#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 -0.87 0.00 1.61 0.15 -1.26 -5.09 113.70 108.24 1xpn s SER 2 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1xpn s SER 2 Cb 0.00 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.94 1xpn s SER 2 CO 0.00 -0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.04 1xpn n SER 3 N 5.34 0.00 -3.87 5.45 2.88 -1.26 -4.98 113.62 117.18 1xpn n SER 3 Ca 0.02 0.09 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 1xpn n SER 3 Cb 0.55 -0.44 0.03 0.00 -0.75 0.00 0.00 64.21 63.60 1xpn n SER 3 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1xpn n HIS 4 N -2.27 -2.26 -0.33 0.66 -0.00 -1.26 -4.86 115.22 104.91 1xpn n HIS 4 Ca 0.00 0.90 0.19 0.00 -0.00 0.00 0.00 57.72 58.81 1xpn n HIS 4 Cb 0.00 -4.08 0.44 0.00 -0.00 0.00 0.00 29.99 26.35 1xpn n HIS 4 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1xpn h HIS 5 N -2.08 0.83 -3.48 4.41 -0.00 -2.07 -3.05 115.15 109.70 1xpn h HIS 5 Ca -0.59 0.03 -0.73 0.00 -0.00 0.00 0.00 60.37 59.08 1xpn h HIS 5 Cb 1.37 -0.24 -0.30 0.00 -0.00 0.00 0.00 27.41 28.24 1xpn h HIS 5 CO 0.55 0.11 -0.26 -1.58 -0.00 0.00 0.00 177.93 176.75 1xpn s HIS 6 N -5.64 3.50 0.17 6.12 2.46 -1.26 -5.05 115.29 115.59 1xpn s HIS 6 Ca -0.10 -2.12 -0.31 0.00 0.47 0.00 0.00 55.06 53.00 1xpn s HIS 6 Cb 0.25 -3.50 -0.10 0.00 -0.13 0.00 0.00 32.58 29.11 1xpn s HIS 6 CO 0.80 -0.95 1.51 -1.01 -2.47 0.00 0.00 174.74 172.61 1xpn s HIS 7 N 0.69 3.09 -2.45 3.88 4.02 -1.16 -4.89 115.29 118.47 1xpn s HIS 7 Ca 0.12 0.76 0.20 0.00 1.02 0.00 0.00 55.06 57.16 1xpn s HIS 7 Cb -0.21 -3.86 0.17 0.00 -1.02 0.00 0.00 32.58 27.67 1xpn s HIS 7 CO -0.03 -3.08 1.14 0.72 1.02 0.00 0.00 174.74 174.51 1xpn n HIS 8 N 3.67 0.04 -2.58 1.40 -0.00 -1.26 -4.84 115.22 111.65 1xpn n HIS 8 Ca 0.12 -0.02 -0.41 0.00 -0.00 0.00 0.00 57.72 57.41 1xpn n HIS 8 Cb 0.40 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 1xpn n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 9 N -1.63 2.44 -0.78 4.41 4.02 -1.26 -4.74 115.29 117.74 1xpn s HIS 9 Ca 0.24 -0.49 0.24 0.00 1.02 0.00 0.00 55.06 56.07 1xpn s HIS 9 Cb 0.17 -4.64 0.24 0.00 -1.02 0.00 0.00 32.58 27.33 1xpn s HIS 9 CO 0.25 -1.98 1.21 0.43 1.02 0.00 0.00 174.74 175.67 1xpn n SER 10 N 9.01 0.62 -3.80 1.40 7.64 -1.26 -4.94 113.62 122.29 1xpn n SER 10 Ca 0.18 -0.22 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1xpn n SER 10 Cb 0.50 0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 64.14 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 -3.59 -0.09 -0.29 6.43 0.15 -1.26 -5.04 113.70 110.01 1xpn s SER 11 Ca 0.07 -0.59 0.11 0.00 0.70 0.00 0.00 55.95 56.24 1xpn s SER 11 Cb 0.15 0.46 0.70 0.00 -1.71 0.00 0.00 66.02 65.62 1xpn s SER 11 CO 0.76 -0.89 1.71 0.61 1.20 0.00 0.00 173.24 176.63 1xpn n GLY 12 N -0.22 3.80 5.00 9.45 0.00 -1.26 -4.98 105.19 116.99 1xpn n GLY 12 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1xpn n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xpn n LEU 13 N -0.26 0.00 -2.52 0.99 4.77 -1.26 -4.77 117.00 113.95 1xpn n LEU 13 Ca 0.36 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1xpn n LEU 13 Cb 1.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.35 1xpn n LEU 13 CO 0.36 0.00 -0.47 0.52 -1.33 0.00 0.00 177.39 176.47 1xpn n VAL 14 N 0.00-10.97 0.78 4.08 0.31 -1.26 -4.88 118.33 106.38 1xpn n VAL 14 Ca 0.00 1.83 0.09 0.00 -0.01 0.00 0.00 64.34 66.25 1xpn n VAL 14 Cb 0.00 -6.45 0.44 0.00 -0.91 0.00 0.00 33.84 26.92 1xpn n VAL 14 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xpn n PRO 15 N 0.84 0.15 -3.68 5.55 -0.02 -1.26 -4.44 135.00 132.14 1xpn n PRO 15 Ca -0.10 0.14 -0.27 0.00 -2.02 0.00 0.00 63.50 61.25 1xpn n PRO 15 Cb 0.15 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.97 1xpn n PRO 15 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1xpn s ARG 16 N -2.76 0.44 0.14 -0.52 3.52 -1.26 -5.13 118.95 113.38 1xpn s ARG 16 Ca 0.14 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 1xpn s ARG 16 Cb 0.12 -1.94 -0.07 0.00 -1.56 0.00 0.00 34.95 31.51 1xpn s ARG 16 CO 0.31 -0.71 0.90 0.20 -0.81 0.00 0.00 175.30 175.19 1xpn s GLY 17 N 1.95 2.99 0.10 8.12 0.00 -1.26 -5.05 107.32 114.17 1xpn s GLY 17 Ca 0.01 0.51 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 1xpn s GLY 17 CO -0.12 1.25 0.57 -0.45 0.00 0.00 0.00 173.10 174.35 1xpn s SER 18 N -0.48 7.00 -0.59 1.64 0.15 -1.26 -5.01 113.70 115.14 1xpn s SER 18 Ca 0.42 1.22 -0.28 0.00 0.70 0.00 0.00 55.95 58.02 1xpn s SER 18 Cb -0.24 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1xpn s SER 18 CO 0.29 0.21 1.39 -1.00 1.20 0.00 0.00 173.24 175.33 1xpn s HIS 19 N -1.23 2.30 0.28 3.44 3.76 -1.26 -4.99 115.29 117.59 1xpn s HIS 19 Ca 0.32 0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 55.55 1xpn s HIS 19 Cb -0.18 -4.43 -0.07 0.00 1.11 0.00 0.00 32.58 29.01 1xpn s HIS 19 CO 0.19 -1.95 0.60 -1.64 -0.85 0.00 0.00 174.74 171.09 1xpn s MET 20 N 5.53 3.77 -0.43 1.40 -1.94 -1.26 -4.98 119.30 121.39 1xpn s MET 20 Ca 0.49 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.76 1xpn s MET 20 Cb -0.10 -2.59 0.54 0.00 2.01 0.00 0.00 34.83 34.69 1xpn s MET 20 CO 0.23 0.22 1.85 0.00 -0.01 0.00 0.00 175.02 177.32 1xpn n ALA 21 N -0.55 5.39 -0.71 3.03 0.00 -1.26 -5.01 120.51 121.41 1xpn n ALA 21 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1xpn n ALA 21 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1xpn n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xpn n SER 22 N -0.86 -3.87 -3.80 0.00 7.64 -1.26 -5.00 113.62 106.47 1xpn n SER 22 Ca 0.53 0.82 -0.26 0.00 1.01 0.00 0.00 58.87 60.97 1xpn n SER 22 Cb 1.32 -1.73 -0.17 0.00 -1.01 0.00 0.00 64.21 62.62 1xpn n SER 22 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1xpn s ASN 23 N -3.96 2.41 -0.15 6.43 3.84 -1.26 -5.12 114.94 117.14 1xpn s ASN 23 Ca 0.00 -0.51 -0.29 0.00 0.21 0.00 0.00 52.86 52.27 1xpn s ASN 23 Cb 0.00 -0.64 -0.03 0.00 -0.55 0.00 0.00 41.25 40.03 1xpn s ASN 23 CO 0.00 -0.23 1.43 -2.16 -2.79 0.00 0.00 177.10 173.35 1xpn s PRO 24 N 1.83 4.13 0.52 0.43 0.04 -1.26 -5.02 135.00 135.67 1xpn s PRO 24 Ca 0.02 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1xpn s PRO 24 Cb -0.15 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.52 1xpn s PRO 24 CO -0.07 -0.86 0.77 0.54 0.04 0.00 0.00 177.00 177.42 1xpn s ASN 25 N 2.75 5.64 0.00 6.66 4.22 -1.26 -5.02 114.94 127.92 1xpn s ASN 25 Ca 0.63 0.39 0.00 0.00 -2.14 0.00 0.00 52.86 51.74 1xpn s ASN 25 Cb -0.25 -1.48 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1xpn s ASN 25 CO 0.22 -0.91 0.00 -0.67 -2.04 0.00 0.00 177.10 173.69 1xpn n ASP 26 N -2.31 1.23 -4.67 3.54 2.03 -1.26 -5.03 116.55 110.09 1xpn n ASP 26 Ca 0.04 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 1xpn n ASP 26 Cb 0.58 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.89 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xpn s LEU 27 N -4.61 4.14 0.34 -2.67 1.43 -1.26 -5.03 118.68 111.01 1xpn s LEU 27 Ca 0.00 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 1xpn s LEU 27 Cb 0.00 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1xpn s LEU 27 CO 0.00 0.01 0.99 -2.16 0.23 0.00 0.00 176.35 175.42 1xpn s PRO 28 N 1.13 4.48 -0.90 1.29 0.04 -1.26 -4.99 135.00 134.80 1xpn s PRO 28 Ca 0.12 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 1xpn s PRO 28 Cb -0.14 -2.79 0.06 0.00 0.04 0.00 0.00 34.50 31.67 1xpn s PRO 28 CO 0.06 0.16 1.30 0.34 0.04 0.00 0.00 177.00 178.91 1xpn s ASP 29 N -1.50 6.40 -0.07 6.66 2.15 -1.26 -4.98 116.67 124.07 1xpn s ASP 29 Ca 0.51 -1.25 0.04 0.00 0.43 0.00 0.00 52.55 52.29 1xpn s ASP 29 Cb -0.21 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1xpn s ASP 29 CO 0.27 -1.51 -0.21 0.12 -0.17 0.00 0.00 175.17 173.66 1xpn s PHE 30 N 4.70 2.56 0.22 -5.34 5.36 -1.26 -5.10 117.98 119.12 1xpn s PHE 30 Ca 0.39 -0.67 -0.31 0.00 -0.96 0.00 0.00 56.93 55.37 1xpn s PHE 30 Cb -0.05 -1.66 -0.15 0.00 -0.34 0.00 0.00 43.02 40.83 1xpn s PHE 30 CO -0.02 -0.19 1.21 -0.35 -1.46 0.00 0.00 175.22 174.42 1xpn n PRO 31 N 3.03 1.47 -0.11 10.12 -0.04 -1.26 -4.84 135.00 143.37 1xpn n PRO 31 Ca -0.18 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1xpn n PRO 31 Cb 0.52 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1xpn n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xpn n GLU 32 N 1.62 0.87 0.08 0.54 4.71 -1.26 -4.31 120.64 122.89 1xpn n GLU 32 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.30 1xpn n GLU 32 Cb 0.28 -1.06 0.39 0.00 -1.01 0.00 0.00 31.44 30.04 1xpn n GLU 32 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1xpn h HIS 33 N 0.54 0.35 0.00 -0.32 3.86 -2.01 -2.76 115.15 114.81 1xpn h HIS 33 Ca 0.00 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1xpn h HIS 33 Cb 0.87 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1xpn h HIS 33 CO 0.07 0.38 -0.23 0.93 0.86 0.00 0.00 177.93 179.94 1xpn h GLU 34 N 0.34 0.00 0.00 2.45 5.08 -1.99 -2.53 114.58 117.92 1xpn h GLU 34 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1xpn h GLU 34 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xpn h GLU 34 CO 0.01 0.23 0.00 1.88 -1.00 0.00 0.00 179.01 180.13 1xpn h TYR 35 N 0.00 0.00 -0.50 4.33 0.05 -1.85 -2.72 116.97 116.28 1xpn h TYR 35 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1xpn h TYR 35 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1xpn h TYR 35 CO 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 178.16 177.12 1xpn n ALA 36 N -1.87 3.69 -2.19 3.88 0.00 -0.95 -4.32 120.51 118.74 1xpn n ALA 36 Ca 0.02 -2.06 0.04 0.00 0.00 0.00 0.00 53.44 51.45 1xpn n ALA 36 Cb 0.29 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 0.27 2.66 -1.08 0.00 0.00 -1.03 -4.81 120.51 116.53 1xpn n ALA 37 Ca 0.27 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1xpn n ALA 37 Cb 1.13 -0.61 0.28 0.00 0.00 0.00 0.00 19.45 20.25 1xpn n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xpn n THR 38 N -0.01 2.67 -4.93 0.00 -2.24 -1.26 -5.07 114.28 103.43 1xpn n THR 38 Ca 0.09 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 1xpn n THR 38 Cb 0.98 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1xpn n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xpn n GLN 39 N -0.36 0.00 0.15 -0.78 6.02 -1.26 -4.87 117.38 116.28 1xpn n GLN 39 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1xpn n GLN 39 Cb 1.17 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.43 1xpn n GLN 39 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1xpn n GLN 40 N -0.71 0.00 -2.27 -1.09 0.00 -1.26 -5.05 117.38 107.00 1xpn n GLN 40 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 1xpn n GLN 40 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xpn s VAL 41 N -1.66 3.52 0.51 1.69 1.01 -1.26 -4.64 120.40 119.57 1xpn s VAL 41 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.34 1xpn s VAL 41 Cb 0.00 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1xpn s VAL 41 CO 0.00 -1.35 0.64 -0.83 0.00 0.00 0.00 175.10 173.56 1xpn s GLY 42 N 6.13 1.91 0.00 4.51 0.00 -1.21 -4.74 107.32 113.92 1xpn s GLY 42 Ca 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1xpn s GLY 42 CO 0.17 -1.65 0.23 0.61 0.00 0.00 0.00 173.10 172.46 1xpn n GLY 43 N -1.99 -0.86 3.85 0.20 0.00 0.05 -4.26 105.19 102.19 1xpn n GLY 43 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.30 -0.20 -0.02 0.00 0.40 -4.46 107.32 105.34 1xpn s GLY 44 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1xpn s GLY 44 CO 0.00 0.20 -0.15 0.14 0.00 0.00 0.00 173.10 173.28 1xpn s VAL 45 N -2.00 2.31 -0.39 1.40 1.01 -1.26 -2.71 120.40 118.76 1xpn s VAL 45 Ca 0.53 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1xpn s VAL 45 Cb -0.10 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1xpn s VAL 45 CO 0.19 0.41 0.41 -0.63 0.00 0.00 0.00 175.10 175.47 1xpn s ILE 46 N 1.29 5.12 -0.54 2.22 1.01 0.11 -0.72 121.20 129.69 1xpn s ILE 46 Ca 0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1xpn s ILE 46 Cb -0.14 -3.95 0.13 0.00 0.01 0.00 0.00 42.46 38.51 1xpn s ILE 46 CO -0.10 -0.29 0.47 0.20 0.00 0.00 0.00 174.94 175.23 1xpn s ASN 47 N 1.77 6.07 -0.22 3.58 0.02 -0.47 -1.93 114.94 123.77 1xpn s ASN 47 Ca 0.12 -1.92 -0.05 0.00 -1.02 0.00 0.00 52.86 49.99 1xpn s ASN 47 Cb -0.17 -2.14 -0.02 0.00 0.02 0.00 0.00 41.25 38.94 1xpn s ASN 47 CO 0.13 -0.78 -0.01 -0.83 0.02 0.00 0.00 177.10 175.63 1xpn s GLY 48 N 3.14 1.66 -0.25 0.66 0.00 -0.69 -0.98 107.32 110.86 1xpn s GLY 48 Ca 0.05 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 1xpn s GLY 48 CO 0.01 0.38 0.11 0.99 0.00 0.00 0.00 173.10 174.58 1xpn s ASP 49 N 1.34 5.45 -0.19 1.64 1.01 -0.30 -1.59 116.67 124.03 1xpn s ASP 49 Ca 0.04 -0.12 -0.08 0.00 0.71 0.00 0.00 52.55 53.10 1xpn s ASP 49 Cb -0.14 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1xpn s ASP 49 CO -0.00 -0.02 0.09 -0.22 0.21 0.00 0.00 175.17 175.23 1xpn s LEU 50 N 1.54 4.01 -0.29 1.23 2.96 -0.19 -0.53 118.68 127.39 1xpn s LEU 50 Ca 0.06 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.99 1xpn s LEU 50 Cb -0.15 -2.02 0.14 0.00 0.50 0.00 0.00 46.19 44.66 1xpn s LEU 50 CO 0.06 0.19 0.88 -0.72 -1.32 0.00 0.00 176.35 175.44 1xpn s TYR 51 N 0.28 -0.82 -0.09 5.38 1.13 -1.04 -4.08 117.35 118.11 1xpn s TYR 51 Ca 0.06 1.52 0.01 0.00 -1.41 0.00 0.00 57.07 57.24 1xpn s TYR 51 Cb -0.12 0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1xpn s TYR 51 CO -0.01 -0.41 -0.10 -0.51 -2.51 0.00 0.00 175.55 172.02 1xpn s LEU 52 N 2.02 2.94 -0.28 -3.49 1.43 0.79 -4.49 118.68 117.60 1xpn s LEU 52 Ca -0.07 -0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 1xpn s LEU 52 Cb -0.06 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1xpn s LEU 52 CO -0.17 0.28 0.87 0.42 0.23 0.00 0.00 176.35 177.99 1xpn s THR 53 N -0.35 4.75 0.74 5.49 -4.23 -1.25 -1.62 115.64 119.17 1xpn s THR 53 Ca 0.04 1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 61.91 1xpn s THR 53 Cb -0.12 -4.20 0.05 0.00 1.34 0.00 0.00 72.50 69.57 1xpn s THR 53 CO 0.02 -0.22 1.16 -0.44 -0.54 0.00 0.00 174.62 174.60 1xpn s SER 54 N 1.48 4.29 0.46 3.99 0.01 0.13 -4.84 113.70 119.22 1xpn s SER 54 Ca 0.36 2.17 0.20 0.00 1.31 0.00 0.00 55.95 60.00 1xpn s SER 54 Cb -0.14 -2.57 1.13 0.00 0.21 0.00 0.00 66.02 64.65 1xpn s SER 54 CO 0.10 -2.19 1.98 0.00 0.41 0.00 0.00 173.24 173.54 1xpn h ALA 55 N -0.55 1.40 0.00 1.44 0.00 -1.96 0.39 119.26 119.99 1xpn h ALA 55 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xpn h ALA 55 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpn h ALA 55 CO 0.50 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 1xpn n SER 56 N -3.92 0.14 -0.59 0.00 3.41 -1.26 -4.93 113.62 106.47 1xpn n SER 56 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1xpn n SER 56 Cb 0.29 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 57 N 1.06 0.67 3.00 5.00 0.00 0.13 -5.13 105.19 109.91 1xpn n GLY 57 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.40 -0.05 -0.47 4.61 0.00 -1.24 -4.90 121.76 117.32 1xpn s ALA 58 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1xpn s ALA 58 Cb 0.00 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.31 1xpn s ALA 58 CO 0.00 -0.14 0.35 0.42 0.00 0.00 0.00 175.76 176.40 1xpn s ILE 59 N -1.06 4.50 -0.24 0.00 1.01 -1.26 0.22 121.20 124.37 1xpn s ILE 59 Ca -0.12 -1.55 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 1xpn s ILE 59 Cb -0.07 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1xpn s ILE 59 CO -0.00 -0.70 0.10 -1.10 0.00 0.00 0.00 174.94 173.24 1xpn s GLN 60 N 1.45 3.84 0.00 2.79 -1.52 -0.64 -4.92 119.66 120.66 1xpn s GLN 60 Ca 0.04 -0.39 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 1xpn s GLN 60 Cb -0.26 -3.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 1xpn s GLN 60 CO 0.01 -0.03 0.00 1.63 -0.25 0.00 0.00 175.29 176.65 1xpn n LYS 61 N 4.50 0.00 0.00 2.91 4.76 -1.26 -0.15 118.16 128.92 1xpn n LYS 61 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1xpn n LYS 61 Cb 0.52 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 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 0.99 -1.91 3.53 0.72 0.00 -1.26 -3.26 105.19 104.00 1xpn n GLY 62 Ca 0.00 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 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 5.06 -1.11 2.61 2.01 -1.26 -3.94 115.64 119.02 1xpn s THR 63 Ca 0.00 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1xpn s THR 63 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1xpn s THR 63 CO 0.00 -0.27 0.93 -3.20 -0.69 0.00 0.00 174.62 171.39 1xpn n ASN 64 N 5.64 -3.25 -4.46 3.53 2.85 -1.00 -5.00 115.26 113.57 1xpn n ASN 64 Ca -0.06 -0.62 -0.33 0.00 -0.11 0.00 0.00 54.58 53.46 1xpn n ASN 64 Cb 0.48 -4.94 -0.13 0.00 1.24 0.00 0.00 39.78 36.44 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1xpn s THR 65 N -3.35 3.58 -0.32 -0.44 2.01 -1.25 -4.86 115.64 111.00 1xpn s THR 65 Ca 0.12 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 1xpn s THR 65 Cb -0.02 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1xpn s THR 65 CO 0.70 0.52 1.03 -0.75 -0.69 0.00 0.00 174.62 175.42 1xpn s LYS 66 N 0.23 4.05 -0.34 4.92 2.20 -1.25 -0.47 119.74 129.07 1xpn s LYS 66 Ca -0.05 0.99 -0.13 0.00 -0.36 0.00 0.00 55.97 56.43 1xpn s LYS 66 Cb -0.14 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1xpn s LYS 66 CO 0.04 -0.86 0.23 0.08 -0.36 0.00 0.00 175.35 174.48 1xpn s VAL 67 N 3.53 5.18 -0.36 4.02 1.01 0.14 -3.75 120.40 130.16 1xpn s VAL 67 Ca 0.43 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1xpn s VAL 67 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1xpn s VAL 67 CO 0.15 -0.03 0.24 0.00 0.00 0.00 0.00 175.10 175.46 1xpn s ALA 68 N 1.70 3.43 -0.52 5.51 0.00 0.13 -0.23 121.76 131.78 1xpn s ALA 68 Ca 0.06 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 1xpn s ALA 68 Cb -0.18 -2.68 0.10 0.00 0.00 0.00 0.00 23.12 20.37 1xpn s ALA 68 CO 0.10 -1.17 0.50 -1.17 0.00 0.00 0.00 175.76 174.02 1xpn s LEU 69 N 1.67 5.84 0.10 0.00 2.96 0.84 -1.02 118.68 129.07 1xpn s LEU 69 Ca 0.05 -1.55 0.09 0.00 -0.22 0.00 0.00 54.13 52.50 1xpn s LEU 69 Cb -0.18 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1xpn s LEU 69 CO 0.09 -0.83 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.27 1xpn s GLU 70 N 1.81 1.81 0.22 1.98 -1.05 -0.71 -1.49 118.70 121.28 1xpn s GLU 70 Ca 0.05 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.42 1xpn s GLU 70 Cb -0.27 -2.10 -0.09 0.00 -0.44 0.00 0.00 34.13 31.24 1xpn s GLU 70 CO 0.05 0.49 1.17 -2.14 0.95 0.00 0.00 175.26 175.78 1xpn s PRO 71 N -1.93 4.53 -0.29 -4.83 0.02 -1.26 0.25 135.00 131.50 1xpn s PRO 71 Ca 0.16 1.87 -0.26 0.00 0.02 0.00 0.00 61.00 62.79 1xpn s PRO 71 Cb -0.10 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.20 1xpn s PRO 71 CO 0.08 -0.00 0.92 0.00 -0.33 0.00 0.00 177.00 177.67 1xpn s ALA 72 N -0.44 3.56 0.29 -1.55 0.00 -0.04 -4.75 121.76 118.84 1xpn s ALA 72 Ca 0.50 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1xpn s ALA 72 Cb -0.33 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1xpn s ALA 72 CO 0.39 -1.22 0.14 0.95 0.00 0.00 0.00 175.76 176.02 1xpn s THR 73 N 3.19 0.37 0.06 0.00 -4.23 -1.26 -4.82 115.64 108.95 1xpn s THR 73 Ca 0.39 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1xpn s THR 73 Cb -0.14 -2.54 -0.12 0.00 1.34 0.00 0.00 72.50 71.04 1xpn s THR 73 CO 0.11 0.00 1.38 0.28 -0.54 0.00 0.00 174.62 175.86 1xpn h SER 74 N 2.26 0.47 -0.70 3.99 0.02 -1.98 -0.03 113.55 117.57 1xpn h SER 74 Ca -0.35 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.14 1xpn h SER 74 Cb 1.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1xpn h SER 74 CO 0.54 0.83 0.43 0.22 -1.14 0.00 0.00 176.83 177.71 1xpn h TYR 75 N 0.11 0.91 0.00 3.45 3.20 -1.96 -1.98 116.97 120.70 1xpn h TYR 75 Ca 0.03 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1xpn h TYR 75 Cb 0.69 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1xpn h TYR 75 CO 0.08 0.60 -0.33 1.98 -1.64 0.00 0.00 178.16 178.85 1xpn h MET 76 N 0.96 0.00 -0.89 1.82 4.05 -1.88 -3.24 114.93 115.76 1xpn h MET 76 Ca 0.25 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1xpn h MET 76 Cb -0.06 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 1xpn h MET 76 CO -0.05 0.33 0.58 -0.22 0.23 0.00 0.00 176.91 177.78 1xpn h LYS 77 N 0.00 1.15 -0.79 0.39 3.64 -0.20 0.49 116.57 121.25 1xpn h LYS 77 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1xpn h LYS 77 Cb 1.07 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1xpn h LYS 77 CO 0.04 0.76 0.39 0.00 -2.27 0.00 0.00 179.45 178.38 1xpn h ALA 78 N 1.33 1.21 -0.01 5.00 0.00 -1.59 -0.77 119.26 124.45 1xpn h ALA 78 Ca 0.33 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1xpn h ALA 78 Cb -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.38 1xpn h ALA 78 CO -0.08 0.61 -0.97 -0.92 0.00 0.00 0.00 179.25 177.89 1xpn h TYR 79 N 1.11 0.81 -0.60 0.00 3.20 -1.48 -3.24 116.97 116.78 1xpn h TYR 79 Ca 0.27 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 1xpn h TYR 79 Cb 0.08 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1xpn h TYR 79 CO 0.01 1.26 0.31 -0.92 -1.64 0.00 0.00 178.16 177.19 1xpn h TYR 80 N 0.31 0.81 0.00 -3.82 3.20 0.40 -1.67 116.97 116.20 1xpn h TYR 80 Ca -0.10 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1xpn h TYR 80 Cb 1.62 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 1xpn h TYR 80 CO 0.08 0.57 -0.00 0.00 -1.64 0.00 0.00 178.16 177.17 1xpn h ALA 81 N 1.52 1.02 0.04 1.82 0.00 -1.18 0.29 119.26 122.77 1xpn h ALA 81 Ca 0.21 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1xpn h ALA 81 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xpn h ALA 81 CO -0.03 0.01 -0.81 0.87 0.00 0.00 0.00 179.25 179.28 1xpn h LYS 82 N 0.00 0.09 -0.22 0.00 1.57 -1.42 -3.39 116.57 113.21 1xpn h LYS 82 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1xpn h LYS 82 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1xpn h LYS 82 CO 0.00 1.08 0.00 1.19 -0.57 0.00 0.00 179.45 181.15 1xpn n PHE 83 N -4.33 0.42 -1.83 -1.35 3.72 -1.13 -4.94 117.46 108.02 1xpn n PHE 83 Ca -0.21 -0.63 -0.42 0.00 -0.05 0.00 0.00 57.45 56.14 1xpn n PHE 83 Cb 0.68 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.39 0.59 -0.74 1.37 0.00 0.10 -3.60 107.32 103.65 1xpn s GLY 84 Ca 0.23 0.39 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 1xpn s GLY 84 CO 0.09 3.52 0.63 1.16 0.00 0.00 0.00 173.10 178.50 1xpn n ASN 85 N 11.26 -5.40 -4.55 1.64 0.23 -1.22 -4.87 115.26 112.35 1xpn n ASN 85 Ca 0.26 -0.67 -0.35 0.00 -0.53 0.00 0.00 54.58 53.30 1xpn n ASN 85 Cb 0.47 -2.20 -0.11 0.00 -2.08 0.00 0.00 39.78 35.85 1xpn n ASN 85 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1xpn s LEU 86 N -4.32 3.55 0.47 -4.53 0.20 0.13 -4.89 118.68 109.29 1xpn s LEU 86 Ca 0.08 -0.05 -0.24 0.00 0.69 0.00 0.00 54.13 54.61 1xpn s LEU 86 Cb -0.01 -1.89 -0.07 0.00 -0.43 0.00 0.00 46.19 43.78 1xpn s LEU 86 CO 0.87 0.13 1.36 -0.62 -0.29 0.00 0.00 176.35 177.80 1xpn s ASP 87 N 0.60 5.84 0.47 3.68 -1.08 -1.26 -1.03 116.67 123.89 1xpn s ASP 87 Ca 0.01 2.76 0.21 0.00 -0.52 0.00 0.00 52.55 55.01 1xpn s ASP 87 Cb -0.13 -2.64 1.18 0.00 -1.46 0.00 0.00 42.92 39.86 1xpn s ASP 87 CO 0.02 -1.18 2.00 0.00 0.52 0.00 0.00 175.17 176.52 1xpn h ALA 88 N 2.16 1.40 -0.00 3.66 0.00 -1.63 -0.52 119.26 124.32 1xpn h ALA 88 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1xpn h ALA 88 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpn h ALA 88 CO 0.60 0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.95 1xpn n ALA 89 N -2.37 2.77 -0.47 0.00 0.00 -1.26 -2.83 120.51 116.35 1xpn n ALA 89 Ca -0.02 -0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.26 1xpn n ALA 89 Cb 0.28 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.15 3.11 -2.22 0.00 5.02 -0.22 -4.94 118.16 117.75 1xpn n LYS 90 Ca 0.12 -2.52 -0.40 0.00 -2.02 0.00 0.00 58.31 53.49 1xpn n LYS 90 Cb 0.29 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xpn s ARG 91 N -1.53 2.96 -0.12 1.97 6.06 -1.12 -4.89 118.95 122.28 1xpn s ARG 91 Ca 0.38 0.48 -0.29 0.00 -2.50 0.00 0.00 55.73 53.80 1xpn s ARG 91 Cb 0.24 -4.27 -0.04 0.00 0.06 0.00 0.00 34.95 30.94 1xpn s ARG 91 CO 0.20 -2.35 1.60 0.34 -2.50 0.00 0.00 175.30 172.59 1xpn s ASP 92 N 6.16 6.59 0.00 -2.12 -1.08 -1.26 -4.89 116.67 120.08 1xpn s ASP 92 Ca 0.58 1.96 0.21 0.00 -0.52 0.00 0.00 52.55 54.78 1xpn s ASP 92 Cb -0.12 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 39.78 1xpn s ASP 92 CO 0.22 -1.03 1.66 -0.81 0.52 0.00 0.00 175.17 175.73 1xpn n PRO 93 N 7.26 0.17 -0.08 4.34 -0.04 -1.26 -2.55 135.00 142.84 1xpn n PRO 93 Ca 0.17 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1xpn n PRO 93 Cb 0.44 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.51 1xpn n PRO 93 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xpn n ASP 94 N -1.38 2.60 -4.25 3.54 8.00 -1.26 -4.74 116.55 119.06 1xpn n ASP 94 Ca 0.08 -1.76 -0.44 0.00 0.71 0.00 0.00 54.79 53.39 1xpn n ASP 94 Cb 0.20 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xpn s VAL 95 N -1.18 4.98 0.20 2.53 1.01 -1.06 -5.06 120.40 121.83 1xpn s VAL 95 Ca 0.22 -2.59 -0.09 0.00 0.00 0.00 0.00 61.98 59.52 1xpn s VAL 95 Cb 0.14 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1xpn s VAL 95 CO 0.20 -0.97 0.51 0.00 0.00 0.00 0.00 175.10 174.83 1xpn s GLN 96 N 0.14 3.78 -0.16 2.72 0.00 -1.26 -4.93 119.66 119.96 1xpn s GLN 96 Ca 0.17 0.22 -0.29 0.00 -0.00 0.00 0.00 55.36 55.46 1xpn s GLN 96 Cb -0.14 -2.72 -0.05 0.00 0.00 0.00 0.00 33.01 30.10 1xpn s GLN 96 CO -0.07 0.37 1.84 -2.14 0.00 0.00 0.00 175.29 175.29 1xpn s PRO 97 N -2.68 3.74 0.99 9.60 0.02 -1.26 -4.98 135.00 140.42 1xpn s PRO 97 Ca 0.45 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 1xpn s PRO 97 Cb -0.12 -4.14 0.18 0.00 0.02 0.00 0.00 34.50 30.45 1xpn s PRO 97 CO 0.21 -1.39 1.10 -2.14 -0.33 0.00 0.00 177.00 174.45 1xpn s PRO 98 N 4.99 0.49 -0.82 5.54 0.02 -1.26 -4.88 135.00 139.08 1xpn s PRO 98 Ca 0.82 1.19 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 1xpn s PRO 98 Cb -0.31 -1.69 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1xpn s PRO 98 CO 0.33 -2.88 1.66 0.08 -0.33 0.00 0.00 177.00 175.87 1xpn s VAL 99 N -2.65 3.59 0.88 3.83 1.01 -1.26 -4.97 120.40 120.83 1xpn s VAL 99 Ca 0.66 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1xpn s VAL 99 Cb -0.22 -4.44 0.17 0.00 0.00 0.00 0.00 36.38 31.89 1xpn s VAL 99 CO 0.60 -1.37 1.21 -0.76 0.00 0.00 0.00 175.10 174.78 1xpn s LEU 100 N 7.66 2.79 0.17 3.92 1.43 -1.26 -5.01 118.68 128.37 1xpn s LEU 100 Ca 0.56 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.47 1xpn s LEU 100 Cb -0.07 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 1xpn s LEU 100 CO 0.06 -2.40 1.35 -0.62 0.23 0.00 0.00 176.35 174.97 1xpn s ASP 101 N -4.82 6.85 0.00 2.29 -1.08 -1.26 -4.89 116.67 113.76 1xpn s ASP 101 Ca 0.71 2.39 0.01 0.00 -0.52 0.00 0.00 52.55 55.14 1xpn s ASP 101 Cb -0.05 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1xpn s ASP 101 CO 0.50 -0.59 0.98 -2.65 0.52 0.00 0.00 175.17 173.92 1xpn n PRO 102 N 3.13 0.00 0.28 4.34 -0.02 -1.26 -2.01 135.00 139.46 1xpn n PRO 102 Ca 0.08 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1xpn n PRO 102 Cb 0.42 -1.50 0.81 0.00 -0.02 0.00 0.00 33.50 33.21 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 0.00 -0.94 -0.52 -0.00 -2.01 -1.10 114.38 109.82 1xpn h ARG 103 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.59 1xpn h ARG 103 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 29.90 1xpn h ARG 103 CO 0.00 0.00 0.57 0.00 0.00 0.00 0.00 179.97 180.54 1xpn h ARG 104 N 0.00 0.89 0.00 0.04 3.08 -1.79 0.40 114.38 117.00 1xpn h ARG 104 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xpn h ARG 104 Cb 0.03 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1xpn h ARG 104 CO -0.00 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1xpn n ALA 105 N -2.36 1.61 -0.05 0.04 0.00 -0.42 0.19 120.51 119.52 1xpn n ALA 105 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1xpn n ALA 105 Cb 0.32 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.63 1.57 -0.02 0.00 -1.04 0.07 -4.57 114.28 108.66 1xpn n THR 106 Ca 0.03 -0.74 0.04 0.00 -2.04 0.00 0.00 64.05 61.34 1xpn n THR 106 Cb 0.17 -1.12 -0.12 0.00 -1.82 0.00 0.00 70.33 67.44 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 -3.11 0.00 -2.92 -1.42 4.01 -0.82 -4.94 117.16 107.97 1xpn n TYR 107 Ca -0.29 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.04 1xpn n TYR 107 Cb 1.07 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 39.62 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 -2.91 4.95 -0.38 -0.72 1.01 0.13 -4.79 120.40 117.69 1xpn s VAL 108 Ca -0.06 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1xpn s VAL 108 Cb 0.09 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1xpn s VAL 108 CO 0.64 0.16 0.29 -0.13 0.00 0.00 0.00 175.10 176.06 1xpn s ARG 109 N 1.24 3.23 -0.34 2.72 3.00 -0.55 -4.82 118.95 123.43 1xpn s ARG 109 Ca 0.41 -0.82 -0.12 0.00 0.00 0.00 0.00 55.73 55.21 1xpn s ARG 109 Cb -0.18 -3.90 -0.01 0.00 0.00 0.00 0.00 34.95 30.86 1xpn s ARG 109 CO 0.19 -0.62 0.21 -1.21 0.00 0.00 0.00 175.30 173.88 1xpn s GLU 110 N 1.74 3.35 0.37 3.54 2.02 -1.25 -0.11 118.70 128.36 1xpn s GLU 110 Ca 0.06 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.40 1xpn s GLU 110 Cb -0.18 -3.74 -0.07 0.00 0.10 0.00 0.00 34.13 30.24 1xpn s GLU 110 CO 0.11 -0.48 -0.05 0.00 0.02 0.00 0.00 175.26 174.86 1xpn s ALA 111 N 1.67 3.06 -0.20 5.21 0.00 0.68 -4.91 121.76 127.26 1xpn s ALA 111 Ca 0.05 -2.19 -0.02 0.00 0.00 0.00 0.00 51.96 49.80 1xpn s ALA 111 Cb -0.18 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1xpn s ALA 111 CO 0.09 -0.01 -0.11 0.99 0.00 0.00 0.00 175.76 176.71 1xpn s THR 112 N -2.66 2.80 0.28 0.00 2.01 -1.26 0.24 115.64 117.05 1xpn s THR 112 Ca 0.34 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1xpn s THR 112 Cb 0.06 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 1xpn s THR 112 CO 0.17 0.48 1.42 0.42 -0.69 0.00 0.00 174.62 176.42 1xpn s THR 113 N 1.34 2.59 1.04 -0.82 -4.23 0.38 -4.85 115.64 111.09 1xpn s THR 113 Ca 0.05 0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1xpn s THR 113 Cb -0.14 -3.33 0.21 0.00 1.34 0.00 0.00 72.50 70.58 1xpn s THR 113 CO -0.07 0.10 1.11 -1.81 -0.54 0.00 0.00 174.62 173.41 1xpn s ASP 114 N 0.13 2.29 0.67 3.99 1.11 -1.00 -2.36 116.67 121.49 1xpn s ASP 114 Ca 0.56 0.96 0.38 0.00 0.18 0.00 0.00 52.55 54.64 1xpn s ASP 114 Cb -0.42 -1.48 2.09 0.00 1.07 0.00 0.00 42.92 44.18 1xpn s ASP 114 CO 0.47 -3.31 2.18 -0.61 1.18 0.00 0.00 175.17 175.08 1xpn h GLN 115 N -2.02 0.00 -0.00 8.23 4.15 -1.91 0.78 115.11 124.33 1xpn h GLN 115 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1xpn h GLN 115 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1xpn h GLN 115 CO 0.52 0.00 -0.02 0.09 -1.93 0.00 0.00 178.83 177.49 1xpn n ASN 116 N -3.01 0.15 -2.34 -0.69 4.13 -1.26 -4.81 115.26 107.43 1xpn n ASN 116 Ca -0.03 -0.61 -0.09 0.00 1.68 0.00 0.00 54.58 55.53 1xpn n ASN 116 Cb 0.21 -0.12 0.05 0.00 -1.54 0.00 0.00 39.78 38.37 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 117 N 1.17 0.00 2.97 7.41 0.00 0.27 -4.86 105.19 112.14 1xpn n GLY 117 Ca 0.18 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.76 0.45 -0.03 1.61 1.81 -1.25 -1.03 118.95 115.76 1xpn s ARG 118 Ca 0.00 -0.21 0.04 0.00 -1.72 0.00 0.00 55.73 53.85 1xpn s ARG 118 Cb -0.00 -0.43 -0.00 0.00 -0.45 0.00 0.00 34.95 34.06 1xpn s ARG 118 CO 0.40 0.12 -0.14 -0.59 -0.68 0.00 0.00 175.30 174.41 1xpn s PHE 119 N -0.15 1.36 -0.08 -0.53 -0.71 -0.62 -2.37 117.98 114.89 1xpn s PHE 119 Ca 0.02 -0.33 -0.01 0.00 -1.04 0.00 0.00 56.93 55.58 1xpn s PHE 119 Cb -0.02 -0.91 0.03 0.00 -1.21 0.00 0.00 43.02 40.90 1xpn s PHE 119 CO -0.00 -0.09 -0.03 0.34 -1.34 0.00 0.00 175.22 174.10 1xpn s ASP 120 N -0.08 1.60 -0.02 1.98 2.15 -1.26 -1.70 116.67 119.34 1xpn s ASP 120 Ca 0.00 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1xpn s ASP 120 Cb -0.08 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1xpn s ASP 120 CO 0.01 -0.15 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.42 1xpn s PHE 121 N 1.70 0.76 0.36 -5.34 0.08 -0.81 -4.99 117.98 109.74 1xpn s PHE 121 Ca 0.02 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.92 1xpn s PHE 121 Cb -0.13 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1xpn s PHE 121 CO -0.05 -0.07 0.09 -0.40 -0.10 0.00 0.00 175.22 174.69 1xpn n ASP 122 N 3.24 1.70 -1.64 1.36 5.75 -1.26 0.09 116.55 125.78 1xpn n ASP 122 Ca -0.17 -2.82 -0.16 0.00 -0.01 0.00 0.00 54.79 51.63 1xpn n ASP 122 Cb 0.55 0.71 -0.02 0.00 -1.03 0.00 0.00 41.12 41.33 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 -0.84 -0.56 -3.30 2.11 8.25 -1.23 -4.97 115.22 114.68 1xpn n HIS 123 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 1xpn n HIS 123 Cb 0.52 -3.11 -0.08 0.00 1.12 0.00 0.00 29.99 28.44 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xpn s ILE 124 N -2.73 5.12 0.96 1.59 -1.09 -1.10 -3.34 121.20 120.61 1xpn s ILE 124 Ca 0.00 0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 59.10 1xpn s ILE 124 Cb 0.00 -3.78 0.16 0.00 -1.58 0.00 0.00 42.46 37.26 1xpn s ILE 124 CO 0.00 0.15 1.09 -2.84 -1.23 0.00 0.00 174.94 172.11 1xpn s PRO 125 N 1.90 0.76 -0.34 2.79 0.02 -1.26 -0.45 135.00 138.42 1xpn s PRO 125 Ca 0.20 0.85 -0.14 0.00 0.02 0.00 0.00 61.00 61.92 1xpn s PRO 125 Cb -0.15 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 1xpn s PRO 125 CO 0.09 -2.59 0.32 -0.80 -0.33 0.00 0.00 177.00 173.70 1xpn s ASN 126 N -3.21 6.14 0.00 2.53 0.01 -1.26 -4.82 114.94 114.33 1xpn s ASN 126 Ca 0.65 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 1xpn s ASN 126 Cb -0.20 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1xpn s ASN 126 CO 0.58 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.47 1xpn n GLY 127 N 5.01 -1.11 3.73 0.66 0.00 -0.12 -4.97 105.19 108.39 1xpn n GLY 127 Ca -0.10 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1xpn n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 128 N -3.00 5.33 0.12 2.61 -4.23 -1.26 -0.66 115.64 114.55 1xpn s THR 128 Ca 0.00 0.47 0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1xpn s THR 128 Cb 0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1xpn s THR 128 CO 0.00 0.41 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.04 1xpn s TYR 129 N 0.41 1.36 -0.28 3.99 2.02 0.62 -0.86 117.35 124.62 1xpn s TYR 129 Ca 0.15 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1xpn s TYR 129 Cb -0.13 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1xpn s TYR 129 CO 0.03 0.13 0.11 0.71 -1.57 0.00 0.00 175.55 174.95 1xpn s TYR 130 N -2.15 3.13 -0.50 2.71 2.02 0.14 -0.99 117.35 121.71 1xpn s TYR 130 Ca 0.08 -0.49 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1xpn s TYR 130 Cb -0.05 -2.29 0.06 0.00 -0.40 0.00 0.00 41.96 39.29 1xpn s TYR 130 CO 0.03 -0.40 0.59 0.42 -1.57 0.00 0.00 175.55 174.62 1xpn s ILE 131 N 1.61 4.93 -0.11 2.71 1.01 0.12 -1.73 121.20 129.74 1xpn s ILE 131 Ca 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1xpn s ILE 131 Cb -0.16 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1xpn s ILE 131 CO 0.05 -0.77 -0.05 -0.55 0.00 0.00 0.00 174.94 173.62 1xpn s SER 132 N 2.67 4.77 -0.11 3.58 0.15 -0.19 -0.81 113.70 123.76 1xpn s SER 132 Ca 0.14 -0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.67 1xpn s SER 132 Cb -0.20 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.66 1xpn s SER 132 CO 0.11 0.27 0.27 -0.44 1.20 0.00 0.00 173.24 174.65 1xpn s SER 133 N -0.27 -0.24 -0.87 5.45 0.01 0.35 0.22 113.70 118.34 1xpn s SER 133 Ca 0.04 0.57 -0.19 0.00 1.31 0.00 0.00 55.95 57.69 1xpn s SER 133 Cb -0.13 0.48 0.13 0.00 0.21 0.00 0.00 66.02 66.71 1xpn s SER 133 CO 0.02 -0.18 1.07 -1.61 0.41 0.00 0.00 173.24 172.96 1xpn s GLU 134 N 1.38 3.51 -0.34 12.44 8.01 -1.25 -0.68 118.70 141.78 1xpn s GLU 134 Ca -0.08 -1.65 -0.06 0.00 0.01 0.00 0.00 54.97 53.18 1xpn s GLU 134 Cb -0.10 -4.77 0.04 0.00 -4.31 0.00 0.00 34.13 24.98 1xpn s GLU 134 CO -0.09 -1.74 0.10 -1.17 0.01 0.00 0.00 175.26 172.36 1xpn s LEU 135 N 2.75 4.30 -0.04 1.80 2.96 -0.32 -4.65 118.68 125.47 1xpn s LEU 135 Ca 0.30 -1.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.05 1xpn s LEU 135 Cb -0.08 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1xpn s LEU 135 CO -0.06 -0.32 -0.05 0.42 -1.32 0.00 0.00 176.35 175.02 1xpn s THR 136 N 1.39 0.53 -0.00 3.68 -4.23 -1.26 -0.59 115.64 115.15 1xpn s THR 136 Ca -0.02 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1xpn s THR 136 Cb -0.20 -0.56 -0.00 0.00 1.34 0.00 0.00 72.50 73.08 1xpn s THR 136 CO 0.02 0.22 -0.05 -1.66 -0.54 0.00 0.00 174.62 172.62 1xpn s TRP 137 N 0.88 0.45 -0.21 3.99 -2.14 0.36 -4.98 118.94 117.28 1xpn s TRP 137 Ca -0.12 -0.10 -0.22 0.00 2.66 0.00 0.00 56.10 58.32 1xpn s TRP 137 Cb -0.14 -0.29 -0.02 0.00 -3.10 0.00 0.00 33.47 29.92 1xpn s TRP 137 CO 0.00 -0.01 0.68 -1.54 -2.66 0.00 0.00 176.95 173.42 1xpn s SER 138 N -0.19 6.71 -0.12 -2.66 1.04 -1.26 -0.38 113.70 116.84 1xpn s SER 138 Ca 0.01 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1xpn s SER 138 Cb -0.02 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1xpn s SER 138 CO -0.00 -0.34 -0.22 0.00 0.98 0.00 0.00 173.24 173.66 1xpn s ALA 139 N 2.19 2.26 -0.55 5.32 0.00 -0.17 -4.94 121.76 125.87 1xpn s ALA 139 Ca 0.30 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 1xpn s ALA 139 Cb -0.16 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.08 1xpn s ALA 139 CO 0.10 0.20 1.09 1.14 0.00 0.00 0.00 175.76 178.28 1xpn s GLN 140 N 0.47 3.47 -0.26 0.00 -2.07 -1.26 -0.28 119.66 119.73 1xpn s GLN 140 Ca -0.15 0.10 -0.04 0.00 -1.82 0.00 0.00 55.36 53.46 1xpn s GLN 140 Cb -0.17 -4.01 0.02 0.00 -1.09 0.00 0.00 33.01 27.75 1xpn s GLN 140 CO 0.06 -1.56 -0.01 -1.54 -1.32 0.00 0.00 175.29 170.92 1xpn s SER 141 N 2.82 4.61 -1.76 12.60 1.04 0.13 -4.51 113.70 128.63 1xpn s SER 141 Ca 0.39 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1xpn s SER 141 Cb -0.09 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1xpn s SER 141 CO 0.24 -0.14 0.00 -0.67 0.98 0.00 0.00 173.24 173.65 1xpn n ASP 142 N 4.76 -5.36 0.00 7.02 2.03 -1.26 -0.74 116.55 122.99 1xpn n ASP 142 Ca -0.16 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1xpn n ASP 142 Cb 0.48 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.42 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 -0.88 3.26 3.60 0.27 0.00 -1.26 -5.02 105.19 105.15 1xpn n GLY 143 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1xpn n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xpn s LYS 144 N -0.57 3.93 -0.32 1.61 2.20 0.08 -4.98 119.74 121.70 1xpn s LYS 144 Ca 0.00 0.03 -0.26 0.00 -0.36 0.00 0.00 55.97 55.38 1xpn s LYS 144 Cb 0.00 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1xpn s LYS 144 CO 0.00 -0.37 0.93 0.99 -0.36 0.00 0.00 175.35 176.54 1xpn s THR 145 N 2.16 4.65 0.13 3.43 2.01 -1.26 0.18 115.64 126.95 1xpn s THR 145 Ca 0.17 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.65 1xpn s THR 145 Cb -0.16 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1xpn s THR 145 CO 0.10 -0.37 0.07 0.27 -0.69 0.00 0.00 174.62 174.00 1xpn s ILE 146 N 3.30 4.25 -0.85 1.82 -4.36 0.61 -4.89 121.20 121.09 1xpn s ILE 146 Ca 0.39 -1.07 -0.21 0.00 -0.26 0.00 0.00 60.65 59.50 1xpn s ILE 146 Cb -0.13 -3.11 0.09 0.00 1.25 0.00 0.00 42.46 40.56 1xpn s ILE 146 CO 0.14 -0.02 1.13 -0.89 0.24 0.00 0.00 174.94 175.54 1xpn s THR 147 N -1.59 4.43 -0.14 8.37 2.01 -1.26 -1.00 115.64 126.46 1xpn s THR 147 Ca 0.29 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1xpn s THR 147 Cb -0.11 -4.80 -0.02 0.00 0.01 0.00 0.00 72.50 67.59 1xpn s THR 147 CO 0.21 -1.57 1.26 -1.61 -0.69 0.00 0.00 174.62 172.22 1xpn s GLU 148 N 3.60 4.25 0.00 4.92 0.41 0.49 -4.62 118.70 127.76 1xpn s GLU 148 Ca 0.31 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.54 1xpn s GLU 148 Cb -0.08 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 1xpn s GLU 148 CO -0.02 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.49 1xpn n GLY 149 N 3.58 0.38 0.00 -1.39 0.00 -1.26 -0.49 105.19 106.01 1xpn n GLY 149 Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1xpn n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 150 N 0.00 0.18 3.43 -0.02 0.00 0.24 -1.76 105.19 107.27 1xpn n GLY 150 Ca 0.00 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.12 4.69 -0.08 2.61 2.01 -0.20 -1.17 115.64 120.38 1xpn s THR 151 Ca 0.00 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 1xpn s THR 151 Cb 0.00 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 1xpn s THR 151 CO 0.00 -1.08 0.54 0.54 -0.69 0.00 0.00 174.62 173.93 1xpn s VAL 152 N 3.08 5.09 -0.22 3.82 0.11 0.14 -0.69 120.40 131.73 1xpn s VAL 152 Ca 0.17 1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 60.32 1xpn s VAL 152 Cb -0.20 -3.88 0.06 0.00 -1.53 0.00 0.00 36.38 30.84 1xpn s VAL 152 CO 0.10 0.35 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.31 1xpn s THR 153 N 0.38 1.17 -0.11 5.04 2.01 -1.25 -0.50 115.64 122.37 1xpn s THR 153 Ca 0.29 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1xpn s THR 153 Cb -0.16 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1xpn s THR 153 CO 0.13 -0.16 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.09 1xpn s LYS 154 N 1.56 3.24 -0.22 4.92 2.20 0.01 -4.29 119.74 127.16 1xpn s LYS 154 Ca -0.04 -0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.78 1xpn s LYS 154 Cb -0.18 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 1xpn s LYS 154 CO -0.07 0.43 0.82 -1.17 -0.36 0.00 0.00 175.35 175.00 1xpn s LEU 155 N -0.17 4.11 -0.04 5.43 2.96 -1.26 -0.70 118.68 129.01 1xpn s LEU 155 Ca 0.02 1.08 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1xpn s LEU 155 Cb -0.13 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1xpn s LEU 155 CO 0.03 -0.47 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.69 1xpn s VAL 156 N 2.57 1.69 -0.31 1.68 1.01 -0.16 -4.99 120.40 121.89 1xpn s VAL 156 Ca 0.36 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1xpn s VAL 156 Cb -0.16 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1xpn s VAL 156 CO 0.09 0.48 0.05 0.28 0.00 0.00 0.00 175.10 176.00 1xpn s THR 157 N -0.16 3.42 -0.47 3.92 -1.32 -1.26 -0.27 115.64 119.50 1xpn s THR 157 Ca -0.01 -1.19 -0.22 0.00 -1.21 0.00 0.00 61.69 59.06 1xpn s THR 157 Cb -0.11 -2.92 0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1xpn s THR 157 CO 0.02 -0.11 0.76 -0.69 -2.21 0.00 0.00 174.62 172.40 1xpn s VAL 158 N 1.35 4.67 -0.19 5.08 1.01 0.17 -4.87 120.40 127.61 1xpn s VAL 158 Ca -0.03 0.26 0.20 0.00 0.00 0.00 0.00 61.98 62.41 1xpn s VAL 158 Cb -0.19 -4.33 0.47 0.00 0.00 0.00 0.00 36.38 32.33 1xpn s VAL 158 CO 0.01 -0.76 1.15 -1.20 0.00 0.00 0.00 175.10 174.30 1xpn n SER 159 N 6.69 2.00 -3.62 3.32 7.64 -1.26 -0.95 113.62 127.44 1xpn n SER 159 Ca 0.01 -2.49 -0.16 0.00 1.01 0.00 0.00 58.87 57.23 1xpn n SER 159 Cb 0.48 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 160 N -3.23 -0.42 -0.15 0.23 0.00 -1.26 -5.02 107.32 97.47 1xpn s GLY 160 Ca 0.34 1.04 0.16 0.00 0.00 0.00 0.00 44.72 46.25 1xpn s GLY 160 CO -0.06 0.74 1.61 -1.14 0.00 0.00 0.00 173.10 174.25 1xpn n SER 161 N 1.25 4.83 -4.45 1.64 3.41 -1.26 -4.00 113.62 115.04 1xpn n SER 161 Ca -0.19 -2.57 -0.22 0.00 -0.26 0.00 0.00 58.87 55.63 1xpn n SER 161 Cb 0.57 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.10 1.60 -0.46 4.33 -0.21 -1.26 -4.62 119.66 116.93 1xpn s GLN 162 Ca 0.49 -1.79 -0.40 0.00 0.02 0.00 0.00 55.36 53.68 1xpn s GLN 162 Cb 0.34 -1.38 -0.16 0.00 1.00 0.00 0.00 33.01 32.81 1xpn s GLN 162 CO 0.21 0.13 2.18 -2.30 -2.12 0.00 0.00 175.29 173.39 1xpn n PRO 163 N -0.61 0.40 -3.29 2.91 -0.02 -1.26 -4.10 135.00 129.03 1xpn n PRO 163 Ca -0.06 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1xpn n PRO 163 Cb 0.62 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 1xpn n PRO 163 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1xpn s GLN 164 N 6.19 3.40 -0.63 -0.52 2.00 0.10 -4.95 119.66 125.26 1xpn s GLN 164 Ca 1.17 -0.43 -0.28 0.00 -2.00 0.00 0.00 55.36 53.81 1xpn s GLN 164 Cb -1.25 -3.87 0.03 0.00 0.80 0.00 0.00 33.01 28.71 1xpn s GLN 164 CO 0.59 -0.73 1.29 0.21 -0.50 0.00 0.00 175.29 176.15 1xpn s LYS 165 N 2.28 3.34 -0.21 1.67 2.47 -1.26 -1.37 119.74 126.65 1xpn s LYS 165 Ca 0.15 0.14 -0.02 0.00 -1.56 0.00 0.00 55.97 54.69 1xpn s LYS 165 Cb -0.16 -4.10 0.01 0.00 -1.46 0.00 0.00 37.83 32.12 1xpn s LYS 165 CO 0.14 -1.92 -0.10 0.08 0.16 0.00 0.00 175.35 173.71 1xpn s VAL 166 N 5.56 2.84 -0.46 4.02 1.01 -0.15 -5.01 120.40 128.20 1xpn s VAL 166 Ca 0.43 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1xpn s VAL 166 Cb -0.08 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1xpn s VAL 166 CO 0.22 0.41 0.65 -0.76 0.00 0.00 0.00 175.10 175.63 1xpn s LEU 167 N 1.39 4.58 -0.83 3.92 1.43 -1.26 -1.15 118.68 126.75 1xpn s LEU 167 Ca 0.04 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1xpn s LEU 167 Cb -0.14 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.45 1xpn s LEU 167 CO -0.07 -0.83 1.32 -0.22 0.23 0.00 0.00 176.35 176.78 1xpn s LEU 168 N 2.84 3.36 -0.14 1.79 2.96 0.31 -4.91 118.68 124.89 1xpn s LEU 168 Ca 0.21 -0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 53.00 1xpn s LEU 168 Cb -0.15 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 44.06 1xpn s LEU 168 CO 0.17 -1.70 0.72 0.28 -1.32 0.00 0.00 176.35 174.51 1xpn s THR 169 N 5.35 0.00 0.00 3.68 -1.32 -1.26 -2.48 115.64 119.61 1xpn s THR 169 Ca 0.38 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1xpn s THR 169 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1xpn s THR 169 CO 0.06 0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.33