#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 6.58 -0.13 1.61 0.01 -1.26 -4.98 113.70 115.53 1xpn s SER 2 Ca 0.00 0.76 0.08 0.00 1.31 0.00 0.00 55.95 58.10 1xpn s SER 2 Cb 0.00 -2.16 0.45 0.00 0.21 0.00 0.00 66.02 64.51 1xpn s SER 2 CO 0.00 0.03 1.18 -1.20 0.41 0.00 0.00 173.24 173.66 1xpn n SER 3 N 0.18 3.56 -4.11 2.44 7.64 -1.26 -4.80 113.62 117.27 1xpn n SER 3 Ca -0.02 -2.50 -0.25 0.00 1.01 0.00 0.00 58.87 57.10 1xpn n SER 3 Cb 0.52 -0.60 -0.16 0.00 -1.01 0.00 0.00 64.21 62.96 1xpn n SER 3 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xpn s HIS 4 N -1.95 1.58 0.13 1.43 4.02 -1.26 -5.13 115.29 114.11 1xpn s HIS 4 Ca 0.30 -0.44 -0.24 0.00 1.02 0.00 0.00 55.06 55.70 1xpn s HIS 4 Cb 0.23 -1.07 -0.07 0.00 -1.02 0.00 0.00 32.58 30.64 1xpn s HIS 4 CO 0.09 -0.15 0.72 -1.01 1.02 0.00 0.00 174.74 175.41 1xpn s HIS 5 N 0.04 3.87 0.03 1.40 0.09 -1.26 -5.02 115.29 114.44 1xpn s HIS 5 Ca -0.03 1.53 -0.30 0.00 -0.00 0.00 0.00 55.06 56.25 1xpn s HIS 5 Cb -0.11 -2.70 -0.07 0.00 -0.00 0.00 0.00 32.58 29.70 1xpn s HIS 5 CO 0.02 0.51 1.47 -1.01 -0.00 0.00 0.00 174.74 175.73 1xpn s HIS 6 N -1.04 2.77 -0.03 1.40 4.02 -1.26 -4.91 115.29 116.24 1xpn s HIS 6 Ca 0.34 0.69 -0.30 0.00 1.02 0.00 0.00 55.06 56.81 1xpn s HIS 6 Cb -0.22 -3.75 -0.08 0.00 -1.02 0.00 0.00 32.58 27.51 1xpn s HIS 6 CO 0.24 -2.85 2.04 0.72 1.02 0.00 0.00 174.74 175.90 1xpn n HIS 7 N 5.30 2.37 -0.09 1.40 8.25 -1.26 -4.88 115.22 126.31 1xpn n HIS 7 Ca 0.14 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.08 1xpn n HIS 7 Cb 0.43 -2.78 -0.12 0.00 1.12 0.00 0.00 29.99 28.63 1xpn n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xpn h HIS 8 N 11.64 0.06 -2.23 4.41 -0.00 -2.06 -3.38 115.15 123.59 1xpn h HIS 8 Ca -0.48 -0.05 -0.77 0.00 -0.00 0.00 0.00 60.37 59.08 1xpn h HIS 8 Cb 1.24 -0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.35 1xpn h HIS 8 CO 0.95 1.48 0.73 1.58 -0.00 0.00 0.00 177.93 182.68 1xpn n HIS 9 N -4.34 3.01 -3.20 2.45 -0.00 -1.26 -4.84 115.22 107.04 1xpn n HIS 9 Ca -0.30 -2.79 0.01 0.00 0.46 0.00 0.00 57.72 55.09 1xpn n HIS 9 Cb 0.71 -1.06 -0.02 0.00 -0.12 0.00 0.00 29.99 29.49 1xpn n HIS 9 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xpn s SER 10 N -1.71 -1.00 -0.51 0.26 0.15 -1.26 -5.12 113.70 104.51 1xpn s SER 10 Ca 0.42 0.50 -0.16 0.00 0.70 0.00 0.00 55.95 57.41 1xpn s SER 10 Cb 0.23 1.86 0.10 0.00 -1.71 0.00 0.00 66.02 66.49 1xpn s SER 10 CO -0.15 -0.28 0.46 -0.44 1.20 0.00 0.00 173.24 174.03 1xpn s SER 11 N 2.77 6.17 -0.53 5.45 0.01 -1.26 -4.91 113.70 121.40 1xpn s SER 11 Ca 0.16 -1.51 0.07 0.00 1.31 0.00 0.00 55.95 55.98 1xpn s SER 11 Cb -0.14 -2.20 0.35 0.00 0.21 0.00 0.00 66.02 64.23 1xpn s SER 11 CO -0.22 -0.77 0.91 0.61 0.41 0.00 0.00 173.24 174.18 1xpn n GLY 12 N 5.23 5.17 3.93 3.44 0.00 -1.26 -5.09 105.19 116.61 1xpn n GLY 12 Ca -0.13 -2.54 -0.25 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.26 3.94 -0.50 0.99 1.43 -1.26 -5.07 118.68 114.94 1xpn s LEU 13 Ca 0.47 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1xpn s LEU 13 Cb 0.30 -3.48 0.19 0.00 0.03 0.00 0.00 46.19 43.23 1xpn s LEU 13 CO -0.13 -0.34 0.43 1.33 0.23 0.00 0.00 176.35 177.87 1xpn n VAL 14 N -1.74 -0.17 -2.93 -1.59 0.24 -1.26 -5.11 118.33 105.77 1xpn n VAL 14 Ca -0.03 -4.00 -0.23 0.00 -2.04 0.00 0.00 64.34 58.05 1xpn n VAL 14 Cb 0.56 -1.86 0.02 0.00 -1.47 0.00 0.00 33.84 31.08 1xpn n VAL 14 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1xpn s PRO 15 N -0.67 2.98 -0.36 7.34 0.04 -1.26 -4.99 135.00 138.08 1xpn s PRO 15 Ca 0.32 -0.55 -0.06 0.00 0.04 0.00 0.00 61.00 60.75 1xpn s PRO 15 Cb 0.04 -2.55 -0.14 0.00 0.04 0.00 0.00 34.50 31.89 1xpn s PRO 15 CO -0.17 -0.34 3.27 0.54 0.04 0.00 0.00 177.00 180.34 1xpn n ARG 16 N -2.12 2.41 -0.48 4.56 1.74 -1.26 -4.28 116.66 117.24 1xpn n ARG 16 Ca 0.03 -1.61 0.09 0.00 -0.77 0.00 0.00 57.85 55.58 1xpn n ARG 16 Cb 0.58 -2.15 0.30 0.00 -1.02 0.00 0.00 32.46 30.17 1xpn n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xpn n GLY 17 N 2.13 2.25 3.55 -0.13 0.00 -1.26 -4.88 105.19 106.85 1xpn n GLY 17 Ca 0.49 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1xpn n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpn s SER 18 N -0.88 4.64 -1.39 1.61 0.01 -1.26 -4.85 113.70 111.58 1xpn s SER 18 Ca 0.44 0.54 -0.08 0.00 1.31 0.00 0.00 55.95 58.16 1xpn s SER 18 Cb 0.27 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 64.06 1xpn s SER 18 CO 0.23 -2.90 2.38 0.00 0.41 0.00 0.00 173.24 173.37 1xpn n HIS 19 N 15.33 2.70 -3.73 2.43 1.44 -1.26 -4.83 115.22 127.30 1xpn n HIS 19 Ca 0.34 -2.88 -0.12 0.00 -2.01 0.00 0.00 57.72 53.05 1xpn n HIS 19 Cb 0.51 -2.05 -0.13 0.00 0.12 0.00 0.00 29.99 28.45 1xpn n HIS 19 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1xpn s MET 20 N 0.20 0.22 0.01 -1.40 -2.45 -1.26 -5.12 119.30 109.49 1xpn s MET 20 Ca 0.54 0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 55.21 1xpn s MET 20 Cb 0.16 -0.11 -0.07 0.00 1.25 0.00 0.00 34.83 36.06 1xpn s MET 20 CO -0.06 -0.16 1.77 0.00 1.05 0.00 0.00 175.02 177.61 1xpn s ALA 21 N 1.22 3.62 0.18 4.11 0.00 -1.26 -4.88 121.76 124.75 1xpn s ALA 21 Ca -0.09 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 1xpn s ALA 21 Cb -0.10 -3.77 0.08 0.00 0.00 0.00 0.00 23.12 19.33 1xpn s ALA 21 CO -0.08 -1.40 1.54 1.03 0.00 0.00 0.00 175.76 176.85 1xpn h SER 22 N 9.64 0.84 -2.00 0.00 0.87 -2.00 -3.41 113.55 117.51 1xpn h SER 22 Ca -0.44 -0.36 -0.27 0.00 -1.23 0.00 0.00 61.79 59.49 1xpn h SER 22 Cb 1.20 -0.24 -0.32 0.00 -0.44 0.00 0.00 62.40 62.61 1xpn h SER 22 CO 0.94 1.11 -0.59 0.21 -0.53 0.00 0.00 176.83 177.97 1xpn s ASN 23 N -6.82 1.16 0.24 6.23 2.47 -1.26 -5.06 114.94 111.90 1xpn s ASN 23 Ca -0.10 -0.56 -0.05 0.00 0.42 0.00 0.00 52.86 52.57 1xpn s ASN 23 Cb 0.12 0.74 0.42 0.00 -1.45 0.00 0.00 41.25 41.08 1xpn s ASN 23 CO 0.86 -0.37 1.75 1.55 -3.72 0.00 0.00 177.10 177.16 1xpn h PRO 24 N 8.23 0.49 -3.52 0.43 0.13 -2.00 -3.20 132.00 132.55 1xpn h PRO 24 Ca -0.12 -0.03 -0.76 0.00 -0.87 0.00 0.00 66.00 64.22 1xpn h PRO 24 Cb 1.10 -0.11 -0.31 0.00 0.13 0.00 0.00 31.00 31.81 1xpn h PRO 24 CO 0.31 0.32 0.13 1.21 -0.23 0.00 0.00 178.00 179.74 1xpn s ASN 25 N -5.40 6.58 -0.01 1.44 2.47 -1.26 -4.81 114.94 113.95 1xpn s ASN 25 Ca -0.12 -3.42 -0.13 0.00 0.42 0.00 0.00 52.86 49.60 1xpn s ASN 25 Cb 0.20 -2.07 -0.33 0.00 -1.45 0.00 0.00 41.25 37.59 1xpn s ASN 25 CO 0.76 -0.31 0.84 -0.78 -3.72 0.00 0.00 177.10 173.90 1xpn h ASP 26 N 6.66 0.74 -3.32 -4.21 3.58 -2.02 -3.44 116.42 114.41 1xpn h ASP 26 Ca 0.14 -0.92 -0.66 0.00 0.42 0.00 0.00 57.03 56.01 1xpn h ASP 26 Cb 0.89 -0.24 -0.27 0.00 1.72 0.00 0.00 39.33 41.43 1xpn h ASP 26 CO 0.89 1.75 -0.76 -0.76 -2.88 0.00 0.00 179.24 177.48 1xpn s LEU 27 N -7.45 2.73 1.01 2.28 1.43 -1.26 -5.04 118.68 112.38 1xpn s LEU 27 Ca -0.12 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 1xpn s LEU 27 Cb 0.05 -1.63 0.20 0.00 0.03 0.00 0.00 46.19 44.84 1xpn s LEU 27 CO 0.90 0.14 1.15 -2.16 0.23 0.00 0.00 176.35 176.61 1xpn s PRO 28 N 0.53 0.29 0.57 1.29 0.04 -1.26 -5.00 135.00 131.46 1xpn s PRO 28 Ca -0.08 0.13 -0.21 0.00 0.04 0.00 0.00 61.00 60.88 1xpn s PRO 28 Cb -0.16 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1xpn s PRO 28 CO 0.04 -2.74 1.36 0.16 0.04 0.00 0.00 177.00 175.86 1xpn s ASP 29 N -4.01 5.11 -0.22 6.66 -4.77 -1.26 -4.90 116.67 113.27 1xpn s ASP 29 Ca 0.67 2.77 -0.29 0.00 -3.30 0.00 0.00 52.55 52.40 1xpn s ASP 29 Cb -0.13 -2.63 -0.02 0.00 -1.09 0.00 0.00 42.92 39.05 1xpn s ASP 29 CO 0.55 -1.68 1.48 -0.36 0.70 0.00 0.00 175.17 175.85 1xpn s PHE 30 N -1.30 2.37 0.22 2.11 0.40 -1.26 -4.90 117.98 115.61 1xpn s PHE 30 Ca 0.74 0.67 -0.09 0.00 -0.60 0.00 0.00 56.93 57.65 1xpn s PHE 30 Cb -0.41 -3.89 0.21 0.00 0.51 0.00 0.00 43.02 39.45 1xpn s PHE 30 CO 0.47 -2.49 1.87 -1.35 0.70 0.00 0.00 175.22 174.43 1xpn h PRO 31 N 9.84 0.98 0.00 0.24 0.11 -2.01 -3.45 132.00 137.71 1xpn h PRO 31 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xpn h PRO 31 Cb 1.13 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xpn h PRO 31 CO 1.00 0.65 0.00 -1.91 -0.21 0.00 0.00 178.00 177.53 1xpn n GLU 32 N -4.58 0.00 0.33 1.05 2.13 -1.26 -3.87 120.64 114.44 1xpn n GLU 32 Ca 0.09 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.11 1xpn n GLU 32 Cb 0.06 0.00 1.12 0.00 0.27 0.00 0.00 31.44 32.89 1xpn n GLU 32 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 1xpn h HIS 33 N 0.00 0.00 -0.33 4.31 2.07 -1.99 0.42 115.15 119.64 1xpn h HIS 33 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1xpn h HIS 33 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1xpn h HIS 33 CO 0.00 0.00 0.07 1.49 -3.07 0.00 0.00 177.93 176.42 1xpn h GLU 34 N 0.00 0.47 -0.40 5.12 4.81 -1.98 -1.03 114.58 121.58 1xpn h GLU 34 Ca 0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1xpn h GLU 34 Cb 0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1xpn h GLU 34 CO -0.00 0.45 0.08 1.88 -0.73 0.00 0.00 179.01 180.69 1xpn h TYR 35 N 0.47 0.68 0.00 0.92 0.05 -1.25 -2.83 116.97 115.01 1xpn h TYR 35 Ca 0.11 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1xpn h TYR 35 Cb 0.20 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1xpn h TYR 35 CO 0.01 0.66 0.00 0.00 -1.05 0.00 0.00 178.16 177.78 1xpn n ALA 36 N -2.36 2.19 1.59 3.88 0.00 -0.79 -2.64 120.51 122.39 1xpn n ALA 36 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1xpn n ALA 36 Cb 0.22 -1.40 0.53 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.37 2.58 -2.76 0.00 0.00 -0.46 -4.86 120.51 113.64 1xpn n ALA 37 Ca 0.09 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 1xpn n ALA 37 Cb 0.23 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.92 5.18 0.36 0.00 -4.23 -1.08 -5.08 115.64 108.87 1xpn s THR 38 Ca 0.35 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.32 1xpn s THR 38 Cb 0.18 -3.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.18 1xpn s THR 38 CO 0.28 -0.25 0.75 -1.10 -0.54 0.00 0.00 174.62 173.76 1xpn s GLN 39 N -3.54 3.89 -0.23 3.99 -1.52 -1.26 -5.01 119.66 115.98 1xpn s GLN 39 Ca 0.39 0.56 -0.05 0.00 -1.95 0.00 0.00 55.36 54.31 1xpn s GLN 39 Cb -0.11 -2.41 -0.18 0.00 -0.22 0.00 0.00 33.01 30.09 1xpn s GLN 39 CO 0.30 0.06 -0.10 0.94 -0.25 0.00 0.00 175.29 176.24 1xpn n GLN 40 N -0.83 0.65 -3.56 2.91 -0.06 -1.26 -4.68 117.38 110.55 1xpn n GLN 40 Ca 0.03 0.23 -0.38 0.00 -2.00 0.00 0.00 57.00 54.87 1xpn n GLN 40 Cb 0.54 -1.57 -0.10 0.00 -4.06 0.00 0.00 30.24 25.04 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 -2.51 5.29 0.00 1.69 1.01 -1.26 -4.53 120.40 120.09 1xpn s VAL 41 Ca -0.33 0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1xpn s VAL 41 Cb 0.09 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1xpn s VAL 41 CO 0.61 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.57 1xpn n GLY 42 N 4.87 5.39 0.10 4.51 0.00 -0.86 -4.52 105.19 114.68 1xpn n GLY 42 Ca -0.13 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 2.62 -0.37 3.67 -0.02 0.00 -1.17 -3.65 105.19 106.27 1xpn n GLY 43 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1xpn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xpn s GLY 44 N -0.75 1.61 -0.30 -0.02 0.00 0.30 -4.48 107.32 103.68 1xpn s GLY 44 Ca 0.03 0.83 -0.10 0.00 0.00 0.00 0.00 44.72 45.49 1xpn s GLY 44 CO 0.09 2.82 0.15 0.14 0.00 0.00 0.00 173.10 176.30 1xpn s VAL 45 N 3.57 4.70 -0.33 1.40 1.01 -1.25 -1.78 120.40 127.73 1xpn s VAL 45 Ca 0.68 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1xpn s VAL 45 Cb -0.31 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1xpn s VAL 45 CO 0.26 0.13 0.09 -0.63 0.00 0.00 0.00 175.10 174.95 1xpn s ILE 46 N 1.64 3.71 -0.45 2.22 1.01 0.64 -0.33 121.20 129.64 1xpn s ILE 46 Ca 0.05 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1xpn s ILE 46 Cb -0.17 -3.07 0.08 0.00 0.01 0.00 0.00 42.46 39.31 1xpn s ILE 46 CO 0.07 -0.12 0.34 0.20 0.00 0.00 0.00 174.94 175.43 1xpn s ASN 47 N 1.40 5.94 -0.08 3.58 0.02 -0.06 -0.86 114.94 124.89 1xpn s ASN 47 Ca -0.01 -1.41 -0.03 0.00 -1.02 0.00 0.00 52.86 50.38 1xpn s ASN 47 Cb -0.19 -2.11 -0.04 0.00 0.02 0.00 0.00 41.25 38.94 1xpn s ASN 47 CO 0.02 -0.61 0.07 -0.83 0.02 0.00 0.00 177.10 175.77 1xpn s GLY 48 N 2.44 1.99 -0.29 0.66 0.00 -0.37 -1.47 107.32 110.29 1xpn s GLY 48 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1xpn s GLY 48 CO 0.05 -0.55 -0.04 -0.35 0.00 0.00 0.00 173.10 172.21 1xpn s ASP 49 N -1.15 4.74 -0.12 1.64 2.15 -0.19 -2.40 116.67 121.34 1xpn s ASP 49 Ca 0.16 -1.35 -0.22 0.00 0.43 0.00 0.00 52.55 51.58 1xpn s ASP 49 Cb -0.12 -1.65 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 1xpn s ASP 49 CO 0.06 -0.24 0.63 -0.22 -0.17 0.00 0.00 175.17 175.23 1xpn s LEU 50 N 1.19 4.25 -0.30 -1.34 2.96 -0.34 -0.17 118.68 124.94 1xpn s LEU 50 Ca -0.06 1.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1xpn s LEU 50 Cb -0.20 -2.95 0.18 0.00 0.50 0.00 0.00 46.19 43.73 1xpn s LEU 50 CO -0.03 -0.14 0.90 -0.72 -1.32 0.00 0.00 176.35 175.03 1xpn s TYR 51 N 1.12 -0.90 -0.34 5.38 1.13 -1.05 -4.42 117.35 118.27 1xpn s TYR 51 Ca 0.32 0.97 -0.13 0.00 -1.41 0.00 0.00 57.07 56.82 1xpn s TYR 51 Cb -0.17 0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1xpn s TYR 51 CO 0.14 -0.49 0.27 -0.51 -2.51 0.00 0.00 175.55 172.44 1xpn s LEU 52 N 2.92 4.52 -0.11 -3.49 1.43 0.88 -4.50 118.68 120.32 1xpn s LEU 52 Ca 0.06 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 1xpn s LEU 52 Cb -0.12 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 1xpn s LEU 52 CO -0.14 -0.26 0.94 -0.89 0.23 0.00 0.00 176.35 176.22 1xpn s THR 53 N 1.78 4.83 0.85 5.49 2.01 -1.26 -1.75 115.64 127.60 1xpn s THR 53 Ca 0.07 1.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.86 1xpn s THR 53 Cb -0.17 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.19 1xpn s THR 53 CO 0.11 0.03 1.09 -0.44 -0.69 0.00 0.00 174.62 174.73 1xpn s SER 54 N 1.09 3.82 0.29 3.53 0.01 0.41 -4.87 113.70 117.98 1xpn s SER 54 Ca 0.45 1.71 0.21 0.00 1.31 0.00 0.00 55.95 59.63 1xpn s SER 54 Cb -0.18 -2.37 1.08 0.00 0.21 0.00 0.00 66.02 64.76 1xpn s SER 54 CO 0.17 -2.45 1.64 0.00 0.41 0.00 0.00 173.24 173.01 1xpn n ALA 55 N -3.78 1.18 0.86 1.44 0.00 -1.26 -0.21 120.51 118.74 1xpn n ALA 55 Ca 0.08 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1xpn n ALA 55 Cb 0.54 -1.32 0.53 0.00 0.00 0.00 0.00 19.45 19.20 1xpn n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xpn n SER 56 N -2.22 0.31 0.00 0.00 7.64 -1.26 -4.90 113.62 113.19 1xpn n SER 56 Ca -0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1xpn n SER 56 Cb 0.08 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 57 N 1.43 0.80 3.75 0.23 0.00 0.71 -5.06 105.19 107.05 1xpn n GLY 57 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.10 3.46 -0.39 4.61 0.00 -1.25 -4.85 121.76 121.23 1xpn s ALA 58 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1xpn s ALA 58 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.34 1xpn s ALA 58 CO 0.00 0.11 0.45 0.42 0.00 0.00 0.00 175.76 176.75 1xpn s ILE 59 N 0.00 5.07 -0.38 0.00 1.01 -1.26 -0.45 121.20 125.19 1xpn s ILE 59 Ca 0.32 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1xpn s ILE 59 Cb -0.18 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1xpn s ILE 59 CO 0.17 -0.33 0.38 -1.10 0.00 0.00 0.00 174.94 174.06 1xpn s GLN 60 N 2.22 3.29 0.00 2.79 1.11 -0.71 -4.95 119.66 123.41 1xpn s GLN 60 Ca 0.14 -0.65 0.28 0.00 0.01 0.00 0.00 55.36 55.15 1xpn s GLN 60 Cb -0.16 -3.89 1.53 0.00 -1.01 0.00 0.00 33.01 29.47 1xpn s GLN 60 CO 0.14 -0.69 1.99 1.63 0.01 0.00 0.00 175.29 178.37 1xpn n LYS 61 N 5.43 0.61 -2.16 2.91 4.76 -1.26 -0.08 118.16 128.36 1xpn n LYS 61 Ca -0.09 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.35 1xpn n LYS 61 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.94 -2.32 3.67 0.72 0.00 -1.26 -3.86 105.19 103.08 1xpn n GLY 62 Ca 0.17 0.36 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.34 5.20 -1.34 2.61 -4.23 -1.26 -4.07 115.64 111.21 1xpn s THR 63 Ca 0.06 0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1xpn s THR 63 Cb -0.02 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1xpn s THR 63 CO 0.40 0.25 0.61 -3.20 -0.54 0.00 0.00 174.62 172.14 1xpn n ASN 64 N 4.49 -5.63 -4.82 3.99 5.15 -0.93 -4.97 115.26 112.55 1xpn n ASN 64 Ca -0.08 -0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.24 1xpn n ASN 64 Cb 0.51 -4.43 -0.06 0.00 -0.53 0.00 0.00 39.78 35.27 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xpn s THR 65 N -3.13 5.23 -0.30 -0.44 2.01 -1.25 -4.83 115.64 112.93 1xpn s THR 65 Ca 0.30 0.60 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 1xpn s THR 65 Cb -0.13 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1xpn s THR 65 CO 0.37 0.54 0.54 -0.75 -0.69 0.00 0.00 174.62 174.64 1xpn s LYS 66 N -0.66 3.91 -0.15 4.92 2.20 -1.26 -0.90 119.74 127.79 1xpn s LYS 66 Ca 0.20 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1xpn s LYS 66 Cb -0.14 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 1xpn s LYS 66 CO 0.08 -0.48 -0.11 0.08 -0.36 0.00 0.00 175.35 174.56 1xpn s VAL 67 N 2.41 3.14 -0.24 4.02 1.01 0.96 -4.24 120.40 127.45 1xpn s VAL 67 Ca 0.21 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1xpn s VAL 67 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1xpn s VAL 67 CO 0.11 0.50 0.08 0.00 0.00 0.00 0.00 175.10 175.79 1xpn s ALA 68 N 0.63 3.23 -0.34 5.51 0.00 -0.38 -0.04 121.76 130.37 1xpn s ALA 68 Ca -0.06 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1xpn s ALA 68 Cb -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1xpn s ALA 68 CO 0.03 -0.38 0.19 -1.17 0.00 0.00 0.00 175.76 174.42 1xpn s LEU 69 N 1.43 4.38 0.07 0.00 0.20 0.13 -0.64 118.68 124.23 1xpn s LEU 69 Ca 0.06 -0.65 0.07 0.00 0.69 0.00 0.00 54.13 54.30 1xpn s LEU 69 Cb -0.15 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1xpn s LEU 69 CO 0.04 -0.26 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.07 1xpn s GLU 70 N 1.62 2.04 0.03 1.98 2.02 0.67 -0.23 118.70 126.83 1xpn s GLU 70 Ca 0.04 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 1xpn s GLU 70 Cb -0.18 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1xpn s GLU 70 CO 0.07 0.53 1.27 -1.25 0.02 0.00 0.00 175.26 175.90 1xpn s PRO 71 N -1.72 4.37 -0.55 0.39 0.04 -1.26 0.23 135.00 136.50 1xpn s PRO 71 Ca 0.17 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 1xpn s PRO 71 Cb -0.11 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1xpn s PRO 71 CO 0.08 -0.39 1.36 0.00 0.04 0.00 0.00 177.00 178.09 1xpn s ALA 72 N 1.57 2.88 0.21 8.56 0.00 -0.58 -4.84 121.76 129.56 1xpn s ALA 72 Ca 0.60 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1xpn s ALA 72 Cb -0.30 -4.07 0.03 0.00 0.00 0.00 0.00 23.12 18.78 1xpn s ALA 72 CO 0.27 -2.82 0.25 0.25 0.00 0.00 0.00 175.76 173.72 1xpn n THR 73 N 6.83 0.00 0.21 0.00 -2.24 -1.26 -4.81 114.28 113.01 1xpn n THR 73 Ca 0.12 -0.75 0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1xpn n THR 73 Cb 0.49 -0.67 0.21 0.00 -2.10 0.00 0.00 70.33 68.26 1xpn n THR 73 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xpn h SER 74 N 0.10 0.00 0.85 3.42 0.02 -1.97 -3.17 113.55 112.80 1xpn h SER 74 Ca -0.11 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.61 1xpn h SER 74 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1xpn h SER 74 CO 0.16 0.12 -1.17 0.22 -1.14 0.00 0.00 176.83 175.02 1xpn h TYR 75 N 0.00 0.08 -0.03 3.45 3.20 -1.96 -3.37 116.97 118.33 1xpn h TYR 75 Ca -0.00 -0.06 -0.62 0.00 3.14 0.00 0.00 58.73 61.20 1xpn h TYR 75 Cb 1.02 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.30 1xpn h TYR 75 CO 0.00 1.05 3.34 -1.33 -1.64 0.00 0.00 178.16 179.58 1xpn n MET 76 N -3.33 3.53 0.02 1.82 2.81 -1.20 -4.00 117.12 116.78 1xpn n MET 76 Ca -0.04 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.75 1xpn n MET 76 Cb 0.97 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 1xpn n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xpn n LYS 77 N 3.40 0.00 -0.37 0.03 5.02 -1.26 -4.67 118.16 120.32 1xpn n LYS 77 Ca 0.74 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 57.05 1xpn n LYS 77 Cb 0.31 -0.10 0.17 0.00 -0.02 0.00 0.00 35.03 35.38 1xpn n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xpn h ALA 78 N 0.00 1.36 -0.32 7.82 0.00 -1.89 0.48 119.26 126.72 1xpn h ALA 78 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xpn h ALA 78 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1xpn h ALA 78 CO 0.00 0.45 0.18 -0.92 0.00 0.00 0.00 179.25 178.96 1xpn h TYR 79 N 1.18 0.43 -0.03 0.00 3.20 -1.90 -2.14 116.97 117.72 1xpn h TYR 79 Ca 0.42 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1xpn h TYR 79 Cb 0.14 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1xpn h TYR 79 CO -0.00 0.34 0.00 0.66 -1.64 0.00 0.00 178.16 177.52 1xpn n TYR 80 N -4.80 0.03 0.06 -3.82 4.01 -0.82 -1.51 117.16 110.30 1xpn n TYR 80 Ca -0.01 -0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 1xpn n TYR 80 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 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 4.09 0.56 0.00 -0.72 0.00 -0.28 -2.27 119.26 120.64 1xpn h ALA 81 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1xpn h ALA 81 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xpn h ALA 81 CO 0.00 1.11 -0.20 0.87 0.00 0.00 0.00 179.25 181.03 1xpn h LYS 82 N 0.00 0.00 -0.02 0.00 1.57 -1.07 -3.40 116.57 113.66 1xpn h LYS 82 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xpn h LYS 82 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 1xpn h LYS 82 CO 0.09 0.00 -0.06 1.19 -0.57 0.00 0.00 179.45 180.10 1xpn n PHE 83 N -4.13 0.00 -2.18 -1.35 3.72 -0.57 -4.79 117.46 108.15 1xpn n PHE 83 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 1xpn n PHE 83 Cb 0.10 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 1xpn n PHE 83 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xpn s GLY 84 N -2.11 1.53 -1.13 1.37 0.00 -0.85 -3.20 107.32 102.93 1xpn s GLY 84 Ca 0.33 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 1xpn s GLY 84 CO 0.37 2.83 0.82 0.70 0.00 0.00 0.00 173.10 177.82 1xpn n ASN 85 N 7.12 -5.43 -4.44 1.64 3.02 -1.05 -4.88 115.26 111.23 1xpn n ASN 85 Ca 0.16 -0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 53.37 1xpn n ASN 85 Cb 0.44 -3.83 -0.11 0.00 -0.61 0.00 0.00 39.78 35.67 1xpn n ASN 85 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xpn s LEU 86 N -6.23 4.58 0.78 3.41 0.20 -1.07 -4.93 118.68 115.42 1xpn s LEU 86 Ca 0.45 -0.72 -0.12 0.00 0.69 0.00 0.00 54.13 54.43 1xpn s LEU 86 Cb -0.14 -2.07 0.07 0.00 -0.43 0.00 0.00 46.19 43.62 1xpn s LEU 86 CO 0.83 -0.31 1.13 -0.62 -0.29 0.00 0.00 176.35 177.09 1xpn s ASP 87 N 1.63 4.11 0.57 3.68 -1.08 -1.26 -1.82 116.67 122.50 1xpn s ASP 87 Ca 0.04 2.06 0.25 0.00 -0.52 0.00 0.00 52.55 54.38 1xpn s ASP 87 Cb -0.18 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.37 1xpn s ASP 87 CO 0.08 -2.31 2.22 0.00 0.52 0.00 0.00 175.17 175.68 1xpn h ALA 88 N -0.97 1.69 0.00 3.66 0.00 -1.68 0.15 119.26 122.11 1xpn h ALA 88 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 88 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpn h ALA 88 CO 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1xpn n ALA 89 N -2.39 2.24 -0.20 0.00 0.00 -1.26 -3.07 120.51 115.83 1xpn n ALA 89 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1xpn n ALA 89 Cb 0.09 -1.45 0.30 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.76 3.04 -2.58 0.00 5.02 0.54 -4.84 118.16 117.58 1xpn n LYS 90 Ca 0.06 -2.40 -0.41 0.00 -2.02 0.00 0.00 58.31 53.54 1xpn n LYS 90 Cb 0.35 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1xpn n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xpn s ARG 91 N -1.58 3.45 -0.00 1.97 1.81 -1.17 -4.88 118.95 118.55 1xpn s ARG 91 Ca 0.44 -0.85 -0.27 0.00 -1.72 0.00 0.00 55.73 53.32 1xpn s ARG 91 Cb 0.26 -4.93 -0.04 0.00 -0.45 0.00 0.00 34.95 29.80 1xpn s ARG 91 CO 0.24 -2.16 0.86 0.34 -0.68 0.00 0.00 175.30 173.90 1xpn s ASP 92 N 4.49 7.25 0.35 0.23 -1.08 -1.26 -4.95 116.67 121.70 1xpn s ASP 92 Ca 0.41 1.50 0.26 0.00 -0.52 0.00 0.00 52.55 54.21 1xpn s ASP 92 Cb -0.03 -2.51 1.21 0.00 -1.46 0.00 0.00 42.92 40.12 1xpn s ASP 92 CO -0.01 -0.16 1.80 1.55 0.52 0.00 0.00 175.17 178.87 1xpn h PRO 93 N 6.49 0.00 0.00 4.34 0.13 -2.02 -2.55 132.00 138.40 1xpn h PRO 93 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1xpn h PRO 93 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1xpn h PRO 93 CO 0.74 0.00 -1.86 -3.47 -0.23 0.00 0.00 178.00 173.18 1xpn n ASP 94 N -2.45 0.23 -4.55 1.44 2.03 -1.26 -4.76 116.55 107.22 1xpn n ASP 94 Ca 0.01 0.09 -0.38 0.00 0.52 0.00 0.00 54.79 55.02 1xpn n ASP 94 Cb 0.18 1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 41.91 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 -3.23 3.60 -0.09 5.18 1.01 -0.96 -4.98 120.40 120.93 1xpn s VAL 95 Ca -0.07 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1xpn s VAL 95 Cb 0.11 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1xpn s VAL 95 CO 0.87 -1.46 0.25 -1.10 0.00 0.00 0.00 175.10 173.66 1xpn s GLN 96 N 6.19 3.78 -0.23 2.72 -0.21 -1.26 -4.83 119.66 125.82 1xpn s GLN 96 Ca 0.51 0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.68 1xpn s GLN 96 Cb -0.08 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1xpn s GLN 96 CO 0.11 0.63 1.42 -2.14 -2.12 0.00 0.00 175.29 173.19 1xpn s PRO 97 N -0.70 3.97 0.41 2.91 0.02 -1.26 -5.01 135.00 135.33 1xpn s PRO 97 Ca 0.18 1.54 -0.24 0.00 0.02 0.00 0.00 61.00 62.50 1xpn s PRO 97 Cb -0.14 -3.91 -0.09 0.00 0.02 0.00 0.00 34.50 30.38 1xpn s PRO 97 CO 0.07 -1.07 1.06 -2.14 -0.33 0.00 0.00 177.00 174.60 1xpn s PRO 98 N 4.18 4.12 -0.16 5.54 0.02 -1.26 -5.01 135.00 142.43 1xpn s PRO 98 Ca 0.62 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 1xpn s PRO 98 Cb -0.22 -2.53 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 1xpn s PRO 98 CO 0.24 -0.19 1.14 0.08 -0.33 0.00 0.00 177.00 177.94 1xpn s VAL 99 N -1.64 4.49 0.00 3.83 1.01 -1.26 -5.03 120.40 121.80 1xpn s VAL 99 Ca 0.58 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.36 1xpn s VAL 99 Cb -0.23 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1xpn s VAL 99 CO 0.28 -0.11 0.00 0.18 0.00 0.00 0.00 175.10 175.46 1xpn n LEU 100 N 6.05 0.00 -4.75 3.92 4.77 -1.26 -5.06 117.00 120.66 1xpn n LEU 100 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1xpn n LEU 100 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1xpn n LEU 100 CO 0.54 -0.47 0.83 1.51 -1.33 0.00 0.00 177.39 178.47 1xpn s ASP 101 N -1.00 5.11 0.06 -1.43 -4.77 -1.26 -4.93 116.67 108.45 1xpn s ASP 101 Ca 0.00 2.34 0.24 0.00 -3.30 0.00 0.00 52.55 51.84 1xpn s ASP 101 Cb 0.00 -2.59 0.99 0.00 -1.09 0.00 0.00 42.92 40.22 1xpn s ASP 101 CO 0.00 -1.64 1.77 -0.81 0.70 0.00 0.00 175.17 175.18 1xpn n PRO 102 N -1.75 0.06 -0.20 2.11 -0.04 -1.26 -3.21 135.00 130.71 1xpn n PRO 102 Ca 0.13 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1xpn n PRO 102 Cb 0.50 -1.58 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1xpn n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpn h ARG 103 N 0.00 1.05 -0.60 0.54 -0.00 -1.94 -2.70 114.38 110.73 1xpn h ARG 103 Ca 0.00 -0.33 0.12 0.00 -0.50 0.00 0.00 59.98 59.28 1xpn h ARG 103 Cb 0.46 -0.10 -0.11 0.00 0.00 0.00 0.00 29.97 30.22 1xpn h ARG 103 CO 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 179.97 180.89 1xpn h ARG 104 N 0.96 0.03 -0.49 0.04 3.08 -1.94 -1.39 114.38 114.67 1xpn h ARG 104 Ca 0.17 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.36 1xpn h ARG 104 Cb 0.55 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1xpn h ARG 104 CO 0.03 0.02 0.35 0.00 -1.07 0.00 0.00 179.97 179.30 1xpn h ALA 105 N 1.58 2.41 0.18 0.04 0.00 -1.66 0.41 119.26 122.23 1xpn h ALA 105 Ca 0.30 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.93 1xpn h ALA 105 Cb 0.46 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xpn h ALA 105 CO -0.58 -0.55 -1.13 1.15 0.00 0.00 0.00 179.25 178.14 1xpn h THR 106 N 0.04 1.39 0.00 0.00 2.02 -1.31 -3.37 112.91 111.68 1xpn h THR 106 Ca 0.23 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1xpn h THR 106 Cb 0.88 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1xpn h THR 106 CO -0.01 0.75 -1.23 -1.22 0.37 0.00 0.00 175.52 174.19 1xpn n TYR 107 N -3.93 0.30 -2.35 3.16 4.01 -0.52 -4.83 117.16 113.00 1xpn n TYR 107 Ca -0.15 0.09 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 1xpn n TYR 107 Cb 0.95 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 39.45 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 -3.28 4.11 -0.26 -0.72 1.01 0.13 -4.61 120.40 116.78 1xpn s VAL 108 Ca 0.01 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 1xpn s VAL 108 Cb 0.14 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xpn s VAL 108 CO 0.83 -0.08 0.36 -0.13 0.00 0.00 0.00 175.10 176.08 1xpn s ARG 109 N 3.12 4.03 -0.20 2.72 0.52 0.68 -4.89 118.95 124.93 1xpn s ARG 109 Ca 0.59 0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.73 1xpn s ARG 109 Cb -0.25 -3.64 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 1xpn s ARG 109 CO 0.20 -0.24 0.11 -1.21 0.02 0.00 0.00 175.30 174.18 1xpn s GLU 110 N 1.94 4.06 0.04 3.54 0.41 -1.26 0.21 118.70 127.65 1xpn s GLU 110 Ca 0.15 -0.29 0.08 0.00 -0.41 0.00 0.00 54.97 54.49 1xpn s GLU 110 Cb -0.16 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.81 1xpn s GLU 110 CO 0.10 0.23 -0.21 0.00 -0.49 0.00 0.00 175.26 174.88 1xpn s ALA 111 N 0.53 1.82 -0.33 5.21 0.00 0.94 -4.96 121.76 124.97 1xpn s ALA 111 Ca 0.06 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1xpn s ALA 111 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1xpn s ALA 111 CO 0.00 0.41 0.11 0.99 0.00 0.00 0.00 175.76 177.27 1xpn s THR 112 N -0.79 3.92 0.24 0.00 2.01 -1.26 -0.03 115.64 119.72 1xpn s THR 112 Ca 0.08 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1xpn s THR 112 Cb -0.09 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 1xpn s THR 112 CO 0.02 -0.11 1.37 0.42 -0.69 0.00 0.00 174.62 175.62 1xpn s THR 113 N 1.45 2.90 1.10 -0.82 -4.23 -0.08 -4.88 115.64 111.08 1xpn s THR 113 Ca -0.00 0.77 -0.14 0.00 -1.18 0.00 0.00 61.69 61.14 1xpn s THR 113 Cb -0.19 -3.49 0.24 0.00 1.34 0.00 0.00 72.50 70.40 1xpn s THR 113 CO 0.03 0.13 1.07 -1.81 -0.54 0.00 0.00 174.62 173.49 1xpn s ASP 114 N 0.23 1.70 0.46 3.99 1.11 0.03 -2.18 116.67 122.02 1xpn s ASP 114 Ca 0.57 1.19 0.30 0.00 0.18 0.00 0.00 52.55 54.79 1xpn s ASP 114 Cb -0.39 -1.85 1.21 0.00 1.07 0.00 0.00 42.92 42.95 1xpn s ASP 114 CO 0.42 -3.71 1.89 -0.61 1.18 0.00 0.00 175.17 174.35 1xpn h GLN 115 N -2.29 0.00 -0.62 8.23 4.15 -1.90 -1.89 115.11 120.79 1xpn h GLN 115 Ca -0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1xpn h GLN 115 Cb 1.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1xpn h GLN 115 CO 0.53 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 177.52 1xpn n ASN 116 N -2.84 3.29 -2.55 -0.69 3.02 -1.26 -4.84 115.26 109.40 1xpn n ASN 116 Ca 0.01 -2.33 -0.13 0.00 -0.03 0.00 0.00 54.58 52.11 1xpn n ASN 116 Cb 0.30 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.75 -0.05 3.47 7.41 0.00 -0.71 -4.87 105.19 111.19 1xpn n GLY 117 Ca 0.16 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1xpn n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpn s ARG 118 N -5.33 3.25 -0.10 1.61 1.81 -1.24 -1.19 118.95 117.76 1xpn s ARG 118 Ca 0.18 -0.60 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1xpn s ARG 118 Cb -0.08 -2.69 0.05 0.00 -0.45 0.00 0.00 34.95 31.78 1xpn s ARG 118 CO 0.47 0.37 0.21 -0.59 -0.68 0.00 0.00 175.30 175.08 1xpn s PHE 119 N -0.02 -0.28 -0.22 -0.53 -0.71 -1.01 -0.79 117.98 114.42 1xpn s PHE 119 Ca -0.01 0.72 0.02 0.00 -1.04 0.00 0.00 56.93 56.62 1xpn s PHE 119 Cb -0.14 -0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1xpn s PHE 119 CO 0.03 -0.25 -0.14 0.34 -1.34 0.00 0.00 175.22 173.86 1xpn s ASP 120 N 1.66 3.85 -0.02 1.98 2.15 -1.26 -1.23 116.67 123.81 1xpn s ASP 120 Ca -0.05 -1.01 0.04 0.00 0.43 0.00 0.00 52.55 51.96 1xpn s ASP 120 Cb -0.11 -1.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.94 1xpn s ASP 120 CO -0.07 -0.10 -0.12 -0.36 -0.17 0.00 0.00 175.17 174.35 1xpn s PHE 121 N 1.21 2.75 -0.02 -5.34 0.08 -0.04 -5.02 117.98 111.59 1xpn s PHE 121 Ca -0.02 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 1xpn s PHE 121 Cb -0.17 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1xpn s PHE 121 CO -0.08 0.27 0.26 0.34 -0.10 0.00 0.00 175.22 175.91 1xpn s ASP 122 N -1.10 -0.15 -0.94 1.36 2.15 -1.26 -0.26 116.67 116.48 1xpn s ASP 122 Ca 0.14 0.07 -0.04 0.00 0.43 0.00 0.00 52.55 53.15 1xpn s ASP 122 Cb -0.11 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.79 1xpn s ASP 122 CO 0.04 -0.38 0.84 1.41 -0.17 0.00 0.00 175.17 176.90 1xpn n HIS 123 N 1.53 -2.64 -4.78 -5.34 8.25 -0.96 -4.92 115.22 106.37 1xpn n HIS 123 Ca -0.21 0.95 -0.31 0.00 -0.26 0.00 0.00 57.72 57.90 1xpn n HIS 123 Cb 0.56 -4.11 -0.17 0.00 1.12 0.00 0.00 29.99 27.40 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 -3.25 1.83 0.89 1.59 1.01 -0.73 -2.03 121.20 120.50 1xpn s ILE 124 Ca 0.29 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 1xpn s ILE 124 Cb -0.04 -1.62 0.13 0.00 0.01 0.00 0.00 42.46 40.94 1xpn s ILE 124 CO 0.75 0.51 1.13 -2.84 0.00 0.00 0.00 174.94 174.49 1xpn s PRO 125 N 0.70 1.27 0.24 2.79 0.02 -1.26 -0.54 135.00 138.22 1xpn s PRO 125 Ca -0.11 1.45 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 1xpn s PRO 125 Cb -0.16 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1xpn s PRO 125 CO 0.02 -2.43 1.26 -0.80 -0.33 0.00 0.00 177.00 174.73 1xpn s ASN 126 N -2.83 6.94 0.00 2.53 -0.87 -1.26 -4.84 114.94 114.61 1xpn s ASN 126 Ca 0.66 2.43 0.00 0.00 -1.57 0.00 0.00 52.86 54.38 1xpn s ASN 126 Cb -0.22 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.39 1xpn s ASN 126 CO 0.58 -0.45 0.00 0.61 -2.57 0.00 0.00 177.10 175.26 1xpn n GLY 127 N 1.78 -1.43 3.78 0.66 0.00 -0.29 -5.00 105.19 104.70 1xpn n GLY 127 Ca 0.03 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.59 5.34 0.09 2.61 -4.23 -1.26 -0.81 115.64 114.78 1xpn s THR 128 Ca 0.00 0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 1xpn s THR 128 Cb 0.00 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 1xpn s THR 128 CO 0.00 0.49 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.18 1xpn s TYR 129 N -0.17 0.93 -0.23 3.99 2.02 0.39 -1.52 117.35 122.75 1xpn s TYR 129 Ca 0.15 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 1xpn s TYR 129 Cb -0.13 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1xpn s TYR 129 CO 0.04 -0.08 -0.05 0.71 -1.57 0.00 0.00 175.55 174.60 1xpn s TYR 130 N -2.84 3.00 -0.46 2.71 2.02 0.14 -0.24 117.35 121.67 1xpn s TYR 130 Ca 0.06 -1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 55.34 1xpn s TYR 130 Cb -0.00 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1xpn s TYR 130 CO -0.02 -0.65 0.46 0.42 -1.57 0.00 0.00 175.55 174.19 1xpn s ILE 131 N 1.40 5.10 -0.11 2.71 1.01 0.45 -0.24 121.20 131.52 1xpn s ILE 131 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1xpn s ILE 131 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1xpn s ILE 131 CO -0.04 -0.56 -0.17 -0.55 0.00 0.00 0.00 174.94 173.62 1xpn s SER 132 N 2.26 2.57 -0.02 3.58 0.15 0.18 0.02 113.70 122.45 1xpn s SER 132 Ca 0.10 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1xpn s SER 132 Cb -0.20 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1xpn s SER 132 CO 0.11 0.03 -0.02 -0.94 1.20 0.00 0.00 173.24 173.63 1xpn s SER 133 N 0.91 0.42 -0.45 5.45 1.04 -0.62 -1.25 113.70 119.20 1xpn s SER 133 Ca -0.08 -0.05 -0.20 0.00 0.48 0.00 0.00 55.95 56.11 1xpn s SER 133 Cb -0.15 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1xpn s SER 133 CO -0.01 -0.04 0.60 -0.70 0.98 0.00 0.00 173.24 174.08 1xpn s GLU 134 N 0.53 3.21 -0.19 4.02 2.12 -1.26 -1.37 118.70 125.76 1xpn s GLU 134 Ca -0.05 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1xpn s GLU 134 Cb -0.08 -3.98 0.06 0.00 0.26 0.00 0.00 34.13 30.38 1xpn s GLU 134 CO -0.01 -1.02 0.01 -1.17 -0.54 0.00 0.00 175.26 172.53 1xpn s LEU 135 N 2.66 1.43 0.06 2.70 2.96 0.23 -4.83 118.68 123.89 1xpn s LEU 135 Ca 0.19 -0.83 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 1xpn s LEU 135 Cb -0.15 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 1xpn s LEU 135 CO 0.17 -0.28 -0.19 0.42 -1.32 0.00 0.00 176.35 175.15 1xpn s THR 136 N 1.76 2.75 0.29 3.68 -4.23 -1.26 -0.72 115.64 117.91 1xpn s THR 136 Ca -0.01 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1xpn s THR 136 Cb -0.17 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1xpn s THR 136 CO -0.07 0.28 0.39 -1.66 -0.54 0.00 0.00 174.62 173.01 1xpn s TRP 137 N -0.97 1.02 -0.12 3.99 -2.14 -0.38 -4.97 118.94 115.36 1xpn s TRP 137 Ca 0.15 -1.23 0.02 0.00 2.66 0.00 0.00 56.10 57.70 1xpn s TRP 137 Cb -0.10 -0.19 0.01 0.00 -3.10 0.00 0.00 33.47 30.09 1xpn s TRP 137 CO 0.06 -0.98 -0.17 -1.54 -2.66 0.00 0.00 176.95 171.66 1xpn s SER 138 N -3.19 2.63 -0.08 -2.66 1.04 -1.26 -0.45 113.70 109.73 1xpn s SER 138 Ca 0.32 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1xpn s SER 138 Cb 0.01 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 64.92 1xpn s SER 138 CO 0.17 0.04 -0.12 0.00 0.98 0.00 0.00 173.24 174.31 1xpn s ALA 139 N 0.92 2.73 -0.02 5.32 0.00 0.16 -4.87 121.76 126.01 1xpn s ALA 139 Ca -0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 1xpn s ALA 139 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1xpn s ALA 139 CO -0.01 0.47 0.95 -0.65 0.00 0.00 0.00 175.76 176.51 1xpn s GLN 140 N -0.43 4.52 -0.59 0.00 -0.21 -1.26 -0.06 119.66 121.64 1xpn s GLN 140 Ca 0.05 1.35 0.06 0.00 0.02 0.00 0.00 55.36 56.84 1xpn s GLN 140 Cb -0.12 -3.47 0.24 0.00 1.00 0.00 0.00 33.01 30.66 1xpn s GLN 140 CO 0.02 -0.08 0.66 0.43 -2.12 0.00 0.00 175.29 174.21 1xpn n SER 141 N 4.06 2.83 -2.89 5.90 7.64 0.20 -4.92 113.62 126.44 1xpn n SER 141 Ca 0.06 -3.24 -0.09 0.00 1.01 0.00 0.00 58.87 56.61 1xpn n SER 141 Cb 0.51 -0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1xpn n SER 141 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1xpn n ASP 142 N 1.13 -7.77 0.00 6.43 2.03 -1.26 -3.71 116.55 113.40 1xpn n ASP 142 Ca 0.27 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1xpn n ASP 142 Cb 0.43 -5.07 0.00 0.00 -0.72 0.00 0.00 41.12 35.76 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpn n GLY 143 N -0.14 1.63 3.66 0.27 0.00 -1.26 -4.93 105.19 104.41 1xpn n GLY 143 Ca 0.09 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 4.20 -0.64 1.61 -0.14 -1.24 -5.01 119.74 118.51 1xpn s LYS 144 Ca 0.00 0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 55.04 1xpn s LYS 144 Cb 0.00 -3.58 0.15 0.00 -1.68 0.00 0.00 37.83 32.72 1xpn s LYS 144 CO 0.00 -0.24 0.61 0.99 -0.76 0.00 0.00 175.35 175.95 1xpn s THR 145 N 1.93 5.29 0.43 2.17 2.01 -1.26 0.62 115.64 126.83 1xpn s THR 145 Ca 0.28 -1.76 -0.10 0.00 0.31 0.00 0.00 61.69 60.43 1xpn s THR 145 Cb -0.16 -4.40 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 1xpn s THR 145 CO 0.10 -0.95 0.79 0.27 -0.69 0.00 0.00 174.62 174.14 1xpn s ILE 146 N 1.27 4.79 -0.22 1.82 -4.36 0.92 -4.68 121.20 120.75 1xpn s ILE 146 Ca 0.09 0.58 -0.16 0.00 -0.26 0.00 0.00 60.65 60.90 1xpn s ILE 146 Cb -0.23 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.69 1xpn s ILE 146 CO -0.01 -0.60 0.42 -0.89 0.24 0.00 0.00 174.94 174.10 1xpn s THR 147 N -2.47 5.17 0.38 8.37 2.01 -1.26 0.38 115.64 128.23 1xpn s THR 147 Ca 0.51 0.73 0.08 0.00 0.31 0.00 0.00 61.69 63.32 1xpn s THR 147 Cb -0.10 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 1xpn s THR 147 CO 0.34 0.21 0.07 -1.61 -0.69 0.00 0.00 174.62 172.95 1xpn s GLU 148 N 1.55 2.10 0.68 4.92 2.02 0.40 -4.77 118.70 125.61 1xpn s GLU 148 Ca 0.19 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1xpn s GLU 148 Cb -0.15 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1xpn s GLU 148 CO 0.08 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1xpn n GLY 149 N -1.06 -1.77 0.00 -1.39 0.00 -1.26 -1.25 105.19 98.45 1xpn n GLY 149 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.57 3.45 -0.02 0.00 0.10 -1.81 105.19 107.48 1xpn n GLY 150 Ca 0.00 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1xpn n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 151 N -3.89 4.56 -0.24 2.61 -4.23 -0.76 -0.61 115.64 113.09 1xpn s THR 151 Ca 0.00 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 1xpn s THR 151 Cb 0.00 -4.52 -0.03 0.00 1.34 0.00 0.00 72.50 69.29 1xpn s THR 151 CO 0.00 -1.16 0.54 0.54 -0.54 0.00 0.00 174.62 174.00 1xpn s VAL 152 N 3.43 5.06 -0.19 2.29 0.11 -0.47 -2.53 120.40 128.10 1xpn s VAL 152 Ca 0.20 0.96 -0.01 0.00 -2.93 0.00 0.00 61.98 60.21 1xpn s VAL 152 Cb -0.18 -3.86 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1xpn s VAL 152 CO 0.12 0.10 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.96 1xpn s THR 153 N 2.13 2.55 -0.18 5.04 2.01 -1.26 -1.59 115.64 124.34 1xpn s THR 153 Ca 0.23 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1xpn s THR 153 Cb -0.16 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1xpn s THR 153 CO 0.09 0.50 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.89 1xpn s LYS 154 N 1.27 3.36 -0.55 4.92 -0.14 0.10 -4.81 119.74 123.89 1xpn s LYS 154 Ca 0.04 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.73 1xpn s LYS 154 Cb -0.14 -2.83 0.04 0.00 -1.68 0.00 0.00 37.83 33.22 1xpn s LYS 154 CO -0.08 -0.04 1.02 -1.17 -0.76 0.00 0.00 175.35 174.32 1xpn s LEU 155 N 1.02 3.88 -0.25 3.17 2.96 -1.26 -0.41 118.68 127.79 1xpn s LEU 155 Ca -0.00 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1xpn s LEU 155 Cb -0.15 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1xpn s LEU 155 CO -0.01 -1.28 0.08 -0.69 -1.32 0.00 0.00 176.35 173.13 1xpn s VAL 156 N 4.24 4.41 -0.51 1.68 1.01 0.67 -4.95 120.40 126.94 1xpn s VAL 156 Ca 0.35 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1xpn s VAL 156 Cb -0.11 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1xpn s VAL 156 CO 0.22 0.33 0.48 -0.89 0.00 0.00 0.00 175.10 175.24 1xpn s THR 157 N 1.62 5.17 -0.89 3.92 2.01 -1.26 -0.46 115.64 125.76 1xpn s THR 157 Ca 0.06 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.61 1xpn s THR 157 Cb -0.15 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.17 1xpn s THR 157 CO 0.04 -0.76 1.25 -0.69 -0.69 0.00 0.00 174.62 173.77 1xpn s VAL 158 N 1.75 4.18 -0.25 3.82 1.01 0.01 -4.80 120.40 126.11 1xpn s VAL 158 Ca 0.05 -0.72 0.13 0.00 0.00 0.00 0.00 61.98 61.43 1xpn s VAL 158 Cb -0.27 -4.90 0.60 0.00 0.00 0.00 0.00 36.38 31.82 1xpn s VAL 158 CO 0.05 -1.73 1.56 -1.54 0.00 0.00 0.00 175.10 173.44 1xpn n SER 159 N 8.12 3.90 -3.51 3.32 3.41 -1.26 -1.13 113.62 126.48 1xpn n SER 159 Ca 0.19 -3.25 -0.09 0.00 -0.26 0.00 0.00 58.87 55.46 1xpn n SER 159 Cb 0.49 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xpn s GLY 160 N -1.78 -0.45 -0.02 5.00 0.00 -1.26 -5.02 107.32 103.78 1xpn s GLY 160 Ca 0.47 1.12 0.20 0.00 0.00 0.00 0.00 44.72 46.51 1xpn s GLY 160 CO 0.08 0.43 1.50 -1.14 0.00 0.00 0.00 173.10 173.97 1xpn n SER 161 N -0.10 3.68 -4.85 1.64 3.41 -1.26 -4.20 113.62 111.94 1xpn n SER 161 Ca -0.10 -2.08 -0.32 0.00 -0.26 0.00 0.00 58.87 56.12 1xpn n SER 161 Cb 0.61 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1xpn n SER 161 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xpn s GLN 162 N -1.25 3.95 -0.20 4.33 -0.21 -1.26 -4.28 119.66 120.73 1xpn s GLN 162 Ca 0.45 0.84 -0.28 0.00 0.02 0.00 0.00 55.36 56.38 1xpn s GLN 162 Cb 0.24 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 1xpn s GLN 162 CO 0.29 -0.15 2.09 -2.14 -2.12 0.00 0.00 175.29 173.25 1xpn s PRO 163 N -3.83 3.33 -0.25 2.91 0.02 -1.26 -3.83 135.00 132.09 1xpn s PRO 163 Ca 0.57 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 1xpn s PRO 163 Cb -0.10 -4.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.09 1xpn s PRO 163 CO 0.28 -1.87 0.08 -0.65 -0.33 0.00 0.00 177.00 174.50 1xpn s GLN 164 N 5.90 3.68 -0.39 5.54 -0.21 0.55 -4.92 119.66 129.82 1xpn s GLN 164 Ca 0.94 -0.46 -0.27 0.00 0.02 0.00 0.00 55.36 55.59 1xpn s GLN 164 Cb -0.32 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.37 1xpn s GLN 164 CO 0.35 -0.17 0.97 0.21 -2.12 0.00 0.00 175.29 174.54 1xpn s LYS 165 N 1.57 3.81 -0.26 2.91 2.20 -1.25 -0.88 119.74 127.83 1xpn s LYS 165 Ca 0.06 0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 56.19 1xpn s LYS 165 Cb -0.15 -3.83 -0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1xpn s LYS 165 CO 0.04 -1.04 0.04 0.08 -0.36 0.00 0.00 175.35 174.12 1xpn s VAL 166 N 3.66 3.86 -0.34 4.02 1.01 -0.54 -4.97 120.40 127.10 1xpn s VAL 166 Ca 0.40 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1xpn s VAL 166 Cb -0.11 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1xpn s VAL 166 CO 0.21 0.23 0.62 -0.76 0.00 0.00 0.00 175.10 175.40 1xpn s LEU 167 N 1.51 4.22 -1.15 3.92 1.02 -1.26 -1.02 118.68 125.93 1xpn s LEU 167 Ca 0.04 0.23 -0.20 0.00 0.02 0.00 0.00 54.13 54.22 1xpn s LEU 167 Cb -0.16 -2.78 0.07 0.00 0.02 0.00 0.00 46.19 43.34 1xpn s LEU 167 CO 0.01 -0.54 1.57 -0.22 0.02 0.00 0.00 176.35 177.18 1xpn s LEU 168 N 2.65 3.78 0.12 1.79 2.96 0.76 -4.84 118.68 125.90 1xpn s LEU 168 Ca 0.24 -1.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.02 1xpn s LEU 168 Cb -0.15 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1xpn s LEU 168 CO 0.14 -1.31 0.36 0.28 -1.32 0.00 0.00 176.35 174.50 1xpn s THR 169 N 4.40 0.08 -2.00 3.68 -1.32 -1.26 -2.51 115.64 116.71 1xpn s THR 169 Ca 0.49 -0.71 0.21 0.00 -1.21 0.00 0.00 61.69 60.47 1xpn s THR 169 Cb 0.01 -1.22 0.59 0.00 -1.51 0.00 0.00 72.50 70.38 1xpn s THR 169 CO -0.01 -0.38 1.62 -1.14 -2.21 0.00 0.00 174.62 172.50