121.13 1xpn n SER 161 Ca 0.00 -2.66 -0.29 0.00 1.01 0.00 0.00 58.87 56.93 1xpn n SER 161 Cb 0.00 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 61.57 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 1.71 2.11 -0.94 1.43 -0.21 -1.26 -4.69 119.66 117.81 1xpn s GLN 162 Ca 0.67 -1.09 -0.24 0.00 0.02 0.00 0.00 55.36 54.72 1xpn s GLN 162 Cb 0.18 -2.27 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1xpn s GLN 162 CO -0.07 0.49 1.60 -1.25 -2.12 0.00 0.00 175.29 173.94 1xpn s PRO 163 N -2.38 3.20 -0.15 2.91 0.04 -1.26 -2.36 135.00 135.01 1xpn s PRO 163 Ca 0.22 -0.71 -0.12 0.00 0.04 0.00 0.00 61.00 60.43 1xpn s PRO 163 Cb -0.10 -5.12 -0.05 0.00 0.04 0.00 0.00 34.50 29.27 1xpn s PRO 163 CO 0.14 -2.57 0.23 -1.14 0.04 0.00 0.00 177.00 173.70 1xpn s GLN 164 N 5.74 4.06 -0.30 4.56 0.74 0.69 -4.94 119.66 130.21 1xpn s GLN 164 Ca 0.53 -0.01 -0.12 0.00 0.05 0.00 0.00 55.36 55.81 1xpn s GLN 164 Cb -0.03 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1xpn s GLN 164 CO -0.04 0.40 0.25 0.21 -0.55 0.00 0.00 175.29 175.56 1xpn s LYS 165 N 0.03 3.78 -0.18 1.67 2.20 -1.26 -0.35 119.74 125.62 1xpn s LYS 165 Ca 0.14 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1xpn s LYS 165 Cb -0.13 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1xpn s LYS 165 CO 0.03 -0.31 -0.02 0.08 -0.36 0.00 0.00 175.35 174.77 1xpn s VAL 166 N 1.81 3.88 -0.61 4.02 1.01 0.14 -4.94 120.40 125.71 1xpn s VAL 166 Ca 0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1xpn s VAL 166 Cb -0.16 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1xpn s VAL 166 CO 0.11 0.45 0.79 -0.76 0.00 0.00 0.00 175.10 175.70 1xpn s LEU 167 N 0.77 5.01 -1.15 3.92 1.43 -1.26 -0.51 118.68 126.88 1xpn s LEU 167 Ca -0.01 -1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 1xpn s LEU 167 Cb -0.14 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1xpn s LEU 167 CO 0.02 -1.22 1.58 -0.22 0.23 0.00 0.00 176.35 176.74 1xpn s LEU 168 N 3.17 3.67 0.10 1.79 2.96 0.54 -4.92 118.68 126.00 1xpn s LEU 168 Ca 0.16 -1.91 0.01 0.00 -0.22 0.00 0.00 54.13 52.16 1xpn s LEU 168 Cb -0.21 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1xpn s LEU 168 CO 0.08 -1.35 -0.04 0.28 -1.32 0.00 0.00 176.35 174.01 1xpn s THR 169 N 4.61 0.52 0.00 3.68 -1.32 -1.25 -1.07 115.64 120.79 1xpn s THR 169 Ca 0.49 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1xpn s THR 169 Cb 0.02 -1.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 1xpn s THR 169 CO -0.02 -0.81 0.00 -1.14 -2.21 0.00 0.00 174.62 170.44