#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn n SER 2 N 0.00 1.18 0.20 1.61 7.64 -1.26 -3.85 113.62 119.14 1xpn n SER 2 Ca 0.00 -2.07 0.06 0.00 1.01 0.00 0.00 58.87 57.87 1xpn n SER 2 Cb 0.00 -0.30 0.56 0.00 -1.01 0.00 0.00 64.21 63.45 1xpn n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1xpn h SER 3 N 0.64 0.10 -3.40 6.43 0.02 -2.09 -3.39 113.55 111.86 1xpn h SER 3 Ca 0.00 -0.01 -0.64 0.00 -0.84 0.00 0.00 61.79 60.30 1xpn h SER 3 Cb 0.44 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 62.74 1xpn h SER 3 CO 0.04 0.13 -0.65 -1.38 -1.14 0.00 0.00 176.83 173.82 1xpn s HIS 4 N -5.03 3.05 -0.11 3.45 -0.00 -1.25 -4.78 115.29 110.63 1xpn s HIS 4 Ca -0.05 -0.38 -0.02 0.00 -0.00 0.00 0.00 55.06 54.61 1xpn s HIS 4 Cb 0.17 -2.06 0.01 0.00 -0.00 0.00 0.00 32.58 30.70 1xpn s HIS 4 CO 0.69 -0.16 0.04 0.72 -0.00 0.00 0.00 174.74 176.02 1xpn n HIS 5 N 4.04 -1.78 -3.98 0.38 -0.00 -1.26 -5.03 115.22 107.59 1xpn n HIS 5 Ca -0.17 0.88 -0.32 0.00 -0.00 0.00 0.00 57.72 58.12 1xpn n HIS 5 Cb 0.52 -2.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.90 1xpn n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 6 N -0.55 3.40 -1.17 4.41 4.02 -1.26 -4.90 115.29 119.24 1xpn s HIS 6 Ca -0.04 0.22 -0.22 0.00 1.02 0.00 0.00 55.06 56.03 1xpn s HIS 6 Cb 0.00 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.58 29.77 1xpn s HIS 6 CO 0.34 0.58 1.90 -1.01 1.02 0.00 0.00 174.74 177.56 1xpn s HIS 7 N -1.39 2.07 -0.04 1.40 3.76 -1.26 -4.90 115.29 114.92 1xpn s HIS 7 Ca 0.30 0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1xpn s HIS 7 Cb -0.13 -4.13 -0.03 0.00 1.11 0.00 0.00 32.58 29.41 1xpn s HIS 7 CO 0.22 -1.36 -0.11 -1.01 -0.85 0.00 0.00 174.74 171.63 1xpn s HIS 8 N 9.85 2.79 -0.35 1.40 4.02 -1.26 -5.00 115.29 126.74 1xpn s HIS 8 Ca 0.66 -0.09 0.04 0.00 1.02 0.00 0.00 55.06 56.69 1xpn s HIS 8 Cb -0.01 -1.64 0.44 0.00 -1.02 0.00 0.00 32.58 30.35 1xpn s HIS 8 CO 0.11 0.26 1.49 1.58 1.02 0.00 0.00 174.74 179.20 1xpn n HIS 9 N 2.16 1.75 -2.44 1.40 -0.00 -1.26 -4.78 115.22 112.04 1xpn n HIS 9 Ca -0.17 -1.10 -0.43 0.00 -0.00 0.00 0.00 57.72 56.02 1xpn n HIS 9 Cb 0.52 -0.60 0.00 0.00 -0.00 0.00 0.00 29.99 29.92 1xpn n HIS 9 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1xpn n SER 10 N -0.27 4.77 -0.80 0.26 3.41 -1.26 -4.55 113.62 115.17 1xpn n SER 10 Ca 0.32 -2.93 0.12 0.00 -0.26 0.00 0.00 58.87 56.12 1xpn n SER 10 Cb 1.13 -1.67 0.30 0.00 -0.26 0.00 0.00 64.21 63.70 1xpn n SER 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xpn n SER 11 N 6.98 2.44 0.00 4.04 3.41 -1.26 -5.04 113.62 124.19 1xpn n SER 11 Ca 0.47 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1xpn n SER 11 Cb 0.43 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1xpn n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 12 N 1.30 0.53 2.04 5.00 0.00 -1.26 -5.01 105.19 107.79 1xpn n GLY 12 Ca 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1xpn n GLY 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xpn n LEU 13 N 0.00 -0.94 -3.76 0.99 -0.00 -1.26 -5.10 117.00 106.94 1xpn n LEU 13 Ca 0.00 0.54 -0.22 0.00 -0.00 0.00 0.00 56.01 56.33 1xpn n LEU 13 Cb 0.00 1.06 -0.18 0.00 -0.00 0.00 0.00 43.42 44.30 1xpn n LEU 13 CO 0.00 -0.56 -0.38 0.68 -0.00 0.00 0.00 177.39 177.13 1xpn s VAL 14 N -2.00 0.28 0.14 1.47 -7.23 -1.26 -5.03 120.40 106.77 1xpn s VAL 14 Ca 0.00 0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 60.20 1xpn s VAL 14 Cb 0.00 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.50 1xpn s VAL 14 CO 0.00 0.24 1.62 1.55 -0.31 0.00 0.00 175.10 178.20 1xpn h PRO 15 N 8.24 0.79 0.00 4.82 0.13 -1.98 -3.46 132.00 140.54 1xpn h PRO 15 Ca -0.20 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xpn h PRO 15 Cb 1.13 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xpn h PRO 15 CO 0.26 0.81 0.00 -2.13 -0.23 0.00 0.00 178.00 176.71 1xpn n ARG 16 N -4.43 0.00 -2.64 0.86 0.63 -1.26 -2.19 116.66 107.63 1xpn n ARG 16 Ca 0.01 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 1xpn n ARG 16 Cb 0.26 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.16 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 0.00 5.33 0.00 5.14 0.00 -1.26 -5.03 105.19 109.37 1xpn n GLY 17 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.35 0.01 0.00 1.61 3.41 -0.93 -4.72 113.62 112.65 1xpn n SER 18 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1xpn n SER 18 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 0.00 -2.27 7.33 8.25 -1.26 -4.86 115.22 122.41 1xpn n HIS 19 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1xpn n HIS 19 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 0.00 3.06 0.00 -0.41 0.00 -1.26 -4.12 119.30 116.56 1xpn s MET 20 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 55.69 54.35 1xpn s MET 20 Cb 0.00 -5.33 0.00 0.00 0.00 0.00 0.00 34.83 29.50 1xpn s MET 20 CO 0.00 -3.24 0.55 0.00 0.00 0.00 0.00 175.02 172.33 1xpn n ALA 21 N 12.03 1.71 1.52 4.11 0.00 -1.26 -4.89 120.51 133.73 1xpn n ALA 21 Ca 0.45 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1xpn n ALA 21 Cb 0.47 -0.14 0.55 0.00 0.00 0.00 0.00 19.45 20.32 1xpn n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xpn n SER 22 N 0.00 1.41 -4.08 0.00 2.88 -1.26 -4.75 113.62 107.82 1xpn n SER 22 Ca 0.00 -1.48 -0.32 0.00 -1.33 0.00 0.00 58.87 55.74 1xpn n SER 22 Cb 0.56 -0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.85 1xpn n SER 22 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1xpn s ASN 23 N -1.98 3.18 -0.50 -3.46 3.04 -1.26 -5.07 114.94 108.88 1xpn s ASN 23 Ca 0.38 -0.71 -0.27 0.00 0.04 0.00 0.00 52.86 52.31 1xpn s ASN 23 Cb 0.21 -1.40 -0.04 0.00 -1.54 0.00 0.00 41.25 38.48 1xpn s ASN 23 CO 0.33 -0.04 2.11 -2.16 -3.04 0.00 0.00 177.10 174.30 1xpn s PRO 24 N 1.33 2.53 0.00 0.43 0.04 -1.26 -4.62 135.00 133.44 1xpn s PRO 24 Ca 0.03 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1xpn s PRO 24 Cb -0.14 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1xpn s PRO 24 CO -0.11 -2.81 0.00 -1.71 0.04 0.00 0.00 177.00 172.41 1xpn n ASN 25 N 13.69 0.19 0.00 6.66 5.15 -1.26 -5.03 115.26 134.65 1xpn n ASN 25 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1xpn n ASN 25 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1xpn n ASN 25 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1xpn n ASP 26 N -2.66 0.00 -4.10 1.20 9.92 -1.26 -4.99 116.55 114.65 1xpn n ASP 26 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 1xpn n ASP 26 Cb 0.24 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.57 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xpn s LEU 27 N -1.84 3.74 0.01 0.64 1.43 -1.26 -4.98 118.68 116.42 1xpn s LEU 27 Ca 0.00 -1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 51.54 1xpn s LEU 27 Cb 0.00 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 1xpn s LEU 27 CO 0.00 -0.24 0.40 -2.16 0.23 0.00 0.00 176.35 174.58 1xpn s PRO 28 N 1.14 3.87 0.37 1.29 0.04 -1.26 -4.99 135.00 135.46 1xpn s PRO 28 Ca -0.06 0.36 0.26 0.00 0.04 0.00 0.00 61.00 61.60 1xpn s PRO 28 Cb -0.20 -3.18 0.77 0.00 0.04 0.00 0.00 34.50 31.93 1xpn s PRO 28 CO -0.04 0.68 1.75 0.22 0.04 0.00 0.00 177.00 179.64 1xpn h ASP 29 N 4.56 0.00 0.63 6.66 3.58 -1.99 -3.36 116.42 126.50 1xpn h ASP 29 Ca -0.51 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.90 1xpn h ASP 29 Cb 1.22 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.27 1xpn h ASP 29 CO 0.62 0.00 -0.30 -0.26 -2.88 0.00 0.00 179.24 176.42 1xpn h PHE 30 N 0.00 -0.79 0.00 0.28 0.04 -2.04 -3.15 116.94 111.29 1xpn h PHE 30 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1xpn h PHE 30 Cb 0.74 0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1xpn h PHE 30 CO 0.00 -0.46 0.00 -0.35 -0.60 0.00 0.00 178.31 176.90 1xpn n PRO 31 N -5.43 0.98 -0.81 1.51 -0.04 -1.26 -4.23 135.00 125.72 1xpn n PRO 31 Ca -0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 1xpn n PRO 31 Cb 0.36 -1.42 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1xpn n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xpn n GLU 32 N 0.08 1.61 -0.03 0.54 0.00 -1.19 -3.82 120.64 117.84 1xpn n GLU 32 Ca 0.00 -1.15 0.13 0.00 0.00 0.00 0.00 57.16 56.13 1xpn n GLU 32 Cb 0.28 -1.47 0.28 0.00 0.00 0.00 0.00 31.44 30.52 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 0.74 0.07 0.17 4.31 -0.00 -1.26 -4.58 115.22 114.67 1xpn n HIS 33 Ca 0.23 -0.03 0.12 0.00 0.46 0.00 0.00 57.72 58.49 1xpn n HIS 33 Cb 0.56 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.48 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 3.69 0.00 -0.02 1.57 5.08 -1.96 -3.33 114.58 119.61 1xpn h GLU 34 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1xpn h GLU 34 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1xpn h GLU 34 CO 0.00 0.00 -0.36 1.88 -1.00 0.00 0.00 179.01 179.53 1xpn h TYR 35 N 0.00 0.05 -0.29 4.33 -1.99 -1.91 -2.12 116.97 115.04 1xpn h TYR 35 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1xpn h TYR 35 Cb 0.98 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.69 1xpn h TYR 35 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 178.16 178.57 1xpn n ALA 36 N -2.47 2.47 0.09 3.88 0.00 -1.25 -3.92 120.51 119.30 1xpn n ALA 36 Ca -0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1xpn n ALA 36 Cb 0.41 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 3.76 0.27 -1.74 0.00 0.00 -1.55 -3.42 119.26 116.58 1xpn h ALA 37 Ca 0.00 -0.83 -0.56 0.00 0.00 0.00 0.00 54.91 53.52 1xpn h ALA 37 Cb 0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1xpn h ALA 37 CO 0.00 0.99 0.89 0.95 0.00 0.00 0.00 179.25 182.08 1xpn s THR 38 N -2.87 4.23 0.37 0.00 -4.23 -1.25 -4.96 115.64 106.92 1xpn s THR 38 Ca -0.03 1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 61.57 1xpn s THR 38 Cb 0.08 -4.59 0.03 0.00 1.34 0.00 0.00 72.50 69.36 1xpn s THR 38 CO 0.86 -1.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.55 1xpn n GLN 39 N 7.79 0.89 -2.00 3.99 10.64 -1.26 -5.10 117.38 132.33 1xpn n GLN 39 Ca 0.11 -2.52 -0.02 0.00 -1.83 0.00 0.00 57.00 52.74 1xpn n GLN 39 Cb 0.49 2.71 -0.02 0.00 -0.86 0.00 0.00 30.24 32.56 1xpn n GLN 39 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1xpn n GLN 40 N -0.55 -2.82 -1.61 2.61 -0.06 -1.26 -4.79 117.38 108.89 1xpn n GLN 40 Ca -0.04 2.30 -0.50 0.00 -2.00 0.00 0.00 57.00 56.76 1xpn n GLN 40 Cb 0.58 -3.21 -0.05 0.00 -4.06 0.00 0.00 30.24 23.50 1xpn n GLN 40 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1xpn n VAL 41 N 1.02 0.00 -3.19 1.69 3.14 -1.26 -4.13 118.33 115.60 1xpn n VAL 41 Ca -0.16 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1xpn n VAL 41 Cb 0.24 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 1xpn n VAL 41 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xpn n GLY 42 N 2.79 4.82 0.80 7.55 0.00 -1.21 -4.74 105.19 115.21 1xpn n GLY 42 Ca 0.18 -2.11 0.05 0.00 0.00 0.00 0.00 46.02 44.14 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 5.00 2.70 3.56 -0.02 0.00 -1.00 -2.53 105.19 112.90 1xpn n GLY 43 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.29 0.56 -0.56 -0.02 0.00 0.72 -4.31 107.32 101.44 1xpn s GLY 44 Ca 0.28 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.87 1xpn s GLY 44 CO -0.07 3.05 1.07 0.14 0.00 0.00 0.00 173.10 177.29 1xpn s VAL 45 N 7.37 4.21 -0.50 1.40 1.01 -1.25 -4.19 120.40 128.45 1xpn s VAL 45 Ca 0.54 0.65 -0.20 0.00 0.00 0.00 0.00 61.98 62.98 1xpn s VAL 45 Cb -0.11 -4.63 0.05 0.00 0.00 0.00 0.00 36.38 31.69 1xpn s VAL 45 CO 0.20 -1.20 0.65 -0.63 0.00 0.00 0.00 175.10 174.11 1xpn s ILE 46 N 4.45 4.84 -0.04 2.22 1.01 0.19 -0.41 121.20 133.45 1xpn s ILE 46 Ca 0.38 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1xpn s ILE 46 Cb -0.10 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1xpn s ILE 46 CO 0.23 -0.80 -0.13 0.21 0.00 0.00 0.00 174.94 174.45 1xpn s ASN 47 N 2.60 1.76 0.00 3.58 3.04 -0.53 -0.48 114.94 124.91 1xpn s ASN 47 Ca 0.17 -0.29 0.00 0.00 0.04 0.00 0.00 52.86 52.78 1xpn s ASN 47 Cb -0.18 -0.58 0.00 0.00 -1.54 0.00 0.00 41.25 38.95 1xpn s ASN 47 CO 0.13 0.09 0.00 0.61 -3.04 0.00 0.00 177.10 174.89 1xpn n GLY 48 N 3.39 0.78 3.25 1.21 0.00 -0.95 -0.33 105.19 112.52 1xpn n GLY 48 Ca -0.20 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 1xpn n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xpn s ASP 49 N 0.83 1.99 -0.11 1.61 1.11 -0.74 -1.93 116.67 119.43 1xpn s ASP 49 Ca 0.00 -0.84 0.02 0.00 0.18 0.00 0.00 52.55 51.91 1xpn s ASP 49 Cb 0.00 -0.06 -0.01 0.00 1.07 0.00 0.00 42.92 43.92 1xpn s ASP 49 CO 0.00 -0.17 -0.19 -0.22 1.18 0.00 0.00 175.17 175.77 1xpn s LEU 50 N -2.58 2.35 -0.29 1.23 2.96 0.09 0.03 118.68 122.47 1xpn s LEU 50 Ca 0.10 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.39 1xpn s LEU 50 Cb -0.04 -1.49 0.14 0.00 0.50 0.00 0.00 46.19 45.30 1xpn s LEU 50 CO 0.03 0.16 0.93 -0.72 -1.32 0.00 0.00 176.35 175.44 1xpn s TYR 51 N 0.33 -0.66 -0.14 5.38 1.13 -1.01 -4.40 117.35 117.99 1xpn s TYR 51 Ca -0.15 1.30 0.03 0.00 -1.41 0.00 0.00 57.07 56.83 1xpn s TYR 51 Cb -0.17 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 41.09 1xpn s TYR 51 CO 0.08 -0.33 -0.22 -0.51 -2.51 0.00 0.00 175.55 172.06 1xpn s LEU 52 N 1.49 2.13 -0.16 -3.49 1.43 -0.19 -4.35 118.68 115.55 1xpn s LEU 52 Ca -0.09 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 1xpn s LEU 52 Cb -0.04 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1xpn s LEU 52 CO -0.16 0.09 0.92 0.42 0.23 0.00 0.00 176.35 177.85 1xpn s THR 53 N 0.76 4.82 0.69 5.49 -4.23 -1.26 -0.91 115.64 121.00 1xpn s THR 53 Ca -0.08 1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 62.14 1xpn s THR 53 Cb -0.16 -4.22 0.01 0.00 1.34 0.00 0.00 72.50 69.47 1xpn s THR 53 CO -0.01 -0.01 1.07 -0.94 -0.54 0.00 0.00 174.62 174.20 1xpn s SER 54 N 1.14 5.52 0.57 3.99 1.04 -0.18 -4.93 113.70 120.84 1xpn s SER 54 Ca 0.42 1.11 0.35 0.00 0.48 0.00 0.00 55.95 58.32 1xpn s SER 54 Cb -0.17 -1.95 1.56 0.00 0.10 0.00 0.00 66.02 65.56 1xpn s SER 54 CO 0.13 -1.28 2.06 0.00 0.98 0.00 0.00 173.24 175.13 1xpn h ALA 55 N -0.59 1.02 0.00 5.32 0.00 -1.97 -0.08 119.26 122.97 1xpn h ALA 55 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xpn h ALA 55 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xpn h ALA 55 CO 0.63 0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.34 1xpn n SER 56 N -3.14 0.00 0.00 0.00 7.64 -1.26 -4.89 113.62 111.97 1xpn n SER 56 Ca -0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1xpn n SER 56 Cb 0.26 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.55 0.53 3.42 0.23 0.00 -0.04 -5.05 105.19 104.83 1xpn n GLY 57 Ca 0.08 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn s ALA 58 N -2.00 2.59 -0.27 4.61 0.00 -1.26 -4.88 121.76 120.55 1xpn s ALA 58 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 1xpn s ALA 58 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1xpn s ALA 58 CO 0.00 0.45 0.64 0.42 0.00 0.00 0.00 175.76 177.26 1xpn s ILE 59 N -0.33 4.96 -0.42 0.00 1.01 -1.26 -1.01 121.20 124.15 1xpn s ILE 59 Ca 0.03 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 1xpn s ILE 59 Cb -0.13 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1xpn s ILE 59 CO 0.02 -0.03 0.31 -1.10 0.00 0.00 0.00 174.94 174.15 1xpn s GLN 60 N 2.55 2.95 0.37 2.79 -1.52 -0.08 -4.91 119.66 121.81 1xpn s GLN 60 Ca 0.26 -1.10 0.28 0.00 -1.95 0.00 0.00 55.36 52.85 1xpn s GLN 60 Cb -0.15 -3.98 1.15 0.00 -0.22 0.00 0.00 33.01 29.81 1xpn s GLN 60 CO 0.09 -0.80 1.82 0.87 -0.25 0.00 0.00 175.29 177.02 1xpn h LYS 61 N 8.63 0.00 -3.28 2.91 1.79 -1.87 -0.47 116.57 124.28 1xpn h LYS 61 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1xpn h LYS 61 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1xpn h LYS 61 CO 0.75 0.00 -0.17 0.41 -1.08 0.00 0.00 179.45 179.36 1xpn n GLY 62 N -0.03 -3.13 3.58 3.86 0.00 -1.26 -4.15 105.19 104.05 1xpn n GLY 62 Ca 0.01 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.16 4.23 -1.54 2.61 2.01 -1.26 -4.31 115.64 117.21 1xpn s THR 63 Ca -0.02 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1xpn s THR 63 Cb 0.00 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.66 1xpn s THR 63 CO 0.11 0.51 0.00 0.59 -0.69 0.00 0.00 174.62 175.14 1xpn n ASN 64 N 3.21 -4.96 -4.81 3.53 4.13 -1.18 -4.97 115.26 110.21 1xpn n ASN 64 Ca -0.17 0.13 -0.38 0.00 1.68 0.00 0.00 54.58 55.83 1xpn n ASN 64 Cb 0.53 -4.02 -0.06 0.00 -1.54 0.00 0.00 39.78 34.69 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xpn s THR 65 N -2.76 4.96 -0.34 3.41 2.01 -1.26 -4.74 115.64 116.93 1xpn s THR 65 Ca 0.00 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 62.75 1xpn s THR 65 Cb 0.00 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1xpn s THR 65 CO 0.00 0.53 0.79 -0.54 -0.69 0.00 0.00 174.62 174.71 1xpn s LYS 66 N -0.78 3.86 -0.51 4.92 3.01 -1.25 -0.45 119.74 128.54 1xpn s LYS 66 Ca 0.26 0.46 -0.19 0.00 -1.01 0.00 0.00 55.97 55.48 1xpn s LYS 66 Cb -0.17 -3.77 0.06 0.00 -1.01 0.00 0.00 37.83 32.94 1xpn s LYS 66 CO 0.15 -0.78 0.65 0.08 0.51 0.00 0.00 175.35 175.96 1xpn s VAL 67 N 3.06 4.84 -0.45 3.17 1.01 0.11 -4.46 120.40 127.68 1xpn s VAL 67 Ca 0.32 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1xpn s VAL 67 Cb -0.14 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.96 1xpn s VAL 67 CO 0.15 -0.84 0.48 0.00 0.00 0.00 0.00 175.10 174.89 1xpn s ALA 68 N 2.71 3.43 -0.34 5.51 0.00 0.61 -1.26 121.76 132.43 1xpn s ALA 68 Ca 0.16 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.39 1xpn s ALA 68 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1xpn s ALA 68 CO 0.12 -1.70 0.18 -1.17 0.00 0.00 0.00 175.76 173.18 1xpn s LEU 69 N 2.20 4.42 0.21 0.00 0.20 0.64 0.22 118.68 126.57 1xpn s LEU 69 Ca 0.12 -0.79 0.05 0.00 0.69 0.00 0.00 54.13 54.20 1xpn s LEU 69 Cb -0.18 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1xpn s LEU 69 CO 0.13 -0.30 -0.07 -1.83 -0.29 0.00 0.00 176.35 173.99 1xpn s GLU 70 N 1.57 1.28 0.26 1.98 -1.05 -0.51 -0.23 118.70 122.00 1xpn s GLU 70 Ca 0.03 -1.60 -0.30 0.00 -0.15 0.00 0.00 54.97 52.95 1xpn s GLU 70 Cb -0.18 -0.78 -0.10 0.00 -0.44 0.00 0.00 34.13 32.63 1xpn s GLU 70 CO 0.06 0.02 1.45 -2.14 0.95 0.00 0.00 175.26 175.61 1xpn s PRO 71 N -3.77 4.25 -0.67 -4.83 0.02 -1.26 -0.09 135.00 128.64 1xpn s PRO 71 Ca 0.24 2.34 -0.24 0.00 0.02 0.00 0.00 61.00 63.36 1xpn s PRO 71 Cb 0.03 -3.09 0.06 0.00 0.02 0.00 0.00 34.50 31.52 1xpn s PRO 71 CO 0.06 -0.44 1.05 0.00 -0.33 0.00 0.00 177.00 177.34 1xpn s ALA 72 N -0.10 3.02 0.43 -1.55 0.00 -0.09 -4.68 121.76 118.80 1xpn s ALA 72 Ca 0.59 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1xpn s ALA 72 Cb -0.43 -3.95 -0.02 0.00 0.00 0.00 0.00 23.12 18.72 1xpn s ALA 72 CO 0.45 -2.86 0.32 0.95 0.00 0.00 0.00 175.76 174.62 1xpn s THR 73 N 4.49 2.41 0.29 0.00 -4.23 -1.26 -4.79 115.64 112.55 1xpn s THR 73 Ca 0.26 -1.47 0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1xpn s THR 73 Cb -0.14 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.81 1xpn s THR 73 CO 0.13 0.00 1.65 -1.28 -0.54 0.00 0.00 174.62 174.58 1xpn h SER 74 N 1.11 0.05 -0.44 3.99 0.87 -1.95 -0.47 113.55 116.73 1xpn h SER 74 Ca -0.41 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 59.98 1xpn h SER 74 Cb 1.27 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1xpn h SER 74 CO 0.61 0.60 -0.29 0.22 -0.53 0.00 0.00 176.83 177.44 1xpn h TYR 75 N 0.04 1.14 -0.03 2.24 3.20 -1.96 -3.28 116.97 118.32 1xpn h TYR 75 Ca -0.00 -0.30 -0.18 0.00 3.14 0.00 0.00 58.73 61.38 1xpn h TYR 75 Cb 0.99 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1xpn h TYR 75 CO 0.00 1.13 -0.77 1.98 -1.64 0.00 0.00 178.16 178.87 1xpn h MET 76 N 0.81 0.21 0.00 1.82 4.05 -1.81 -3.18 114.93 116.84 1xpn h MET 76 Ca 0.09 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1xpn h MET 76 Cb 0.88 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1xpn h MET 76 CO 0.08 0.88 -0.10 1.57 0.23 0.00 0.00 176.91 179.58 1xpn h LYS 77 N 0.14 0.00 -0.18 0.39 2.10 -1.15 0.21 116.57 118.08 1xpn h LYS 77 Ca -0.03 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.54 1xpn h LYS 77 Cb 1.35 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1xpn h LYS 77 CO 0.12 0.10 -0.19 0.00 -2.00 0.00 0.00 179.45 177.48 1xpn h ALA 78 N 1.90 0.27 -0.58 0.07 0.00 -1.65 -2.08 119.26 117.19 1xpn h ALA 78 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1xpn h ALA 78 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xpn h ALA 78 CO 0.01 0.19 -0.06 -0.92 0.00 0.00 0.00 179.25 178.47 1xpn h TYR 79 N 0.10 1.17 -0.32 0.00 3.20 -1.43 -2.99 116.97 116.71 1xpn h TYR 79 Ca 0.03 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1xpn h TYR 79 Cb 0.73 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1xpn h TYR 79 CO 0.08 1.06 0.15 -0.92 -1.64 0.00 0.00 178.16 176.89 1xpn h TYR 80 N 0.95 0.43 -0.62 -3.82 3.20 -0.56 0.36 116.97 116.91 1xpn h TYR 80 Ca 0.16 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1xpn h TYR 80 Cb 0.63 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1xpn h TYR 80 CO 0.04 0.32 0.12 0.00 -1.64 0.00 0.00 178.16 177.01 1xpn h ALA 81 N 1.73 1.04 0.00 1.82 0.00 -1.22 -2.44 119.26 120.20 1xpn h ALA 81 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1xpn h ALA 81 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xpn h ALA 81 CO -0.02 0.62 -0.50 0.87 0.00 0.00 0.00 179.25 180.22 1xpn h LYS 82 N 0.94 0.00 -2.70 0.00 1.79 -1.34 -3.43 116.57 111.82 1xpn h LYS 82 Ca 0.19 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.06 1xpn h LYS 82 Cb 0.38 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.63 1xpn h LYS 82 CO 0.01 0.65 -0.79 -0.06 -1.08 0.00 0.00 179.45 178.17 1xpn s PHE 83 N -2.15 2.17 0.01 -1.35 0.08 0.12 -4.91 117.98 111.94 1xpn s PHE 83 Ca -0.18 -2.74 0.00 0.00 0.12 0.00 0.00 56.93 54.12 1xpn s PHE 83 Cb 0.01 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 1xpn s PHE 83 CO 0.45 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 1xpn n GLY 84 N 2.54 0.05 3.20 4.36 0.00 -0.92 -4.42 105.19 110.01 1xpn n GLY 84 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1xpn n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s ASN 85 N -4.95 5.23 -0.07 1.61 2.20 -1.25 -2.33 114.94 115.38 1xpn s ASN 85 Ca 0.00 -1.46 -0.01 0.00 -0.94 0.00 0.00 52.86 50.45 1xpn s ASN 85 Cb 0.00 -1.83 0.03 0.00 -2.00 0.00 0.00 41.25 37.44 1xpn s ASN 85 CO 0.00 -0.40 -0.01 -0.22 -2.94 0.00 0.00 177.10 173.53 1xpn s LEU 86 N 1.30 0.76 0.47 3.54 0.20 0.14 -4.95 118.68 120.14 1xpn s LEU 86 Ca 0.01 -0.11 -0.24 0.00 0.69 0.00 0.00 54.13 54.48 1xpn s LEU 86 Cb -0.21 -0.48 -0.08 0.00 -0.43 0.00 0.00 46.19 44.99 1xpn s LEU 86 CO -0.00 -0.17 1.27 0.47 -0.29 0.00 0.00 176.35 177.63 1xpn n ASP 87 N 4.96 2.44 0.28 3.68 9.92 -1.26 -1.25 116.55 135.32 1xpn n ASP 87 Ca -0.10 1.05 0.13 0.00 -0.53 0.00 0.00 54.79 55.34 1xpn n ASP 87 Cb 0.50 -1.51 0.82 0.00 -0.64 0.00 0.00 41.12 40.29 1xpn n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpn h ALA 88 N 1.78 1.52 -0.45 2.24 0.00 -1.41 -1.98 119.26 120.96 1xpn h ALA 88 Ca -0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1xpn h ALA 88 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1xpn h ALA 88 CO 0.58 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 1xpn h ALA 89 N 1.96 0.61 -0.67 0.00 0.00 -1.81 -3.01 119.26 116.34 1xpn h ALA 89 Ca -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1xpn h ALA 89 Cb 0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 17.56 1xpn h ALA 89 CO 0.01 0.50 0.38 0.36 0.00 0.00 0.00 179.25 180.49 1xpn n LYS 90 N -4.28 2.40 -2.20 0.00 2.85 -0.76 -4.88 118.16 111.29 1xpn n LYS 90 Ca -0.00 -2.28 -0.42 0.00 -1.05 0.00 0.00 58.31 54.56 1xpn n LYS 90 Cb 0.37 -1.93 -0.03 0.00 -0.65 0.00 0.00 35.03 32.80 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xpn s ARG 91 N -2.44 3.30 -0.14 -1.58 6.06 -1.13 -4.87 118.95 118.16 1xpn s ARG 91 Ca 0.42 0.94 -0.29 0.00 -2.50 0.00 0.00 55.73 54.30 1xpn s ARG 91 Cb 0.35 -4.15 -0.03 0.00 0.06 0.00 0.00 34.95 31.18 1xpn s ARG 91 CO 0.09 -1.90 1.46 0.34 -2.50 0.00 0.00 175.30 172.79 1xpn s ASP 92 N 5.32 6.74 0.00 -2.12 -1.08 -1.26 -4.89 116.67 119.38 1xpn s ASP 92 Ca 0.66 1.86 0.29 0.00 -0.52 0.00 0.00 52.55 54.83 1xpn s ASP 92 Cb -0.16 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.96 1xpn s ASP 92 CO 0.30 -0.91 1.83 -0.81 0.52 0.00 0.00 175.17 176.09 1xpn n PRO 93 N 7.00 1.12 -0.08 4.34 -0.04 -1.26 -4.18 135.00 141.89 1xpn n PRO 93 Ca 0.16 -0.50 -0.18 0.00 -0.04 0.00 0.00 63.50 62.94 1xpn n PRO 93 Cb 0.44 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.50 1.18 -4.40 3.54 -0.08 -1.26 -4.85 116.55 110.17 1xpn n ASP 94 Ca 0.17 0.20 -0.44 0.00 -1.51 0.00 0.00 54.79 53.21 1xpn n ASP 94 Cb 0.29 -0.49 -0.04 0.00 2.34 0.00 0.00 41.12 43.22 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xpn s VAL 95 N -2.30 4.79 0.22 5.18 1.01 -1.26 -5.03 120.40 123.00 1xpn s VAL 95 Ca -0.23 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 1xpn s VAL 95 Cb 0.09 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 1xpn s VAL 95 CO 0.29 -1.26 0.63 -1.10 0.00 0.00 0.00 175.10 173.67 1xpn s GLN 96 N 2.70 4.01 0.17 2.72 -0.21 -1.26 -4.72 119.66 123.07 1xpn s GLN 96 Ca 0.18 0.57 -0.34 0.00 0.02 0.00 0.00 55.36 55.80 1xpn s GLN 96 Cb -0.18 -2.76 -0.15 0.00 1.00 0.00 0.00 33.01 30.93 1xpn s GLN 96 CO 0.02 0.36 1.40 -2.30 -2.12 0.00 0.00 175.29 172.66 1xpn n PRO 97 N 0.35 1.72 -1.73 2.91 -0.02 -1.26 -4.91 135.00 132.07 1xpn n PRO 97 Ca -0.02 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 1xpn n PRO 97 Cb 0.52 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1xpn n PRO 97 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xpn n PRO 98 N 2.52 2.06 -2.21 0.52 -0.02 -1.26 -4.91 135.00 131.70 1xpn n PRO 98 Ca 0.15 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1xpn n PRO 98 Cb 0.27 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1xpn n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xpn s VAL 99 N -1.20 3.85 0.43 -1.45 1.01 -1.26 -5.00 120.40 116.77 1xpn s VAL 99 Ca 0.62 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.61 1xpn s VAL 99 Cb -0.47 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1xpn s VAL 99 CO 0.57 -0.33 0.61 -0.76 0.00 0.00 0.00 175.10 175.19 1xpn s LEU 100 N 4.82 3.66 0.31 3.92 1.43 -1.26 -5.07 118.68 126.48 1xpn s LEU 100 Ca 0.66 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1xpn s LEU 100 Cb -0.23 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.07 1xpn s LEU 100 CO 0.27 -0.74 1.16 -0.62 0.23 0.00 0.00 176.35 176.64 1xpn s ASP 101 N -4.29 7.07 0.06 2.29 -1.08 -1.26 -4.91 116.67 114.55 1xpn s ASP 101 Ca 0.51 2.38 0.04 0.00 -0.52 0.00 0.00 52.55 54.96 1xpn s ASP 101 Cb -0.10 -2.63 0.21 0.00 -1.46 0.00 0.00 42.92 38.94 1xpn s ASP 101 CO 0.35 -0.30 1.09 -2.65 0.52 0.00 0.00 175.17 174.18 1xpn n PRO 102 N 0.96 0.03 -0.19 4.34 -0.02 -1.26 -2.88 135.00 135.98 1xpn n PRO 102 Ca -0.00 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1xpn n PRO 102 Cb 0.44 -1.62 0.08 0.00 -0.02 0.00 0.00 33.50 32.39 1xpn n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xpn h ARG 103 N 0.00 0.10 -0.97 -0.52 3.08 -2.01 -1.48 114.38 112.58 1xpn h ARG 103 Ca 0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1xpn h ARG 103 Cb 0.07 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1xpn h ARG 103 CO 0.00 0.07 0.64 0.07 -1.07 0.00 0.00 179.97 179.67 1xpn h ARG 104 N 0.10 1.18 -0.24 0.04 0.11 -1.93 -1.20 114.38 112.45 1xpn h ARG 104 Ca 0.30 -0.07 0.05 0.00 0.10 0.00 0.00 59.98 60.35 1xpn h ARG 104 Cb 0.47 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1xpn h ARG 104 CO -0.50 0.78 0.16 0.00 0.10 0.00 0.00 179.97 180.51 1xpn h ALA 105 N 1.44 2.08 0.01 0.08 0.00 -1.48 0.46 119.26 121.84 1xpn h ALA 105 Ca 0.39 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.03 1xpn h ALA 105 Cb 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xpn h ALA 105 CO -0.12 -0.13 -1.04 1.15 0.00 0.00 0.00 179.25 179.11 1xpn h THR 106 N 0.11 1.30 -0.00 0.00 2.02 -1.11 -3.25 112.91 111.99 1xpn h THR 106 Ca 0.11 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1xpn h THR 106 Cb 0.28 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1xpn h THR 106 CO -0.01 0.71 -0.24 -1.22 0.37 0.00 0.00 175.52 175.13 1xpn n TYR 107 N -3.82 0.00 -2.15 3.16 4.01 -0.12 -4.80 117.16 113.43 1xpn n TYR 107 Ca -0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.21 1xpn n TYR 107 Cb 0.88 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1xpn n TYR 107 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xpn s VAL 108 N -2.98 3.81 -0.65 -0.72 1.01 0.14 -4.68 120.40 116.34 1xpn s VAL 108 Ca 0.13 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 62.88 1xpn s VAL 108 Cb 0.18 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1xpn s VAL 108 CO 0.61 -0.13 0.85 -0.13 0.00 0.00 0.00 175.10 176.29 1xpn s ARG 109 N 4.01 3.11 0.05 2.72 0.52 0.68 -4.88 118.95 125.16 1xpn s ARG 109 Ca 0.67 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1xpn s ARG 109 Cb -0.28 -4.29 -0.04 0.00 0.52 0.00 0.00 34.95 30.86 1xpn s ARG 109 CO 0.25 -1.68 0.03 -1.83 0.02 0.00 0.00 175.30 172.09 1xpn s GLU 110 N 3.28 2.78 0.03 3.54 4.04 -1.25 -0.26 118.70 130.87 1xpn s GLU 110 Ca 0.18 -0.68 -0.00 0.00 0.04 0.00 0.00 54.97 54.50 1xpn s GLU 110 Cb -0.20 -2.67 -0.03 0.00 0.02 0.00 0.00 34.13 31.26 1xpn s GLU 110 CO 0.07 0.59 -0.03 0.00 -1.84 0.00 0.00 175.26 174.04 1xpn s ALA 111 N -1.25 0.27 -0.33 -0.84 0.00 -0.39 -4.91 121.76 114.32 1xpn s ALA 111 Ca 0.24 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1xpn s ALA 111 Cb -0.12 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1xpn s ALA 111 CO 0.16 -0.21 0.36 0.99 0.00 0.00 0.00 175.76 177.07 1xpn s THR 112 N -2.18 5.17 0.39 0.00 2.01 -1.26 0.07 115.64 119.83 1xpn s THR 112 Ca -0.09 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 1xpn s THR 112 Cb -0.05 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.55 1xpn s THR 112 CO -0.03 -0.06 1.29 0.35 -0.69 0.00 0.00 174.62 175.48 1xpn n THR 113 N 5.23 2.30 -0.94 -0.82 -2.24 0.41 -4.86 114.28 113.36 1xpn n THR 113 Ca -0.09 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 1xpn n THR 113 Cb 0.50 -1.60 0.20 0.00 -2.10 0.00 0.00 70.33 67.32 1xpn n THR 113 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xpn s ASP 114 N -0.42 2.13 0.37 3.42 2.15 -1.17 -3.07 116.67 120.08 1xpn s ASP 114 Ca 0.58 1.38 0.10 0.00 0.43 0.00 0.00 52.55 55.04 1xpn s ASP 114 Cb -0.53 -2.08 0.85 0.00 -0.30 0.00 0.00 42.92 40.87 1xpn s ASP 114 CO 0.60 -3.46 1.90 -0.61 -0.17 0.00 0.00 175.17 173.42 1xpn h GLN 115 N -2.12 0.63 -0.68 4.34 -0.00 -1.92 -0.64 115.11 114.72 1xpn h GLN 115 Ca -0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.05 1xpn h GLN 115 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.66 1xpn h GLN 115 CO 0.54 0.42 0.00 0.09 0.00 0.00 0.00 178.83 179.88 1xpn n ASN 116 N -4.53 4.66 -3.37 -0.69 3.02 -1.26 -4.83 115.26 108.27 1xpn n ASN 116 Ca 0.15 -2.71 -0.19 0.00 -0.03 0.00 0.00 54.58 51.79 1xpn n ASN 116 Cb 0.43 -0.64 0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xpn n GLY 117 N 0.49 -1.12 3.04 7.41 0.00 -0.25 -4.85 105.19 109.91 1xpn n GLY 117 Ca 0.21 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 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 -4.81 0.47 -0.02 1.61 3.52 -1.26 -0.73 118.95 117.73 1xpn s ARG 118 Ca 0.44 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 1xpn s ARG 118 Cb -0.09 -0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 1xpn s ARG 118 CO 0.78 0.01 -0.06 -0.59 -0.81 0.00 0.00 175.30 174.63 1xpn s PHE 119 N -1.52 0.69 -0.25 5.12 -0.71 -0.81 -3.05 117.98 117.46 1xpn s PHE 119 Ca -0.11 -0.16 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1xpn s PHE 119 Cb -0.09 -0.53 0.06 0.00 -1.21 0.00 0.00 43.02 41.25 1xpn s PHE 119 CO -0.00 -0.09 -0.05 -0.51 -1.34 0.00 0.00 175.22 173.23 1xpn s ASP 120 N 0.31 4.00 0.02 1.98 1.11 -1.26 -2.24 116.67 120.58 1xpn s ASP 120 Ca -0.04 -1.28 0.07 0.00 0.18 0.00 0.00 52.55 51.48 1xpn s ASP 120 Cb -0.08 -1.24 -0.03 0.00 1.07 0.00 0.00 42.92 42.64 1xpn s ASP 120 CO 0.00 -0.25 -0.20 -0.36 1.18 0.00 0.00 175.17 175.54 1xpn s PHE 121 N 1.33 2.51 0.18 4.23 0.40 0.37 -5.02 117.98 121.98 1xpn s PHE 121 Ca -0.05 -0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1xpn s PHE 121 Cb -0.19 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1xpn s PHE 121 CO -0.07 0.18 0.35 -0.40 0.70 0.00 0.00 175.22 175.98 1xpn n ASP 122 N 1.82 -1.01 -1.21 1.36 5.75 -1.26 -0.64 116.55 121.36 1xpn n ASP 122 Ca -0.16 -1.73 -0.10 0.00 -0.01 0.00 0.00 54.79 52.79 1xpn n ASP 122 Cb 0.52 1.69 -0.00 0.00 -1.03 0.00 0.00 41.12 42.29 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 -0.24 -0.55 -4.87 2.11 8.25 -1.24 -4.99 115.22 113.70 1xpn n HIS 123 Ca -0.04 0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1xpn n HIS 123 Cb 0.27 -2.48 -0.17 0.00 1.12 0.00 0.00 29.99 28.73 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 -2.55 1.93 0.55 1.59 1.01 -1.05 -3.30 121.20 119.39 1xpn s ILE 124 Ca 0.02 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1xpn s ILE 124 Cb -0.01 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 1xpn s ILE 124 CO 0.03 0.53 1.17 -2.16 0.00 0.00 0.00 174.94 174.51 1xpn s PRO 125 N 0.63 3.27 0.57 2.79 0.04 -1.26 -0.20 135.00 140.84 1xpn s PRO 125 Ca -0.12 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 1xpn s PRO 125 Cb -0.16 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1xpn s PRO 125 CO 0.03 -0.95 1.14 0.54 0.04 0.00 0.00 177.00 177.81 1xpn s ASN 126 N -1.60 5.53 0.00 6.66 4.22 -1.26 -4.85 114.94 123.64 1xpn s ASN 126 Ca 0.73 2.20 0.00 0.00 -2.14 0.00 0.00 52.86 53.65 1xpn s ASN 126 Cb -0.28 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.67 1xpn s ASN 126 CO 0.31 -1.35 0.00 0.61 -2.04 0.00 0.00 177.10 174.63 1xpn n GLY 127 N 0.16 -1.08 3.70 0.45 0.00 0.13 -5.00 105.19 103.56 1xpn n GLY 127 Ca 0.12 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.52 5.23 0.14 2.61 -4.23 -1.26 -1.21 115.64 114.40 1xpn s THR 128 Ca 0.00 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.28 1xpn s THR 128 Cb 0.00 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1xpn s THR 128 CO 0.00 0.31 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.97 1xpn s TYR 129 N 0.87 1.29 -0.15 3.99 2.02 0.42 -0.91 117.35 124.88 1xpn s TYR 129 Ca 0.20 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 1xpn s TYR 129 Cb -0.14 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1xpn s TYR 129 CO 0.07 0.10 -0.07 0.71 -1.57 0.00 0.00 175.55 174.79 1xpn s TYR 130 N -3.06 2.94 -0.46 2.71 2.02 0.86 -0.44 117.35 121.92 1xpn s TYR 130 Ca 0.15 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1xpn s TYR 130 Cb 0.01 -1.93 0.08 0.00 -0.40 0.00 0.00 41.96 39.72 1xpn s TYR 130 CO 0.01 -0.16 0.37 0.42 -1.57 0.00 0.00 175.55 174.62 1xpn s ILE 131 N 0.47 4.96 -0.20 2.71 1.01 0.39 -1.42 121.20 129.13 1xpn s ILE 131 Ca -0.06 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 1xpn s ILE 131 Cb -0.15 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1xpn s ILE 131 CO 0.03 -0.58 0.04 -0.55 0.00 0.00 0.00 174.94 173.89 1xpn s SER 132 N 2.54 5.32 -0.14 3.58 0.15 0.13 -0.07 113.70 125.21 1xpn s SER 132 Ca 0.04 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 1xpn s SER 132 Cb -0.24 -1.92 0.07 0.00 -1.71 0.00 0.00 66.02 62.22 1xpn s SER 132 CO 0.05 0.11 0.29 -0.94 1.20 0.00 0.00 173.24 173.95 1xpn s SER 133 N 0.73 0.20 -0.89 5.45 1.04 0.03 -0.28 113.70 119.97 1xpn s SER 133 Ca 0.02 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 56.92 1xpn s SER 133 Cb -0.14 0.78 0.13 0.00 0.10 0.00 0.00 66.02 66.90 1xpn s SER 133 CO 0.02 -0.23 1.08 -0.70 0.98 0.00 0.00 173.24 174.39 1xpn s GLU 134 N 2.35 3.54 -0.47 4.02 2.12 -1.26 -1.51 118.70 127.48 1xpn s GLU 134 Ca -0.00 -1.70 -0.10 0.00 0.36 0.00 0.00 54.97 53.52 1xpn s GLU 134 Cb -0.12 -4.81 0.11 0.00 0.26 0.00 0.00 34.13 29.58 1xpn s GLU 134 CO -0.09 -1.74 0.36 -1.17 -0.54 0.00 0.00 175.26 172.07 1xpn s LEU 135 N 2.68 5.70 0.02 2.70 2.96 -0.23 -4.88 118.68 127.62 1xpn s LEU 135 Ca 0.30 -1.82 0.03 0.00 -0.22 0.00 0.00 54.13 52.42 1xpn s LEU 135 Cb -0.07 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1xpn s LEU 135 CO -0.07 -0.70 -0.09 0.28 -1.32 0.00 0.00 176.35 174.45 1xpn s THR 136 N 1.41 0.66 -0.07 3.68 -1.32 -1.26 -0.63 115.64 118.11 1xpn s THR 136 Ca 0.05 -0.71 -0.10 0.00 -1.21 0.00 0.00 61.69 59.72 1xpn s THR 136 Cb -0.26 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1xpn s THR 136 CO 0.00 -0.06 0.26 -1.66 -2.21 0.00 0.00 174.62 170.95 1xpn s TRP 137 N -0.72 -0.24 -0.42 9.09 -2.14 0.24 -4.92 118.94 119.83 1xpn s TRP 137 Ca -0.02 0.54 -0.26 0.00 2.66 0.00 0.00 56.10 59.03 1xpn s TRP 137 Cb -0.06 0.08 0.02 0.00 -3.10 0.00 0.00 33.47 30.41 1xpn s TRP 137 CO 0.00 -0.20 0.94 -1.12 -2.66 0.00 0.00 176.95 173.91 1xpn s SER 138 N -0.30 6.58 -0.03 -2.66 0.01 -1.26 0.10 113.70 116.14 1xpn s SER 138 Ca -0.04 0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.61 1xpn s SER 138 Cb -0.03 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1xpn s SER 138 CO 0.01 -0.98 -0.19 0.00 0.41 0.00 0.00 173.24 172.49 1xpn s ALA 139 N 3.68 2.49 -0.32 1.44 0.00 0.24 -4.92 121.76 124.36 1xpn s ALA 139 Ca 0.38 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1xpn s ALA 139 Cb -0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1xpn s ALA 139 CO 0.23 0.55 0.58 -0.65 0.00 0.00 0.00 175.76 176.48 1xpn s GLN 140 N -0.77 3.79 0.00 0.00 -0.21 -1.26 -0.11 119.66 121.11 1xpn s GLN 140 Ca 0.11 0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.61 1xpn s GLN 140 Cb -0.10 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.15 1xpn s GLN 140 CO 0.00 -0.60 0.13 -1.13 -2.12 0.00 0.00 175.29 171.57 1xpn n SER 141 N 5.84 0.00 -0.36 5.90 3.41 0.79 -4.57 113.62 124.63 1xpn n SER 141 Ca -0.02 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1xpn n SER 141 Cb 0.49 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.56 1xpn n SER 141 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xpn n ASP 142 N -0.35 2.69 0.00 4.04 5.75 -1.26 -4.86 116.55 122.56 1xpn n ASP 142 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1xpn n ASP 142 Cb 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xpn n GLY 143 N -0.46 1.28 3.72 6.12 0.00 -1.26 -5.11 105.19 109.48 1xpn n GLY 143 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1xpn n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s LYS 144 N 0.00 4.47 -0.42 1.61 1.02 -1.26 -4.99 119.74 120.16 1xpn s LYS 144 Ca 0.00 1.01 -0.19 0.00 0.02 0.00 0.00 55.97 56.80 1xpn s LYS 144 Cb 0.00 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1xpn s LYS 144 CO 0.00 0.10 0.56 0.99 -0.92 0.00 0.00 175.35 176.08 1xpn s THR 145 N 0.63 4.93 -0.07 2.17 2.01 -1.26 -0.15 115.64 123.91 1xpn s THR 145 Ca 0.40 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1xpn s THR 145 Cb -0.19 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1xpn s THR 145 CO 0.21 -0.49 -0.06 0.27 -0.69 0.00 0.00 174.62 173.86 1xpn s ILE 146 N 2.55 3.80 -0.85 1.82 -4.36 0.85 -4.89 121.20 120.11 1xpn s ILE 146 Ca 0.19 -0.46 -0.24 0.00 -0.26 0.00 0.00 60.65 59.88 1xpn s ILE 146 Cb -0.15 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.04 1xpn s ILE 146 CO 0.17 0.59 1.30 -0.89 0.24 0.00 0.00 174.94 176.35 1xpn s THR 147 N -0.83 3.93 0.63 8.37 2.01 -1.26 -0.59 115.64 127.89 1xpn s THR 147 Ca 0.13 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1xpn s THR 147 Cb -0.11 -4.94 0.01 0.00 0.01 0.00 0.00 72.50 67.47 1xpn s THR 147 CO 0.02 -1.83 0.96 -1.61 -0.69 0.00 0.00 174.62 171.48 1xpn s GLU 148 N 5.07 2.89 3.06 4.92 2.02 0.11 -4.16 118.70 132.62 1xpn s GLU 148 Ca 0.38 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.51 1xpn s GLU 148 Cb -0.06 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1xpn s GLU 148 CO 0.03 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1xpn n GLY 149 N -2.72 -0.37 0.00 -1.39 0.00 -1.26 -0.59 105.19 98.85 1xpn n GLY 149 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.24 3.51 -0.02 0.00 0.20 -1.24 105.19 107.87 1xpn n GLY 150 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.71 4.21 -0.23 2.61 2.01 -0.38 -1.07 115.64 120.07 1xpn s THR 151 Ca 0.00 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1xpn s THR 151 Cb 0.00 -4.68 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 1xpn s THR 151 CO 0.00 -1.40 -0.03 0.54 -0.69 0.00 0.00 174.62 173.04 1xpn s VAL 152 N 4.42 3.48 -0.18 3.82 0.11 -0.57 0.28 120.40 131.76 1xpn s VAL 152 Ca 0.29 -0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1xpn s VAL 152 Cb -0.13 -2.61 -0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1xpn s VAL 152 CO 0.16 0.39 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.31 1xpn s THR 153 N 1.49 2.90 -0.11 5.04 2.01 -0.98 -0.79 115.64 125.19 1xpn s THR 153 Ca 0.06 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1xpn s THR 153 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 1xpn s THR 153 CO -0.02 0.49 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.60 1xpn s LYS 154 N 1.03 3.21 -0.14 4.92 2.20 0.89 -4.43 119.74 127.42 1xpn s LYS 154 Ca -0.01 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1xpn s LYS 154 Cb -0.15 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1xpn s LYS 154 CO -0.02 0.47 1.00 -1.17 -0.36 0.00 0.00 175.35 175.28 1xpn s LEU 155 N -0.28 4.21 -0.12 5.43 2.96 -1.26 -0.46 118.68 129.15 1xpn s LEU 155 Ca 0.05 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1xpn s LEU 155 Cb -0.13 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1xpn s LEU 155 CO 0.02 -0.50 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.64 1xpn s VAL 156 N 2.30 2.11 -0.34 1.68 1.01 0.41 -4.97 120.40 122.60 1xpn s VAL 156 Ca 0.47 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1xpn s VAL 156 Cb -0.17 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.44 1xpn s VAL 156 CO 0.15 0.55 0.09 -0.89 0.00 0.00 0.00 175.10 175.00 1xpn s THR 157 N 0.58 3.41 -0.54 3.92 2.01 -1.26 -0.44 115.64 123.32 1xpn s THR 157 Ca -0.13 -1.41 -0.11 0.00 0.31 0.00 0.00 61.69 60.35 1xpn s THR 157 Cb -0.17 -3.03 0.14 0.00 0.01 0.00 0.00 72.50 69.45 1xpn s THR 157 CO 0.04 -0.26 0.44 -0.69 -0.69 0.00 0.00 174.62 173.46 1xpn s VAL 158 N 1.30 4.59 -2.20 3.82 1.01 -0.35 -4.89 120.40 123.69 1xpn s VAL 158 Ca -0.01 -1.89 0.22 0.00 0.00 0.00 0.00 61.98 60.30 1xpn s VAL 158 Cb -0.20 -3.97 0.48 0.00 0.00 0.00 0.00 36.38 32.68 1xpn s VAL 158 CO 0.00 -0.84 1.42 -0.24 0.00 0.00 0.00 175.10 175.44 1xpn n SER 159 N 4.77 3.56 -4.01 3.32 2.88 -1.26 0.20 113.62 123.08 1xpn n SER 159 Ca -0.06 -1.98 -0.08 0.00 -1.33 0.00 0.00 58.87 55.42 1xpn n SER 159 Cb 0.41 -0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.29 0.33 -0.22 0.46 0.00 -1.26 -4.98 107.32 100.36 1xpn s GLY 160 Ca 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1xpn s GLY 160 CO 0.31 -1.05 1.71 1.44 0.00 0.00 0.00 173.10 175.51 1xpn n SER 161 N 0.38 4.89 -4.45 1.64 7.64 -1.26 -4.56 113.62 117.90 1xpn n SER 161 Ca -0.16 -2.80 -0.27 0.00 1.01 0.00 0.00 58.87 56.65 1xpn n SER 161 Cb 0.60 -0.87 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.40 1.60 -0.22 1.43 -0.21 -1.26 -4.58 119.66 115.01 1xpn s GLN 162 Ca 0.24 -1.48 -0.28 0.00 0.02 0.00 0.00 55.36 53.86 1xpn s GLN 162 Cb 0.19 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.26 1xpn s GLN 162 CO 0.02 0.41 2.21 -2.14 -2.12 0.00 0.00 175.29 173.67 1xpn s PRO 163 N -2.67 3.12 -0.20 2.91 0.02 -1.26 -3.83 135.00 133.09 1xpn s PRO 163 Ca 0.21 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 63.11 1xpn s PRO 163 Cb -0.08 -4.37 -0.05 0.00 0.02 0.00 0.00 34.50 30.02 1xpn s PRO 163 CO 0.10 -2.11 0.28 -1.14 -0.33 0.00 0.00 177.00 173.80 1xpn s GLN 164 N 6.35 4.18 -0.21 5.54 0.74 0.46 -4.95 119.66 131.76 1xpn s GLN 164 Ca 1.00 0.00 -0.25 0.00 0.05 0.00 0.00 55.36 56.17 1xpn s GLN 164 Cb -0.33 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 1xpn s GLN 164 CO 0.35 0.11 0.84 0.21 -0.55 0.00 0.00 175.29 176.25 1xpn s LYS 165 N 0.88 4.23 -0.23 1.67 2.47 -1.24 -1.45 119.74 126.08 1xpn s LYS 165 Ca 0.14 0.99 0.02 0.00 -1.56 0.00 0.00 55.97 55.56 1xpn s LYS 165 Cb -0.13 -3.61 0.04 0.00 -1.46 0.00 0.00 37.83 32.66 1xpn s LYS 165 CO 0.05 -0.44 -0.13 0.08 0.16 0.00 0.00 175.35 175.06 1xpn s VAL 166 N 2.56 2.25 -0.39 4.02 1.01 0.55 -4.96 120.40 125.44 1xpn s VAL 166 Ca 0.37 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1xpn s VAL 166 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1xpn s VAL 166 CO 0.09 0.20 0.52 -0.76 0.00 0.00 0.00 175.10 175.15 1xpn s LEU 167 N 1.20 4.53 -0.80 3.92 1.02 -1.26 -1.78 118.68 125.50 1xpn s LEU 167 Ca -0.03 -0.29 -0.23 0.00 0.02 0.00 0.00 54.13 53.60 1xpn s LEU 167 Cb -0.17 -2.56 0.07 0.00 0.02 0.00 0.00 46.19 43.55 1xpn s LEU 167 CO -0.08 -0.58 1.16 -0.22 0.02 0.00 0.00 176.35 176.65 1xpn s LEU 168 N 2.43 4.09 0.26 1.79 2.96 0.10 -4.93 118.68 125.38 1xpn s LEU 168 Ca 0.18 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.73 1xpn s LEU 168 Cb -0.16 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.07 1xpn s LEU 168 CO 0.15 -1.46 0.58 0.28 -1.32 0.00 0.00 176.35 174.57 1xpn s THR 169 N 4.31 0.00 0.00 3.68 -1.32 -1.26 -2.40 115.64 118.65 1xpn s THR 169 Ca 0.32 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1xpn s THR 169 Cb -0.09 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1xpn s THR 169 CO 0.03 -0.01 0.00 -2.11 -2.21 0.00 0.00 174.62 170.32