#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn h SER 2 N 0.00 0.07 -5.51 1.61 4.64 -2.06 -3.48 113.55 108.82 1xpn h SER 2 Ca 0.00 -0.84 -0.26 0.00 -0.47 0.00 0.00 61.79 60.23 1xpn h SER 2 Cb 0.00 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 61.98 1xpn h SER 2 CO 0.00 0.90 -0.22 -0.94 -0.87 0.00 0.00 176.83 175.70 1xpn s SER 3 N -6.16 0.79 -0.13 4.97 1.04 -1.26 -5.03 113.70 107.92 1xpn s SER 3 Ca -0.17 -1.43 0.05 0.00 0.48 0.00 0.00 55.95 54.88 1xpn s SER 3 Cb -0.01 0.63 0.37 0.00 0.10 0.00 0.00 66.02 67.11 1xpn s SER 3 CO 0.71 -1.24 1.16 1.41 0.98 0.00 0.00 173.24 176.26 1xpn n HIS 4 N -0.53 1.08 -2.71 5.02 8.25 -1.26 -4.66 115.22 120.42 1xpn n HIS 4 Ca 0.01 -0.52 -0.43 0.00 -0.26 0.00 0.00 57.72 56.52 1xpn n HIS 4 Cb 0.62 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 1xpn n HIS 4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xpn s HIS 5 N -1.76 2.87 -0.17 4.41 4.02 -1.26 -4.76 115.29 118.65 1xpn s HIS 5 Ca 0.26 -1.35 0.17 0.00 1.02 0.00 0.00 55.06 55.16 1xpn s HIS 5 Cb 0.20 -4.56 0.42 0.00 -1.02 0.00 0.00 32.58 27.62 1xpn s HIS 5 CO 0.07 -1.73 1.30 -2.39 1.02 0.00 0.00 174.74 173.01 1xpn n HIS 6 N 7.76 0.51 -0.06 1.40 1.44 -1.26 -4.17 115.22 120.85 1xpn n HIS 6 Ca 0.35 -0.99 -0.11 0.00 -2.01 0.00 0.00 57.72 54.96 1xpn n HIS 6 Cb 0.48 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 30.30 1xpn n HIS 6 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xpn n HIS 7 N -0.97 0.00 -4.10 -1.40 8.25 -1.26 -5.02 115.22 110.72 1xpn n HIS 7 Ca 0.20 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1xpn n HIS 7 Cb 0.79 -0.40 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 1xpn n HIS 7 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xpn s HIS 8 N -2.20 0.59 -0.17 4.41 0.09 -1.26 -5.09 115.29 111.66 1xpn s HIS 8 Ca -0.15 -0.34 -0.13 0.00 -0.00 0.00 0.00 55.06 54.44 1xpn s HIS 8 Cb 0.06 -0.36 -0.06 0.00 -0.00 0.00 0.00 32.58 32.22 1xpn s HIS 8 CO 0.20 -0.05 -0.20 0.72 -0.00 0.00 0.00 174.74 175.40 1xpn n HIS 9 N 2.05 0.63 -3.57 1.40 -0.00 -1.26 -4.68 115.22 109.79 1xpn n HIS 9 Ca -0.19 0.27 -0.25 0.00 -0.00 0.00 0.00 57.72 57.55 1xpn n HIS 9 Cb 0.56 -0.73 0.05 0.00 -0.00 0.00 0.00 29.99 29.87 1xpn n HIS 9 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1xpn n SER 10 N -4.54 -5.78 -4.57 0.41 7.64 -1.26 -4.85 113.62 100.67 1xpn n SER 10 Ca -0.14 -0.55 -0.32 0.00 1.01 0.00 0.00 58.87 58.88 1xpn n SER 10 Cb 0.41 -4.59 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 1xpn n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1xpn s SER 11 N -3.16 5.57 -0.50 6.43 0.15 -1.26 -4.92 113.70 116.01 1xpn s SER 11 Ca 0.55 -1.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.54 1xpn s SER 11 Cb -0.25 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.49 1xpn s SER 11 CO 0.68 -2.43 1.38 -0.83 1.20 0.00 0.00 173.24 173.24 1xpn s GLY 12 N 6.49 1.01 0.36 9.45 0.00 -1.26 -4.85 107.32 118.53 1xpn s GLY 12 Ca 0.63 -0.46 0.08 0.00 0.00 0.00 0.00 44.72 44.98 1xpn s GLY 12 CO 0.04 2.75 1.86 1.41 0.00 0.00 0.00 173.10 179.15 1xpn h LEU 13 N 12.56 0.25 -8.44 0.66 3.38 -2.03 -3.37 115.31 118.32 1xpn h LEU 13 Ca -0.27 -0.06 -0.71 0.00 0.09 0.00 0.00 57.88 56.94 1xpn h LEU 13 Cb 1.09 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 1xpn h LEU 13 CO 1.14 0.45 -0.21 0.68 0.09 0.00 0.00 178.44 180.59 1xpn s VAL 14 N -4.60 5.10 0.27 1.22 -7.23 -1.26 -4.94 120.40 108.95 1xpn s VAL 14 Ca -0.05 -0.61 0.25 0.00 -1.81 0.00 0.00 61.98 59.76 1xpn s VAL 14 Cb 0.15 -4.11 0.25 0.00 0.56 0.00 0.00 36.38 33.23 1xpn s VAL 14 CO 0.74 -0.54 1.93 -0.65 -0.31 0.00 0.00 175.10 176.28 1xpn h PRO 15 N 8.78 0.00 -3.04 4.82 0.11 -2.01 -3.46 132.00 137.20 1xpn h PRO 15 Ca -0.27 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.90 1xpn h PRO 15 Cb 1.11 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1xpn h PRO 15 CO 0.85 0.19 0.21 -0.98 -0.21 0.00 0.00 178.00 178.06 1xpn s ARG 16 N -3.90 1.75 -0.96 1.05 1.70 -1.26 -5.09 118.95 112.24 1xpn s ARG 16 Ca -0.01 -0.98 -0.21 0.00 -0.47 0.00 0.00 55.73 54.05 1xpn s ARG 16 Cb 0.12 0.60 0.08 0.00 -0.57 0.00 0.00 34.95 35.18 1xpn s ARG 16 CO 0.62 -0.80 1.30 0.20 -1.08 0.00 0.00 175.30 175.54 1xpn s GLY 17 N -2.92 1.51 0.15 3.88 0.00 -1.26 -4.85 107.32 103.83 1xpn s GLY 17 Ca 0.11 -2.42 -0.15 0.00 0.00 0.00 0.00 44.72 42.27 1xpn s GLY 17 CO 0.06 2.40 1.71 1.76 0.00 0.00 0.00 173.10 179.04 1xpn h SER 18 N 9.42 0.60 -3.19 1.64 0.02 -1.99 -3.41 113.55 116.64 1xpn h SER 18 Ca 0.15 -0.14 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 1xpn h SER 18 Cb 1.02 -0.15 -0.38 0.00 0.14 0.00 0.00 62.40 63.02 1xpn h SER 18 CO 1.29 0.58 -0.71 -1.00 -1.14 0.00 0.00 176.83 175.85 1xpn s HIS 19 N -5.65 0.00 0.40 3.45 3.76 -1.26 -5.14 115.29 110.85 1xpn s HIS 19 Ca -0.13 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.82 1xpn s HIS 19 Cb 0.11 -0.44 -0.09 0.00 1.11 0.00 0.00 32.58 33.26 1xpn s HIS 19 CO 0.76 -0.27 1.03 -1.64 -0.85 0.00 0.00 174.74 173.77 1xpn s MET 20 N 2.20 4.19 -0.27 1.40 -1.94 -1.26 -4.48 119.30 119.15 1xpn s MET 20 Ca 0.04 1.46 -0.00 0.00 -1.71 0.00 0.00 55.69 55.49 1xpn s MET 20 Cb -0.13 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1xpn s MET 20 CO -0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 175.02 174.86 1xpn n ALA 21 N -0.08 -3.43 -1.09 3.03 0.00 -1.26 -5.04 120.51 112.64 1xpn n ALA 21 Ca 0.05 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.87 1xpn n ALA 21 Cb 0.50 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.14 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xpn n SER 22 N 0.60 -0.89 -4.63 0.00 3.41 -1.26 -4.90 113.62 105.96 1xpn n SER 22 Ca 0.00 -0.82 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 1xpn n SER 22 Cb 0.00 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1xpn n SER 22 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xpn s ASN 23 N -2.31 6.12 -0.83 4.04 2.47 -1.26 -4.83 114.94 118.34 1xpn s ASN 23 Ca 0.20 1.86 -0.25 0.00 0.42 0.00 0.00 52.86 55.09 1xpn s ASN 23 Cb -0.01 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 37.17 1xpn s ASN 23 CO 0.15 -1.43 2.19 -2.84 -3.72 0.00 0.00 177.10 171.44 1xpn s PRO 24 N 5.13 2.06 -1.20 0.43 0.02 -1.26 -3.90 135.00 136.28 1xpn s PRO 24 Ca 0.83 0.16 -0.12 0.00 0.02 0.00 0.00 61.00 61.88 1xpn s PRO 24 Cb -0.30 -4.90 -0.01 0.00 0.02 0.00 0.00 34.50 29.31 1xpn s PRO 24 CO 0.33 -3.90 0.73 -1.71 -0.33 0.00 0.00 177.00 172.12 1xpn n ASN 25 N 16.36 -3.91 -4.56 2.53 5.15 -1.26 -4.84 115.26 124.74 1xpn n ASN 25 Ca 0.43 -0.94 -0.40 0.00 -0.60 0.00 0.00 54.58 53.06 1xpn n ASN 25 Cb 0.45 -3.66 -0.03 0.00 -0.53 0.00 0.00 39.78 36.01 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xpn s ASP 26 N -3.77 6.39 -0.17 1.20 2.15 -1.25 -4.33 116.67 116.88 1xpn s ASP 26 Ca 0.31 -1.31 -0.03 0.00 0.43 0.00 0.00 52.55 51.95 1xpn s ASP 26 Cb -0.10 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1xpn s ASP 26 CO 0.84 -1.61 0.06 0.18 -0.17 0.00 0.00 175.17 174.47 1xpn n LEU 27 N 9.24 -5.44 -4.77 -1.34 4.77 -1.26 -4.97 117.00 113.22 1xpn n LEU 27 Ca 0.31 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 57.09 1xpn n LEU 27 Cb 0.51 -2.51 -0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1xpn n LEU 27 CO 0.66 -2.31 0.79 -2.16 -1.33 0.00 0.00 177.39 173.04 1xpn s PRO 28 N -0.95 3.48 -1.30 3.23 0.04 -1.26 -4.92 135.00 133.33 1xpn s PRO 28 Ca -0.07 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1xpn s PRO 28 Cb 0.00 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1xpn s PRO 28 CO 0.51 -0.75 1.74 -3.47 0.04 0.00 0.00 177.00 175.08 1xpn n ASP 29 N -1.08 4.88 -4.98 6.66 2.03 -1.26 -4.93 116.55 117.87 1xpn n ASP 29 Ca 0.10 -2.94 -0.20 0.00 0.52 0.00 0.00 54.79 52.27 1xpn n ASP 29 Cb 0.50 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1xpn n ASP 29 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpn s PHE 30 N 2.89 3.15 0.22 -0.67 0.08 -1.26 -5.00 117.98 117.39 1xpn s PHE 30 Ca 0.48 -0.05 0.36 0.00 0.12 0.00 0.00 56.93 57.83 1xpn s PHE 30 Cb 0.04 -2.12 1.71 0.00 -0.57 0.00 0.00 43.02 42.08 1xpn s PHE 30 CO 0.02 -0.15 2.07 -1.35 -0.10 0.00 0.00 175.22 175.71 1xpn h PRO 31 N 0.70 0.00 -0.42 0.24 0.11 -2.06 -3.46 132.00 127.11 1xpn h PRO 31 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1xpn h PRO 31 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1xpn h PRO 31 CO 0.54 0.00 -0.17 -1.91 -0.21 0.00 0.00 178.00 176.26 1xpn n GLU 32 N -2.91 -0.85 0.00 1.05 2.13 -1.26 -4.84 120.64 113.96 1xpn n GLU 32 Ca -0.01 0.76 0.12 0.00 0.66 0.00 0.00 57.16 58.70 1xpn n GLU 32 Cb 0.18 -4.71 0.28 0.00 0.27 0.00 0.00 31.44 27.46 1xpn n GLU 32 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1xpn n HIS 33 N -2.63 0.00 0.30 4.31 -0.00 -1.26 -3.98 115.22 111.96 1xpn n HIS 33 Ca -0.09 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.28 1xpn n HIS 33 Cb 0.35 -0.15 0.84 0.00 -0.12 0.00 0.00 29.99 30.91 1xpn n HIS 33 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1xpn h GLU 34 N 0.79 0.00 0.00 1.57 3.07 -1.99 -1.09 114.58 116.93 1xpn h GLU 34 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1xpn h GLU 34 Cb 0.52 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1xpn h GLU 34 CO 0.00 0.00 -0.10 1.88 -1.40 0.00 0.00 179.01 179.39 1xpn h TYR 35 N 0.00 0.00 -0.15 4.33 -1.99 -1.99 -1.80 116.97 115.37 1xpn h TYR 35 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xpn h TYR 35 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1xpn h TYR 35 CO 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.26 1xpn n ALA 36 N -2.18 2.53 0.39 3.88 0.00 -0.41 -3.74 120.51 120.97 1xpn n ALA 36 Ca -0.01 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.04 1xpn n ALA 36 Cb 0.29 -1.12 0.21 0.00 0.00 0.00 0.00 19.45 18.84 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn n ALA 37 N 0.15 2.60 -1.37 0.00 0.00 -0.67 -3.69 120.51 117.52 1xpn n ALA 37 Ca 0.15 -0.88 0.05 0.00 0.00 0.00 0.00 53.44 52.76 1xpn n ALA 37 Cb 0.28 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.82 1xpn n ALA 37 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1xpn n THR 38 N 0.78 0.97 -0.87 0.00 5.66 -1.25 -4.81 114.28 114.76 1xpn n THR 38 Ca 0.16 -1.15 -0.04 0.00 -3.05 0.00 0.00 64.05 59.96 1xpn n THR 38 Cb 0.47 0.17 0.30 0.00 -1.55 0.00 0.00 70.33 69.73 1xpn n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xpn n GLN 39 N -0.72 3.70 0.00 1.09 10.64 -1.24 -4.79 117.38 126.06 1xpn n GLN 39 Ca 0.08 -2.87 0.00 0.00 -1.83 0.00 0.00 57.00 52.38 1xpn n GLN 39 Cb 0.63 -2.17 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 1xpn n GLN 39 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1xpn n GLN 40 N -0.02 0.00 -4.16 2.61 6.02 -1.26 -5.10 117.38 115.46 1xpn n GLN 40 Ca 0.37 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1xpn n GLN 40 Cb 1.30 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 32.44 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpn s VAL 41 N 1.26 0.96 0.04 5.09 1.01 -1.26 -5.07 120.40 122.42 1xpn s VAL 41 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 1xpn s VAL 41 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1xpn s VAL 41 CO 0.00 -0.23 -0.03 -0.83 0.00 0.00 0.00 175.10 174.01 1xpn s GLY 42 N -1.60 0.37 0.00 4.51 0.00 -1.26 -4.30 107.32 105.05 1xpn s GLY 42 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1xpn s GLY 42 CO 0.02 -1.03 0.59 0.61 0.00 0.00 0.00 173.10 173.28 1xpn n GLY 43 N 0.76 -0.07 3.59 0.20 0.00 -0.55 -4.10 105.19 105.03 1xpn n GLY 43 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.34 1.16 -0.60 -0.02 0.00 0.59 -4.46 107.32 103.65 1xpn s GLY 44 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.05 1xpn s GLY 44 CO 0.00 2.58 0.94 0.14 0.00 0.00 0.00 173.10 176.76 1xpn s VAL 45 N 5.01 4.38 -0.23 1.40 1.01 -1.23 -3.50 120.40 127.24 1xpn s VAL 45 Ca 0.52 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 1xpn s VAL 45 Cb -0.10 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1xpn s VAL 45 CO 0.31 -1.26 0.46 -0.63 0.00 0.00 0.00 175.10 173.97 1xpn s ILE 46 N 3.96 5.13 -0.50 2.22 1.01 0.13 -0.32 121.20 132.83 1xpn s ILE 46 Ca 0.26 0.80 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 1xpn s ILE 46 Cb -0.15 -3.78 0.13 0.00 0.01 0.00 0.00 42.46 38.67 1xpn s ILE 46 CO 0.15 0.17 0.40 0.20 0.00 0.00 0.00 174.94 175.86 1xpn s ASN 47 N 1.30 5.86 -0.21 3.58 0.01 0.11 -0.72 114.94 124.87 1xpn s ASN 47 Ca 0.20 -1.91 -0.09 0.00 -0.71 0.00 0.00 52.86 50.35 1xpn s ASN 47 Cb -0.15 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1xpn s ASN 47 CO 0.09 -0.74 0.12 -0.83 -1.51 0.00 0.00 177.10 174.23 1xpn s GLY 48 N 2.91 1.98 -0.26 0.66 0.00 -0.24 -0.40 107.32 111.96 1xpn s GLY 48 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1xpn s GLY 48 CO 0.00 0.23 -0.08 -0.35 0.00 0.00 0.00 173.10 172.90 1xpn s ASP 49 N 0.66 4.38 -0.19 1.64 -1.08 -0.52 -1.25 116.67 120.31 1xpn s ASP 49 Ca 0.07 -1.16 -0.14 0.00 -0.52 0.00 0.00 52.55 50.80 1xpn s ASP 49 Cb -0.12 -1.61 -0.04 0.00 -1.46 0.00 0.00 42.92 39.68 1xpn s ASP 49 CO 0.01 -0.17 0.32 -0.22 0.52 0.00 0.00 175.17 175.62 1xpn s LEU 50 N 1.21 4.18 -0.30 -1.34 2.96 0.13 0.15 118.68 125.68 1xpn s LEU 50 Ca -0.04 0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.17 1xpn s LEU 50 Cb -0.18 -2.39 0.15 0.00 0.50 0.00 0.00 46.19 44.27 1xpn s LEU 50 CO -0.05 0.01 0.89 -0.72 -1.32 0.00 0.00 176.35 175.17 1xpn s TYR 51 N 0.95 -0.85 -0.13 5.38 1.13 -1.04 -4.61 117.35 118.19 1xpn s TYR 51 Ca 0.16 1.50 -0.05 0.00 -1.41 0.00 0.00 57.07 57.27 1xpn s TYR 51 Cb -0.14 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1xpn s TYR 51 CO 0.06 -0.42 0.06 -0.51 -2.51 0.00 0.00 175.55 172.22 1xpn s LEU 52 N 2.41 3.86 -0.45 -3.49 1.43 0.67 -4.56 118.68 118.55 1xpn s LEU 52 Ca -0.04 0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1xpn s LEU 52 Cb -0.07 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1xpn s LEU 52 CO -0.18 0.31 1.07 0.42 0.23 0.00 0.00 176.35 178.21 1xpn s THR 53 N -0.48 4.32 0.86 5.49 -4.23 -1.26 -0.16 115.64 120.17 1xpn s THR 53 Ca 0.10 1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 61.67 1xpn s THR 53 Cb -0.12 -4.53 0.11 0.00 1.34 0.00 0.00 72.50 69.29 1xpn s THR 53 CO 0.02 -0.89 1.09 -0.94 -0.54 0.00 0.00 174.62 173.37 1xpn s SER 54 N 2.30 3.88 0.55 3.99 1.04 -1.26 -4.88 113.70 119.31 1xpn s SER 54 Ca 0.45 1.42 0.23 0.00 0.48 0.00 0.00 55.95 58.53 1xpn s SER 54 Cb -0.09 -2.12 1.54 0.00 0.10 0.00 0.00 66.02 65.46 1xpn s SER 54 CO 0.28 -2.37 2.20 0.00 0.98 0.00 0.00 173.24 174.32 1xpn h ALA 55 N -1.37 1.73 0.00 5.32 0.00 -2.03 0.16 119.26 123.07 1xpn h ALA 55 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpn h ALA 55 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xpn h ALA 55 CO 0.56 0.01 -0.06 0.43 0.00 0.00 0.00 179.25 180.19 1xpn n SER 56 N -4.16 0.13 -0.77 0.00 7.64 -1.26 -4.92 113.62 110.28 1xpn n SER 56 Ca -0.03 0.42 -0.08 0.00 1.01 0.00 0.00 58.87 60.19 1xpn n SER 56 Cb 0.10 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.48 0.37 0.10 0.23 0.00 0.57 -4.91 105.19 103.03 1xpn n GLY 57 Ca 0.07 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn h ALA 58 N 0.24 0.69 -3.72 4.61 0.00 -1.92 -3.47 119.26 115.69 1xpn h ALA 58 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xpn h ALA 58 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xpn h ALA 58 CO 0.22 0.00 -0.65 -0.89 0.00 0.00 0.00 179.25 177.93 1xpn n ILE 59 N -2.35 -9.64 -3.72 0.00 5.41 -1.26 -4.98 119.36 102.81 1xpn n ILE 59 Ca 0.03 2.14 -0.37 0.00 1.00 0.00 0.00 62.75 65.55 1xpn n ILE 59 Cb 0.47 -4.98 -0.12 0.00 -0.71 0.00 0.00 39.64 34.30 1xpn n ILE 59 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1xpn s GLN 60 N -1.14 3.38 0.00 0.38 -1.52 0.77 -4.94 119.66 116.60 1xpn s GLN 60 Ca 0.00 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 1xpn s GLN 60 Cb 0.00 -3.42 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 1xpn s GLN 60 CO 0.00 -0.34 0.45 1.63 -0.25 0.00 0.00 175.29 176.79 1xpn n LYS 61 N 4.93 0.00 0.00 2.91 4.76 -1.26 -0.24 118.16 129.26 1xpn n LYS 61 Ca -0.15 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1xpn n LYS 61 Cb 0.50 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 0.63 2.16 3.55 0.72 0.00 -1.26 -3.96 105.19 107.02 1xpn n GLY 62 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1xpn n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 63 N 0.00 4.94 -0.85 2.61 2.01 -1.26 -4.04 115.64 119.05 1xpn s THR 63 Ca 0.00 0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 1xpn s THR 63 Cb 0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1xpn s THR 63 CO 0.00 -0.34 0.72 0.59 -0.69 0.00 0.00 174.62 174.90 1xpn n ASN 64 N 5.93 -6.73 -4.63 3.53 5.03 -1.17 -5.01 115.26 112.21 1xpn n ASN 64 Ca -0.03 -0.46 -0.31 0.00 0.87 0.00 0.00 54.58 54.65 1xpn n ASN 64 Cb 0.48 -4.31 -0.09 0.00 -1.02 0.00 0.00 39.78 34.84 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xpn s THR 65 N -3.11 3.72 -0.20 3.41 2.01 -1.26 -4.80 115.64 115.41 1xpn s THR 65 Ca 0.12 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1xpn s THR 65 Cb -0.03 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 1xpn s THR 65 CO 0.79 0.23 1.13 -0.75 -0.69 0.00 0.00 174.62 175.33 1xpn s LYS 66 N -1.93 4.26 -0.27 4.92 2.47 -1.26 -1.95 119.74 125.98 1xpn s LYS 66 Ca 0.21 1.48 -0.01 0.00 -1.56 0.00 0.00 55.97 56.09 1xpn s LYS 66 Cb -0.11 -3.68 0.04 0.00 -1.46 0.00 0.00 37.83 32.61 1xpn s LYS 66 CO 0.13 -0.65 -0.04 0.08 0.16 0.00 0.00 175.35 175.03 1xpn s VAL 67 N 3.26 2.84 -0.31 4.02 1.01 -0.26 -3.71 120.40 127.25 1xpn s VAL 67 Ca 0.48 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1xpn s VAL 67 Cb -0.18 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1xpn s VAL 67 CO 0.10 0.04 0.16 0.00 0.00 0.00 0.00 175.10 175.40 1xpn s ALA 68 N 1.27 3.31 -0.32 5.51 0.00 0.94 0.26 121.76 132.73 1xpn s ALA 68 Ca -0.03 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 1xpn s ALA 68 Cb -0.18 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1xpn s ALA 68 CO -0.03 -0.90 0.10 -1.17 0.00 0.00 0.00 175.76 173.75 1xpn s LEU 69 N 1.63 4.11 0.15 0.00 0.20 0.65 0.22 118.68 125.64 1xpn s LEU 69 Ca 0.05 -0.93 0.07 0.00 0.69 0.00 0.00 54.13 54.01 1xpn s LEU 69 Cb -0.17 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1xpn s LEU 69 CO 0.07 -0.27 -0.15 -1.83 -0.29 0.00 0.00 176.35 173.88 1xpn s GLU 70 N 1.45 1.16 0.23 1.98 -1.05 -0.24 -0.14 118.70 122.10 1xpn s GLU 70 Ca 0.01 -1.36 -0.31 0.00 -0.15 0.00 0.00 54.97 53.16 1xpn s GLU 70 Cb -0.18 -1.08 -0.11 0.00 -0.44 0.00 0.00 34.13 32.32 1xpn s GLU 70 CO 0.03 0.21 1.55 -2.14 0.95 0.00 0.00 175.26 175.85 1xpn s PRO 71 N -2.90 4.20 -0.10 -4.83 0.02 -1.26 0.23 135.00 130.36 1xpn s PRO 71 Ca 0.14 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.36 1xpn s PRO 71 Cb -0.04 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 1xpn s PRO 71 CO 0.05 -0.56 0.69 0.00 -0.33 0.00 0.00 177.00 176.84 1xpn s ALA 72 N 0.42 3.39 0.07 -1.55 0.00 -0.42 -4.72 121.76 118.95 1xpn s ALA 72 Ca 0.65 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1xpn s ALA 72 Cb -0.45 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1xpn s ALA 72 CO 0.40 -0.21 0.23 -0.08 0.00 0.00 0.00 175.76 176.10 1xpn s THR 73 N 1.08 0.11 0.51 0.00 -1.32 -1.26 -4.81 115.64 109.95 1xpn s THR 73 Ca 0.35 -0.94 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 1xpn s THR 73 Cb -0.17 -1.11 0.30 0.00 -1.51 0.00 0.00 72.50 70.01 1xpn s THR 73 CO 0.16 -0.52 2.15 0.28 -2.21 0.00 0.00 174.62 174.48 1xpn h SER 74 N 3.02 0.00 -0.49 8.08 0.02 -2.01 -0.86 113.55 121.32 1xpn h SER 74 Ca -0.33 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1xpn h SER 74 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1xpn h SER 74 CO 0.51 0.06 0.33 0.22 -1.14 0.00 0.00 176.83 176.81 1xpn h TYR 75 N 0.00 0.36 -0.41 3.45 3.20 -1.95 -2.21 116.97 119.41 1xpn h TYR 75 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xpn h TYR 75 Cb 0.14 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1xpn h TYR 75 CO 0.00 0.18 0.00 -1.33 -1.64 0.00 0.00 178.16 175.37 1xpn n MET 76 N -4.47 3.27 -0.20 1.82 2.81 -0.34 -4.42 117.12 115.60 1xpn n MET 76 Ca 0.07 -2.66 -0.05 0.00 -1.81 0.00 0.00 57.70 53.25 1xpn n MET 76 Cb 0.31 -1.73 0.05 0.00 -0.71 0.00 0.00 33.22 31.13 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 2.62 0.69 -0.37 0.03 3.64 -1.29 0.22 116.57 122.12 1xpn h LYS 77 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1xpn h LYS 77 Cb 1.29 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1xpn h LYS 77 CO 0.18 0.46 -0.08 0.00 -2.27 0.00 0.00 179.45 177.74 1xpn h ALA 78 N 1.24 1.17 -0.15 5.00 0.00 -1.80 -0.31 119.26 124.42 1xpn h ALA 78 Ca 0.23 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1xpn h ALA 78 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xpn h ALA 78 CO -0.09 0.53 -0.35 -0.92 0.00 0.00 0.00 179.25 178.42 1xpn h TYR 79 N 0.58 0.36 0.03 0.00 3.20 -1.60 0.98 116.97 120.52 1xpn h TYR 79 Ca 0.11 -0.09 -0.22 0.00 3.14 0.00 0.00 58.73 61.67 1xpn h TYR 79 Cb 0.49 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1xpn h TYR 79 CO 0.02 0.63 -0.99 -0.92 -1.64 0.00 0.00 178.16 175.26 1xpn h TYR 80 N 0.27 0.38 -0.07 -3.82 3.20 -0.57 -0.28 116.97 116.08 1xpn h TYR 80 Ca 0.03 -0.23 -0.15 0.00 3.14 0.00 0.00 58.73 61.53 1xpn h TYR 80 Cb 0.75 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.99 1xpn h TYR 80 CO 0.02 1.09 -0.53 0.00 -1.64 0.00 0.00 178.16 177.10 1xpn h ALA 81 N 0.83 0.16 0.04 1.82 0.00 -0.71 -3.06 119.26 118.34 1xpn h ALA 81 Ca -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xpn h ALA 81 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1xpn h ALA 81 CO 0.16 0.37 -0.02 0.87 0.00 0.00 0.00 179.25 180.62 1xpn h LYS 82 N 0.05 -0.05 0.00 0.00 1.57 -0.91 -3.45 116.57 113.77 1xpn h LYS 82 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xpn h LYS 82 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xpn h LYS 82 CO 0.11 0.51 0.00 1.19 -0.57 0.00 0.00 179.45 180.68 1xpn n PHE 83 N -4.74 0.00 0.00 -1.35 3.01 -0.38 -4.96 117.46 109.04 1xpn n PHE 83 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1xpn n PHE 83 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 2.78 3.40 3.56 1.37 0.00 -0.26 -3.06 105.19 112.97 1xpn n GLY 84 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 6.84 -0.31 1.61 3.84 -1.26 -4.44 114.94 117.22 1xpn s ASN 85 Ca 0.00 -2.42 -0.11 0.00 0.21 0.00 0.00 52.86 50.54 1xpn s ASN 85 Cb 0.00 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 1xpn s ASN 85 CO 0.00 -1.14 0.18 -0.22 -2.79 0.00 0.00 177.10 173.13 1xpn s LEU 86 N 3.86 4.14 0.90 3.21 0.20 -0.18 -4.87 118.68 125.94 1xpn s LEU 86 Ca 0.51 -0.35 -0.13 0.00 0.69 0.00 0.00 54.13 54.85 1xpn s LEU 86 Cb 0.02 -2.06 0.13 0.00 -0.43 0.00 0.00 46.19 43.86 1xpn s LEU 86 CO 0.05 -0.16 1.16 -0.62 -0.29 0.00 0.00 176.35 176.48 1xpn s ASP 87 N 1.68 3.64 0.48 3.68 -1.08 -1.26 -1.41 116.67 122.40 1xpn s ASP 87 Ca 0.06 0.87 0.31 0.00 -0.52 0.00 0.00 52.55 53.26 1xpn s ASP 87 Cb -0.17 -1.38 1.21 0.00 -1.46 0.00 0.00 42.92 41.13 1xpn s ASP 87 CO 0.08 -2.46 1.90 0.00 0.52 0.00 0.00 175.17 175.22 1xpn h ALA 88 N -1.44 1.00 -0.81 3.66 0.00 -1.87 -3.03 119.26 116.77 1xpn h ALA 88 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1xpn h ALA 88 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1xpn h ALA 88 CO 0.61 0.00 0.42 0.00 0.00 0.00 0.00 179.25 180.27 1xpn h ALA 89 N 2.07 1.20 -0.84 0.00 0.00 -1.92 -2.97 119.26 116.80 1xpn h ALA 89 Ca 0.00 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 54.18 1xpn h ALA 89 Cb 0.52 -0.33 -0.35 0.00 0.00 0.00 0.00 17.79 17.63 1xpn h ALA 89 CO 0.00 0.63 -0.06 0.36 0.00 0.00 0.00 179.25 180.17 1xpn n LYS 90 N -4.33 3.13 -2.25 0.00 2.85 -1.15 -4.98 118.16 111.44 1xpn n LYS 90 Ca 0.08 -3.75 -0.43 0.00 -1.05 0.00 0.00 58.31 53.17 1xpn n LYS 90 Cb 0.12 -2.26 -0.02 0.00 -0.65 0.00 0.00 35.03 32.22 1xpn n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1xpn s ARG 91 N -3.68 3.73 -0.36 -1.58 1.81 -1.13 -4.90 118.95 112.84 1xpn s ARG 91 Ca 0.57 1.33 -0.14 0.00 -1.72 0.00 0.00 55.73 55.77 1xpn s ARG 91 Cb 0.45 -4.00 -0.01 0.00 -0.45 0.00 0.00 34.95 30.94 1xpn s ARG 91 CO 0.02 -1.37 0.28 0.34 -0.68 0.00 0.00 175.30 173.89 1xpn s ASP 92 N 3.92 6.09 0.00 0.23 -1.08 -1.26 -4.94 116.67 119.63 1xpn s ASP 92 Ca 0.65 -0.54 0.29 0.00 -0.52 0.00 0.00 52.55 52.43 1xpn s ASP 92 Cb -0.19 -2.15 1.20 0.00 -1.46 0.00 0.00 42.92 40.31 1xpn s ASP 92 CO 0.29 -0.32 1.84 -0.81 0.52 0.00 0.00 175.17 176.68 1xpn n PRO 93 N 5.17 1.03 -0.12 4.34 -0.04 -1.26 -4.10 135.00 140.02 1xpn n PRO 93 Ca -0.12 -0.44 -0.24 0.00 -0.04 0.00 0.00 63.50 62.67 1xpn n PRO 93 Cb 0.49 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.60 1.81 -4.53 3.54 2.03 -1.26 -4.74 116.55 112.80 1xpn n ASP 94 Ca 0.17 0.21 -0.42 0.00 0.52 0.00 0.00 54.79 55.26 1xpn n ASP 94 Cb 0.28 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xpn s VAL 95 N -2.44 4.26 0.47 5.18 1.01 -1.26 -4.99 120.40 122.63 1xpn s VAL 95 Ca -0.33 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 60.09 1xpn s VAL 95 Cb 0.12 -5.01 -0.10 0.00 0.00 0.00 0.00 36.38 31.40 1xpn s VAL 95 CO 0.44 -1.82 0.97 -1.10 0.00 0.00 0.00 175.10 173.59 1xpn s GLN 96 N 3.95 4.07 -0.11 2.72 -0.21 -1.26 -4.84 119.66 123.98 1xpn s GLN 96 Ca 0.44 1.10 -0.35 0.00 0.02 0.00 0.00 55.36 56.57 1xpn s GLN 96 Cb -0.01 -2.15 -0.13 0.00 1.00 0.00 0.00 33.01 31.72 1xpn s GLN 96 CO -0.05 -0.17 1.83 -2.30 -2.12 0.00 0.00 175.29 172.48 1xpn n PRO 97 N -0.99 1.97 -0.91 2.91 -0.02 -1.26 -4.94 135.00 131.75 1xpn n PRO 97 Ca 0.07 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 1xpn n PRO 97 Cb 0.54 -2.53 0.18 0.00 -0.02 0.00 0.00 33.50 31.67 1xpn n PRO 97 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xpn s PRO 98 N 3.72 0.44 -0.39 0.52 0.04 -1.26 -4.89 135.00 133.18 1xpn s PRO 98 Ca 0.93 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1xpn s PRO 98 Cb -0.77 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1xpn s PRO 98 CO 0.53 -2.83 1.98 0.08 0.04 0.00 0.00 177.00 176.80 1xpn s VAL 99 N -2.75 3.30 0.18 -0.36 1.01 -1.26 -4.95 120.40 115.57 1xpn s VAL 99 Ca 0.66 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1xpn s VAL 99 Cb -0.21 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1xpn s VAL 99 CO 0.60 -0.38 0.25 0.18 0.00 0.00 0.00 175.10 175.75 1xpn n LEU 100 N 11.86 0.00 -4.64 3.92 4.77 -1.26 -5.04 117.00 126.61 1xpn n LEU 100 Ca 0.26 -0.74 -0.47 0.00 -0.03 0.00 0.00 56.01 55.03 1xpn n LEU 100 Cb 0.49 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1xpn n LEU 100 CO 0.69 -0.58 0.95 -0.67 -1.33 0.00 0.00 177.39 176.45 1xpn n ASP 101 N -2.83 2.34 0.22 -1.43 2.03 -1.26 -4.90 116.55 110.71 1xpn n ASP 101 Ca 0.05 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.62 1xpn n ASP 101 Cb 0.18 -1.35 0.30 0.00 -0.72 0.00 0.00 41.12 39.53 1xpn n ASP 101 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xpn h PRO 102 N 4.26 0.00 0.00 -0.67 0.13 -1.97 -3.19 132.00 130.55 1xpn h PRO 102 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xpn h PRO 102 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1xpn h PRO 102 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 1xpn h ARG 103 N 0.00 0.00 -0.33 0.86 3.08 -1.97 -2.60 114.38 113.43 1xpn h ARG 103 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1xpn h ARG 103 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1xpn h ARG 103 CO 0.00 0.00 0.25 0.00 -1.07 0.00 0.00 179.97 179.15 1xpn h ARG 104 N 0.00 0.00 0.00 0.04 3.08 -1.95 0.11 114.38 115.67 1xpn h ARG 104 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xpn h ARG 104 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1xpn h ARG 104 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1xpn n ALA 105 N -2.56 1.48 -0.03 0.04 0.00 -0.98 -0.65 120.51 117.81 1xpn n ALA 105 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1xpn n ALA 105 Cb 0.42 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1xpn n ALA 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xpn n THR 106 N -1.41 0.35 0.61 0.00 -1.04 0.29 -4.78 114.28 108.30 1xpn n THR 106 Ca 0.03 -0.15 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 1xpn n THR 106 Cb 0.09 -0.75 0.01 0.00 -1.82 0.00 0.00 70.33 67.86 1xpn n THR 106 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1xpn n TYR 107 N -2.57 0.21 -2.69 -1.42 4.01 -0.53 -4.76 117.16 109.41 1xpn n TYR 107 Ca -0.10 0.06 -0.43 0.00 -0.16 0.00 0.00 57.90 57.27 1xpn n TYR 107 Cb 0.63 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -3.18 4.25 -0.41 -0.72 1.01 0.18 -4.56 120.40 116.97 1xpn s VAL 108 Ca 0.04 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1xpn s VAL 108 Cb 0.15 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1xpn s VAL 108 CO 0.81 -1.07 0.86 -0.13 0.00 0.00 0.00 175.10 175.56 1xpn s ARG 109 N 4.33 3.64 -0.31 2.72 0.52 0.80 -4.87 118.95 125.78 1xpn s ARG 109 Ca 0.41 0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 55.76 1xpn s ARG 109 Cb -0.09 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 1xpn s ARG 109 CO 0.27 -1.03 0.20 -1.21 0.02 0.00 0.00 175.30 173.55 1xpn s GLU 110 N 3.41 3.55 0.49 3.54 2.02 -1.26 -0.25 118.70 130.20 1xpn s GLU 110 Ca 0.34 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 54.80 1xpn s GLU 110 Cb -0.12 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1xpn s GLU 110 CO 0.21 -0.37 0.32 0.00 0.02 0.00 0.00 175.26 175.45 1xpn s ALA 111 N 1.69 4.15 -0.06 5.21 0.00 0.14 -4.94 121.76 127.96 1xpn s ALA 111 Ca 0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1xpn s ALA 111 Cb -0.17 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1xpn s ALA 111 CO 0.09 -0.32 0.11 0.99 0.00 0.00 0.00 175.76 176.64 1xpn s THR 112 N -2.68 -0.09 0.34 0.00 2.01 -1.26 -1.10 115.64 112.86 1xpn s THR 112 Ca 0.36 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1xpn s THR 112 Cb -0.01 -0.21 -0.11 0.00 0.01 0.00 0.00 72.50 72.18 1xpn s THR 112 CO 0.22 0.10 1.53 0.35 -0.69 0.00 0.00 174.62 176.12 1xpn n THR 113 N 4.49 1.59 0.24 -0.82 -2.24 -0.82 -4.84 114.28 111.88 1xpn n THR 113 Ca -0.21 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 1xpn n THR 113 Cb 0.51 -1.95 -0.08 0.00 -2.10 0.00 0.00 70.33 66.70 1xpn n THR 113 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xpn h ASP 114 N 3.70 -1.15 0.00 3.42 2.03 -1.57 -3.10 116.42 119.75 1xpn h ASP 114 Ca -0.49 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1xpn h ASP 114 Cb 1.24 0.38 0.00 0.00 -0.83 0.00 0.00 39.33 40.11 1xpn h ASP 114 CO 0.70 -0.55 0.00 1.67 -1.03 0.00 0.00 179.24 180.03 1xpn n GLN 115 N -4.95 0.00 -0.27 4.15 7.27 -1.26 -4.55 117.38 117.78 1xpn n GLN 115 Ca -0.10 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.04 1xpn n GLN 115 Cb 0.38 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.24 1xpn n GLN 115 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1xpn n ASN 116 N 0.00 2.64 0.00 1.69 3.02 -1.26 -4.59 115.26 116.76 1xpn n ASN 116 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1xpn n ASN 116 Cb 0.00 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.15 0.53 3.64 7.41 0.00 -1.26 -4.85 105.19 111.81 1xpn n GLY 117 Ca 0.16 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.88 2.52 -0.07 1.61 3.52 -1.26 0.21 118.95 122.61 1xpn s ARG 118 Ca 0.00 -0.79 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1xpn s ARG 118 Cb 0.00 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1xpn s ARG 118 CO 0.00 0.57 0.15 -0.59 -0.81 0.00 0.00 175.30 174.62 1xpn s PHE 119 N -1.16 -0.16 -0.15 5.12 -0.71 -0.38 -1.41 117.98 119.13 1xpn s PHE 119 Ca 0.21 0.48 -0.02 0.00 -1.04 0.00 0.00 56.93 56.56 1xpn s PHE 119 Cb -0.11 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 1xpn s PHE 119 CO 0.13 -0.16 -0.08 -0.51 -1.34 0.00 0.00 175.22 173.25 1xpn s ASP 120 N 1.11 4.38 0.00 1.98 1.01 -1.26 -1.08 116.67 122.81 1xpn s ASP 120 Ca -0.09 -0.25 0.06 0.00 0.71 0.00 0.00 52.55 52.98 1xpn s ASP 120 Cb -0.11 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 1xpn s ASP 120 CO -0.06 0.14 -0.17 -0.36 0.21 0.00 0.00 175.17 174.93 1xpn s PHE 121 N 0.49 2.59 0.06 4.23 0.08 0.10 -4.99 117.98 120.55 1xpn s PHE 121 Ca -0.06 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 1xpn s PHE 121 Cb -0.15 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1xpn s PHE 121 CO 0.03 0.20 0.10 0.34 -0.10 0.00 0.00 175.22 175.79 1xpn s ASP 122 N -1.09 0.23 -1.13 1.36 2.15 -1.26 -0.70 116.67 116.23 1xpn s ASP 122 Ca 0.13 -0.68 -0.03 0.00 0.43 0.00 0.00 52.55 52.41 1xpn s ASP 122 Cb -0.10 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1xpn s ASP 122 CO 0.03 -0.61 0.36 1.41 -0.17 0.00 0.00 175.17 176.19 1xpn n HIS 123 N 0.32 -1.27 -3.43 -5.34 8.25 -1.26 -4.94 115.22 107.55 1xpn n HIS 123 Ca -0.16 0.31 -0.38 0.00 -0.26 0.00 0.00 57.72 57.23 1xpn n HIS 123 Cb 0.60 -3.42 -0.07 0.00 1.12 0.00 0.00 29.99 28.22 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 -2.95 5.23 0.86 1.59 1.01 -1.23 -4.04 121.20 121.68 1xpn s ILE 124 Ca 0.18 0.66 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1xpn s ILE 124 Cb -0.08 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.81 1xpn s ILE 124 CO 0.22 0.30 1.14 -2.84 0.00 0.00 0.00 174.94 173.75 1xpn s PRO 125 N 1.04 1.44 0.22 2.79 0.02 -1.26 -0.30 135.00 138.94 1xpn s PRO 125 Ca 0.18 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 1xpn s PRO 125 Cb -0.14 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1xpn s PRO 125 CO 0.07 -2.31 1.06 0.54 -0.33 0.00 0.00 177.00 176.03 1xpn s ASN 126 N -2.82 7.35 0.00 2.53 2.20 -1.26 -4.81 114.94 118.13 1xpn s ASN 126 Ca 0.66 2.10 0.00 0.00 -0.94 0.00 0.00 52.86 54.68 1xpn s ASN 126 Cb -0.22 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.42 1xpn s ASN 126 CO 0.56 -0.11 0.00 0.61 -2.94 0.00 0.00 177.10 175.22 1xpn n GLY 127 N 1.68 -0.29 2.92 0.45 0.00 0.14 -5.00 105.19 105.08 1xpn n GLY 127 Ca 0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xpn s THR 128 N -4.00 0.36 0.20 2.61 -1.32 -1.26 -0.47 115.64 111.76 1xpn s THR 128 Ca 0.00 -0.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.37 1xpn s THR 128 Cb 0.00 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.59 1xpn s THR 128 CO 0.00 0.13 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.22 1xpn s TYR 129 N 0.27 1.38 -0.19 9.09 2.02 0.97 -1.30 117.35 129.58 1xpn s TYR 129 Ca -0.03 -0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 55.68 1xpn s TYR 129 Cb -0.06 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1xpn s TYR 129 CO -0.00 -0.11 -0.03 0.71 -1.57 0.00 0.00 175.55 174.55 1xpn s TYR 130 N -3.52 2.99 -0.47 2.71 2.02 0.14 -1.24 117.35 119.98 1xpn s TYR 130 Ca 0.26 -0.59 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1xpn s TYR 130 Cb 0.06 -2.05 0.08 0.00 -0.40 0.00 0.00 41.96 39.64 1xpn s TYR 130 CO 0.06 -0.30 0.38 0.42 -1.57 0.00 0.00 175.55 174.54 1xpn s ILE 131 N 1.00 5.07 -0.19 2.71 1.01 0.39 -1.08 121.20 130.11 1xpn s ILE 131 Ca 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 1xpn s ILE 131 Cb -0.15 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1xpn s ILE 131 CO 0.01 -0.59 -0.04 -0.55 0.00 0.00 0.00 174.94 173.77 1xpn s SER 132 N 2.61 4.58 -0.02 3.58 0.15 0.13 0.23 113.70 124.96 1xpn s SER 132 Ca 0.04 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1xpn s SER 132 Cb -0.25 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.32 1xpn s SER 132 CO 0.06 0.08 -0.01 -0.44 1.20 0.00 0.00 173.24 174.12 1xpn s SER 133 N 0.92 0.41 -0.46 5.45 0.01 0.53 -0.04 113.70 120.52 1xpn s SER 133 Ca -0.00 -0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.05 1xpn s SER 133 Cb -0.15 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.95 1xpn s SER 133 CO 0.01 -0.06 0.49 -0.70 0.41 0.00 0.00 173.24 173.40 1xpn s GLU 134 N 0.71 3.07 -0.49 12.44 2.12 -1.24 -0.48 118.70 134.83 1xpn s GLU 134 Ca -0.07 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.32 1xpn s GLU 134 Cb -0.10 -4.06 0.13 0.00 0.26 0.00 0.00 34.13 30.36 1xpn s GLU 134 CO -0.01 -1.03 0.25 -1.17 -0.54 0.00 0.00 175.26 172.76 1xpn s LEU 135 N 2.19 4.71 -0.30 2.70 2.96 -0.07 -4.65 118.68 126.21 1xpn s LEU 135 Ca 0.11 -2.70 -0.06 0.00 -0.22 0.00 0.00 54.13 51.26 1xpn s LEU 135 Cb -0.20 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1xpn s LEU 135 CO 0.11 -0.32 0.06 0.42 -1.32 0.00 0.00 176.35 175.30 1xpn s THR 136 N 0.15 3.69 0.26 3.68 -4.23 -1.26 -1.56 115.64 116.37 1xpn s THR 136 Ca 0.15 -0.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.83 1xpn s THR 136 Cb -0.23 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 1xpn s THR 136 CO -0.03 -0.00 -0.08 -1.66 -0.54 0.00 0.00 174.62 172.31 1xpn s TRP 137 N 1.43 2.55 -0.19 3.99 -2.14 -0.88 -4.93 118.94 118.76 1xpn s TRP 137 Ca 0.00 -0.26 -0.09 0.00 2.66 0.00 0.00 56.10 58.41 1xpn s TRP 137 Cb -0.18 -1.14 -0.05 0.00 -3.10 0.00 0.00 33.47 29.01 1xpn s TRP 137 CO 0.01 0.64 0.10 -1.54 -2.66 0.00 0.00 176.95 173.50 1xpn s SER 138 N -3.49 5.95 -0.12 -2.66 1.04 -1.26 -0.24 113.70 112.92 1xpn s SER 138 Ca 0.30 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1xpn s SER 138 Cb -0.06 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 64.04 1xpn s SER 138 CO 0.17 0.17 -0.17 0.00 0.98 0.00 0.00 173.24 174.40 1xpn s ALA 139 N 0.40 1.85 -0.27 5.32 0.00 0.77 -4.96 121.76 124.87 1xpn s ALA 139 Ca 0.06 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1xpn s ALA 139 Cb -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.11 1xpn s ALA 139 CO -0.01 -0.10 1.00 1.14 0.00 0.00 0.00 175.76 177.79 1xpn s GLN 140 N 1.00 4.16 0.00 0.00 -2.07 -1.26 -0.16 119.66 121.32 1xpn s GLN 140 Ca -0.05 1.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.62 1xpn s GLN 140 Cb -0.15 -3.68 0.00 0.00 -1.09 0.00 0.00 33.01 28.09 1xpn s GLN 140 CO -0.03 -0.71 0.00 0.45 -1.32 0.00 0.00 175.29 173.68 1xpn n SER 141 N 6.45 0.70 -4.55 12.60 2.88 0.54 -4.95 113.62 127.29 1xpn n SER 141 Ca 0.10 -0.46 -0.28 0.00 -1.33 0.00 0.00 58.87 56.91 1xpn n SER 141 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1xpn n SER 141 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xpn s ASP 142 N -0.62 4.55 0.00 -3.46 1.11 -1.26 -2.93 116.67 114.05 1xpn s ASP 142 Ca 0.00 0.33 0.00 0.00 0.18 0.00 0.00 52.55 53.06 1xpn s ASP 142 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1xpn s ASP 142 CO 0.00 -3.07 0.00 0.61 1.18 0.00 0.00 175.17 173.89 1xpn n GLY 143 N 6.33 0.71 2.72 0.21 0.00 -1.26 -4.92 105.19 108.99 1xpn n GLY 143 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.39 0.43 -0.37 1.61 1.02 -1.15 -5.10 119.74 115.79 1xpn s LYS 144 Ca 0.00 0.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.78 1xpn s LYS 144 Cb 0.00 -1.26 0.01 0.00 -0.52 0.00 0.00 37.83 36.06 1xpn s LYS 144 CO 0.00 -0.43 0.74 0.99 -0.92 0.00 0.00 175.35 175.73 1xpn s THR 145 N 2.00 4.78 0.14 2.17 2.01 -1.26 -0.34 115.64 125.13 1xpn s THR 145 Ca 0.03 0.77 -0.08 0.00 0.31 0.00 0.00 61.69 62.72 1xpn s THR 145 Cb -0.14 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1xpn s THR 145 CO -0.06 -0.41 0.43 0.27 -0.69 0.00 0.00 174.62 174.16 1xpn s ILE 146 N 2.99 5.08 -0.50 1.82 -4.36 0.77 -4.83 121.20 122.16 1xpn s ILE 146 Ca 0.29 0.32 -0.17 0.00 -0.26 0.00 0.00 60.65 60.83 1xpn s ILE 146 Cb -0.14 -3.63 0.08 0.00 1.25 0.00 0.00 42.46 40.02 1xpn s ILE 146 CO 0.16 0.12 0.49 -0.89 0.24 0.00 0.00 174.94 175.06 1xpn s THR 147 N -1.59 5.11 0.78 8.37 2.01 -1.26 -0.16 115.64 128.90 1xpn s THR 147 Ca 0.39 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1xpn s THR 147 Cb -0.13 -4.22 0.13 0.00 0.01 0.00 0.00 72.50 68.29 1xpn s THR 147 CO 0.21 -0.71 1.09 -1.61 -0.69 0.00 0.00 174.62 172.91 1xpn s GLU 148 N 1.97 1.52 2.07 4.92 2.02 0.66 -4.75 118.70 127.11 1xpn s GLU 148 Ca 0.07 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1xpn s GLU 148 Cb -0.24 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1xpn s GLU 148 CO 0.08 -1.67 0.00 0.41 0.02 0.00 0.00 175.26 174.10 1xpn n GLY 149 N -3.12 1.57 3.16 -1.39 0.00 -1.25 -2.07 105.19 102.08 1xpn n GLY 149 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.33 3.39 -0.02 0.00 -0.60 -4.74 105.19 101.90 1xpn n GLY 150 Ca 0.00 -1.64 -0.45 0.00 0.00 0.00 0.00 46.02 43.93 1xpn n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 151 N 0.00 4.96 -0.21 2.61 2.01 -0.50 -0.90 115.64 123.62 1xpn s THR 151 Ca 0.00 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 1xpn s THR 151 Cb 0.00 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1xpn s THR 151 CO 0.00 -0.90 0.33 0.54 -0.69 0.00 0.00 174.62 173.90 1xpn s VAL 152 N 2.35 5.25 -0.18 3.82 0.11 0.37 -1.02 120.40 131.10 1xpn s VAL 152 Ca 0.10 0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1xpn s VAL 152 Cb -0.23 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1xpn s VAL 152 CO 0.08 0.29 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.09 1xpn s THR 153 N 1.14 2.49 -0.18 5.04 2.01 -1.25 -0.34 115.64 124.55 1xpn s THR 153 Ca 0.16 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1xpn s THR 153 Cb -0.14 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1xpn s THR 153 CO 0.07 0.51 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.71 1xpn s LYS 154 N 1.17 3.55 -0.48 4.92 2.47 0.14 -4.62 119.74 126.89 1xpn s LYS 154 Ca 0.02 -0.57 -0.25 0.00 -1.56 0.00 0.00 55.97 53.61 1xpn s LYS 154 Cb -0.14 -2.94 0.03 0.00 -1.46 0.00 0.00 37.83 33.32 1xpn s LYS 154 CO -0.07 0.08 0.92 -1.17 0.16 0.00 0.00 175.35 175.28 1xpn s LEU 155 N 0.77 4.03 -0.17 5.43 2.96 -1.26 -0.47 118.68 129.97 1xpn s LEU 155 Ca -0.02 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1xpn s LEU 155 Cb -0.15 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 1xpn s LEU 155 CO 0.02 -1.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.17 1xpn s VAL 156 N 3.78 3.05 -0.45 1.68 1.01 -0.37 -4.99 120.40 124.11 1xpn s VAL 156 Ca 0.36 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1xpn s VAL 156 Cb -0.11 -2.32 0.11 0.00 0.00 0.00 0.00 36.38 34.06 1xpn s VAL 156 CO 0.25 0.49 0.29 -0.89 0.00 0.00 0.00 175.10 175.24 1xpn s THR 157 N 0.86 3.99 -0.75 3.92 2.01 -1.26 -0.02 115.64 124.39 1xpn s THR 157 Ca -0.03 -1.77 -0.26 0.00 0.31 0.00 0.00 61.69 59.94 1xpn s THR 157 Cb -0.15 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1xpn s THR 157 CO 0.00 -0.70 1.51 -0.69 -0.69 0.00 0.00 174.62 174.06 1xpn s VAL 158 N 1.32 3.62 -0.69 3.82 1.01 0.38 -4.82 120.40 125.03 1xpn s VAL 158 Ca 0.06 0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.34 1xpn s VAL 158 Cb -0.25 -4.59 0.75 0.00 0.00 0.00 0.00 36.38 32.29 1xpn s VAL 158 CO -0.01 -1.53 1.66 -1.20 0.00 0.00 0.00 175.10 174.01 1xpn n SER 159 N 10.61 5.13 -0.87 3.32 7.64 -1.26 -0.68 113.62 137.50 1xpn n SER 159 Ca 0.14 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1xpn n SER 159 Cb 0.50 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1xpn n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 160 N 0.85 0.52 1.17 0.23 0.00 -1.26 -5.00 105.19 101.70 1xpn n GLY 160 Ca 0.26 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.05 4.24 -4.83 1.61 7.64 -1.26 -4.03 113.62 116.94 1xpn n SER 161 Ca 0.00 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.83 1xpn n SER 161 Cb 0.00 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.32 3.96 -0.49 1.43 -0.21 -1.26 -4.28 119.66 116.48 1xpn s GLN 162 Ca 0.43 1.03 -0.27 0.00 0.02 0.00 0.00 55.36 56.57 1xpn s GLN 162 Cb 0.32 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1xpn s GLN 162 CO 0.14 -0.26 1.94 -2.14 -2.12 0.00 0.00 175.29 172.85 1xpn s PRO 163 N -3.84 2.78 -0.37 2.91 0.02 -1.26 -3.54 135.00 131.71 1xpn s PRO 163 Ca 0.60 1.03 -0.17 0.00 0.02 0.00 0.00 61.00 62.48 1xpn s PRO 163 Cb -0.10 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 30.06 1xpn s PRO 163 CO 0.27 -2.53 0.47 -0.65 -0.33 0.00 0.00 177.00 174.24 1xpn s GLN 164 N 6.78 3.48 -0.40 5.54 -0.21 0.56 -4.91 119.66 130.49 1xpn s GLN 164 Ca 0.77 -0.35 -0.28 0.00 0.02 0.00 0.00 55.36 55.51 1xpn s GLN 164 Cb -0.17 -3.85 0.02 0.00 1.00 0.00 0.00 33.01 30.02 1xpn s GLN 164 CO 0.26 -0.68 1.06 0.21 -2.12 0.00 0.00 175.29 174.02 1xpn s LYS 165 N 2.28 3.84 -0.15 2.91 2.36 -1.26 0.09 119.74 129.81 1xpn s LYS 165 Ca 0.16 0.70 0.00 0.00 -2.55 0.00 0.00 55.97 54.28 1xpn s LYS 165 Cb -0.16 -3.83 0.02 0.00 -1.05 0.00 0.00 37.83 32.81 1xpn s LYS 165 CO 0.13 -1.13 -0.15 0.08 1.55 0.00 0.00 175.35 175.83 1xpn s VAL 166 N 3.95 1.63 -0.20 4.02 1.01 0.46 -4.96 120.40 126.31 1xpn s VAL 166 Ca 0.44 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 1xpn s VAL 166 Cb -0.10 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1xpn s VAL 166 CO 0.24 0.47 0.81 -0.76 0.00 0.00 0.00 175.10 175.86 1xpn s LEU 167 N 1.45 4.13 -0.65 3.92 1.43 -1.26 -1.44 118.68 126.26 1xpn s LEU 167 Ca 0.05 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 54.01 1xpn s LEU 167 Cb -0.13 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 42.97 1xpn s LEU 167 CO -0.11 -0.44 0.96 -0.22 0.23 0.00 0.00 176.35 176.77 1xpn s LEU 168 N 2.42 4.37 0.23 1.79 2.96 0.12 -4.92 118.68 125.65 1xpn s LEU 168 Ca 0.36 -0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 53.13 1xpn s LEU 168 Cb -0.16 -2.46 0.06 0.00 0.50 0.00 0.00 46.19 44.13 1xpn s LEU 168 CO 0.10 -1.41 0.93 0.28 -1.32 0.00 0.00 176.35 174.92 1xpn s THR 169 N 4.03 0.00 -2.12 3.68 -1.32 -1.26 -2.48 115.64 116.17 1xpn s THR 169 Ca 0.23 -0.75 0.31 0.00 -1.21 0.00 0.00 61.69 60.27 1xpn s THR 169 Cb -0.16 -2.48 0.83 0.00 -1.51 0.00 0.00 72.50 69.17 1xpn s THR 169 CO 0.11 0.00 2.12 0.54 -2.21 0.00 0.00 174.62 175.18