#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 0.00 -3.53 1.61 0.02 -2.12 -3.45 113.55 106.08 1xpn h SER 2 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1xpn h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1xpn h SER 2 CO 0.00 0.57 -0.64 -0.44 -1.14 0.00 0.00 176.83 175.18 1xpn s SER 3 N -6.79 2.14 -0.66 3.07 0.01 -1.26 -5.10 113.70 105.12 1xpn s SER 3 Ca -0.01 -1.28 -0.21 0.00 1.31 0.00 0.00 55.95 55.76 1xpn s SER 3 Cb 0.12 -0.05 0.09 0.00 0.21 0.00 0.00 66.02 66.39 1xpn s SER 3 CO 0.75 -0.53 0.90 -1.00 0.41 0.00 0.00 173.24 173.77 1xpn s HIS 4 N -3.32 2.80 -0.64 2.43 4.02 -1.26 -4.88 115.29 114.44 1xpn s HIS 4 Ca 0.32 -0.74 -0.02 0.00 1.02 0.00 0.00 55.06 55.64 1xpn s HIS 4 Cb 0.06 -4.21 0.39 0.00 -1.02 0.00 0.00 32.58 27.81 1xpn s HIS 4 CO 0.12 -1.53 2.06 1.58 1.02 0.00 0.00 174.74 177.99 1xpn n HIS 5 N 7.20 2.93 -0.03 1.40 -0.00 -1.26 -4.58 115.22 120.89 1xpn n HIS 5 Ca -0.04 -2.76 -0.06 0.00 0.46 0.00 0.00 57.72 55.32 1xpn n HIS 5 Cb 0.45 -1.35 0.13 0.00 -0.12 0.00 0.00 29.99 29.09 1xpn n HIS 5 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xpn h HIS 6 N 2.11 0.70 0.00 1.57 -0.00 -2.06 -3.43 115.15 114.03 1xpn h HIS 6 Ca 0.56 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.76 1xpn h HIS 6 Cb 0.70 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1xpn h HIS 6 CO 1.32 0.84 0.00 1.58 -0.00 0.00 0.00 177.93 181.67 1xpn n HIS 7 N -4.08 -2.42 -3.57 5.26 -0.00 -1.26 -5.16 115.22 103.99 1xpn n HIS 7 Ca -0.01 0.49 -0.06 0.00 -0.00 0.00 0.00 57.72 58.15 1xpn n HIS 7 Cb 0.46 1.39 -0.02 0.00 -0.00 0.00 0.00 29.99 31.81 1xpn n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1xpn s HIS 8 N -2.00 -0.19 -1.42 1.57 5.04 -1.26 -5.03 115.29 111.99 1xpn s HIS 8 Ca 0.00 0.12 -0.15 0.00 -1.54 0.00 0.00 55.06 53.49 1xpn s HIS 8 Cb 0.00 0.52 0.04 0.00 0.04 0.00 0.00 32.58 33.18 1xpn s HIS 8 CO 0.00 -0.30 2.16 1.58 -2.34 0.00 0.00 174.74 175.85 1xpn n HIS 9 N -0.12 3.62 -0.08 3.88 -0.00 -1.26 -4.70 115.22 116.55 1xpn n HIS 9 Ca -0.02 -2.93 -0.13 0.00 -0.00 0.00 0.00 57.72 54.64 1xpn n HIS 9 Cb 0.59 -2.55 -0.05 0.00 -0.00 0.00 0.00 29.99 27.99 1xpn n HIS 9 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1xpn h SER 10 N 6.24 0.63 -3.57 0.26 0.02 -1.96 -3.40 113.55 111.77 1xpn h SER 10 Ca 0.55 -0.46 -0.62 0.00 -0.84 0.00 0.00 61.79 60.42 1xpn h SER 10 Cb 0.67 -0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.91 1xpn h SER 10 CO 1.84 0.95 0.39 -0.44 -1.14 0.00 0.00 176.83 178.44 1xpn s SER 11 N -6.38 6.41 0.00 3.07 0.01 -1.26 -4.56 113.70 110.98 1xpn s SER 11 Ca -0.13 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1xpn s SER 11 Cb 0.08 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1xpn s SER 11 CO 0.80 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1xpn n GLY 12 N 5.00 -0.18 3.82 3.44 0.00 -1.26 -5.15 105.19 110.86 1xpn n GLY 12 Ca 0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 4.29 0.04 0.99 1.02 -1.26 -5.06 118.68 118.71 1xpn s LEU 13 Ca 0.00 1.41 -0.21 0.00 0.02 0.00 0.00 54.13 55.35 1xpn s LEU 13 Cb 0.00 -3.68 -0.06 0.00 0.02 0.00 0.00 46.19 42.47 1xpn s LEU 13 CO 0.00 -0.01 0.62 0.68 0.02 0.00 0.00 176.35 177.66 1xpn s VAL 14 N -1.60 4.78 0.77 -1.59 -7.23 -1.26 -5.08 120.40 109.18 1xpn s VAL 14 Ca 0.45 1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 61.90 1xpn s VAL 14 Cb -0.16 -3.95 0.14 0.00 0.56 0.00 0.00 36.38 32.97 1xpn s VAL 14 CO 0.20 0.47 1.06 -2.16 -0.31 0.00 0.00 175.10 174.37 1xpn s PRO 15 N -0.61 1.47 -0.04 4.82 0.04 -1.26 -5.03 135.00 134.38 1xpn s PRO 15 Ca 0.31 -1.00 -0.06 0.00 0.04 0.00 0.00 61.00 60.30 1xpn s PRO 15 Cb -0.19 -2.24 -0.29 0.00 0.04 0.00 0.00 34.50 31.82 1xpn s PRO 15 CO 0.19 -1.64 0.69 0.00 0.04 0.00 0.00 177.00 176.28 1xpn h ARG 16 N -0.74 0.30 0.00 4.56 3.08 -2.07 -3.48 114.38 116.03 1xpn h ARG 16 Ca -0.38 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.16 1xpn h ARG 16 Cb 1.26 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1xpn h ARG 16 CO 0.39 1.18 0.00 0.41 -1.07 0.00 0.00 179.97 180.89 1xpn n GLY 17 N 1.79 2.22 3.62 0.04 0.00 -1.26 -4.88 105.19 106.73 1xpn n GLY 17 Ca -0.22 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1xpn n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpn s SER 18 N -3.80 5.87 -0.08 1.61 0.15 -1.26 -4.92 113.70 111.27 1xpn s SER 18 Ca 0.00 2.20 -0.30 0.00 0.70 0.00 0.00 55.95 58.55 1xpn s SER 18 Cb 0.00 -2.52 0.11 0.00 -1.71 0.00 0.00 66.02 61.90 1xpn s SER 18 CO 0.00 -1.59 0.91 -1.38 1.20 0.00 0.00 173.24 172.39 1xpn s HIS 19 N 6.72 -0.39 0.48 3.44 -0.00 -1.26 -5.19 115.29 119.09 1xpn s HIS 19 Ca 0.95 0.51 0.02 0.00 -0.00 0.00 0.00 55.06 56.54 1xpn s HIS 19 Cb -0.37 0.48 -0.02 0.00 -0.00 0.00 0.00 32.58 32.68 1xpn s HIS 19 CO 0.38 -0.46 0.04 0.00 -0.00 0.00 0.00 174.74 174.69 1xpn s MET 20 N -1.99 2.13 -0.46 -0.38 0.23 -1.26 -5.06 119.30 112.50 1xpn s MET 20 Ca 0.00 -2.35 -0.28 0.00 -1.03 0.00 0.00 55.69 52.04 1xpn s MET 20 Cb -0.01 -1.28 -0.02 0.00 -1.53 0.00 0.00 34.83 31.99 1xpn s MET 20 CO -0.02 -0.40 1.82 0.00 -2.03 0.00 0.00 175.02 174.39 1xpn s ALA 21 N -2.96 2.54 -0.87 3.16 0.00 -1.26 -4.82 121.76 117.54 1xpn s ALA 21 Ca 0.10 -0.18 0.18 0.00 0.00 0.00 0.00 51.96 52.06 1xpn s ALA 21 Cb 0.02 -4.15 0.75 0.00 0.00 0.00 0.00 23.12 19.74 1xpn s ALA 21 CO 0.06 -3.23 1.56 0.43 0.00 0.00 0.00 175.76 174.58 1xpn n SER 22 N 11.43 0.17 -4.04 0.00 7.64 -1.26 -4.19 113.62 123.38 1xpn n SER 22 Ca 0.22 0.54 -0.32 0.00 1.01 0.00 0.00 58.87 60.32 1xpn n SER 22 Cb 0.49 -0.58 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.32 4.79 0.00 6.43 2.47 -1.26 -4.94 114.94 119.10 1xpn s ASN 23 Ca 0.07 -2.02 0.27 0.00 0.42 0.00 0.00 52.86 51.60 1xpn s ASN 23 Cb 0.10 -1.64 1.33 0.00 -1.45 0.00 0.00 41.25 39.58 1xpn s ASN 23 CO 0.32 -0.37 1.92 -0.81 -3.72 0.00 0.00 177.10 174.44 1xpn n PRO 24 N 4.32 0.29 -3.43 0.43 -0.04 -1.26 -4.81 135.00 130.51 1xpn n PRO 24 Ca 0.01 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 1xpn n PRO 24 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1xpn n PRO 24 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xpn s ASN 25 N -2.68 6.23 0.00 3.54 2.47 -1.26 -5.10 114.94 118.14 1xpn s ASN 25 Ca 0.23 0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.85 1xpn s ASN 25 Cb 0.18 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 1xpn s ASN 25 CO 0.44 -0.31 0.00 0.47 -3.72 0.00 0.00 177.10 173.97 1xpn n ASP 26 N -1.76 0.00 -1.19 -4.21 8.00 -1.26 -5.11 116.55 111.02 1xpn n ASP 26 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1xpn n ASP 26 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1xpn n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xpn n LEU 27 N 0.00 -4.11 -4.73 0.64 4.77 -1.26 -4.98 117.00 107.32 1xpn n LEU 27 Ca 0.00 1.65 -0.35 0.00 -0.03 0.00 0.00 56.01 57.28 1xpn n LEU 27 Cb 0.00 -1.81 0.07 0.00 -2.33 0.00 0.00 43.42 39.35 1xpn n LEU 27 CO 0.00 -0.73 0.84 -2.84 -1.33 0.00 0.00 177.39 173.33 1xpn s PRO 28 N -2.16 2.41 -0.22 3.23 0.02 -1.26 -4.98 135.00 132.05 1xpn s PRO 28 Ca 0.00 1.86 0.07 0.00 0.02 0.00 0.00 61.00 62.95 1xpn s PRO 28 Cb 0.00 -1.85 -0.18 0.00 0.02 0.00 0.00 34.50 32.49 1xpn s PRO 28 CO 0.00 -1.65 -0.12 -3.47 -0.33 0.00 0.00 177.00 171.43 1xpn n ASP 29 N -2.27 1.59 0.03 2.53 2.03 -1.26 -4.69 116.55 114.51 1xpn n ASP 29 Ca 0.14 -0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.25 1xpn n ASP 29 Cb 0.49 0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 1xpn n ASP 29 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1xpn h PHE 30 N 0.00 -0.15 0.00 -0.67 0.04 -2.00 -3.34 116.94 110.82 1xpn h PHE 30 Ca -0.52 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.25 1xpn h PHE 30 Cb 1.92 0.05 0.00 0.00 2.20 0.00 0.00 35.95 40.12 1xpn h PHE 30 CO 0.02 0.34 0.00 -2.30 -0.60 0.00 0.00 178.31 175.76 1xpn n PRO 31 N -4.89 0.67 0.14 1.51 -0.02 -1.26 -3.69 135.00 127.46 1xpn n PRO 31 Ca -0.08 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.41 1xpn n PRO 31 Cb 0.28 -1.18 0.12 0.00 -0.02 0.00 0.00 33.50 32.69 1xpn n PRO 31 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpn h GLU 32 N 0.64 0.00 0.00 -0.52 4.81 -1.86 -3.17 114.58 114.47 1xpn h GLU 32 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xpn h GLU 32 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1xpn h GLU 32 CO 0.00 0.57 0.00 1.58 -0.73 0.00 0.00 179.01 180.43 1xpn n HIS 33 N -3.41 0.00 0.38 0.92 -0.00 -1.24 -3.29 115.22 108.58 1xpn n HIS 33 Ca 0.01 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.29 1xpn n HIS 33 Cb 0.69 -0.43 0.45 0.00 -0.12 0.00 0.00 29.99 30.57 1xpn n HIS 33 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xpn n GLU 34 N -1.43 0.14 0.29 1.57 1.02 -1.20 -1.24 120.64 119.79 1xpn n GLU 34 Ca 0.08 0.41 0.17 0.00 -0.02 0.00 0.00 57.16 57.80 1xpn n GLU 34 Cb 0.25 -1.79 0.83 0.00 -0.02 0.00 0.00 31.44 30.71 1xpn n GLU 34 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1xpn h TYR 35 N 0.00 0.00 -0.51 -0.32 0.05 -1.81 -2.61 116.97 111.77 1xpn h TYR 35 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xpn h TYR 35 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1xpn h TYR 35 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.15 1xpn n ALA 36 N -2.14 2.89 -0.25 3.88 0.00 -0.37 -4.03 120.51 120.49 1xpn n ALA 36 Ca -0.01 -1.18 0.06 0.00 0.00 0.00 0.00 53.44 52.31 1xpn n ALA 36 Cb 0.24 -1.01 0.29 0.00 0.00 0.00 0.00 19.45 18.96 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 0.86 3.23 -1.78 0.00 0.00 -0.98 -4.95 120.51 116.89 1xpn n ALA 37 Ca 0.20 -1.32 -0.36 0.00 0.00 0.00 0.00 53.44 51.95 1xpn n ALA 37 Cb 0.68 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.03 4.04 0.13 0.00 -4.23 -1.26 -5.07 115.64 107.23 1xpn s THR 38 Ca 0.40 1.61 0.06 0.00 -1.18 0.00 0.00 61.69 62.58 1xpn s THR 38 Cb 0.28 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1xpn s THR 38 CO 0.16 0.05 -0.14 -1.10 -0.54 0.00 0.00 174.62 173.06 1xpn s GLN 39 N -2.31 1.04 0.08 3.99 -1.52 -1.26 -5.04 119.66 114.64 1xpn s GLN 39 Ca 0.54 -1.27 0.06 0.00 -1.95 0.00 0.00 55.36 52.74 1xpn s GLN 39 Cb -0.19 -0.88 -0.23 0.00 -0.22 0.00 0.00 33.01 31.49 1xpn s GLN 39 CO 0.24 0.16 1.13 0.37 -0.25 0.00 0.00 175.29 176.94 1xpn h GLN 40 N 3.41 0.04 -6.07 2.91 5.75 -2.02 -3.44 115.11 115.68 1xpn h GLN 40 Ca -0.39 -0.07 -0.58 0.00 -0.15 0.00 0.00 58.65 57.45 1xpn h GLN 40 Cb 1.20 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.70 1xpn h GLN 40 CO 0.52 0.94 0.69 0.08 -2.65 0.00 0.00 178.83 178.41 1xpn s VAL 41 N -2.68 4.65 0.00 2.39 1.01 -1.26 -4.93 120.40 119.58 1xpn s VAL 41 Ca -0.01 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1xpn s VAL 41 Cb 0.09 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1xpn s VAL 41 CO 0.83 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1xpn n GLY 42 N 3.82 -0.07 0.37 4.51 0.00 -1.26 -4.44 105.19 108.12 1xpn n GLY 42 Ca 0.09 0.76 0.12 0.00 0.00 0.00 0.00 46.02 47.00 1xpn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 43 N 0.00 -0.30 3.68 -0.02 0.00 -1.21 -1.67 105.19 105.67 1xpn n GLY 43 Ca 0.00 -0.51 -0.49 0.00 0.00 0.00 0.00 46.02 45.02 1xpn n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 44 N 1.37 1.33 3.46 -0.02 0.00 -0.63 -4.07 105.19 106.62 1xpn n GLY 44 Ca 0.11 0.83 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 1xpn n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xpn s VAL 45 N 3.40 3.78 -0.20 1.61 1.01 -0.83 -0.68 120.40 128.49 1xpn s VAL 45 Ca 0.91 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1xpn s VAL 45 Cb -0.73 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1xpn s VAL 45 CO 0.50 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 175.42 1xpn s ILE 46 N 0.61 3.69 -0.20 2.22 1.01 0.50 -0.22 121.20 128.82 1xpn s ILE 46 Ca -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1xpn s ILE 46 Cb -0.14 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.73 1xpn s ILE 46 CO 0.02 0.44 0.05 0.21 0.00 0.00 0.00 174.94 175.66 1xpn s ASN 47 N 1.08 2.87 0.27 3.58 3.84 -0.17 0.24 114.94 126.65 1xpn s ASN 47 Ca 0.02 -0.82 -0.12 0.00 0.21 0.00 0.00 52.86 52.15 1xpn s ASN 47 Cb -0.15 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.01 1xpn s ASN 47 CO 0.01 -0.32 0.50 -0.83 -2.79 0.00 0.00 177.10 173.67 1xpn s GLY 48 N 1.90 0.66 0.03 1.21 0.00 -0.36 -1.90 107.32 108.86 1xpn s GLY 48 Ca -0.00 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1xpn s GLY 48 CO -0.09 -0.66 -0.06 0.99 0.00 0.00 0.00 173.10 173.29 1xpn s ASP 49 N -3.05 4.70 -0.24 1.64 1.11 -0.64 -0.44 116.67 119.75 1xpn s ASP 49 Ca 0.23 -0.17 -0.07 0.00 0.18 0.00 0.00 52.55 52.72 1xpn s ASP 49 Cb -0.01 -1.09 -0.03 0.00 1.07 0.00 0.00 42.92 42.86 1xpn s ASP 49 CO 0.11 0.25 0.06 -0.22 1.18 0.00 0.00 175.17 176.55 1xpn s LEU 50 N -1.68 3.48 -0.25 1.23 2.96 0.57 0.01 118.68 124.99 1xpn s LEU 50 Ca 0.19 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 1xpn s LEU 50 Cb -0.11 -1.92 0.07 0.00 0.50 0.00 0.00 46.19 44.73 1xpn s LEU 50 CO 0.10 0.00 0.64 -0.72 -1.32 0.00 0.00 176.35 175.06 1xpn s TYR 51 N 1.38 -0.88 0.29 5.38 1.13 -1.06 -4.25 117.35 119.35 1xpn s TYR 51 Ca 0.05 1.88 0.10 0.00 -1.41 0.00 0.00 57.07 57.69 1xpn s TYR 51 Cb -0.15 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.10 1xpn s TYR 51 CO 0.03 -0.44 -0.14 -0.51 -2.51 0.00 0.00 175.55 171.99 1xpn s LEU 52 N 1.12 2.61 -0.22 -3.49 1.43 -0.18 -4.30 118.68 115.65 1xpn s LEU 52 Ca -0.06 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 51.78 1xpn s LEU 52 Cb -0.05 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1xpn s LEU 52 CO -0.11 -0.12 0.38 0.42 0.23 0.00 0.00 176.35 177.14 1xpn s THR 53 N -2.69 5.20 0.72 5.49 -4.23 -1.26 -0.41 115.64 118.46 1xpn s THR 53 Ca 0.29 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.33 1xpn s THR 53 Cb -0.01 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1xpn s THR 53 CO 0.14 0.23 1.07 -0.44 -0.54 0.00 0.00 174.62 175.08 1xpn s SER 54 N 1.21 5.22 0.50 3.99 0.01 0.42 -4.88 113.70 120.17 1xpn s SER 54 Ca 0.17 1.40 0.18 0.00 1.31 0.00 0.00 55.95 59.01 1xpn s SER 54 Cb -0.15 -2.24 1.25 0.00 0.21 0.00 0.00 66.02 65.09 1xpn s SER 54 CO 0.08 -1.52 2.08 0.00 0.41 0.00 0.00 173.24 174.29 1xpn h ALA 55 N -0.77 2.12 0.00 1.44 0.00 -1.98 0.26 119.26 120.33 1xpn h ALA 55 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xpn h ALA 55 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xpn h ALA 55 CO 0.60 -0.18 0.00 0.43 0.00 0.00 0.00 179.25 180.10 1xpn n SER 56 N -4.48 0.00 -0.03 0.00 7.64 -1.26 -4.86 113.62 110.63 1xpn n SER 56 Ca 0.02 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1xpn n SER 56 Cb 0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 57 N 0.80 0.59 3.88 0.23 0.00 0.91 -5.06 105.19 106.55 1xpn n GLY 57 Ca 0.19 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.07 3.87 -0.54 4.61 0.00 -1.23 -4.84 121.76 121.56 1xpn s ALA 58 Ca 0.00 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1xpn s ALA 58 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1xpn s ALA 58 CO 0.00 0.69 1.01 0.42 0.00 0.00 0.00 175.76 177.88 1xpn s ILE 59 N -1.19 4.30 -0.38 0.00 -1.09 -1.26 -0.43 121.20 121.15 1xpn s ILE 59 Ca 0.22 0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 59.07 1xpn s ILE 59 Cb -0.12 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.19 1xpn s ILE 59 CO 0.12 -1.12 0.28 -1.58 -1.23 0.00 0.00 174.94 171.42 1xpn s GLN 60 N 4.20 3.19 -0.02 2.79 2.00 0.45 -4.92 119.66 127.35 1xpn s GLN 60 Ca 0.36 -0.85 -0.07 0.00 -2.00 0.00 0.00 55.36 52.80 1xpn s GLN 60 Cb -0.10 -3.91 -0.04 0.00 0.80 0.00 0.00 33.01 29.76 1xpn s GLN 60 CO 0.23 -0.63 0.45 0.87 -0.50 0.00 0.00 175.29 175.72 1xpn h LYS 61 N 8.57 -0.23 0.00 1.67 1.79 -1.85 -0.46 116.57 126.07 1xpn h LYS 61 Ca -0.29 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1xpn h LYS 61 Cb 1.14 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1xpn h LYS 61 CO 0.69 -0.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.32 1xpn n GLY 62 N 0.75 1.84 3.46 3.86 0.00 -1.26 -4.21 105.19 109.63 1xpn n GLY 62 Ca -0.03 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1xpn n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 63 N 0.00 2.83 -2.00 2.61 -4.23 -1.26 -4.27 115.64 109.33 1xpn s THR 63 Ca 0.00 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1xpn s THR 63 Cb 0.00 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1xpn s THR 63 CO 0.00 0.42 0.00 -3.20 -0.54 0.00 0.00 174.62 171.30 1xpn n ASN 64 N 1.80 -5.45 -4.75 3.99 4.05 0.45 -4.93 115.26 110.41 1xpn n ASN 64 Ca -0.16 0.36 -0.40 0.00 0.45 0.00 0.00 54.58 54.83 1xpn n ASN 64 Cb 0.52 -4.64 -0.05 0.00 1.23 0.00 0.00 39.78 36.84 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xpn s THR 65 N -2.80 4.75 -0.58 -0.44 2.01 -1.26 -4.74 115.64 112.58 1xpn s THR 65 Ca 0.00 1.59 -0.24 0.00 0.31 0.00 0.00 61.69 63.35 1xpn s THR 65 Cb 0.00 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.46 1xpn s THR 65 CO 0.00 0.37 0.99 -0.75 -0.69 0.00 0.00 174.62 174.54 1xpn s LYS 66 N -0.08 3.31 -0.52 4.92 2.47 -1.26 -1.32 119.74 127.26 1xpn s LYS 66 Ca 0.38 -0.30 -0.25 0.00 -1.56 0.00 0.00 55.97 54.24 1xpn s LYS 66 Cb -0.20 -4.08 0.03 0.00 -1.46 0.00 0.00 37.83 32.12 1xpn s LYS 66 CO 0.22 -1.59 0.94 0.08 0.16 0.00 0.00 175.35 175.17 1xpn s VAL 67 N 4.16 4.41 -0.34 4.02 1.01 0.44 -4.48 120.40 129.62 1xpn s VAL 67 Ca 0.30 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1xpn s VAL 67 Cb -0.12 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1xpn s VAL 67 CO 0.18 -1.01 0.50 0.00 0.00 0.00 0.00 175.10 174.77 1xpn s ALA 68 N 3.90 3.49 -0.47 5.51 0.00 -0.69 -0.38 121.76 133.12 1xpn s ALA 68 Ca 0.33 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 1xpn s ALA 68 Cb -0.11 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1xpn s ALA 68 CO 0.22 -1.15 0.62 -1.17 0.00 0.00 0.00 175.76 174.29 1xpn s LEU 69 N 2.36 4.72 0.03 0.00 2.96 0.83 -1.00 118.68 128.57 1xpn s LEU 69 Ca 0.18 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1xpn s LEU 69 Cb -0.16 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1xpn s LEU 69 CO 0.13 -0.82 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.60 1xpn s GLU 70 N 2.71 2.30 -0.20 1.98 2.02 0.10 -1.68 118.70 125.92 1xpn s GLU 70 Ca 0.18 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 1xpn s GLU 70 Cb -0.16 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 1xpn s GLU 70 CO 0.15 0.57 1.57 -2.14 0.02 0.00 0.00 175.26 175.43 1xpn s PRO 71 N -1.48 3.90 -0.17 0.39 0.02 -1.26 0.23 135.00 136.63 1xpn s PRO 71 Ca 0.16 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 62.65 1xpn s PRO 71 Cb -0.11 -3.99 -0.02 0.00 0.02 0.00 0.00 34.50 30.40 1xpn s PRO 71 CO 0.07 -1.16 0.78 0.00 -0.33 0.00 0.00 177.00 176.35 1xpn s ALA 72 N 4.81 3.51 0.00 -1.55 0.00 -0.46 -4.77 121.76 123.31 1xpn s ALA 72 Ca 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1xpn s ALA 72 Cb -0.25 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1xpn s ALA 72 CO 0.27 -0.60 0.00 -2.37 0.00 0.00 0.00 175.76 173.06 1xpn n THR 73 N 4.68 0.00 0.65 0.00 5.66 -1.26 -4.58 114.28 119.43 1xpn n THR 73 Ca 0.03 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.14 1xpn n THR 73 Cb 0.49 0.00 0.46 0.00 -1.55 0.00 0.00 70.33 69.73 1xpn n THR 73 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1xpn n SER 74 N -1.22 0.29 -4.81 1.09 7.64 -1.26 -4.71 113.62 110.64 1xpn n SER 74 Ca 0.00 0.55 -0.23 0.00 1.01 0.00 0.00 58.87 60.20 1xpn n SER 74 Cb 0.00 -0.62 0.08 0.00 -1.01 0.00 0.00 64.21 62.66 1xpn n SER 74 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xpn s TYR 75 N -3.09 2.23 0.00 1.43 5.04 -1.26 -4.44 117.35 117.27 1xpn s TYR 75 Ca 0.09 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1xpn s TYR 75 Cb 0.13 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1xpn s TYR 75 CO 0.43 -1.36 0.00 -1.33 -1.34 0.00 0.00 175.55 171.95 1xpn n MET 76 N -2.66 -0.34 0.00 4.97 2.81 -1.26 -4.93 117.12 115.70 1xpn n MET 76 Ca 0.11 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1xpn n MET 76 Cb 0.60 -3.42 0.00 0.00 -0.71 0.00 0.00 33.22 29.69 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 -1.83 0.00 0.19 0.03 4.76 -1.26 -1.93 118.16 118.12 1xpn n LYS 77 Ca 0.00 0.66 0.14 0.00 -2.87 0.00 0.00 58.31 56.24 1xpn n LYS 77 Cb 0.09 -1.46 0.72 0.00 -1.84 0.00 0.00 35.03 32.53 1xpn n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xpn h ALA 78 N -1.63 2.05 0.25 7.82 0.00 -1.95 -1.83 119.26 123.97 1xpn h ALA 78 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xpn h ALA 78 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xpn h ALA 78 CO 0.00 -0.23 -0.12 -0.92 0.00 0.00 0.00 179.25 177.98 1xpn h TYR 79 N 0.00 -0.31 0.00 0.00 5.03 -1.88 -1.75 116.97 118.05 1xpn h TYR 79 Ca 0.08 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 1xpn h TYR 79 Cb 0.35 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1xpn h TYR 79 CO 0.00 -0.11 -0.44 1.88 -1.32 0.00 0.00 178.16 178.17 1xpn h TYR 80 N -0.46 0.00 0.00 -3.82 0.05 -0.95 -2.79 116.97 109.01 1xpn h TYR 80 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1xpn h TYR 80 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1xpn h TYR 80 CO -0.03 0.44 -0.19 0.00 -1.05 0.00 0.00 178.16 177.33 1xpn h ALA 81 N 1.56 1.10 0.03 3.88 0.00 -1.09 -1.42 119.26 123.31 1xpn h ALA 81 Ca -0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1xpn h ALA 81 Cb 0.88 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xpn h ALA 81 CO 0.06 0.24 -1.26 0.87 0.00 0.00 0.00 179.25 179.16 1xpn h LYS 82 N 0.00 0.07 0.00 0.00 1.57 -1.04 -3.45 116.57 113.73 1xpn h LYS 82 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1xpn h LYS 82 Cb 0.61 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1xpn h LYS 82 CO 0.02 0.94 0.00 1.19 -0.57 0.00 0.00 179.45 181.04 1xpn n PHE 83 N -3.33 0.00 0.00 -1.35 3.72 -1.11 -5.05 117.46 110.34 1xpn n PHE 83 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1xpn n PHE 83 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xpn n GLY 84 N 3.97 2.83 3.31 1.37 0.00 -0.55 -4.09 105.19 112.03 1xpn n GLY 84 Ca 0.00 0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1xpn n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpn s ASN 85 N -4.00 6.60 -0.13 1.61 0.01 -1.25 -4.21 114.94 113.56 1xpn s ASN 85 Ca 0.00 -2.63 -0.06 0.00 -0.71 0.00 0.00 52.86 49.46 1xpn s ASN 85 Cb 0.00 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1xpn s ASN 85 CO 0.00 -0.58 0.09 -0.22 -1.51 0.00 0.00 177.10 174.88 1xpn s LEU 86 N 0.27 4.08 0.10 0.60 2.96 -1.10 -4.94 118.68 120.65 1xpn s LEU 86 Ca 0.16 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 1xpn s LEU 86 Cb -0.13 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 1xpn s LEU 86 CO -0.07 0.35 1.09 -0.62 -1.32 0.00 0.00 176.35 175.77 1xpn s ASP 87 N -0.66 7.26 0.56 3.68 2.15 -1.26 -1.72 116.67 126.67 1xpn s ASP 87 Ca 0.12 1.95 0.32 0.00 0.43 0.00 0.00 52.55 55.37 1xpn s ASP 87 Cb -0.12 -2.59 1.66 0.00 -0.30 0.00 0.00 42.92 41.57 1xpn s ASP 87 CO 0.02 -0.28 2.14 0.00 -0.17 0.00 0.00 175.17 176.88 1xpn h ALA 88 N 5.98 1.22 0.00 3.66 0.00 -1.47 -2.17 119.26 126.49 1xpn h ALA 88 Ca -0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1xpn h ALA 88 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xpn h ALA 88 CO 0.75 0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.96 1xpn h ALA 89 N 1.93 1.13 -0.79 0.00 0.00 -1.82 -2.29 119.26 117.42 1xpn h ALA 89 Ca -0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 1xpn h ALA 89 Cb 0.26 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1xpn h ALA 89 CO 0.01 0.16 -0.53 0.36 0.00 0.00 0.00 179.25 179.25 1xpn n LYS 90 N -3.43 3.45 -1.66 0.00 2.85 -0.82 -5.02 118.16 113.53 1xpn n LYS 90 Ca -0.01 -4.02 -0.42 0.00 -1.05 0.00 0.00 58.31 52.81 1xpn n LYS 90 Cb 0.30 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.37 1xpn n LYS 90 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xpn n ARG 91 N -0.75 2.81 -3.08 -1.58 5.12 -0.86 -4.92 116.66 113.39 1xpn n ARG 91 Ca 0.47 1.02 -0.41 0.00 -1.93 0.00 0.00 57.85 57.00 1xpn n ARG 91 Cb 0.92 -3.00 -0.06 0.00 -1.16 0.00 0.00 32.46 29.15 1xpn n ARG 91 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1xpn s ASP 92 N 4.61 6.54 0.00 0.55 -1.08 -1.26 -4.93 116.67 121.10 1xpn s ASP 92 Ca 0.90 0.51 0.29 0.00 -0.52 0.00 0.00 52.55 53.73 1xpn s ASP 92 Cb -0.44 -2.35 1.28 0.00 -1.46 0.00 0.00 42.92 39.95 1xpn s ASP 92 CO 0.42 -0.49 1.88 -0.81 0.52 0.00 0.00 175.17 176.69 1xpn n PRO 93 N 5.92 1.18 -0.10 4.34 -0.04 -1.26 -4.05 135.00 140.98 1xpn n PRO 93 Ca -0.00 -0.50 -0.17 0.00 -0.04 0.00 0.00 63.50 62.79 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 -0.47 2.15 -4.55 3.54 -0.08 -1.26 -4.84 116.55 111.03 1xpn n ASP 94 Ca 0.18 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.06 1xpn n ASP 94 Cb 0.27 -0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xpn s VAL 95 N -2.41 3.66 0.10 5.18 1.01 -1.26 -5.00 120.40 121.68 1xpn s VAL 95 Ca -0.29 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1xpn s VAL 95 Cb 0.09 -4.68 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1xpn s VAL 95 CO 0.45 -1.60 0.46 -1.10 0.00 0.00 0.00 175.10 173.31 1xpn s GLN 96 N 5.97 3.87 -0.06 2.72 -0.21 -1.26 -4.88 119.66 125.81 1xpn s GLN 96 Ca 0.43 0.33 -0.29 0.00 0.02 0.00 0.00 55.36 55.85 1xpn s GLN 96 Cb -0.09 -2.99 -0.07 0.00 1.00 0.00 0.00 33.01 30.86 1xpn s GLN 96 CO 0.17 0.54 1.91 -2.14 -2.12 0.00 0.00 175.29 173.65 1xpn s PRO 97 N -1.85 3.93 0.23 2.91 0.02 -1.26 -4.93 135.00 134.05 1xpn s PRO 97 Ca 0.34 2.32 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 1xpn s PRO 97 Cb -0.15 -4.15 -0.11 0.00 0.02 0.00 0.00 34.50 30.11 1xpn s PRO 97 CO 0.18 -1.18 1.63 -1.25 -0.33 0.00 0.00 177.00 176.05 1xpn s PRO 98 N 4.74 4.16 -1.00 5.54 0.04 -1.26 -4.92 135.00 142.30 1xpn s PRO 98 Ca 0.86 2.52 -0.21 0.00 0.04 0.00 0.00 61.00 64.21 1xpn s PRO 98 Cb -0.37 -3.08 0.09 0.00 0.04 0.00 0.00 34.50 31.18 1xpn s PRO 98 CO 0.37 -0.66 1.34 0.08 0.04 0.00 0.00 177.00 178.17 1xpn s VAL 99 N 0.70 4.28 -0.21 -0.36 1.01 -1.26 -4.79 120.40 119.77 1xpn s VAL 99 Ca 0.69 -1.19 0.17 0.00 0.00 0.00 0.00 61.98 61.65 1xpn s VAL 99 Cb -0.47 -4.95 0.09 0.00 0.00 0.00 0.00 36.38 31.04 1xpn s VAL 99 CO 0.38 -1.77 1.38 0.17 0.00 0.00 0.00 175.10 175.26 1xpn h LEU 100 N 11.77 0.00 -6.91 3.92 8.10 -2.04 -3.45 115.31 126.70 1xpn h LEU 100 Ca 0.20 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.28 1xpn h LEU 100 Cb 1.00 0.00 -0.23 0.00 -0.44 0.00 0.00 40.66 40.99 1xpn h LEU 100 CO 1.30 0.39 0.13 -0.62 -4.11 0.00 0.00 178.44 175.54 1xpn s ASP 101 N -6.28 -0.79 0.39 0.17 -1.08 -1.26 -5.05 116.67 102.77 1xpn s ASP 101 Ca 0.04 1.19 0.28 0.00 -0.52 0.00 0.00 52.55 53.53 1xpn s ASP 101 Cb 0.07 1.58 0.98 0.00 -1.46 0.00 0.00 42.92 44.09 1xpn s ASP 101 CO 0.74 -0.18 1.80 1.55 0.52 0.00 0.00 175.17 179.61 1xpn h PRO 102 N 7.02 0.00 0.00 4.34 0.13 -2.01 -3.12 132.00 138.36 1xpn h PRO 102 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xpn h PRO 102 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xpn h PRO 102 CO 0.14 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.45 1xpn n ARG 103 N -2.70 0.01 0.12 0.86 1.74 -1.26 -1.92 116.66 113.51 1xpn n ARG 103 Ca 0.02 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.45 1xpn n ARG 103 Cb 0.34 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 30.94 1xpn n ARG 103 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xpn h ARG 104 N 0.00 0.02 0.00 5.56 3.08 -1.96 -0.02 114.38 121.05 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 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xpn h ARG 104 CO 0.00 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1xpn h ALA 105 N 1.86 1.00 0.00 0.04 0.00 -1.66 0.14 119.26 120.63 1xpn h ALA 105 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1xpn h ALA 105 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1xpn h ALA 105 CO -0.00 0.00 -2.06 2.41 0.00 0.00 0.00 179.25 179.59 1xpn n THR 106 N -2.69 0.91 0.10 0.00 -1.04 -0.12 -4.52 114.28 106.93 1xpn n THR 106 Ca -0.00 -0.64 0.09 0.00 -2.04 0.00 0.00 64.05 61.46 1xpn n THR 106 Cb 0.18 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1xpn n THR 106 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1xpn h TYR 107 N 0.00 0.00 -3.40 -1.42 0.05 -0.89 -3.44 116.97 107.87 1xpn h TYR 107 Ca -0.36 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.83 1xpn h TYR 107 Cb 1.79 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.45 1xpn h TYR 107 CO 0.00 0.13 0.68 0.08 -1.05 0.00 0.00 178.16 178.00 1xpn s VAL 108 N -3.25 4.58 -0.20 -2.88 1.01 0.44 -4.75 120.40 115.34 1xpn s VAL 108 Ca -0.00 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 1xpn s VAL 108 Cb 0.09 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1xpn s VAL 108 CO 0.78 -0.47 0.68 -0.60 0.00 0.00 0.00 175.10 175.49 1xpn s ARG 109 N 3.48 4.21 -0.18 2.72 3.52 -0.68 -4.86 118.95 127.16 1xpn s ARG 109 Ca 0.41 0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 56.62 1xpn s ARG 109 Cb -0.12 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1xpn s ARG 109 CO 0.16 -0.30 0.09 -1.21 -0.81 0.00 0.00 175.30 173.24 1xpn s GLU 110 N 2.09 4.01 -0.26 5.12 2.02 -1.26 -0.12 118.70 130.30 1xpn s GLU 110 Ca 0.30 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 1xpn s GLU 110 Cb -0.16 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.83 1xpn s GLU 110 CO 0.10 0.32 -0.07 0.00 0.02 0.00 0.00 175.26 175.64 1xpn s ALA 111 N 0.25 2.68 -0.38 5.21 0.00 0.49 -4.94 121.76 125.07 1xpn s ALA 111 Ca 0.06 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 1xpn s ALA 111 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1xpn s ALA 111 CO -0.01 -0.98 1.01 0.99 0.00 0.00 0.00 175.76 176.78 1xpn s THR 112 N 1.26 4.48 0.18 0.00 2.01 -1.26 -0.42 115.64 121.89 1xpn s THR 112 Ca -0.03 1.32 -0.32 0.00 0.31 0.00 0.00 61.69 62.98 1xpn s THR 112 Cb -0.18 -4.42 -0.11 0.00 0.01 0.00 0.00 72.50 67.81 1xpn s THR 112 CO -0.04 -0.63 1.71 0.42 -0.69 0.00 0.00 174.62 175.38 1xpn s THR 113 N 3.73 2.29 0.86 -0.82 -4.23 -0.44 -4.82 115.64 112.21 1xpn s THR 113 Ca 0.42 0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.92 1xpn s THR 113 Cb -0.11 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 70.85 1xpn s THR 113 CO 0.21 0.01 0.90 -0.67 -0.54 0.00 0.00 174.62 174.52 1xpn n ASP 114 N 4.36 -1.13 0.14 3.99 2.03 -1.12 -0.41 116.55 124.42 1xpn n ASP 114 Ca 0.16 -1.14 0.14 0.00 0.52 0.00 0.00 54.79 54.47 1xpn n ASP 114 Cb 0.37 -0.76 0.67 0.00 -0.72 0.00 0.00 41.12 40.68 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xpn h GLN 115 N 0.00 0.00 -0.00 -0.67 4.15 -1.92 0.19 115.11 116.86 1xpn h GLN 115 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1xpn h GLN 115 Cb 0.93 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1xpn h GLN 115 CO 0.21 0.00 -0.00 0.09 -1.93 0.00 0.00 178.83 177.20 1xpn n ASN 116 N -4.43 0.34 -2.53 -0.69 4.13 -1.26 -4.91 115.26 105.91 1xpn n ASN 116 Ca 0.03 -1.07 -0.15 0.00 1.68 0.00 0.00 54.58 55.08 1xpn n ASN 116 Cb 0.34 -0.01 0.05 0.00 -1.54 0.00 0.00 39.78 38.62 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 1.06 -0.03 3.25 7.41 0.00 0.68 -4.89 105.19 112.66 1xpn n GLY 117 Ca 0.22 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1xpn n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpn s ARG 118 N -5.68 1.34 0.07 1.61 3.52 -1.26 -0.31 118.95 118.23 1xpn s ARG 118 Ca 0.32 -0.95 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1xpn s ARG 118 Cb -0.14 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1xpn s ARG 118 CO 0.47 0.37 -0.17 -0.59 -0.81 0.00 0.00 175.30 174.58 1xpn s PHE 119 N -0.84 1.44 -0.06 5.12 -0.12 0.42 -2.79 117.98 121.15 1xpn s PHE 119 Ca 0.07 -0.42 -0.08 0.00 -0.05 0.00 0.00 56.93 56.46 1xpn s PHE 119 Cb -0.09 -0.81 0.02 0.00 -0.63 0.00 0.00 43.02 41.50 1xpn s PHE 119 CO 0.02 0.10 0.20 0.16 -0.05 0.00 0.00 175.22 175.65 1xpn s ASP 120 N -1.60 -0.16 -0.14 1.98 1.47 -1.26 -1.22 116.67 115.73 1xpn s ASP 120 Ca 0.02 0.26 -0.02 0.00 1.18 0.00 0.00 52.55 53.98 1xpn s ASP 120 Cb -0.09 0.37 0.05 0.00 -0.34 0.00 0.00 42.92 42.90 1xpn s ASP 120 CO 0.03 -0.16 0.02 -0.36 0.68 0.00 0.00 175.17 175.38 1xpn s PHE 121 N -0.31 0.84 0.11 2.11 0.08 0.14 -4.93 117.98 116.01 1xpn s PHE 121 Ca -0.04 -0.56 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 1xpn s PHE 121 Cb -0.03 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 1xpn s PHE 121 CO 0.01 -0.50 0.35 0.16 -0.10 0.00 0.00 175.22 175.14 1xpn s ASP 122 N 1.92 6.50 -0.34 1.36 -4.77 -1.26 -0.37 116.67 119.70 1xpn s ASP 122 Ca 0.02 0.58 -0.06 0.00 -3.30 0.00 0.00 52.55 49.78 1xpn s ASP 122 Cb -0.15 -2.09 0.01 0.00 -1.09 0.00 0.00 42.92 39.60 1xpn s ASP 122 CO -0.07 0.11 0.22 1.57 0.70 0.00 0.00 175.17 177.70 1xpn n HIS 123 N 0.37 -3.67 -4.58 2.11 -0.00 -1.09 -4.96 115.22 103.40 1xpn n HIS 123 Ca -0.05 1.58 -0.23 0.00 -0.00 0.00 0.00 57.72 59.02 1xpn n HIS 123 Cb 0.52 -3.90 -0.16 0.00 -0.00 0.00 0.00 29.99 26.45 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1xpn s ILE 124 N -1.95 1.08 0.17 3.57 1.01 0.14 -4.85 121.20 120.38 1xpn s ILE 124 Ca 0.09 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 59.92 1xpn s ILE 124 Cb -0.02 -0.96 -0.13 0.00 0.01 0.00 0.00 42.46 41.36 1xpn s ILE 124 CO 0.76 0.33 1.69 -2.65 0.00 0.00 0.00 174.94 175.07 1xpn n PRO 125 N 3.43 2.55 -1.71 2.79 -0.02 -1.26 -1.61 135.00 139.16 1xpn n PRO 125 Ca -0.20 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1xpn n PRO 125 Cb 0.53 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1xpn n PRO 125 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xpn n ASN 126 N 4.06 3.97 0.00 2.55 4.13 -1.26 -4.86 115.26 123.84 1xpn n ASN 126 Ca 0.17 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.47 1xpn n ASN 126 Cb 0.33 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.01 1xpn n ASN 126 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 127 N 4.00 -0.88 3.57 7.41 0.00 -0.69 -5.00 105.19 113.59 1xpn n GLY 127 Ca 0.16 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 128 N -3.00 4.17 0.09 2.61 2.01 -1.26 0.13 115.64 120.38 1xpn s THR 128 Ca 0.00 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1xpn s THR 128 Cb 0.00 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1xpn s THR 128 CO 0.00 0.51 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.03 1xpn s TYR 129 N 0.10 0.98 -0.08 4.92 1.51 0.36 -1.36 117.35 123.78 1xpn s TYR 129 Ca 0.01 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.38 1xpn s TYR 129 Cb -0.13 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1xpn s TYR 129 CO 0.02 -0.03 0.10 0.71 -1.11 0.00 0.00 175.55 175.24 1xpn s TYR 130 N -2.33 3.44 -0.30 2.71 2.02 0.14 -0.56 117.35 122.46 1xpn s TYR 130 Ca 0.03 0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1xpn s TYR 130 Cb -0.04 -1.86 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1xpn s TYR 130 CO -0.00 0.64 -0.01 0.42 -1.57 0.00 0.00 175.55 175.02 1xpn s ILE 131 N -1.05 2.76 -0.28 2.71 1.01 0.37 0.00 121.20 126.72 1xpn s ILE 131 Ca 0.17 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.18 1xpn s ILE 131 Cb -0.12 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1xpn s ILE 131 CO 0.07 -0.15 0.14 -0.44 0.00 0.00 0.00 174.94 174.55 1xpn s SER 132 N 1.23 5.59 -0.04 3.58 0.01 -0.17 -0.87 113.70 123.04 1xpn s SER 132 Ca -0.04 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 1xpn s SER 132 Cb -0.20 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.03 1xpn s SER 132 CO -0.03 -0.08 0.01 -0.94 0.41 0.00 0.00 173.24 172.62 1xpn s SER 133 N 1.68 0.78 -0.47 2.44 1.04 -0.79 -1.71 113.70 116.66 1xpn s SER 133 Ca 0.06 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1xpn s SER 133 Cb -0.16 -0.25 0.10 0.00 0.10 0.00 0.00 66.02 65.81 1xpn s SER 133 CO 0.07 -0.14 0.37 -1.83 0.98 0.00 0.00 173.24 172.69 1xpn s GLU 134 N 1.39 2.76 -0.23 4.02 -1.05 -1.26 -0.55 118.70 123.79 1xpn s GLU 134 Ca -0.05 -1.57 -0.04 0.00 -0.15 0.00 0.00 54.97 53.17 1xpn s GLU 134 Cb -0.13 -4.03 -0.00 0.00 -0.44 0.00 0.00 34.13 29.52 1xpn s GLU 134 CO -0.03 -1.12 -0.03 -1.17 0.95 0.00 0.00 175.26 173.86 1xpn s LEU 135 N 1.51 3.05 -0.02 1.83 2.96 -0.68 -4.86 118.68 122.47 1xpn s LEU 135 Ca 0.04 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 1xpn s LEU 135 Cb -0.26 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1xpn s LEU 135 CO 0.03 -0.05 -0.19 0.42 -1.32 0.00 0.00 176.35 175.23 1xpn s THR 136 N 1.47 1.55 -0.01 3.68 -4.23 -1.26 -1.69 115.64 115.14 1xpn s THR 136 Ca 0.05 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1xpn s THR 136 Cb -0.15 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.41 1xpn s THR 136 CO -0.03 0.44 -0.01 -1.66 -0.54 0.00 0.00 174.62 172.83 1xpn s TRP 137 N -0.37 0.14 -0.44 3.99 -2.14 -0.65 -4.96 118.94 114.51 1xpn s TRP 137 Ca 0.05 0.00 -0.19 0.00 2.66 0.00 0.00 56.10 58.62 1xpn s TRP 137 Cb -0.08 -0.15 0.03 0.00 -3.10 0.00 0.00 33.47 30.17 1xpn s TRP 137 CO -0.00 -0.03 0.55 -1.12 -2.66 0.00 0.00 176.95 173.69 1xpn s SER 138 N 0.26 6.25 0.04 -2.66 0.01 -1.26 0.25 113.70 116.59 1xpn s SER 138 Ca -0.02 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.71 1xpn s SER 138 Cb -0.04 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1xpn s SER 138 CO -0.01 -0.72 -0.15 0.00 0.41 0.00 0.00 173.24 172.77 1xpn s ALA 139 N 2.50 2.71 -0.58 1.44 0.00 0.12 -4.84 121.76 123.10 1xpn s ALA 139 Ca 0.17 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1xpn s ALA 139 Cb -0.16 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.17 1xpn s ALA 139 CO 0.15 0.59 1.10 -0.65 0.00 0.00 0.00 175.76 176.95 1xpn s GLN 140 N -1.53 3.41 -0.44 0.00 -0.21 -1.26 -0.23 119.66 119.41 1xpn s GLN 140 Ca 0.16 -0.00 -0.12 0.00 0.02 0.00 0.00 55.36 55.42 1xpn s GLN 140 Cb -0.11 -4.05 0.07 0.00 1.00 0.00 0.00 33.01 29.93 1xpn s GLN 140 CO 0.07 -1.65 0.31 0.45 -2.12 0.00 0.00 175.29 172.35 1xpn s SER 141 N 2.99 5.85 -1.18 5.90 0.15 0.19 -4.56 113.70 123.05 1xpn s SER 141 Ca 0.37 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1xpn s SER 141 Cb -0.10 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1xpn s SER 141 CO 0.22 -0.57 0.00 0.47 1.20 0.00 0.00 173.24 174.56 1xpn n ASP 142 N 5.04 -5.25 0.00 5.45 9.92 -1.26 -1.76 116.55 128.68 1xpn n ASP 142 Ca -0.11 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1xpn n ASP 142 Cb 0.43 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.19 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xpn n GLY 143 N -0.40 1.93 3.73 0.44 0.00 -1.26 -5.10 105.19 104.53 1xpn n GLY 143 Ca -0.11 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 4.22 -0.80 1.61 1.02 -0.72 -5.01 119.74 120.06 1xpn s LYS 144 Ca 0.00 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 1xpn s LYS 144 Cb 0.00 -3.41 0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1xpn s LYS 144 CO 0.00 0.27 1.18 0.99 -0.92 0.00 0.00 175.35 176.87 1xpn s THR 145 N 0.38 4.12 -0.04 2.17 2.01 -1.26 0.57 115.64 123.60 1xpn s THR 145 Ca 0.16 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1xpn s THR 145 Cb -0.13 -4.84 -0.04 0.00 0.01 0.00 0.00 72.50 67.50 1xpn s THR 145 CO 0.04 -1.68 0.13 0.27 -0.69 0.00 0.00 174.62 172.68 1xpn s ILE 146 N 4.54 5.17 -0.57 1.82 -4.36 0.69 -4.80 121.20 123.69 1xpn s ILE 146 Ca 0.32 -0.16 -0.19 0.00 -0.26 0.00 0.00 60.65 60.36 1xpn s ILE 146 Cb -0.09 -3.35 0.08 0.00 1.25 0.00 0.00 42.46 40.36 1xpn s ILE 146 CO 0.05 0.42 0.70 -0.89 0.24 0.00 0.00 174.94 175.45 1xpn s THR 147 N -1.19 4.80 0.90 8.37 2.01 -1.26 0.12 115.64 129.39 1xpn s THR 147 Ca 0.22 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1xpn s THR 147 Cb -0.12 -4.44 0.18 0.00 0.01 0.00 0.00 72.50 68.13 1xpn s THR 147 CO 0.13 -1.04 1.23 -1.61 -0.69 0.00 0.00 174.62 172.64 1xpn s GLU 148 N 2.78 0.90 0.00 4.92 2.02 0.14 -4.58 118.70 124.87 1xpn s GLU 148 Ca 0.14 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1xpn s GLU 148 Cb -0.22 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1xpn s GLU 148 CO 0.09 -2.16 0.00 0.41 0.02 0.00 0.00 175.26 173.62 1xpn n GLY 149 N -3.51 0.02 0.00 -1.39 0.00 -1.26 -1.64 105.19 97.42 1xpn n GLY 149 Ca 0.16 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 0.87 3.54 -0.02 0.00 -0.68 -1.16 105.19 107.75 1xpn n GLY 150 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.84 4.96 -0.41 2.61 -4.23 -0.70 -1.69 115.64 113.34 1xpn s THR 151 Ca 0.00 0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 1xpn s THR 151 Cb 0.00 -4.04 0.04 0.00 1.34 0.00 0.00 72.50 69.84 1xpn s THR 151 CO 0.00 -0.34 0.29 0.54 -0.54 0.00 0.00 174.62 174.56 1xpn s VAL 152 N 2.50 4.88 -0.36 2.29 0.11 0.29 -2.71 120.40 127.40 1xpn s VAL 152 Ca 0.20 -0.93 -0.10 0.00 -2.93 0.00 0.00 61.98 58.22 1xpn s VAL 152 Cb -0.15 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1xpn s VAL 152 CO 0.15 -0.38 0.18 -0.89 -3.33 0.00 0.00 175.10 170.83 1xpn s THR 153 N 1.59 4.38 -0.08 5.04 2.01 -1.26 -1.89 115.64 125.43 1xpn s THR 153 Ca 0.03 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1xpn s THR 153 Cb -0.21 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1xpn s THR 153 CO 0.07 -0.20 -0.11 -0.75 -0.69 0.00 0.00 174.62 172.94 1xpn s LYS 154 N 1.52 2.85 -0.20 4.92 2.20 -0.05 -4.85 119.74 126.12 1xpn s LYS 154 Ca 0.01 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 54.72 1xpn s LYS 154 Cb -0.19 -2.54 -0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1xpn s LYS 154 CO 0.06 0.53 0.96 -1.17 -0.36 0.00 0.00 175.35 175.36 1xpn s LEU 155 N -0.46 4.13 -0.12 5.43 1.98 -1.26 -0.48 118.68 127.90 1xpn s LEU 155 Ca 0.06 1.30 0.00 0.00 -2.89 0.00 0.00 54.13 52.60 1xpn s LEU 155 Cb -0.12 -3.42 0.02 0.00 0.66 0.00 0.00 46.19 43.33 1xpn s LEU 155 CO 0.02 -0.56 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.12 1xpn s VAL 156 N 2.76 1.30 -0.15 1.68 1.01 0.27 -4.98 120.40 122.29 1xpn s VAL 156 Ca 0.42 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1xpn s VAL 156 Cb -0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1xpn s VAL 156 CO 0.09 0.41 0.06 0.28 0.00 0.00 0.00 175.10 175.94 1xpn s THR 157 N 1.43 4.81 -0.57 3.92 -1.32 -1.26 -0.49 115.64 122.17 1xpn s THR 157 Ca 0.02 -0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 1xpn s THR 157 Cb -0.13 -3.13 0.15 0.00 -1.51 0.00 0.00 72.50 67.88 1xpn s THR 157 CO -0.07 0.52 0.44 -0.69 -2.21 0.00 0.00 174.62 172.61 1xpn s VAL 158 N -0.14 4.34 -1.42 5.08 1.01 0.12 -4.87 120.40 124.51 1xpn s VAL 158 Ca 0.07 -2.16 0.22 0.00 0.00 0.00 0.00 61.98 60.11 1xpn s VAL 158 Cb -0.12 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.30 1xpn s VAL 158 CO 0.01 -0.84 0.98 -1.20 0.00 0.00 0.00 175.10 174.05 1xpn n SER 159 N 4.44 1.41 -4.01 3.32 7.64 -1.26 -1.70 113.62 123.45 1xpn n SER 159 Ca -0.01 -1.20 -0.12 0.00 1.01 0.00 0.00 58.87 58.55 1xpn n SER 159 Cb 0.41 0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 64.28 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 -2.79 0.36 0.21 0.23 0.00 -1.26 -5.03 107.32 99.04 1xpn s GLY 160 Ca 0.12 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.35 1xpn s GLY 160 CO 0.75 -0.62 1.48 1.76 0.00 0.00 0.00 173.10 176.47 1xpn h SER 161 N 4.87 0.01 -4.12 1.64 0.02 -1.93 -3.38 113.55 110.67 1xpn h SER 161 Ca -0.33 -0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.10 1xpn h SER 161 Cb 1.20 -0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.83 1xpn h SER 161 CO 0.43 0.77 0.43 -1.10 -1.14 0.00 0.00 176.83 176.22 1xpn s GLN 162 N -3.27 3.09 0.09 3.45 -0.21 -1.26 -1.96 119.66 119.59 1xpn s GLN 162 Ca -0.01 1.63 -0.33 0.00 0.02 0.00 0.00 55.36 56.67 1xpn s GLN 162 Cb 0.12 -1.97 -0.12 0.00 1.00 0.00 0.00 33.01 32.04 1xpn s GLN 162 CO 0.79 -1.06 1.78 -0.35 -2.12 0.00 0.00 175.29 174.32 1xpn n PRO 163 N -1.67 2.50 -3.37 2.91 -0.04 -1.26 -4.22 135.00 129.86 1xpn n PRO 163 Ca 0.12 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 64.08 1xpn n PRO 163 Cb 0.51 -2.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.12 1xpn n PRO 163 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xpn s GLN 164 N 2.52 3.54 -0.33 0.54 1.11 0.70 -4.94 119.66 122.79 1xpn s GLN 164 Ca 0.83 -0.40 -0.29 0.00 0.01 0.00 0.00 55.36 55.52 1xpn s GLN 164 Cb -0.58 -3.82 0.02 0.00 -1.01 0.00 0.00 33.01 27.62 1xpn s GLN 164 CO 0.40 -0.57 1.06 0.21 0.01 0.00 0.00 175.29 176.40 1xpn s LYS 165 N 2.09 4.03 -0.20 2.91 2.20 -1.24 -1.00 119.74 128.53 1xpn s LYS 165 Ca 0.13 0.99 0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1xpn s LYS 165 Cb -0.16 -3.75 0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1xpn s LYS 165 CO 0.12 -0.92 -0.11 0.08 -0.36 0.00 0.00 175.35 174.16 1xpn s VAL 166 N 3.66 1.66 -0.58 4.02 1.01 -0.80 -4.96 120.40 124.42 1xpn s VAL 166 Ca 0.45 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 1xpn s VAL 166 Cb -0.12 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xpn s VAL 166 CO 0.16 0.18 1.07 -0.76 0.00 0.00 0.00 175.10 175.76 1xpn s LEU 167 N 1.39 3.78 -0.91 3.92 1.43 -1.26 -1.62 118.68 125.41 1xpn s LEU 167 Ca -0.01 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1xpn s LEU 167 Cb -0.16 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.16 1xpn s LEU 167 CO -0.08 -1.38 1.35 -0.22 0.23 0.00 0.00 176.35 176.25 1xpn s LEU 168 N 4.48 3.55 -0.23 1.79 0.20 0.10 -4.87 118.68 123.71 1xpn s LEU 168 Ca 0.36 -1.16 -0.09 0.00 0.69 0.00 0.00 54.13 53.93 1xpn s LEU 168 Cb -0.10 -2.55 0.09 0.00 -0.43 0.00 0.00 46.19 43.20 1xpn s LEU 168 CO 0.21 -1.58 0.52 0.28 -0.29 0.00 0.00 176.35 175.49 1xpn s THR 169 N 5.00 -0.52 0.00 3.68 -1.32 -1.26 -2.56 115.64 118.66 1xpn s THR 169 Ca 0.40 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 1xpn s THR 169 Cb -0.04 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1xpn s THR 169 CO -0.01 0.04 0.00 0.54 -2.21 0.00 0.00 174.62 172.97