#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 1.09 -2.97 1.61 0.02 -2.13 -3.40 113.55 107.77 1xpn h SER 2 Ca 0.00 -0.23 -0.37 0.00 -0.84 0.00 0.00 61.79 60.35 1xpn h SER 2 Cb 0.00 -0.29 -0.38 0.00 0.14 0.00 0.00 62.40 61.87 1xpn h SER 2 CO 0.00 1.04 -0.69 -0.55 -1.14 0.00 0.00 176.83 175.49 1xpn s SER 3 N -6.46 1.53 -0.05 3.07 0.15 -1.26 -5.00 113.70 105.69 1xpn s SER 3 Ca -0.12 -0.18 0.13 0.00 0.70 0.00 0.00 55.95 56.48 1xpn s SER 3 Cb 0.15 0.05 0.41 0.00 -1.71 0.00 0.00 66.02 64.92 1xpn s SER 3 CO 0.85 -0.30 1.34 1.57 1.20 0.00 0.00 173.24 177.90 1xpn n HIS 4 N 5.30 0.69 -4.11 3.44 -0.00 -1.26 -4.98 115.22 114.30 1xpn n HIS 4 Ca -0.05 -0.59 -0.13 0.00 0.46 0.00 0.00 57.72 57.41 1xpn n HIS 4 Cb 0.49 -0.11 -0.11 0.00 -0.12 0.00 0.00 29.99 30.15 1xpn n HIS 4 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1xpn s HIS 5 N -1.47 0.79 -0.05 1.57 0.00 -1.26 -5.15 115.29 109.72 1xpn s HIS 5 Ca 0.31 -0.63 0.06 0.00 -3.00 0.00 0.00 55.06 51.80 1xpn s HIS 5 Cb 0.19 -0.46 -0.02 0.00 -4.00 0.00 0.00 32.58 28.30 1xpn s HIS 5 CO 0.16 -0.09 -0.22 -1.01 -1.00 0.00 0.00 174.74 172.58 1xpn s HIS 6 N -2.13 2.49 -0.30 0.38 0.09 -1.26 -5.10 115.29 109.46 1xpn s HIS 6 Ca -0.02 -0.47 -0.03 0.00 -0.00 0.00 0.00 55.06 54.54 1xpn s HIS 6 Cb -0.05 -1.59 0.10 0.00 -0.00 0.00 0.00 32.58 31.05 1xpn s HIS 6 CO -0.01 -0.05 0.13 -1.58 -0.00 0.00 0.00 174.74 173.23 1xpn s HIS 7 N -0.44 0.59 -0.30 1.40 5.65 -1.26 -5.09 115.29 115.84 1xpn s HIS 7 Ca 0.05 -1.09 -0.14 0.00 0.25 0.00 0.00 55.06 54.13 1xpn s HIS 7 Cb -0.12 -1.04 0.14 0.00 -1.18 0.00 0.00 32.58 30.39 1xpn s HIS 7 CO 0.01 -0.84 0.88 -3.38 -0.65 0.00 0.00 174.74 170.76 1xpn s HIS 8 N 1.93 -0.84 0.00 3.88 -0.00 -1.26 -5.03 115.29 113.97 1xpn s HIS 8 Ca 0.10 1.52 0.00 0.00 -0.00 0.00 0.00 55.06 56.68 1xpn s HIS 8 Cb -0.17 0.50 0.00 0.00 -0.00 0.00 0.00 32.58 32.91 1xpn s HIS 8 CO -0.32 -0.42 0.00 0.72 -0.00 0.00 0.00 174.74 174.72 1xpn n HIS 9 N 4.67 0.00 -3.08 0.38 -0.00 -1.26 -5.01 115.22 110.93 1xpn n HIS 9 Ca -0.13 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.14 1xpn n HIS 9 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.50 1xpn n HIS 9 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1xpn s SER 10 N -0.43 6.57 -0.01 0.41 0.01 -1.26 -4.70 113.70 114.29 1xpn s SER 10 Ca 0.00 -2.08 0.20 0.00 1.31 0.00 0.00 55.95 55.37 1xpn s SER 10 Cb 0.00 -2.33 -0.25 0.00 0.21 0.00 0.00 66.02 63.66 1xpn s SER 10 CO 0.00 -0.94 0.69 -1.20 0.41 0.00 0.00 173.24 172.20 1xpn n SER 11 N 5.79 0.74 -3.70 2.44 7.64 -1.26 -4.84 113.62 120.43 1xpn n SER 11 Ca 0.14 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 59.12 1xpn n SER 11 Cb 0.47 1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 64.83 1xpn n SER 11 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 12 N -3.36 0.68 -0.20 0.23 0.00 -1.26 -5.01 107.32 98.40 1xpn s GLY 12 Ca 0.02 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.79 1xpn s GLY 12 CO 0.81 1.54 -0.01 1.04 0.00 0.00 0.00 173.10 176.48 1xpn n LEU 13 N 5.08 1.86 -4.85 0.66 4.77 -1.26 -4.93 117.00 118.32 1xpn n LEU 13 Ca -0.08 0.47 -0.34 0.00 -0.03 0.00 0.00 56.01 56.03 1xpn n LEU 13 Cb 0.46 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1xpn n LEU 13 CO 0.12 0.06 0.23 0.68 -1.33 0.00 0.00 177.39 177.14 1xpn s VAL 14 N -2.38 4.88 0.17 4.08 -7.23 -1.26 -5.00 120.40 113.65 1xpn s VAL 14 Ca -0.26 0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 60.50 1xpn s VAL 14 Cb 0.06 -3.70 0.04 0.00 0.56 0.00 0.00 36.38 33.34 1xpn s VAL 14 CO 0.46 0.16 1.78 -0.65 -0.31 0.00 0.00 175.10 176.53 1xpn h PRO 15 N 3.30 0.40 -4.54 4.82 0.11 -2.05 -3.41 132.00 130.64 1xpn h PRO 15 Ca -0.48 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.06 1xpn h PRO 15 Cb 1.19 -0.09 -0.35 0.00 0.11 0.00 0.00 31.00 31.86 1xpn h PRO 15 CO 0.67 0.27 -0.82 1.03 -0.21 0.00 0.00 178.00 178.93 1xpn s ARG 16 N -6.15 1.85 0.42 1.05 1.81 -1.26 -5.13 118.95 111.55 1xpn s ARG 16 Ca -0.13 -0.43 -0.22 0.00 -1.72 0.00 0.00 55.73 53.23 1xpn s ARG 16 Cb 0.13 -1.63 -0.10 0.00 -0.45 0.00 0.00 34.95 32.90 1xpn s ARG 16 CO 0.72 -0.08 0.99 0.20 -0.68 0.00 0.00 175.30 176.45 1xpn s GLY 17 N 1.05 2.54 -0.43 -3.53 0.00 -1.26 -5.00 107.32 100.68 1xpn s GLY 17 Ca -0.07 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.91 1xpn s GLY 17 CO -0.01 0.86 0.98 -1.35 0.00 0.00 0.00 173.10 173.58 1xpn s SER 18 N -1.94 6.59 -0.45 1.64 1.04 -1.26 -4.97 113.70 114.35 1xpn s SER 18 Ca 0.61 0.36 -0.27 0.00 0.48 0.00 0.00 55.95 57.13 1xpn s SER 18 Cb -0.15 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1xpn s SER 18 CO 0.19 -1.04 1.93 -1.38 0.98 0.00 0.00 173.24 173.91 1xpn s HIS 19 N 3.84 1.62 -1.22 5.02 -3.43 -1.26 -4.88 115.29 114.99 1xpn s HIS 19 Ca 0.40 0.81 -0.19 0.00 -0.80 0.00 0.00 55.06 55.27 1xpn s HIS 19 Cb -0.10 -4.03 0.07 0.00 -1.43 0.00 0.00 32.58 27.09 1xpn s HIS 19 CO 0.25 -2.73 1.65 1.41 -2.00 0.00 0.00 174.74 173.33 1xpn s MET 20 N 6.54 3.88 0.07 -0.38 1.75 -1.26 -4.89 119.30 125.01 1xpn s MET 20 Ca 0.79 -1.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.48 1xpn s MET 20 Cb -0.19 -5.48 -0.04 0.00 2.84 0.00 0.00 34.83 31.96 1xpn s MET 20 CO 0.28 -2.24 -0.05 0.00 -0.65 0.00 0.00 175.02 172.36 1xpn s ALA 21 N 4.41 0.69 0.28 4.11 0.00 -1.26 -5.18 121.76 124.81 1xpn s ALA 21 Ca 0.52 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1xpn s ALA 21 Cb 0.03 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1xpn s ALA 21 CO 0.03 -0.24 0.16 -1.12 0.00 0.00 0.00 175.76 174.58 1xpn s SER 22 N -2.67 1.17 0.05 0.00 0.01 -1.26 -5.08 113.70 105.92 1xpn s SER 22 Ca 0.05 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1xpn s SER 22 Cb 0.03 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1xpn s SER 22 CO -0.06 -0.88 0.00 0.59 0.41 0.00 0.00 173.24 173.30 1xpn n ASN 23 N -0.80 -5.29 -4.14 2.44 3.02 -1.26 -4.79 115.26 104.44 1xpn n ASN 23 Ca 0.02 0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 54.90 1xpn n ASN 23 Cb 0.65 -2.87 -0.02 0.00 -0.61 0.00 0.00 39.78 36.93 1xpn n ASN 23 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xpn n PRO 24 N 0.84 2.62 0.00 3.52 -0.04 -1.26 -4.80 135.00 135.89 1xpn n PRO 24 Ca 0.00 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 1xpn n PRO 24 Cb 0.00 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 1xpn n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xpn n ASN 25 N 8.24 0.00 0.00 3.54 4.13 -1.26 -4.51 115.26 125.39 1xpn n ASN 25 Ca 0.50 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.76 1xpn n ASN 25 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xpn n ASP 26 N 4.18 0.00 -3.99 6.41 -0.08 -1.26 -5.10 116.55 116.70 1xpn n ASP 26 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 1xpn n ASP 26 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1xpn s LEU 27 N 0.00 1.51 -0.23 -2.67 1.43 -1.26 -4.70 118.68 112.75 1xpn s LEU 27 Ca 0.00 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1xpn s LEU 27 Cb 0.00 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1xpn s LEU 27 CO 0.00 -0.04 1.44 -2.84 0.23 0.00 0.00 176.35 175.14 1xpn s PRO 28 N 1.27 3.93 0.18 1.29 0.02 -1.26 -4.92 135.00 135.51 1xpn s PRO 28 Ca -0.02 1.53 -0.06 0.00 0.02 0.00 0.00 61.00 62.47 1xpn s PRO 28 Cb -0.14 -3.93 0.08 0.00 0.02 0.00 0.00 34.50 30.53 1xpn s PRO 28 CO -0.05 -1.12 1.51 -0.44 -0.33 0.00 0.00 177.00 176.58 1xpn h ASP 29 N 9.73 0.76 0.24 2.53 3.32 -2.00 -3.34 116.42 127.66 1xpn h ASP 29 Ca -0.30 -0.37 -0.34 0.00 0.02 0.00 0.00 57.03 56.04 1xpn h ASP 29 Cb 1.13 -0.21 0.03 0.00 0.22 0.00 0.00 39.33 40.49 1xpn h ASP 29 CO 1.01 1.10 -1.58 -0.26 -1.72 0.00 0.00 179.24 177.79 1xpn h PHE 30 N 0.56 0.91 0.00 4.55 0.04 -2.05 -3.30 116.94 117.65 1xpn h PHE 30 Ca 0.03 -0.66 0.00 0.00 2.80 0.00 0.00 57.97 60.14 1xpn h PHE 30 Cb 1.01 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1xpn h PHE 30 CO 0.05 1.61 0.00 -2.30 -0.60 0.00 0.00 178.31 177.07 1xpn n PRO 31 N -3.68 0.00 0.06 1.51 -0.02 -1.25 -1.68 135.00 129.93 1xpn n PRO 31 Ca -0.20 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.36 1xpn n PRO 31 Cb 1.10 -1.45 0.33 0.00 -0.02 0.00 0.00 33.50 33.46 1xpn n PRO 31 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpn n GLU 32 N -0.82 0.07 0.28 -0.52 1.02 -1.24 -1.76 120.64 117.67 1xpn n GLU 32 Ca 0.00 0.40 0.16 0.00 -0.02 0.00 0.00 57.16 57.70 1xpn n GLU 32 Cb 0.00 -1.66 0.90 0.00 -0.02 0.00 0.00 31.44 30.67 1xpn n GLU 32 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xpn h HIS 33 N 0.00 0.00 0.00 -0.32 3.86 -1.63 -1.99 115.15 115.07 1xpn h HIS 33 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xpn h HIS 33 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1xpn h HIS 33 CO 0.00 0.00 0.00 -1.91 0.86 0.00 0.00 177.93 176.88 1xpn n GLU 34 N -3.83 0.05 0.00 2.45 2.13 -0.72 -2.05 120.64 118.66 1xpn n GLU 34 Ca -0.02 0.20 0.11 0.00 0.66 0.00 0.00 57.16 58.11 1xpn n GLU 34 Cb 0.13 -1.57 0.62 0.00 0.27 0.00 0.00 31.44 30.88 1xpn n GLU 34 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1xpn n TYR 35 N -1.65 0.00 -0.13 4.31 4.01 -0.75 -2.39 117.16 120.56 1xpn n TYR 35 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1xpn n TYR 35 Cb 0.24 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1xpn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xpn n ALA 36 N -1.07 1.90 0.05 -0.72 0.00 -0.87 -4.66 120.51 115.14 1xpn n ALA 36 Ca 0.15 -0.89 0.09 0.00 0.00 0.00 0.00 53.44 52.78 1xpn n ALA 36 Cb 0.10 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.40 2.34 -2.85 0.00 0.00 -1.01 -4.97 120.51 113.62 1xpn n ALA 37 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.08 1xpn n ALA 37 Cb 0.26 -0.64 -0.05 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 -1.14 5.37 0.19 0.00 -4.23 -1.26 -5.11 115.64 109.46 1xpn s THR 38 Ca 0.30 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.80 1xpn s THR 38 Cb 0.17 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1xpn s THR 38 CO 0.23 0.27 -0.20 -1.10 -0.54 0.00 0.00 174.62 173.27 1xpn s GLN 39 N -2.09 1.41 0.00 3.99 1.11 -1.26 -5.03 119.66 117.79 1xpn s GLN 39 Ca 0.30 -1.50 0.25 0.00 0.01 0.00 0.00 55.36 54.43 1xpn s GLN 39 Cb -0.13 -1.56 0.49 0.00 -1.01 0.00 0.00 33.01 30.80 1xpn s GLN 39 CO 0.21 0.32 1.43 1.04 0.01 0.00 0.00 175.29 178.30 1xpn n GLN 40 N 0.16 2.11 -2.46 2.91 6.02 -1.26 -4.74 117.38 120.13 1xpn n GLN 40 Ca -0.12 -1.62 -0.39 0.00 -0.01 0.00 0.00 57.00 54.86 1xpn n GLN 40 Cb 0.57 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.96 3.76 -0.14 5.09 1.01 -1.26 -4.72 120.40 122.17 1xpn s VAL 41 Ca 0.32 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1xpn s VAL 41 Cb 0.20 -4.81 0.04 0.00 0.00 0.00 0.00 36.38 31.81 1xpn s VAL 41 CO 0.31 -1.72 0.39 -0.83 0.00 0.00 0.00 175.10 173.25 1xpn s GLY 42 N 5.14 -0.29 -0.22 4.51 0.00 -1.26 -4.60 107.32 110.60 1xpn s GLY 42 Ca 0.47 1.06 0.15 0.00 0.00 0.00 0.00 44.72 46.39 1xpn s GLY 42 CO 0.02 0.90 1.59 0.61 0.00 0.00 0.00 173.10 176.21 1xpn n GLY 43 N 2.76 3.66 3.76 0.20 0.00 -1.24 -2.59 105.19 111.74 1xpn n GLY 43 Ca -0.14 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1xpn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xpn s GLY 44 N -1.45 3.03 -0.24 -0.02 0.00 -0.43 -4.15 107.32 104.06 1xpn s GLY 44 Ca 0.48 0.76 0.02 0.00 0.00 0.00 0.00 44.72 45.98 1xpn s GLY 44 CO 0.12 1.32 -0.09 0.14 0.00 0.00 0.00 173.10 174.59 1xpn s VAL 45 N -1.26 1.81 -0.24 1.40 1.01 -1.16 -1.70 120.40 120.26 1xpn s VAL 45 Ca 0.45 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1xpn s VAL 45 Cb -0.28 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1xpn s VAL 45 CO 0.35 -0.01 0.46 -0.63 0.00 0.00 0.00 175.10 175.27 1xpn s ILE 46 N 1.28 5.13 -0.36 2.22 1.01 0.14 0.28 121.20 130.90 1xpn s ILE 46 Ca -0.06 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 1xpn s ILE 46 Cb -0.19 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.59 1xpn s ILE 46 CO -0.06 0.16 0.11 0.20 0.00 0.00 0.00 174.94 175.35 1xpn s ASN 47 N 1.36 5.07 -0.04 3.58 0.02 0.39 -0.34 114.94 124.98 1xpn s ASN 47 Ca 0.20 -1.77 0.05 0.00 -1.02 0.00 0.00 52.86 50.32 1xpn s ASN 47 Cb -0.15 -1.76 -0.02 0.00 0.02 0.00 0.00 41.25 39.33 1xpn s ASN 47 CO 0.09 -0.42 -0.18 -0.83 0.02 0.00 0.00 177.10 175.77 1xpn s GLY 48 N 1.51 1.44 -0.09 0.66 0.00 0.23 0.19 107.32 111.26 1xpn s GLY 48 Ca 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1xpn s GLY 48 CO -0.03 -0.79 -0.23 -0.35 0.00 0.00 0.00 173.10 171.70 1xpn s ASP 49 N -0.62 2.94 -0.24 1.64 -1.08 -0.92 -0.51 116.67 117.87 1xpn s ASP 49 Ca 0.09 -0.52 -0.10 0.00 -0.52 0.00 0.00 52.55 51.50 1xpn s ASP 49 Cb -0.11 -1.25 -0.05 0.00 -1.46 0.00 0.00 42.92 40.06 1xpn s ASP 49 CO 0.00 0.16 0.14 -0.22 0.52 0.00 0.00 175.17 175.77 1xpn s LEU 50 N 0.29 3.93 -0.30 -1.34 2.96 0.10 -1.48 118.68 122.84 1xpn s LEU 50 Ca -0.16 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1xpn s LEU 50 Cb -0.17 -2.06 0.16 0.00 0.50 0.00 0.00 46.19 44.62 1xpn s LEU 50 CO 0.08 0.03 0.72 -0.72 -1.32 0.00 0.00 176.35 175.14 1xpn s TYR 51 N 1.25 -1.25 0.07 5.38 1.13 -0.91 -4.28 117.35 118.73 1xpn s TYR 51 Ca 0.07 1.82 0.03 0.00 -1.41 0.00 0.00 57.07 57.57 1xpn s TYR 51 Cb -0.14 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1xpn s TYR 51 CO 0.06 -0.65 0.07 -0.51 -2.51 0.00 0.00 175.55 172.01 1xpn s LEU 52 N 2.82 3.77 -0.19 -3.49 1.43 0.30 -4.22 118.68 119.10 1xpn s LEU 52 Ca 0.03 -0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1xpn s LEU 52 Cb -0.12 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 1xpn s LEU 52 CO -0.19 0.19 0.94 0.42 0.23 0.00 0.00 176.35 177.94 1xpn s THR 53 N -1.35 4.79 0.73 5.49 -4.23 -1.26 -1.44 115.64 118.37 1xpn s THR 53 Ca 0.28 1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 62.52 1xpn s THR 53 Cb -0.12 -4.23 0.03 0.00 1.34 0.00 0.00 72.50 69.52 1xpn s THR 53 CO 0.20 -0.06 1.08 -0.44 -0.54 0.00 0.00 174.62 174.86 1xpn s SER 54 N 1.19 5.11 0.54 3.99 0.01 0.15 -4.90 113.70 119.77 1xpn s SER 54 Ca 0.42 1.34 0.22 0.00 1.31 0.00 0.00 55.95 59.24 1xpn s SER 54 Cb -0.16 -2.16 1.46 0.00 0.21 0.00 0.00 66.02 65.37 1xpn s SER 54 CO 0.11 -1.58 2.16 0.00 0.41 0.00 0.00 173.24 174.33 1xpn h ALA 55 N -0.82 1.71 -0.00 1.44 0.00 -1.96 0.13 119.26 119.75 1xpn h ALA 55 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpn h ALA 55 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpn h ALA 55 CO 0.60 0.05 -0.01 -1.13 0.00 0.00 0.00 179.25 178.76 1xpn n SER 56 N -4.16 0.12 -0.09 0.00 3.41 -1.26 -4.88 113.62 106.76 1xpn n SER 56 Ca -0.03 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1xpn n SER 56 Cb 0.12 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.16 0.73 3.82 5.00 0.00 0.47 -5.08 105.19 111.29 1xpn n GLY 57 Ca 0.19 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.18 3.61 -0.40 4.61 0.00 -1.24 -4.86 121.76 121.29 1xpn s ALA 58 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1xpn s ALA 58 Cb 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.79 1xpn s ALA 58 CO 0.00 0.44 0.25 0.42 0.00 0.00 0.00 175.76 176.87 1xpn s ILE 59 N -1.85 4.56 -0.21 0.00 1.01 -1.26 0.31 121.20 123.76 1xpn s ILE 59 Ca 0.32 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1xpn s ILE 59 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1xpn s ILE 59 CO 0.24 -0.37 0.06 -1.58 0.00 0.00 0.00 174.94 173.29 1xpn s GLN 60 N 1.52 3.83 -0.00 2.79 0.74 -0.52 -4.93 119.66 123.09 1xpn s GLN 60 Ca 0.03 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 55.02 1xpn s GLN 60 Cb -0.21 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.64 1xpn s GLN 60 CO 0.05 0.08 0.36 0.87 -0.55 0.00 0.00 175.29 176.10 1xpn h LYS 61 N 7.35 -0.03 0.00 1.67 1.79 -1.85 0.87 116.57 126.37 1xpn h LYS 61 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1xpn h LYS 61 Cb 1.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1xpn h LYS 61 CO 0.64 -0.02 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 1xpn n GLY 62 N 0.93 2.12 3.58 3.86 0.00 -1.26 -3.42 105.19 110.99 1xpn n GLY 62 Ca -0.00 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 3.79 -1.58 2.61 2.01 -1.26 -4.00 115.64 117.20 1xpn s THR 63 Ca 0.00 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 1xpn s THR 63 Cb 0.00 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1xpn s THR 63 CO 0.00 0.59 0.25 0.59 -0.69 0.00 0.00 174.62 175.35 1xpn n ASN 64 N 2.39 -5.72 -4.69 3.53 3.02 -0.18 -4.97 115.26 108.64 1xpn n ASN 64 Ca -0.18 -0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 53.90 1xpn n ASN 64 Cb 0.53 -4.67 -0.09 0.00 -0.61 0.00 0.00 39.78 34.95 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xpn s THR 65 N -3.05 5.12 -0.28 3.41 2.01 -1.24 -4.81 115.64 116.79 1xpn s THR 65 Ca 0.12 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 1xpn s THR 65 Cb -0.05 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1xpn s THR 65 CO 0.15 0.45 0.85 -0.54 -0.69 0.00 0.00 174.62 174.85 1xpn s LYS 66 N 0.35 4.06 -0.27 4.92 1.02 -1.26 -0.64 119.74 127.91 1xpn s LYS 66 Ca 0.06 0.80 -0.16 0.00 0.02 0.00 0.00 55.97 56.69 1xpn s LYS 66 Cb -0.12 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1xpn s LYS 66 CO -0.01 -0.66 0.45 0.08 -0.92 0.00 0.00 175.35 174.29 1xpn s VAL 67 N 3.03 5.12 -0.32 3.17 1.01 0.14 -4.22 120.40 128.33 1xpn s VAL 67 Ca 0.36 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 1xpn s VAL 67 Cb -0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1xpn s VAL 67 CO 0.11 0.10 0.43 0.00 0.00 0.00 0.00 175.10 175.74 1xpn s ALA 68 N 2.20 3.51 -0.53 5.51 0.00 0.49 -0.58 121.76 132.36 1xpn s ALA 68 Ca 0.18 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1xpn s ALA 68 Cb -0.16 -2.87 0.12 0.00 0.00 0.00 0.00 23.12 20.21 1xpn s ALA 68 CO 0.10 -1.02 0.50 -1.17 0.00 0.00 0.00 175.76 174.17 1xpn s LEU 69 N 2.18 6.04 -0.10 0.00 2.96 0.80 -1.39 118.68 129.17 1xpn s LEU 69 Ca 0.15 -1.69 0.02 0.00 -0.22 0.00 0.00 54.13 52.39 1xpn s LEU 69 Cb -0.16 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1xpn s LEU 69 CO 0.12 -0.84 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.55 1xpn s GLU 70 N 1.68 3.04 0.21 1.98 2.02 -0.87 -2.39 118.70 124.36 1xpn s GLU 70 Ca 0.04 -0.71 -0.31 0.00 0.02 0.00 0.00 54.97 54.00 1xpn s GLU 70 Cb -0.29 -2.51 -0.11 0.00 0.10 0.00 0.00 34.13 31.33 1xpn s GLU 70 CO 0.04 0.35 1.65 -1.25 0.02 0.00 0.00 175.26 176.07 1xpn s PRO 71 N -0.03 4.16 -1.19 0.39 0.04 -1.26 -0.20 135.00 136.91 1xpn s PRO 71 Ca -0.04 2.52 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 1xpn s PRO 71 Cb -0.14 -3.09 0.08 0.00 0.04 0.00 0.00 34.50 31.39 1xpn s PRO 71 CO 0.04 -0.68 1.59 0.00 0.04 0.00 0.00 177.00 177.99 1xpn s ALA 72 N 0.91 3.20 0.63 8.56 0.00 -0.57 -4.74 121.76 129.76 1xpn s ALA 72 Ca 0.71 -2.75 -0.00 0.00 0.00 0.00 0.00 51.96 49.91 1xpn s ALA 72 Cb -0.47 -4.53 0.10 0.00 0.00 0.00 0.00 23.12 18.22 1xpn s ALA 72 CO 0.35 -3.33 0.69 0.25 0.00 0.00 0.00 175.76 173.72 1xpn n THR 73 N 6.33 0.00 0.02 0.00 -2.24 -1.26 -4.83 114.28 112.30 1xpn n THR 73 Ca 0.42 -1.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 1xpn n THR 73 Cb 0.47 -1.05 0.18 0.00 -2.10 0.00 0.00 70.33 67.84 1xpn n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xpn h SER 74 N -0.41 0.47 -0.20 3.42 4.64 -1.93 -1.80 113.55 117.74 1xpn h SER 74 Ca -0.23 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 60.73 1xpn h SER 74 Cb 0.84 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1xpn h SER 74 CO 0.24 0.77 -0.57 0.22 -0.87 0.00 0.00 176.83 176.62 1xpn h TYR 75 N 0.40 1.01 0.00 4.77 3.20 -1.92 -3.04 116.97 121.39 1xpn h TYR 75 Ca 0.05 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1xpn h TYR 75 Cb 0.75 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1xpn h TYR 75 CO 0.02 1.18 0.00 0.52 -1.64 0.00 0.00 178.16 178.25 1xpn h MET 76 N 0.61 0.00 -0.60 1.82 2.86 -1.83 -3.01 114.93 114.77 1xpn h MET 76 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1xpn h MET 76 Cb 1.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1xpn h MET 76 CO 0.12 0.00 0.22 -0.22 1.06 0.00 0.00 176.91 178.10 1xpn h LYS 77 N 0.00 0.91 -0.14 1.72 1.63 -1.20 0.24 116.57 119.72 1xpn h LYS 77 Ca 0.00 -0.17 -0.23 0.00 -0.85 0.00 0.00 60.65 59.40 1xpn h LYS 77 Cb 0.61 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1xpn h LYS 77 CO 0.00 0.78 -0.80 0.00 -3.45 0.00 0.00 179.45 175.98 1xpn h ALA 78 N 1.08 0.29 -0.57 5.00 0.00 -1.64 -2.67 119.26 120.75 1xpn h ALA 78 Ca 0.20 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1xpn h ALA 78 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xpn h ALA 78 CO -0.01 0.68 0.12 -0.92 0.00 0.00 0.00 179.25 179.12 1xpn h TYR 79 N 0.54 0.93 -0.25 0.00 3.20 -1.41 -2.19 116.97 117.79 1xpn h TYR 79 Ca -0.06 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.63 1xpn h TYR 79 Cb 1.44 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1xpn h TYR 79 CO 0.09 0.78 -0.21 -0.92 -1.64 0.00 0.00 178.16 176.26 1xpn h TYR 80 N 0.85 0.49 0.00 -3.82 3.20 -0.51 -2.50 116.97 114.69 1xpn h TYR 80 Ca 0.18 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1xpn h TYR 80 Cb 0.34 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1xpn h TYR 80 CO 0.02 0.63 -0.15 0.00 -1.64 0.00 0.00 178.16 177.02 1xpn h ALA 81 N 1.37 1.06 0.00 1.82 0.00 -1.04 -1.10 119.26 121.37 1xpn h ALA 81 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1xpn h ALA 81 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xpn h ALA 81 CO 0.04 0.19 -0.72 0.87 0.00 0.00 0.00 179.25 179.63 1xpn h LYS 82 N 0.00 0.00 0.00 0.00 1.57 -1.12 -3.45 116.57 113.57 1xpn h LYS 82 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xpn h LYS 82 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1xpn h LYS 82 CO 0.02 0.21 0.00 1.19 -0.57 0.00 0.00 179.45 180.30 1xpn n PHE 83 N -2.98 0.00 -3.92 -1.35 3.72 -1.00 -5.13 117.46 106.81 1xpn n PHE 83 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1xpn n PHE 83 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 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 2.45 0.39 3.60 1.37 0.00 -0.45 -4.64 105.19 107.91 1xpn n GLY 84 Ca 0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1xpn n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s ASN 85 N -4.00 6.18 -0.07 1.61 2.20 -1.26 -4.42 114.94 115.19 1xpn s ASN 85 Ca 0.00 0.20 -0.03 0.00 -0.94 0.00 0.00 52.86 52.09 1xpn s ASN 85 Cb 0.00 -2.18 0.04 0.00 -2.00 0.00 0.00 41.25 37.11 1xpn s ASN 85 CO 0.00 -0.14 0.13 -0.22 -2.94 0.00 0.00 177.10 173.93 1xpn s LEU 86 N 1.98 0.38 0.53 3.54 0.20 -0.03 -4.91 118.68 120.37 1xpn s LEU 86 Ca 0.13 0.27 -0.22 0.00 0.69 0.00 0.00 54.13 54.99 1xpn s LEU 86 Cb -0.16 0.23 -0.05 0.00 -0.43 0.00 0.00 46.19 45.78 1xpn s LEU 86 CO 0.10 -0.20 1.35 -0.62 -0.29 0.00 0.00 176.35 176.69 1xpn s ASP 87 N 1.71 5.37 0.54 3.68 -1.08 -1.26 -1.34 116.67 124.29 1xpn s ASP 87 Ca -0.03 2.74 0.32 0.00 -0.52 0.00 0.00 52.55 55.06 1xpn s ASP 87 Cb -0.12 -2.63 1.40 0.00 -1.46 0.00 0.00 42.92 40.11 1xpn s ASP 87 CO -0.05 -1.50 2.01 0.00 0.52 0.00 0.00 175.17 176.14 1xpn h ALA 88 N 1.55 1.04 0.00 3.66 0.00 -0.59 -2.28 119.26 122.64 1xpn h ALA 88 Ca -0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1xpn h ALA 88 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xpn h ALA 88 CO 0.58 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 1xpn h ALA 89 N 1.94 1.19 -0.23 0.00 0.00 -1.83 -2.30 119.26 118.04 1xpn h ALA 89 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1xpn h ALA 89 Cb 0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 1xpn h ALA 89 CO 0.01 0.11 -0.61 0.36 0.00 0.00 0.00 179.25 179.12 1xpn n LYS 90 N -3.46 2.18 -2.07 0.00 2.85 -0.86 -5.01 118.16 111.79 1xpn n LYS 90 Ca -0.02 -3.55 -0.41 0.00 -1.05 0.00 0.00 58.31 53.28 1xpn n LYS 90 Cb 0.23 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 32.79 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xpn s ARG 91 N -3.31 3.14 -0.17 -1.58 6.06 -0.87 -4.91 118.95 117.31 1xpn s ARG 91 Ca 0.42 1.09 -0.29 0.00 -2.50 0.00 0.00 55.73 54.44 1xpn s ARG 91 Cb 0.38 -4.23 -0.01 0.00 0.06 0.00 0.00 34.95 31.14 1xpn s ARG 91 CO -0.04 -2.10 1.29 0.34 -2.50 0.00 0.00 175.30 172.29 1xpn s ASP 92 N 6.42 6.90 -0.06 -2.12 2.15 -1.26 -4.89 116.67 123.81 1xpn s ASP 92 Ca 0.73 1.67 0.17 0.00 0.43 0.00 0.00 52.55 55.55 1xpn s ASP 92 Cb -0.18 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.49 1xpn s ASP 92 CO 0.29 -0.80 1.48 -0.81 -0.17 0.00 0.00 175.17 175.16 1xpn n PRO 93 N 6.71 2.97 -0.12 4.34 -0.04 -1.26 -4.41 135.00 143.19 1xpn n PRO 93 Ca 0.14 -2.35 -0.26 0.00 -0.04 0.00 0.00 63.50 60.99 1xpn n PRO 93 Cb 0.45 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.09 1.94 -4.58 3.54 2.03 -1.26 -4.79 116.55 114.52 1xpn n ASP 94 Ca 0.21 0.33 -0.41 0.00 0.52 0.00 0.00 54.79 55.44 1xpn n ASP 94 Cb 0.67 -0.84 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.47 3.62 0.07 5.18 1.01 -1.26 -4.98 120.40 121.57 1xpn s VAL 95 Ca -0.35 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1xpn s VAL 95 Cb 0.11 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1xpn s VAL 95 CO 0.54 -0.89 0.73 0.00 0.00 0.00 0.00 175.10 175.48 1xpn s GLN 96 N 5.86 4.46 -0.17 2.72 -2.07 -1.26 -5.03 119.66 124.18 1xpn s GLN 96 Ca 0.63 1.01 -0.29 0.00 -1.82 0.00 0.00 55.36 54.89 1xpn s GLN 96 Cb -0.14 -3.33 -0.02 0.00 -1.09 0.00 0.00 33.01 28.43 1xpn s GLN 96 CO 0.27 0.39 1.33 -2.14 -1.32 0.00 0.00 175.29 173.82 1xpn s PRO 97 N -0.42 4.18 0.71 9.60 0.02 -1.26 -5.02 135.00 142.81 1xpn s PRO 97 Ca 0.36 1.69 -0.14 0.00 0.02 0.00 0.00 61.00 62.93 1xpn s PRO 97 Cb -0.21 -3.81 0.03 0.00 0.02 0.00 0.00 34.50 30.53 1xpn s PRO 97 CO 0.23 -0.79 1.15 -2.14 -0.33 0.00 0.00 177.00 175.12 1xpn s PRO 98 N 3.68 2.41 -0.48 5.54 0.02 -1.26 -4.93 135.00 139.98 1xpn s PRO 98 Ca 0.58 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.85 1xpn s PRO 98 Cb -0.23 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1xpn s PRO 98 CO 0.18 -1.58 1.76 0.08 -0.33 0.00 0.00 177.00 177.11 1xpn s VAL 99 N -2.26 3.49 0.66 3.83 1.01 -1.26 -4.98 120.40 120.88 1xpn s VAL 99 Ca 0.69 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1xpn s VAL 99 Cb -0.24 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.31 1xpn s VAL 99 CO 0.45 -0.72 0.95 -0.76 0.00 0.00 0.00 175.10 175.02 1xpn s LEU 100 N 7.67 2.97 0.29 3.92 1.43 -1.26 -5.01 118.68 128.68 1xpn s LEU 100 Ca 0.71 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.91 1xpn s LEU 100 Cb -0.16 -3.12 -0.11 0.00 0.03 0.00 0.00 46.19 42.83 1xpn s LEU 100 CO 0.27 -1.43 1.53 -0.62 0.23 0.00 0.00 176.35 176.33 1xpn s ASP 101 N -4.47 6.46 0.25 2.29 -1.08 -1.26 -4.87 116.67 113.99 1xpn s ASP 101 Ca 0.59 2.88 0.15 0.00 -0.52 0.00 0.00 52.55 55.65 1xpn s ASP 101 Cb -0.11 -2.64 0.83 0.00 -1.46 0.00 0.00 42.92 39.55 1xpn s ASP 101 CO 0.43 -0.84 1.44 -2.65 0.52 0.00 0.00 175.17 174.08 1xpn n PRO 102 N 1.96 0.10 0.15 4.34 -0.02 -1.26 -1.98 135.00 138.29 1xpn n PRO 102 Ca 0.07 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.31 1xpn n PRO 102 Cb 0.38 -1.88 0.78 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.52 -0.52 2.47 -1.97 -1.70 114.38 112.13 1xpn h ARG 103 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1xpn h ARG 103 Cb 0.11 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 1xpn h ARG 103 CO 0.00 0.00 0.35 0.00 0.56 0.00 0.00 179.97 180.88 1xpn h ARG 104 N 0.00 0.54 0.00 0.04 3.08 -1.77 -0.76 114.38 115.51 1xpn h ARG 104 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1xpn h ARG 104 Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1xpn h ARG 104 CO -0.00 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 1xpn h ALA 105 N 1.70 1.00 0.06 0.04 0.00 -1.56 0.25 119.26 120.75 1xpn h ALA 105 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.76 1xpn h ALA 105 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xpn h ALA 105 CO -0.06 0.00 -2.18 2.41 0.00 0.00 0.00 179.25 179.42 1xpn n THR 106 N -3.02 1.63 0.03 0.00 -1.04 -0.33 -4.56 114.28 106.98 1xpn n THR 106 Ca -0.02 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.05 61.22 1xpn n THR 106 Cb 0.13 -1.44 -0.14 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.03 0.18 -2.85 -1.42 0.05 -0.92 -3.43 116.97 108.60 1xpn h TYR 107 Ca -0.48 -0.13 -0.55 0.00 0.05 0.00 0.00 58.73 57.63 1xpn h TYR 107 Cb 2.00 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.68 1xpn h TYR 107 CO 0.05 1.17 1.12 0.08 -1.05 0.00 0.00 178.16 179.53 1xpn s VAL 108 N -2.63 3.76 -0.15 -2.88 1.01 0.82 -4.81 120.40 115.52 1xpn s VAL 108 Ca -0.06 0.68 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1xpn s VAL 108 Cb 0.08 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1xpn s VAL 108 CO 0.83 -1.00 0.38 -0.13 0.00 0.00 0.00 175.10 175.17 1xpn s ARG 109 N 5.50 4.27 -0.16 2.72 0.52 -1.01 -4.90 118.95 125.89 1xpn s ARG 109 Ca 0.57 0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1xpn s ARG 109 Cb -0.12 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 1xpn s ARG 109 CO 0.27 0.16 -0.14 -1.21 0.02 0.00 0.00 175.30 174.40 1xpn s GLU 110 N 0.68 3.24 -0.20 3.54 2.02 -1.26 -0.14 118.70 126.58 1xpn s GLU 110 Ca 0.20 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1xpn s GLU 110 Cb -0.14 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 1xpn s GLU 110 CO 0.07 -0.02 -0.04 0.00 0.02 0.00 0.00 175.26 175.29 1xpn s ALA 111 N 0.91 2.85 -0.27 5.21 0.00 0.26 -4.89 121.76 125.83 1xpn s ALA 111 Ca -0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 1xpn s ALA 111 Cb -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1xpn s ALA 111 CO -0.01 -0.22 0.49 0.99 0.00 0.00 0.00 175.76 177.00 1xpn s THR 112 N 1.12 5.09 0.12 0.00 2.01 -1.26 0.27 115.64 122.98 1xpn s THR 112 Ca 0.02 0.76 -0.31 0.00 0.31 0.00 0.00 61.69 62.47 1xpn s THR 112 Cb -0.15 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1xpn s THR 112 CO -0.00 0.07 1.62 0.42 -0.69 0.00 0.00 174.62 176.04 1xpn s THR 113 N 2.27 2.79 0.00 -0.82 -4.23 0.19 -4.86 115.64 110.97 1xpn s THR 113 Ca 0.20 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1xpn s THR 113 Cb -0.16 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1xpn s THR 113 CO 0.10 0.02 0.00 0.47 -0.54 0.00 0.00 174.62 174.66 1xpn n ASP 114 N 4.79 0.00 -0.02 3.99 8.00 -1.09 -1.01 116.55 131.22 1xpn n ASP 114 Ca 0.15 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.63 1xpn n ASP 114 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1xpn n ASP 114 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1xpn n GLN 115 N 0.00 0.10 -0.03 -1.24 7.27 -1.26 -3.69 117.38 118.53 1xpn n GLN 115 Ca 0.00 0.10 0.06 0.00 0.07 0.00 0.00 57.00 57.24 1xpn n GLN 115 Cb 0.00 -0.74 0.33 0.00 2.41 0.00 0.00 30.24 32.24 1xpn n GLN 115 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1xpn n ASN 116 N -2.85 0.38 -1.06 1.69 6.94 -1.26 -4.75 115.26 114.35 1xpn n ASN 116 Ca -0.02 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 1xpn n ASN 116 Cb 0.09 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xpn n GLY 117 N 0.77 0.67 3.06 4.83 0.00 -1.26 -4.73 105.19 108.54 1xpn n GLY 117 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.09 0.53 0.20 1.61 3.52 -1.26 0.00 118.95 120.46 1xpn s ARG 118 Ca 0.00 -0.85 -0.17 0.00 -0.13 0.00 0.00 55.73 54.58 1xpn s ARG 118 Cb 0.00 -0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1xpn s ARG 118 CO 0.00 0.00 0.52 -0.59 -0.81 0.00 0.00 175.30 174.43 1xpn s PHE 119 N -1.95 -0.10 0.09 5.12 -0.71 0.34 -2.67 117.98 118.10 1xpn s PHE 119 Ca -0.07 -0.25 -0.14 0.00 -1.04 0.00 0.00 56.93 55.43 1xpn s PHE 119 Cb -0.06 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1xpn s PHE 119 CO -0.02 -0.93 0.33 0.16 -1.34 0.00 0.00 175.22 173.43 1xpn s ASP 120 N -2.88 -0.13 -0.01 1.98 1.47 -1.26 -0.60 116.67 115.24 1xpn s ASP 120 Ca 0.10 -0.34 -0.01 0.00 1.18 0.00 0.00 52.55 53.47 1xpn s ASP 120 Cb -0.01 0.41 0.00 0.00 -0.34 0.00 0.00 42.92 42.99 1xpn s ASP 120 CO -0.02 -0.76 0.03 -0.36 0.68 0.00 0.00 175.17 174.74 1xpn s PHE 121 N -3.45 -0.03 0.34 2.11 0.08 0.54 -4.99 117.98 112.59 1xpn s PHE 121 Ca 0.01 0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.21 1xpn s PHE 121 Cb 0.02 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 1xpn s PHE 121 CO -0.09 -0.02 0.17 0.16 -0.10 0.00 0.00 175.22 175.33 1xpn s ASP 122 N -0.02 4.75 -0.61 1.36 1.47 -1.26 -0.68 116.67 121.68 1xpn s ASP 122 Ca -0.00 -0.75 -0.01 0.00 1.18 0.00 0.00 52.55 52.97 1xpn s ASP 122 Cb -0.00 -0.74 0.00 0.00 -0.34 0.00 0.00 42.92 41.83 1xpn s ASP 122 CO 0.00 -0.32 0.59 1.41 0.68 0.00 0.00 175.17 177.53 1xpn n HIS 123 N -1.19 -2.57 -4.02 2.11 8.25 -1.13 -4.98 115.22 111.69 1xpn n HIS 123 Ca -0.03 0.98 -0.31 0.00 -0.26 0.00 0.00 57.72 58.10 1xpn n HIS 123 Cb 0.61 -3.72 -0.15 0.00 1.12 0.00 0.00 29.99 27.85 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 1.97 0.33 1.59 -1.09 -0.69 -4.72 121.20 115.63 1xpn s ILE 124 Ca 0.02 -1.61 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 1xpn s ILE 124 Cb -0.00 -2.18 -0.11 0.00 -1.58 0.00 0.00 42.46 38.59 1xpn s ILE 124 CO 0.64 -0.14 1.53 -2.16 -1.23 0.00 0.00 174.94 173.57 1xpn s PRO 125 N 1.17 4.13 0.16 2.79 0.04 -1.26 -1.32 135.00 140.72 1xpn s PRO 125 Ca -0.05 2.54 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 1xpn s PRO 125 Cb -0.19 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 1xpn s PRO 125 CO -0.06 -0.56 1.48 -0.80 0.04 0.00 0.00 177.00 177.10 1xpn s ASN 126 N 0.16 6.69 0.00 6.66 -0.87 -1.26 -4.88 114.94 121.44 1xpn s ASN 126 Ca 0.58 2.52 0.00 0.00 -1.57 0.00 0.00 52.86 54.39 1xpn s ASN 126 Cb -0.47 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.17 1xpn s ASN 126 CO 0.55 -0.74 0.00 0.61 -2.57 0.00 0.00 177.10 174.95 1xpn n GLY 127 N 3.35 -0.81 3.66 0.66 0.00 -0.64 -4.99 105.19 106.43 1xpn n GLY 127 Ca 0.12 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 4.72 0.05 2.61 -4.23 -1.26 -0.92 115.64 113.61 1xpn s THR 128 Ca 0.00 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1xpn s THR 128 Cb 0.00 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1xpn s THR 128 CO 0.00 0.51 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.20 1xpn s TYR 129 N -0.03 0.73 -0.39 3.99 1.51 0.65 -1.51 117.35 122.30 1xpn s TYR 129 Ca 0.06 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.43 1xpn s TYR 129 Cb -0.12 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1xpn s TYR 129 CO 0.01 -0.09 0.25 0.71 -1.11 0.00 0.00 175.55 175.33 1xpn s TYR 130 N -1.69 3.24 -0.47 2.71 2.02 0.72 -0.78 117.35 123.10 1xpn s TYR 130 Ca -0.06 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 55.74 1xpn s TYR 130 Cb -0.08 -2.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1xpn s TYR 130 CO -0.00 -0.59 0.58 0.42 -1.57 0.00 0.00 175.55 174.39 1xpn s ILE 131 N 1.63 4.92 -0.07 2.71 1.01 -0.30 -2.06 121.20 129.04 1xpn s ILE 131 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1xpn s ILE 131 Cb -0.19 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 1xpn s ILE 131 CO 0.09 -0.66 -0.16 -0.55 0.00 0.00 0.00 174.94 173.66 1xpn s SER 132 N 2.30 3.87 -0.00 3.58 0.15 -0.49 -0.10 113.70 123.01 1xpn s SER 132 Ca 0.16 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1xpn s SER 132 Cb -0.17 -1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1xpn s SER 132 CO 0.14 0.28 -0.02 -0.44 1.20 0.00 0.00 173.24 174.40 1xpn s SER 133 N -0.33 0.22 -0.88 5.45 0.01 -0.84 -0.38 113.70 116.95 1xpn s SER 133 Ca 0.03 -0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 1xpn s SER 133 Cb -0.13 -0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.20 1xpn s SER 133 CO 0.02 0.02 1.07 -1.61 0.41 0.00 0.00 173.24 173.16 1xpn s GLU 134 N -0.02 3.52 -0.38 12.44 0.41 -1.26 -0.69 118.70 132.72 1xpn s GLU 134 Ca 0.00 -1.66 0.02 0.00 -0.41 0.00 0.00 54.97 52.92 1xpn s GLU 134 Cb -0.01 -4.79 0.11 0.00 -1.78 0.00 0.00 34.13 27.67 1xpn s GLU 134 CO -0.00 -1.75 0.13 -1.17 -0.49 0.00 0.00 175.26 171.98 1xpn s LEU 135 N 2.74 3.50 0.01 1.80 2.96 -0.07 -4.86 118.68 124.76 1xpn s LEU 135 Ca 0.30 -2.21 0.04 0.00 -0.22 0.00 0.00 54.13 52.03 1xpn s LEU 135 Cb -0.07 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1xpn s LEU 135 CO -0.06 -0.35 -0.12 0.28 -1.32 0.00 0.00 176.35 174.78 1xpn s THR 136 N 0.84 0.93 0.05 3.68 -1.32 -1.26 -1.24 115.64 117.33 1xpn s THR 136 Ca 0.13 -0.72 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 1xpn s THR 136 Cb -0.21 -0.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1xpn s THR 136 CO -0.10 0.10 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.70 1xpn s TRP 137 N -0.57 0.57 0.02 9.09 -2.14 0.85 -4.93 118.94 121.82 1xpn s TRP 137 Ca 0.02 -0.78 0.02 0.00 2.66 0.00 0.00 56.10 58.03 1xpn s TRP 137 Cb -0.06 -0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 29.90 1xpn s TRP 137 CO 0.00 -0.22 -0.00 -1.54 -2.66 0.00 0.00 176.95 172.53 1xpn s SER 138 N -2.29 5.07 0.07 -2.66 1.04 -1.26 0.24 113.70 113.91 1xpn s SER 138 Ca -0.01 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1xpn s SER 138 Cb -0.01 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.79 1xpn s SER 138 CO -0.04 0.25 -0.08 0.00 0.98 0.00 0.00 173.24 174.35 1xpn s ALA 139 N -1.14 0.83 -0.57 5.32 0.00 -0.43 -4.94 121.76 120.82 1xpn s ALA 139 Ca 0.21 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1xpn s ALA 139 Cb -0.12 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1xpn s ALA 139 CO 0.12 -0.12 0.76 -0.65 0.00 0.00 0.00 175.76 175.88 1xpn s GLN 140 N -2.74 3.12 -0.18 0.00 -1.52 -1.26 0.01 119.66 117.09 1xpn s GLN 140 Ca 0.02 -0.96 -0.05 0.00 -1.95 0.00 0.00 55.36 52.42 1xpn s GLN 140 Cb -0.02 -4.18 -0.03 0.00 -0.22 0.00 0.00 33.01 28.56 1xpn s GLN 140 CO -0.02 -1.49 0.00 0.45 -0.25 0.00 0.00 175.29 173.98 1xpn s SER 141 N 3.25 5.00 0.00 5.90 0.15 0.15 -4.84 113.70 123.30 1xpn s SER 141 Ca 0.17 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1xpn s SER 141 Cb -0.20 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1xpn s SER 141 CO 0.10 0.13 0.00 -0.67 1.20 0.00 0.00 173.24 174.00 1xpn n ASP 142 N 3.83 0.00 -0.49 5.45 2.03 -1.26 -0.94 116.55 125.17 1xpn n ASP 142 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1xpn n ASP 142 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 1.00 3.21 0.27 0.00 -1.26 -5.13 105.19 103.27 1xpn n GLY 143 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.93 -0.38 1.61 1.02 -0.11 -5.12 119.74 117.69 1xpn s LYS 144 Ca 0.00 -1.37 -0.19 0.00 0.02 0.00 0.00 55.97 54.43 1xpn s LYS 144 Cb 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 1xpn s LYS 144 CO 0.00 0.03 0.53 0.99 -0.92 0.00 0.00 175.35 175.99 1xpn s THR 145 N -3.38 4.98 0.32 2.17 2.01 -1.26 -0.68 115.64 119.80 1xpn s THR 145 Ca 0.13 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1xpn s THR 145 Cb 0.03 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1xpn s THR 145 CO -0.02 -0.32 0.47 0.27 -0.69 0.00 0.00 174.62 174.33 1xpn s ILE 146 N 2.46 4.64 -0.18 1.82 -4.36 0.10 -4.89 121.20 120.79 1xpn s ILE 146 Ca 0.19 -0.84 -0.02 0.00 -0.26 0.00 0.00 60.65 59.72 1xpn s ILE 146 Cb -0.15 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 39.90 1xpn s ILE 146 CO 0.14 -0.30 -0.09 -0.89 0.24 0.00 0.00 174.94 174.04 1xpn s THR 147 N -2.18 3.12 -0.19 8.37 2.01 -1.26 -1.32 115.64 124.19 1xpn s THR 147 Ca 0.41 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1xpn s THR 147 Cb -0.09 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1xpn s THR 147 CO 0.32 0.48 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.95 1xpn s GLU 148 N 1.02 3.07 0.00 4.92 2.02 0.14 -4.65 118.70 125.22 1xpn s GLU 148 Ca -0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1xpn s GLU 148 Cb -0.15 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1xpn s GLU 148 CO -0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1xpn n GLY 149 N 4.66 0.61 0.00 -1.39 0.00 -1.26 -0.11 105.19 107.70 1xpn n GLY 149 Ca -0.20 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.13 -0.58 3.52 -0.02 0.00 -0.37 0.21 105.19 107.82 1xpn n GLY 150 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.28 4.14 -0.69 2.61 -4.23 -0.45 -0.89 115.64 114.84 1xpn s THR 151 Ca 0.00 0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.56 1xpn s THR 151 Cb 0.00 -4.71 0.11 0.00 1.34 0.00 0.00 72.50 69.24 1xpn s THR 151 CO 0.00 -1.44 0.85 0.54 -0.54 0.00 0.00 174.62 174.03 1xpn s VAL 152 N 4.60 4.75 -0.38 2.29 0.11 0.13 -0.85 120.40 131.06 1xpn s VAL 152 Ca 0.31 -1.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 1xpn s VAL 152 Cb -0.12 -4.59 0.01 0.00 -1.53 0.00 0.00 36.38 30.16 1xpn s VAL 152 CO 0.17 -1.27 0.26 -0.89 -3.33 0.00 0.00 175.10 170.04 1xpn s THR 153 N 2.80 5.09 -0.11 5.04 2.01 -1.25 -1.99 115.64 127.23 1xpn s THR 153 Ca 0.18 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 1xpn s THR 153 Cb -0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1xpn s THR 153 CO 0.03 -0.21 -0.05 -0.75 -0.69 0.00 0.00 174.62 172.95 1xpn s LYS 154 N 1.66 3.20 -0.54 4.92 2.20 0.86 -4.38 119.74 127.67 1xpn s LYS 154 Ca 0.05 -0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1xpn s LYS 154 Cb -0.19 -2.75 0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1xpn s LYS 154 CO 0.09 0.47 1.16 -1.17 -0.36 0.00 0.00 175.35 175.54 1xpn s LEU 155 N -0.27 3.55 -0.12 5.43 2.96 -1.26 -1.15 118.68 127.83 1xpn s LEU 155 Ca 0.04 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1xpn s LEU 155 Cb -0.13 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1xpn s LEU 155 CO 0.02 -1.37 -0.01 -0.69 -1.32 0.00 0.00 176.35 172.98 1xpn s VAL 156 N 4.70 4.23 -0.25 1.68 1.01 0.04 -4.97 120.40 126.84 1xpn s VAL 156 Ca 0.45 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1xpn s VAL 156 Cb -0.07 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.56 1xpn s VAL 156 CO 0.28 0.55 -0.05 -0.89 0.00 0.00 0.00 175.10 174.99 1xpn s THR 157 N -0.36 1.74 -0.71 3.92 2.01 -1.26 -0.25 115.64 120.72 1xpn s THR 157 Ca 0.07 -1.44 -0.19 0.00 0.31 0.00 0.00 61.69 60.43 1xpn s THR 157 Cb -0.12 -2.00 0.11 0.00 0.01 0.00 0.00 72.50 70.50 1xpn s THR 157 CO 0.02 -0.15 0.88 -0.69 -0.69 0.00 0.00 174.62 174.00 1xpn s VAL 158 N 1.28 4.73 0.01 3.82 1.01 -0.10 -4.85 120.40 126.30 1xpn s VAL 158 Ca -0.05 -1.10 0.11 0.00 0.00 0.00 0.00 61.98 60.95 1xpn s VAL 158 Cb -0.19 -4.61 -0.22 0.00 0.00 0.00 0.00 36.38 31.36 1xpn s VAL 158 CO -0.07 -1.30 0.88 0.28 0.00 0.00 0.00 175.10 174.89 1xpn h SER 159 N 9.09 0.00 -3.99 3.32 0.02 -1.95 -1.69 113.55 118.34 1xpn h SER 159 Ca -0.15 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.11 1xpn h SER 159 Cb 1.06 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.37 1xpn h SER 159 CO 1.10 0.98 -0.77 -0.83 -1.14 0.00 0.00 176.83 176.17 1xpn s GLY 160 N -4.96 1.54 -1.05 -3.77 0.00 -1.26 -4.95 107.32 92.87 1xpn s GLY 160 Ca -0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 1xpn s GLY 160 CO 0.82 -0.74 3.03 1.44 0.00 0.00 0.00 173.10 177.65 1xpn n SER 161 N 2.35 7.54 -4.11 1.64 7.64 -1.26 -4.76 113.62 122.66 1xpn n SER 161 Ca -0.17 -2.70 -0.17 0.00 1.01 0.00 0.00 58.87 56.84 1xpn n SER 161 Cb 0.52 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.16 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 0.97 1.51 -0.42 1.43 -0.21 -1.26 -4.54 119.66 117.14 1xpn s GLN 162 Ca 0.66 -1.84 -0.31 0.00 0.02 0.00 0.00 55.36 53.88 1xpn s GLN 162 Cb 0.24 -0.13 -0.10 0.00 1.00 0.00 0.00 33.01 34.02 1xpn s GLN 162 CO -0.06 -0.40 2.31 -2.30 -2.12 0.00 0.00 175.29 172.72 1xpn n PRO 163 N -0.52 1.14 -3.59 2.91 -0.02 -1.26 -3.00 135.00 130.65 1xpn n PRO 163 Ca 0.01 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 1xpn n PRO 163 Cb 0.65 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 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 7.04 2.61 -0.45 -0.52 2.00 0.14 -4.97 119.66 125.51 1xpn s GLN 164 Ca 1.08 -1.47 -0.27 0.00 -2.00 0.00 0.00 55.36 52.69 1xpn s GLN 164 Cb -0.63 -3.80 0.03 0.00 0.80 0.00 0.00 33.01 29.41 1xpn s GLN 164 CO 0.41 -0.97 1.04 0.21 -0.50 0.00 0.00 175.29 175.48 1xpn s LYS 165 N 1.43 3.69 -0.32 1.67 2.20 -1.26 -0.46 119.74 126.69 1xpn s LYS 165 Ca 0.03 0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 56.01 1xpn s LYS 165 Cb -0.23 -3.89 0.01 0.00 -1.51 0.00 0.00 37.83 32.20 1xpn s LYS 165 CO 0.02 -1.26 0.14 0.08 -0.36 0.00 0.00 175.35 173.97 1xpn s VAL 166 N 4.07 4.34 -0.59 4.02 1.01 0.13 -4.94 120.40 128.45 1xpn s VAL 166 Ca 0.43 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 1xpn s VAL 166 Cb -0.09 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1xpn s VAL 166 CO 0.28 -0.00 0.88 -0.76 0.00 0.00 0.00 175.10 175.49 1xpn s LEU 167 N 1.55 4.45 -0.87 3.92 1.43 -1.26 -2.17 118.68 125.72 1xpn s LEU 167 Ca 0.03 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 1xpn s LEU 167 Cb -0.18 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.53 1xpn s LEU 167 CO 0.05 -1.25 1.31 -0.22 0.23 0.00 0.00 176.35 176.46 1xpn s LEU 168 N 3.69 3.62 0.30 1.79 2.96 -0.55 -4.90 118.68 125.59 1xpn s LEU 168 Ca 0.23 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 1xpn s LEU 168 Cb -0.16 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.01 1xpn s LEU 168 CO 0.13 -1.58 0.65 0.28 -1.32 0.00 0.00 176.35 174.52 1xpn s THR 169 N 4.94 0.00 0.00 3.68 -1.32 -1.26 -2.13 115.64 119.55 1xpn s THR 169 Ca 0.38 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1xpn s THR 169 Cb -0.05 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1xpn s THR 169 CO 0.01 0.00 0.42 -1.14 -2.21 0.00 0.00 174.62 171.71