#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvc s LEU 2 N 0.00 4.35 0.13 0.99 2.96 -1.26 -4.96 118.68 120.89 1pvc s LEU 2 Ca 0.00 2.37 -0.31 0.00 -0.22 0.00 0.00 54.13 55.96 1pvc s LEU 2 Cb 0.00 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 1pvc s LEU 2 CO 0.00 -0.86 1.60 -2.84 -1.32 0.00 0.00 176.35 172.94 1pvc s PRO 3 N 2.80 4.21 0.17 0.98 0.02 -1.26 -5.02 135.00 136.91 1pvc s PRO 3 Ca 0.72 2.36 0.06 0.00 0.02 0.00 0.00 61.00 64.15 1pvc s PRO 3 Cb -0.37 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.80 1pvc s PRO 3 CO 0.31 -0.65 -0.12 0.14 -0.33 0.00 0.00 177.00 176.34 1pvc s VAL 4 N 1.66 1.43 -0.06 3.83 -7.23 -1.26 -5.15 120.40 113.62 1pvc s VAL 4 Ca 0.72 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1pvc s VAL 4 Cb -0.43 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1pvc s VAL 4 CO 0.32 -0.65 0.01 -0.22 -0.31 0.00 0.00 175.10 174.24 1pvc s LEU 5 N -3.17 0.63 0.06 1.32 0.20 -1.26 -5.13 118.68 111.34 1pvc s LEU 5 Ca 0.18 -0.06 -0.30 0.00 0.69 0.00 0.00 54.13 54.64 1pvc s LEU 5 Cb 0.00 -0.39 -0.05 0.00 -0.43 0.00 0.00 46.19 45.32 1pvc s LEU 5 CO 0.03 -0.18 1.14 0.20 -0.29 0.00 0.00 176.35 177.25 1pvc s ASN 6 N 1.84 7.17 0.43 3.68 0.01 -1.26 -5.05 114.94 121.76 1pvc s ASN 6 Ca 0.03 1.94 0.05 0.00 -0.71 0.00 0.00 52.86 54.17 1pvc s ASN 6 Cb -0.12 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.96 1pvc s ASN 6 CO -0.04 -0.39 0.60 0.42 -1.51 0.00 0.00 177.10 176.17 1pvc s THR 7 N 0.89 3.35 0.36 1.60 -4.23 -1.26 -5.00 115.64 111.35 1pvc s THR 7 Ca 0.56 -0.87 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1pvc s THR 7 Cb -0.28 -3.17 -0.13 0.00 1.34 0.00 0.00 72.50 70.27 1pvc s THR 7 CO 0.30 -0.08 0.89 -2.65 -0.54 0.00 0.00 174.62 172.53 1pvc n PRO 8 N -1.92 1.13 0.00 3.99 -0.02 -1.26 -2.07 135.00 134.85 1pvc n PRO 8 Ca 0.05 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1pvc n PRO 8 Cb 0.59 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1pvc n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvc n GLY 9 N 1.36 2.96 3.62 -1.23 0.00 -1.26 -5.05 105.19 105.59 1pvc n GLY 9 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.62 1pvc n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pvc n SER 10 N 0.00 2.15 -0.13 1.61 7.64 -0.88 -2.04 113.62 121.97 1pvc n SER 10 Ca 0.00 1.10 -0.02 0.00 1.01 0.00 0.00 58.87 60.96 1pvc n SER 10 Cb 0.00 -1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 61.94 1pvc n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pvc n ASN 11 N 3.12 -4.04 -4.91 6.43 3.02 -1.26 -5.03 115.26 112.59 1pvc n ASN 11 Ca 0.19 0.04 -0.27 0.00 -0.03 0.00 0.00 54.58 54.51 1pvc n ASN 11 Cb 0.22 -1.69 0.07 0.00 -0.61 0.00 0.00 39.78 37.76 1pvc n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pvc s GLN 12 N -1.15 2.30 -0.22 3.52 -2.07 -0.87 -5.07 119.66 116.09 1pvc s GLN 12 Ca 0.00 -0.02 0.01 0.00 -1.82 0.00 0.00 55.36 53.53 1pvc s GLN 12 Cb 0.00 -2.10 0.05 0.00 -1.09 0.00 0.00 33.01 29.88 1pvc s GLN 12 CO 0.00 -1.25 -0.07 -0.47 -1.32 0.00 0.00 175.29 172.18 1pvc s TYR 13 N -3.33 2.42 -0.27 9.60 5.04 -1.26 -5.11 117.35 124.45 1pvc s TYR 13 Ca 0.60 -1.72 -0.14 0.00 -2.44 0.00 0.00 57.07 53.37 1pvc s TYR 13 Cb -0.11 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 1pvc s TYR 13 CO 0.47 -0.77 0.32 -1.17 -1.34 0.00 0.00 175.55 173.06 1pvc s LEU 14 N 1.39 4.04 0.15 6.97 2.96 -1.26 -4.97 118.68 127.95 1pvc s LEU 14 Ca -0.05 0.21 0.16 0.00 -0.22 0.00 0.00 54.13 54.23 1pvc s LEU 14 Cb -0.18 -2.34 0.73 0.00 0.50 0.00 0.00 46.19 44.90 1pvc s LEU 14 CO -0.07 -0.14 1.49 0.35 -1.32 0.00 0.00 176.35 176.66 1pvc n THR 15 N 5.08 1.15 -0.96 3.68 -2.24 -1.26 -1.57 114.28 118.17 1pvc n THR 15 Ca -0.10 0.39 0.06 0.00 -2.27 0.00 0.00 64.05 62.14 1pvc n THR 15 Cb 0.51 -1.30 0.35 0.00 -2.10 0.00 0.00 70.33 67.79 1pvc n THR 15 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pvc n SER 16 N -1.89 5.07 -3.99 3.42 3.41 -1.26 -5.00 113.62 113.37 1pvc n SER 16 Ca 0.01 -3.00 -0.30 0.00 -0.26 0.00 0.00 58.87 55.33 1pvc n SER 16 Cb 0.13 -0.65 0.21 0.00 -0.26 0.00 0.00 64.21 63.64 1pvc n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pvc s ASP 17 N -1.20 2.07 -0.40 4.04 -4.77 -0.61 -5.04 116.67 110.77 1pvc s ASP 17 Ca 0.51 0.46 0.03 0.00 -3.30 0.00 0.00 52.55 50.25 1pvc s ASP 17 Cb 0.40 -0.61 0.16 0.00 -1.09 0.00 0.00 42.92 41.78 1pvc s ASP 17 CO 0.13 -3.40 0.38 0.21 0.70 0.00 0.00 175.17 173.20 1pvc s ASN 18 N -4.40 1.25 0.29 2.11 2.47 -1.26 -5.09 114.94 110.30 1pvc s ASN 18 Ca 0.72 -2.11 0.03 0.00 0.42 0.00 0.00 52.86 51.93 1pvc s ASN 18 Cb -0.07 0.28 -0.06 0.00 -1.45 0.00 0.00 41.25 39.96 1pvc s ASN 18 CO 0.54 -0.22 0.05 -1.00 -3.72 0.00 0.00 177.10 172.75 1pvc s HIS 19 N 0.93 1.79 0.48 0.43 3.76 -1.26 -5.15 115.29 116.28 1pvc s HIS 19 Ca 0.23 -0.98 -0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1pvc s HIS 19 Cb -0.10 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1pvc s HIS 19 CO -0.07 -0.06 0.82 -0.65 -0.85 0.00 0.00 174.74 173.93 1pvc s GLN 20 N -3.91 3.60 0.07 1.40 -0.21 -1.26 -5.12 119.66 114.25 1pvc s GLN 20 Ca 0.35 0.34 -0.19 0.00 0.02 0.00 0.00 55.36 55.88 1pvc s GLN 20 Cb 0.08 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.79 1pvc s GLN 20 CO 0.14 -0.22 0.44 -1.54 -2.12 0.00 0.00 175.29 171.99 1pvc s SER 21 N -3.90 -0.31 0.44 5.90 1.04 -1.26 -5.15 113.70 110.46 1pvc s SER 21 Ca 0.49 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.61 1pvc s SER 21 Cb -0.10 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.40 1pvc s SER 21 CO 0.43 -0.75 1.37 -2.16 0.98 0.00 0.00 173.24 173.12 1pvc s PRO 22 N -2.93 3.76 -0.14 4.02 0.04 -1.26 -4.97 135.00 133.52 1pvc s PRO 22 Ca -0.02 2.30 -0.26 0.00 0.04 0.00 0.00 61.00 63.06 1pvc s PRO 22 Cb 0.00 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 1pvc s PRO 22 CO -0.06 -0.71 0.87 0.00 0.04 0.00 0.00 177.00 177.14 1pvc h ALA 24 N 7.20 0.91 -3.00 0.00 0.00 -2.09 -3.35 119.26 118.94 1pvc h ALA 24 Ca -0.31 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1pvc h ALA 24 Cb 1.14 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.48 1pvc h ALA 24 CO 0.83 0.28 -0.63 0.42 0.00 0.00 0.00 179.25 180.16 1pvc s ILE 25 N -3.35 2.55 0.54 0.00 1.01 -1.26 -5.10 121.20 115.59 1pvc s ILE 25 Ca 0.03 -4.04 -0.20 0.00 0.00 0.00 0.00 60.65 56.44 1pvc s ILE 25 Cb 0.08 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 1pvc s ILE 25 CO 0.66 -1.03 1.15 -2.16 0.00 0.00 0.00 174.94 173.57 1pvc s PRO 26 N -1.23 3.34 -1.76 2.79 0.04 -1.26 -3.74 135.00 133.19 1pvc s PRO 26 Ca 0.26 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1pvc s PRO 26 Cb -0.04 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1pvc s PRO 26 CO -0.16 -0.87 0.00 0.39 0.04 0.00 0.00 177.00 176.39 1pvc n GLU 27 N -1.24 -1.38 -2.20 4.56 -0.58 -1.26 -4.96 120.64 113.58 1pvc n GLU 27 Ca 0.11 1.01 -0.41 0.00 -0.42 0.00 0.00 57.16 57.46 1pvc n GLU 27 Cb 0.50 -5.43 -0.03 0.00 -0.57 0.00 0.00 31.44 25.92 1pvc n GLU 27 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1pvc s PHE 28 N -2.81 3.18 -0.98 -0.32 5.36 -1.25 -4.93 117.98 116.24 1pvc s PHE 28 Ca 0.00 1.43 -0.20 0.00 -0.96 0.00 0.00 56.93 57.20 1pvc s PHE 28 Cb 0.00 -3.59 0.10 0.00 -0.34 0.00 0.00 43.02 39.18 1pvc s PHE 28 CO 0.00 -1.63 1.27 0.34 -1.46 0.00 0.00 175.22 173.74 1pvc s ASP 29 N -0.42 6.59 0.33 6.13 2.15 -1.26 -5.01 116.67 125.19 1pvc s ASP 29 Ca 0.49 -1.85 -0.29 0.00 0.43 0.00 0.00 52.55 51.34 1pvc s ASP 29 Cb -0.38 -2.47 -0.11 0.00 -0.30 0.00 0.00 42.92 39.66 1pvc s ASP 29 CO 0.48 -1.23 1.50 -0.69 -0.17 0.00 0.00 175.17 175.06 1pvc s VAL 30 N 3.57 2.21 0.07 1.11 1.01 -1.26 -4.97 120.40 122.15 1pvc s VAL 30 Ca 0.38 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 1pvc s VAL 30 Cb -0.03 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1pvc s VAL 30 CO -0.09 0.04 1.44 -0.89 0.00 0.00 0.00 175.10 175.60 1pvc s THR 31 N -0.59 3.35 0.80 3.92 2.01 -1.26 -5.01 115.64 118.87 1pvc s THR 31 Ca 0.57 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 1pvc s THR 31 Cb -0.46 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 68.56 1pvc s THR 31 CO 0.54 0.04 1.11 -2.16 -0.69 0.00 0.00 174.62 173.46 1pvc s PRO 32 N 1.75 1.93 0.76 4.92 0.04 -1.26 -5.03 135.00 138.12 1pvc s PRO 32 Ca 0.66 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1pvc s PRO 32 Cb -0.36 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1pvc s PRO 32 CO 0.29 -1.91 1.08 -1.25 0.04 0.00 0.00 177.00 175.26 1pvc s PRO 33 N -4.75 2.37 0.30 0.56 0.04 -1.26 -5.09 135.00 127.17 1pvc s PRO 33 Ca 0.64 0.77 0.05 0.00 0.04 0.00 0.00 61.00 62.50 1pvc s PRO 33 Cb -0.19 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1pvc s PRO 33 CO 0.55 -1.45 -0.00 0.96 0.04 0.00 0.00 177.00 177.10 1pvc s ILE 34 N -3.10 1.43 -0.98 0.56 -4.36 -1.26 -5.07 121.20 108.41 1pvc s ILE 34 Ca 0.60 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.72 1pvc s ILE 34 Cb -0.14 -2.61 0.09 0.00 1.25 0.00 0.00 42.46 41.04 1pvc s ILE 34 CO 0.55 -0.17 1.31 -0.62 0.24 0.00 0.00 174.94 176.25 1pvc s ASP 35 N -3.46 6.56 0.10 4.36 2.15 -1.26 -4.99 116.67 120.12 1pvc s ASP 35 Ca 0.32 -1.72 -0.27 0.00 0.43 0.00 0.00 52.55 51.31 1pvc s ASP 35 Cb 0.06 -2.50 -0.06 0.00 -0.30 0.00 0.00 42.92 40.13 1pvc s ASP 35 CO 0.13 -1.31 0.86 -0.63 -0.17 0.00 0.00 175.17 174.05 1pvc s ILE 36 N 3.97 4.56 0.67 4.11 1.01 -1.26 -5.04 121.20 129.23 1pvc s ILE 36 Ca 0.40 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 62.74 1pvc s ILE 36 Cb -0.02 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1pvc s ILE 36 CO -0.10 0.37 1.16 -2.65 0.00 0.00 0.00 174.94 173.72 1pvc n PRO 37 N 2.61 0.86 -0.55 2.79 -0.02 -1.26 -4.26 135.00 135.17 1pvc n PRO 37 Ca -0.01 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1pvc n PRO 37 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1pvc n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvc n GLY 38 N 0.99 0.90 3.77 -1.23 0.00 -1.26 -5.04 105.19 103.31 1pvc n GLY 38 Ca 0.15 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1pvc n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pvc s GLU 39 N -1.27 4.19 -0.07 1.61 2.12 -1.26 -5.04 118.70 118.99 1pvc s GLU 39 Ca 0.00 1.97 0.04 0.00 0.36 0.00 0.00 54.97 57.33 1pvc s GLU 39 Cb 0.00 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 1pvc s GLU 39 CO 0.00 -0.24 -0.17 0.08 -0.54 0.00 0.00 175.26 174.39 1pvc s VAL 40 N -1.29 2.74 -0.05 3.70 1.01 -1.26 -5.04 120.40 120.20 1pvc s VAL 40 Ca 0.53 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1pvc s VAL 40 Cb -0.34 -2.07 -0.17 0.00 0.00 0.00 0.00 36.38 33.80 1pvc s VAL 40 CO 0.44 0.57 0.18 0.29 0.00 0.00 0.00 175.10 176.58 1pvc n LYS 41 N 2.81 1.04 -3.79 2.72 4.76 -1.26 -5.03 118.16 119.41 1pvc n LYS 41 Ca -0.17 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.07 1pvc n LYS 41 Cb 0.52 -1.29 -0.12 0.00 -1.84 0.00 0.00 35.03 32.30 1pvc n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1pvc s ASN 42 N -3.77 -0.21 0.53 4.39 3.84 -1.26 -5.04 114.94 113.42 1pvc s ASN 42 Ca -0.05 0.41 0.25 0.00 0.21 0.00 0.00 52.86 53.69 1pvc s ASN 42 Cb 0.06 0.40 1.49 0.00 -0.55 0.00 0.00 41.25 42.65 1pvc s ASN 42 CO 0.49 -0.08 2.12 0.24 -2.79 0.00 0.00 177.10 177.08 1pvc h MET 43 N 6.04 0.00 0.00 0.43 2.86 -2.03 -1.31 114.93 120.92 1pvc h MET 43 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1pvc h MET 43 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1pvc h MET 43 CO 0.38 0.09 0.00 0.52 1.06 0.00 0.00 176.91 178.96 1pvc h MET 44 N 0.00 0.00 -0.09 1.72 2.86 -1.96 -1.29 114.93 116.17 1pvc h MET 44 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1pvc h MET 44 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1pvc h MET 44 CO 0.01 0.00 -0.06 0.93 1.06 0.00 0.00 176.91 178.85 1pvc h GLU 45 N 0.00 0.13 0.04 1.72 5.08 -1.66 -2.37 114.58 117.52 1pvc h GLU 45 Ca 0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1pvc h GLU 45 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pvc h GLU 45 CO 0.00 0.21 -1.02 -0.07 -1.00 0.00 0.00 179.01 177.13 1pvc h LEU 46 N 0.13 0.24 -0.34 1.33 3.38 -1.41 -2.97 115.31 115.67 1pvc h LEU 46 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1pvc h LEU 46 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pvc h LEU 46 CO 0.01 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1pvc n ALA 47 N -2.45 1.79 1.26 1.53 0.00 -0.92 -2.77 120.51 118.95 1pvc n ALA 47 Ca -0.04 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1pvc n ALA 47 Cb 0.91 -1.36 0.40 0.00 0.00 0.00 0.00 19.45 19.40 1pvc n ALA 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pvc n GLU 48 N -1.95 0.86 -3.20 0.00 1.02 -1.06 -0.70 120.64 115.61 1pvc n GLU 48 Ca 0.03 -0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 56.29 1pvc n GLU 48 Cb 0.24 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1pvc n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pvc s ILE 49 N -2.48 5.12 0.16 -3.67 1.01 -1.11 -4.65 121.20 115.58 1pvc s ILE 49 Ca 0.25 1.14 -0.33 0.00 0.00 0.00 0.00 60.65 61.71 1pvc s ILE 49 Cb 0.19 -3.91 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 1pvc s ILE 49 CO 0.51 0.27 1.71 0.47 0.00 0.00 0.00 174.94 177.90 1pvc n ASP 50 N 3.92 3.68 -4.26 3.58 8.00 -1.26 -4.65 116.55 125.56 1pvc n ASP 50 Ca -0.04 1.05 -0.21 0.00 0.71 0.00 0.00 54.79 56.30 1pvc n ASP 50 Cb 0.51 -1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 39.99 1pvc n ASP 50 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1pvc s THR 51 N 1.58 1.53 0.15 -3.53 -4.23 -1.15 -4.92 115.64 105.07 1pvc s THR 51 Ca 0.79 -1.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1pvc s THR 51 Cb -0.57 -1.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.68 1pvc s THR 51 CO 0.36 -0.24 1.13 -0.32 -0.54 0.00 0.00 174.62 175.02 1pvc s MET 52 N -2.27 4.54 -0.07 3.99 1.75 -1.26 -2.04 119.30 123.94 1pvc s MET 52 Ca 0.08 1.74 -0.25 0.00 -1.25 0.00 0.00 55.69 56.01 1pvc s MET 52 Cb -0.08 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.27 1pvc s MET 52 CO 0.04 -0.03 0.78 0.42 -0.65 0.00 0.00 175.02 175.58 1pvc s ILE 53 N 0.13 4.98 -1.22 10.11 1.01 0.28 -4.86 121.20 131.63 1pvc s ILE 53 Ca 0.52 1.61 -0.20 0.00 0.00 0.00 0.00 60.65 62.58 1pvc s ILE 53 Cb -0.30 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 1pvc s ILE 53 CO 0.34 0.20 1.87 -0.81 0.00 0.00 0.00 174.94 176.53 1pvc n PRO 54 N 4.02 2.30 0.24 2.79 -0.04 -1.25 -4.59 135.00 138.47 1pvc n PRO 54 Ca 0.01 -2.77 0.13 0.00 -0.04 0.00 0.00 63.50 60.83 1pvc n PRO 54 Cb 0.51 -3.57 0.47 0.00 -0.04 0.00 0.00 33.50 30.87 1pvc n PRO 54 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pvc h LEU 55 N 15.07 0.00 -7.40 1.53 3.38 -1.55 -3.41 115.31 122.94 1pvc h LEU 55 Ca 0.34 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.64 1pvc h LEU 55 Cb 0.88 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.25 1pvc h LEU 55 CO 1.40 0.11 -0.41 0.21 0.09 0.00 0.00 178.44 179.83 1pvc s ASN 56 N -6.00 5.08 -0.43 -0.43 3.84 -0.20 -4.91 114.94 111.89 1pvc s ASN 56 Ca 0.02 -3.20 0.04 0.00 0.21 0.00 0.00 52.86 49.93 1pvc s ASN 56 Cb 0.09 -1.78 0.56 0.00 -0.55 0.00 0.00 41.25 39.56 1pvc s ASN 56 CO 0.61 -0.26 1.74 0.18 -2.79 0.00 0.00 177.10 176.59 1pvc n LEU 57 N 2.96 5.98 -4.74 3.21 4.77 -1.26 -3.90 117.00 124.02 1pvc n LEU 57 Ca 0.11 -3.90 -0.33 0.00 -0.03 0.00 0.00 56.01 51.86 1pvc n LEU 57 Cb 0.36 -0.77 0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1pvc n LEU 57 CO 0.33 1.29 0.74 -1.61 -1.33 0.00 0.00 177.39 176.82 1pvc s GLU 58 N -3.42 2.22 0.09 3.23 0.41 -1.26 -4.49 118.70 115.47 1pvc s GLU 58 Ca 0.54 1.51 -0.11 0.00 -0.41 0.00 0.00 54.97 56.50 1pvc s GLU 58 Cb 0.46 -1.87 0.05 0.00 -1.78 0.00 0.00 34.13 30.99 1pvc s GLU 58 CO 0.04 -1.72 0.70 0.45 -0.49 0.00 0.00 175.26 174.24 1pvc n SER 59 N -2.97 -0.38 -0.11 -0.19 2.88 -1.26 -0.43 113.62 111.16 1pvc n SER 59 Ca 0.11 0.80 0.12 0.00 -1.33 0.00 0.00 58.87 58.58 1pvc n SER 59 Cb 0.52 -0.15 0.32 0.00 -0.75 0.00 0.00 64.21 64.14 1pvc n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pvc n THR 60 N -4.62 0.00 -0.10 2.46 -2.24 -1.26 -4.22 114.28 104.29 1pvc n THR 60 Ca 0.03 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1pvc n THR 60 Cb 0.15 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1pvc n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pvc n LYS 61 N -1.11 0.86 -1.81 -0.78 4.76 0.43 -4.88 118.16 115.62 1pvc n LYS 61 Ca 0.09 0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 1pvc n LYS 61 Cb 0.34 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1pvc n LYS 61 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1pvc s ARG 62 N -2.43 4.02 -1.18 1.97 1.70 -0.00 -2.28 118.95 120.75 1pvc s ARG 62 Ca -0.19 2.54 -0.04 0.00 -0.47 0.00 0.00 55.73 57.56 1pvc s ARG 62 Cb 0.06 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.55 1pvc s ARG 62 CO 0.60 -0.59 0.51 0.09 -1.08 0.00 0.00 175.30 174.84 1pvc n ASN 63 N 0.32 -5.10 -4.06 -2.89 3.02 -1.26 -4.94 115.26 100.35 1pvc n ASN 63 Ca 0.02 -0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.20 1pvc n ASN 63 Cb 0.40 -3.93 -0.09 0.00 -0.61 0.00 0.00 39.78 35.55 1pvc n ASN 63 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pvc s THR 64 N -3.05 0.00 0.57 3.41 -4.23 -0.97 -5.01 115.64 106.36 1pvc s THR 64 Ca 0.25 -1.97 0.39 0.00 -1.18 0.00 0.00 61.69 59.19 1pvc s THR 64 Cb -0.11 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.65 1pvc s THR 64 CO 0.31 0.00 2.28 0.24 -0.54 0.00 0.00 174.62 176.91 1pvc h MET 65 N 2.53 0.00 0.00 3.99 2.86 -1.95 -2.00 114.93 120.35 1pvc h MET 65 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1pvc h MET 65 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1pvc h MET 65 CO 0.50 0.01 0.00 -0.25 1.06 0.00 0.00 176.91 178.23 1pvc n ASP 66 N -3.31 0.09 0.17 1.22 8.00 -1.26 -2.68 116.55 118.78 1pvc n ASP 66 Ca -0.03 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.12 1pvc n ASP 66 Cb 0.11 -0.54 0.57 0.00 -0.02 0.00 0.00 41.12 41.25 1pvc n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pvc h MET 67 N 0.00 0.00 -0.01 -1.24 -0.00 -1.22 -2.16 114.93 110.29 1pvc h MET 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pvc h MET 67 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1pvc h MET 67 CO 0.00 0.00 -0.28 0.66 -0.00 0.00 0.00 176.91 177.29 1pvc n TYR 68 N -2.43 0.00 -4.43 -0.10 4.01 -1.09 -1.03 117.16 112.09 1pvc n TYR 68 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 1pvc n TYR 68 Cb 0.21 -0.08 -0.14 0.00 -0.31 0.00 0.00 39.34 39.02 1pvc n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1pvc s ARG 69 N -2.44 3.47 -0.17 -0.72 0.52 -0.81 -4.57 118.95 114.23 1pvc s ARG 69 Ca 0.24 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.80 1pvc s ARG 69 Cb 0.19 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 1pvc s ARG 69 CO 0.51 0.11 -0.04 0.08 0.02 0.00 0.00 175.30 175.99 1pvc s VAL 70 N 0.65 3.80 -0.10 3.52 1.01 -0.69 -4.71 120.40 123.88 1pvc s VAL 70 Ca -0.04 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1pvc s VAL 70 Cb -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1pvc s VAL 70 CO 0.02 0.48 0.76 -0.89 0.00 0.00 0.00 175.10 175.47 1pvc s THR 71 N 0.56 4.98 0.09 3.92 2.01 -1.26 -0.77 115.64 125.17 1pvc s THR 71 Ca -0.03 1.54 0.05 0.00 0.31 0.00 0.00 61.69 63.56 1pvc s THR 71 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1pvc s THR 71 CO 0.03 0.17 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.35 1pvc s LEU 72 N 1.26 3.40 0.14 4.42 1.43 0.07 -4.97 118.68 124.43 1pvc s LEU 72 Ca 0.39 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 1pvc s LEU 72 Cb -0.18 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 43.94 1pvc s LEU 72 CO 0.17 0.17 0.44 -0.94 0.23 0.00 0.00 176.35 176.42 1pvc s SER 73 N -2.30 -0.28 0.00 2.29 1.04 -1.26 -1.68 113.70 111.51 1pvc s SER 73 Ca 0.25 -0.29 0.24 0.00 0.48 0.00 0.00 55.95 56.63 1pvc s SER 73 Cb -0.12 0.50 1.24 0.00 0.10 0.00 0.00 66.02 67.74 1pvc s SER 73 CO 0.18 -0.88 1.79 -0.90 0.98 0.00 0.00 173.24 174.40 1pvc n ASP 74 N -0.26 0.00 -0.43 7.02 5.75 -0.67 -2.81 116.55 125.15 1pvc n ASP 74 Ca -0.16 -0.17 0.06 0.00 -0.01 0.00 0.00 54.79 54.52 1pvc n ASP 74 Cb 0.64 -0.24 0.14 0.00 -1.03 0.00 0.00 41.12 40.62 1pvc n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1pvc n SER 75 N -1.24 2.81 -4.72 -1.12 3.41 -1.26 -4.82 113.62 106.68 1pvc n SER 75 Ca 0.12 -2.45 -0.36 0.00 -0.26 0.00 0.00 58.87 55.93 1pvc n SER 75 Cb 0.17 -0.28 0.08 0.00 -0.26 0.00 0.00 64.21 63.92 1pvc n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pvc s ALA 76 N -1.79 2.24 -0.29 7.33 0.00 -1.13 -4.89 121.76 123.23 1pvc s ALA 76 Ca 0.23 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1pvc s ALA 76 Cb 0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1pvc s ALA 76 CO 0.08 -1.76 1.63 0.34 0.00 0.00 0.00 175.76 176.05 1pvc s ASP 77 N -1.64 6.22 0.21 0.00 -1.08 -1.26 -4.86 116.67 114.26 1pvc s ASP 77 Ca 0.79 1.37 0.22 0.00 -0.52 0.00 0.00 52.55 54.41 1pvc s ASP 77 Cb -0.34 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.49 1pvc s ASP 77 CO 0.42 -1.43 1.66 0.18 0.52 0.00 0.00 175.17 176.52 1pvc n LEU 78 N 9.08 0.53 0.10 -1.34 4.77 -1.26 -2.35 117.00 126.53 1pvc n LEU 78 Ca 0.20 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 1pvc n LEU 78 Cb 0.46 -0.57 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1pvc n LEU 78 CO 0.67 -0.51 0.42 0.77 -1.33 0.00 0.00 177.39 177.41 1pvc h SER 79 N 0.00 0.00 -3.44 -1.43 4.64 -1.95 -3.41 113.55 107.95 1pvc h SER 79 Ca 0.00 -0.11 -0.54 0.00 -0.47 0.00 0.00 61.79 60.67 1pvc h SER 79 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1pvc h SER 79 CO 0.00 0.06 -0.09 -1.10 -0.87 0.00 0.00 176.83 174.83 1pvc s GLN 80 N -3.20 3.85 0.60 4.77 -1.52 -0.99 -4.67 119.66 118.50 1pvc s GLN 80 Ca 0.06 0.35 -0.19 0.00 -1.95 0.00 0.00 55.36 53.63 1pvc s GLN 80 Cb 0.11 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1pvc s GLN 80 CO 0.71 0.33 1.28 -1.25 -0.25 0.00 0.00 175.29 176.11 1pvc s PRO 81 N -2.67 2.86 -0.02 2.91 0.04 -1.26 -4.70 135.00 132.16 1pvc s PRO 81 Ca 0.46 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.37 1pvc s PRO 81 Cb -0.12 -1.99 -0.33 0.00 0.04 0.00 0.00 34.50 32.10 1pvc s PRO 81 CO 0.20 -1.35 0.88 0.82 0.04 0.00 0.00 177.00 177.59 1pvc h ILE 82 N 0.91 1.27 -3.41 0.56 2.04 -1.10 -3.49 117.51 114.30 1pvc h ILE 82 Ca -0.51 -2.60 -0.05 0.00 1.00 0.00 0.00 64.86 62.70 1pvc h ILE 82 Cb 1.31 3.02 -0.13 0.00 -0.74 0.00 0.00 36.82 40.29 1pvc h ILE 82 CO 0.55 0.78 -0.07 -1.48 0.00 0.00 0.00 178.15 177.93 1pvc s LEU 83 N -7.63 0.40 -0.03 1.44 0.05 -1.25 -5.00 118.68 106.66 1pvc s LEU 83 Ca -0.12 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 53.65 1pvc s LEU 83 Cb 0.03 1.84 0.01 0.00 -2.05 0.00 0.00 46.19 46.02 1pvc s LEU 83 CO 0.88 -0.87 0.11 0.00 -0.55 0.00 0.00 176.35 175.92 1pvc s LEU 85 N -0.36 -0.72 0.20 0.00 0.20 -0.25 -5.00 118.68 112.75 1pvc s LEU 85 Ca -0.04 1.23 -0.14 0.00 0.69 0.00 0.00 54.13 55.87 1pvc s LEU 85 Cb -0.03 2.47 -0.07 0.00 -0.43 0.00 0.00 46.19 48.13 1pvc s LEU 85 CO 0.00 -0.35 0.59 -0.44 -0.29 0.00 0.00 176.35 175.87 1pvc s SER 86 N -0.06 6.80 -1.33 3.68 0.01 -1.26 -0.92 113.70 120.62 1pvc s SER 86 Ca -0.03 1.11 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 1pvc s SER 86 Cb -0.04 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 63.99 1pvc s SER 86 CO 0.03 0.02 1.88 -0.11 0.41 0.00 0.00 173.24 175.47 1pvc n LEU 87 N 0.44 5.99 -3.75 2.44 7.94 0.22 -4.71 117.00 125.58 1pvc n LEU 87 Ca -0.03 -4.24 -0.28 0.00 -1.11 0.00 0.00 56.01 50.35 1pvc n LEU 87 Cb 0.52 -1.64 -0.12 0.00 0.53 0.00 0.00 43.42 42.71 1pvc n LEU 87 CO 0.43 0.83 -0.16 -0.44 -1.11 0.00 0.00 177.39 176.94 1pvc s SER 88 N 2.92 3.76 0.49 1.96 0.01 -1.26 -3.64 113.70 117.93 1pvc s SER 88 Ca 0.47 -3.35 0.33 0.00 1.31 0.00 0.00 55.95 54.71 1pvc s SER 88 Cb 0.07 -1.24 1.60 0.00 0.21 0.00 0.00 66.02 66.66 1pvc s SER 88 CO -0.01 -0.15 2.00 1.55 0.41 0.00 0.00 173.24 177.04 1pvc h PRO 89 N 5.83 0.00 -0.02 12.44 0.13 -1.91 -0.42 132.00 148.05 1pvc h PRO 89 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1pvc h PRO 89 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pvc h PRO 89 CO 0.59 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.30 1pvc n ALA 90 N -1.97 2.58 0.00 -0.56 0.00 -1.26 -3.55 120.51 115.74 1pvc n ALA 90 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1pvc n ALA 90 Cb 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1pvc n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pvc n PHE 91 N 0.77 0.00 -1.82 0.00 7.35 -0.65 -4.60 117.46 118.52 1pvc n PHE 91 Ca 0.09 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.37 1pvc n PHE 91 Cb 0.41 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 1pvc n PHE 91 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1pvc s ASP 92 N -3.64 6.43 0.51 -2.13 -1.08 -0.26 -4.72 116.67 111.78 1pvc s ASP 92 Ca 0.00 2.87 0.34 0.00 -0.52 0.00 0.00 52.55 55.24 1pvc s ASP 92 Cb 0.00 -2.62 1.67 0.00 -1.46 0.00 0.00 42.92 40.50 1pvc s ASP 92 CO 0.00 -0.89 2.03 1.55 0.52 0.00 0.00 175.17 178.39 1pvc h PRO 93 N 5.38 0.00 0.00 4.34 0.13 -1.95 0.99 132.00 140.89 1pvc h PRO 93 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1pvc h PRO 93 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1pvc h PRO 93 CO 0.83 0.00 -0.97 0.00 -0.23 0.00 0.00 178.00 177.63 1pvc h ARG 94 N 0.00 0.00 0.00 0.86 3.08 -1.89 -3.37 114.38 113.06 1pvc h ARG 94 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1pvc h ARG 94 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1pvc h ARG 94 CO 0.00 0.83 -2.14 1.28 -1.07 0.00 0.00 179.97 178.88 1pvc n LEU 95 N -3.28 0.00 0.31 3.04 4.77 -0.17 -3.97 117.00 117.70 1pvc n LEU 95 Ca -0.01 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.17 1pvc n LEU 95 Cb 0.91 0.24 0.98 0.00 -2.33 0.00 0.00 43.42 43.22 1pvc n LEU 95 CO 0.45 0.24 1.10 0.77 -1.33 0.00 0.00 177.39 178.62 1pvc h SER 96 N 0.00 0.00 -0.44 -1.43 4.64 -0.94 -2.48 113.55 112.91 1pvc h SER 96 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1pvc h SER 96 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1pvc h SER 96 CO 0.01 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 1pvc n HIS 97 N -3.13 0.58 -1.45 4.77 8.25 -1.26 -3.32 115.22 119.66 1pvc n HIS 97 Ca -0.01 -0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 56.69 1pvc n HIS 97 Cb 0.17 -0.02 0.14 0.00 1.12 0.00 0.00 29.99 31.41 1pvc n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1pvc s THR 98 N -1.02 2.18 0.21 1.59 -4.23 -0.93 -4.72 115.64 108.72 1pvc s THR 98 Ca 0.30 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1pvc s THR 98 Cb 0.16 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 71.42 1pvc s THR 98 CO 0.21 -0.08 1.82 -0.03 -0.54 0.00 0.00 174.62 176.01 1pvc h MET 99 N -1.53 1.09 -0.27 3.99 1.85 -1.91 0.13 114.93 118.28 1pvc h MET 99 Ca -0.51 -0.13 0.05 0.00 -0.61 0.00 0.00 59.70 58.50 1pvc h MET 99 Cb 1.32 -0.21 -0.05 0.00 0.43 0.00 0.00 31.60 33.09 1pvc h MET 99 CO 0.60 0.82 -0.06 1.25 -0.40 0.00 0.00 176.91 179.12 1pvc h LEU 100 N 1.08 -0.24 -1.20 3.39 5.85 -1.83 -1.86 115.31 120.51 1pvc h LEU 100 Ca 0.27 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1pvc h LEU 100 Cb 0.05 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1pvc h LEU 100 CO -0.04 -0.08 -0.35 1.23 -0.34 0.00 0.00 178.44 178.86 1pvc h GLY 101 N 0.01 0.10 1.30 3.75 0.00 -1.42 -2.06 103.07 104.74 1pvc h GLY 101 Ca 0.13 -0.08 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 1pvc h GLY 101 CO -0.27 0.07 -0.68 0.83 0.00 0.00 0.00 176.54 176.49 1pvc h GLU 102 N 0.08 0.71 -0.28 4.80 4.39 -0.28 -2.31 114.58 121.68 1pvc h GLU 102 Ca 0.01 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.09 1pvc h GLU 102 Cb 0.65 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1pvc h GLU 102 CO 0.05 1.14 -0.19 0.28 -1.16 0.00 0.00 179.01 179.13 1pvc h VAL 103 N 0.51 1.30 0.00 3.13 2.07 -1.26 -3.03 116.25 118.97 1pvc h VAL 103 Ca -0.02 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1pvc h VAL 103 Cb 1.28 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1pvc h VAL 103 CO 0.14 0.42 -0.08 -0.07 0.02 0.00 0.00 177.57 178.00 1pvc h LEU 104 N 0.37 0.00 0.00 2.57 3.38 -1.33 -1.87 115.31 118.43 1pvc h LEU 104 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pvc h LEU 104 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pvc h LEU 104 CO 0.05 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.25 1pvc n ASN 105 N -3.39 0.00 -1.24 -0.43 3.02 -0.88 -1.26 115.26 111.08 1pvc n ASN 105 Ca -0.01 -0.91 0.11 0.00 -0.03 0.00 0.00 54.58 53.74 1pvc n ASN 105 Cb 0.24 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.68 1pvc n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1pvc n TYR 106 N -0.97 0.78 -4.17 3.10 4.01 -0.70 -3.81 117.16 115.39 1pvc n TYR 106 Ca 0.19 -0.41 -0.14 0.00 -0.16 0.00 0.00 57.90 57.38 1pvc n TYR 106 Cb 0.09 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 1pvc n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1pvc s TYR 107 N -1.16 1.06 -0.07 -0.72 2.02 -0.39 -0.55 117.35 117.54 1pvc s TYR 107 Ca 0.44 -0.65 0.14 0.00 -0.37 0.00 0.00 57.07 56.63 1pvc s TYR 107 Cb 0.24 -0.58 -0.19 0.00 -0.40 0.00 0.00 41.96 41.03 1pvc s TYR 107 CO 0.32 0.00 0.76 1.15 -1.57 0.00 0.00 175.55 176.20 1pvc h THR 108 N 3.58 0.71 -3.99 -0.71 2.02 -0.33 -3.43 112.91 110.76 1pvc h THR 108 Ca -0.37 -2.41 -0.46 0.00 0.77 0.00 0.00 66.41 63.95 1pvc h THR 108 Cb 1.19 2.26 -0.23 0.00 -1.74 0.00 0.00 68.15 69.63 1pvc h THR 108 CO 0.53 0.41 -0.79 -1.00 0.37 0.00 0.00 175.52 175.03 1pvc s HIS 109 N -2.74 1.34 0.04 3.16 3.76 -0.87 -1.01 115.29 118.96 1pvc s HIS 109 Ca -0.04 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1pvc s HIS 109 Cb 0.08 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1pvc s HIS 109 CO 0.82 0.07 -0.03 1.67 -0.85 0.00 0.00 174.74 176.42 1pvc s TRP 110 N -1.07 0.45 -0.19 1.40 1.48 -0.00 -2.27 118.94 118.74 1pvc s TRP 110 Ca 0.01 -0.83 -0.23 0.00 -1.06 0.00 0.00 56.10 53.99 1pvc s TRP 110 Cb -0.09 -0.32 0.06 0.00 -1.16 0.00 0.00 33.47 31.96 1pvc s TRP 110 CO 0.02 -0.28 0.62 0.00 -4.06 0.00 0.00 176.95 173.26 1pvc s ALA 111 N -2.85 -1.56 0.00 2.67 0.00 -0.53 -0.56 121.76 118.93 1pvc s ALA 111 Ca -0.02 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1pvc s ALA 111 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1pvc s ALA 111 CO -0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1pvc n GLY 112 N 2.27 0.98 3.93 0.00 0.00 -1.26 -1.20 105.19 109.92 1pvc n GLY 112 Ca -0.15 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 1pvc n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pvc s SER 113 N -0.98 6.37 0.13 1.61 0.01 -1.26 -4.24 113.70 115.34 1pvc s SER 113 Ca 0.00 0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.61 1pvc s SER 113 Cb 0.00 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1pvc s SER 113 CO 0.00 0.03 -0.14 -0.76 0.41 0.00 0.00 173.24 172.78 1pvc s LEU 114 N -3.16 2.42 -0.02 2.44 1.43 -1.02 -0.94 118.68 119.82 1pvc s LEU 114 Ca 0.36 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1pvc s LEU 114 Cb -0.11 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.54 1pvc s LEU 114 CO 0.28 -0.15 -0.06 -1.59 0.23 0.00 0.00 176.35 175.07 1pvc s LYS 115 N -2.78 0.73 -0.23 1.70 -2.85 -0.19 -0.46 119.74 115.66 1pvc s LYS 115 Ca 0.11 -0.19 -0.08 0.00 -1.00 0.00 0.00 55.97 54.81 1pvc s LYS 115 Cb -0.04 -0.72 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 1pvc s LYS 115 CO 0.03 0.04 0.08 -0.06 0.10 0.00 0.00 175.35 175.55 1pvc s PHE 116 N 0.35 3.14 -0.11 1.78 0.40 -0.19 -2.13 117.98 121.22 1pvc s PHE 116 Ca -0.05 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1pvc s PHE 116 Cb -0.09 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1pvc s PHE 116 CO 0.00 -0.19 -0.14 0.99 0.70 0.00 0.00 175.22 176.58 1pvc s THR 117 N 1.27 2.95 -0.07 0.64 2.01 -0.27 -0.95 115.64 121.22 1pvc s THR 117 Ca 0.05 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1pvc s THR 117 Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1pvc s THR 117 CO 0.04 0.54 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.03 1pvc s PHE 118 N 0.18 2.80 -0.16 4.92 0.08 -0.30 0.01 117.98 125.52 1pvc s PHE 118 Ca -0.08 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 1pvc s PHE 118 Cb -0.15 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1pvc s PHE 118 CO 0.05 0.16 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.08 1pvc s LEU 119 N -0.55 2.90 -0.19 -0.37 2.96 -0.17 -1.92 118.68 121.35 1pvc s LEU 119 Ca 0.08 -0.29 -0.20 0.00 -0.22 0.00 0.00 54.13 53.50 1pvc s LEU 119 Cb -0.12 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1pvc s LEU 119 CO 0.02 0.12 0.60 0.12 -1.32 0.00 0.00 176.35 175.89 1pvc s PHE 120 N 0.62 3.39 -0.33 5.38 5.36 -1.07 -1.46 117.98 129.87 1pvc s PHE 120 Ca -0.05 0.90 0.07 0.00 -0.96 0.00 0.00 56.93 56.89 1pvc s PHE 120 Cb -0.15 -2.76 0.49 0.00 -0.34 0.00 0.00 43.02 40.27 1pvc s PHE 120 CO 0.03 -0.13 1.47 0.00 -1.46 0.00 0.00 175.22 175.13 1pvc n GLY 122 N -1.04 -1.13 3.89 0.00 0.00 -1.26 -4.44 105.19 101.22 1pvc n GLY 122 Ca 0.38 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 1pvc n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvc s SER 123 N -3.19 4.34 0.53 1.61 1.04 -1.26 -4.94 113.70 111.83 1pvc s SER 123 Ca 0.34 0.76 0.28 0.00 0.48 0.00 0.00 55.95 57.82 1pvc s SER 123 Cb -0.01 -1.23 1.47 0.00 0.10 0.00 0.00 66.02 66.34 1pvc s SER 123 CO 0.24 -2.01 2.07 -0.03 0.98 0.00 0.00 173.24 174.49 1pvc h MET 124 N -1.13 0.00 0.00 4.02 4.05 -2.00 -2.57 114.93 117.30 1pvc h MET 124 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1pvc h MET 124 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1pvc h MET 124 CO 0.64 0.11 0.00 -1.33 0.23 0.00 0.00 176.91 176.56 1pvc n MET 125 N -3.57 0.35 -3.02 0.39 2.81 -1.26 -4.82 117.12 108.01 1pvc n MET 125 Ca -0.02 0.01 -0.39 0.00 -1.81 0.00 0.00 57.70 55.49 1pvc n MET 125 Cb 0.24 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 1pvc n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pvc s ALA 126 N -2.64 3.44 0.38 3.04 0.00 -0.97 -4.48 121.76 120.53 1pvc s ALA 126 Ca 0.26 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.56 1pvc s ALA 126 Cb 0.20 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 1pvc s ALA 126 CO 0.46 0.23 0.04 0.95 0.00 0.00 0.00 175.76 177.44 1pvc s THR 127 N -0.77 1.45 0.00 0.00 -4.23 -0.51 -4.88 115.64 106.70 1pvc s THR 127 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1pvc s THR 127 Cb -0.22 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1pvc s THR 127 CO 0.24 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1pvc n GLY 128 N -0.85 1.81 3.05 3.99 0.00 -1.26 -1.56 105.19 110.37 1pvc n GLY 128 Ca -0.05 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1pvc n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvc s LYS 129 N -2.00 1.24 -0.01 1.61 1.02 -1.26 -1.62 119.74 118.72 1pvc s LYS 129 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1pvc s LYS 129 Cb 0.00 -1.12 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1pvc s LYS 129 CO 0.00 0.16 -0.17 0.42 -0.92 0.00 0.00 175.35 174.84 1pvc s ILE 130 N 0.13 1.33 -0.26 2.17 1.01 -0.47 -0.68 121.20 124.43 1pvc s ILE 130 Ca -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1pvc s ILE 130 Cb -0.09 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1pvc s ILE 130 CO 0.01 0.36 0.13 -0.22 0.00 0.00 0.00 174.94 175.22 1pvc s LEU 131 N -0.44 3.73 -0.11 2.97 0.20 -0.09 -0.42 118.68 124.52 1pvc s LEU 131 Ca 0.06 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.79 1pvc s LEU 131 Cb -0.07 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 1pvc s LEU 131 CO -0.01 -0.04 -0.15 0.54 -0.29 0.00 0.00 176.35 176.40 1pvc s VAL 132 N 1.65 2.85 0.15 1.68 0.11 -0.34 -1.53 120.40 124.97 1pvc s VAL 132 Ca 0.07 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1pvc s VAL 132 Cb -0.15 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1pvc s VAL 132 CO 0.07 0.54 -0.12 0.00 -3.33 0.00 0.00 175.10 172.26 1pvc s ALA 133 N 0.21 1.55 -0.09 1.54 0.00 -0.29 -1.18 121.76 123.50 1pvc s ALA 133 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1pvc s ALA 133 Cb -0.16 0.00 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1pvc s ALA 133 CO 0.06 -0.03 -0.07 -0.47 0.00 0.00 0.00 175.76 175.24 1pvc s TYR 134 N -3.04 1.26 -0.32 0.00 5.04 0.67 -2.26 117.35 118.70 1pvc s TYR 134 Ca 0.16 -0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 54.18 1pvc s TYR 134 Cb 0.01 -1.07 0.03 0.00 0.35 0.00 0.00 41.96 41.27 1pvc s TYR 134 CO 0.02 -0.40 0.09 0.00 -1.34 0.00 0.00 175.55 173.92 1pvc s ALA 135 N 1.47 3.05 0.60 3.97 0.00 0.10 -1.05 121.76 129.91 1pvc s ALA 135 Ca -0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1pvc s ALA 135 Cb -0.13 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 1pvc s ALA 135 CO -0.05 -1.18 0.70 -2.30 0.00 0.00 0.00 175.76 172.93 1pvc n PRO 136 N 4.83 0.63 -0.98 0.00 -0.02 -1.26 -0.99 135.00 137.21 1pvc n PRO 136 Ca -0.13 0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.31 1pvc n PRO 136 Cb 0.46 -1.90 0.22 0.00 -0.02 0.00 0.00 33.50 32.26 1pvc n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pvc s PRO 137 N -2.43 -0.62 0.00 0.52 0.04 -1.26 -4.60 135.00 126.65 1pvc s PRO 137 Ca 0.72 0.33 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1pvc s PRO 137 Cb -0.42 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1pvc s PRO 137 CO 0.51 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1pvc n GLY 138 N -0.57 0.57 3.55 0.56 0.00 -1.26 -5.01 105.19 103.03 1pvc n GLY 138 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1pvc n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvc s ALA 139 N -2.00 3.12 0.20 4.61 0.00 -1.26 -5.10 121.76 121.33 1pvc s ALA 139 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 51.96 50.57 1pvc s ALA 139 Cb 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 23.12 23.69 1pvc s ALA 139 CO 0.00 -0.31 1.69 -1.14 0.00 0.00 0.00 175.76 176.00 1pvc s GLN 140 N -3.69 4.14 0.19 0.00 0.74 -1.26 -4.94 119.66 114.83 1pvc s GLN 140 Ca 0.21 2.56 -0.33 0.00 0.05 0.00 0.00 55.36 57.85 1pvc s GLN 140 Cb 0.02 -3.09 -0.13 0.00 1.10 0.00 0.00 33.01 30.91 1pvc s GLN 140 CO 0.13 -0.72 1.61 -2.30 -0.55 0.00 0.00 175.29 173.47 1pvc n PRO 141 N 3.92 2.37 -1.67 1.67 -0.02 -1.26 -4.85 135.00 135.15 1pvc n PRO 141 Ca 0.15 0.85 -0.47 0.00 -2.02 0.00 0.00 63.50 62.02 1pvc n PRO 141 Cb 0.36 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1pvc n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pvc n PRO 142 N 3.42 2.14 -0.00 0.52 -0.02 -1.26 -4.89 135.00 134.91 1pvc n PRO 142 Ca 0.16 0.78 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 1pvc n PRO 142 Cb 0.31 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.16 1pvc n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1pvc n THR 143 N 3.88 0.00 -4.20 3.45 -2.24 -1.26 -4.97 114.28 108.93 1pvc n THR 143 Ca 0.19 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1pvc n THR 143 Cb 0.29 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1pvc n THR 143 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pvc s SER 144 N -2.35 1.01 0.30 3.42 1.04 -1.26 -4.63 113.70 111.23 1pvc s SER 144 Ca 0.02 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1pvc s SER 144 Cb 0.08 0.15 0.49 0.00 0.10 0.00 0.00 66.02 66.84 1pvc s SER 144 CO 0.47 -0.58 1.88 -0.09 0.98 0.00 0.00 173.24 175.90 1pvc h ARG 145 N 2.80 0.78 -0.91 4.02 2.43 -1.94 -1.27 114.38 120.29 1pvc h ARG 145 Ca -0.36 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 58.76 1pvc h ARG 145 Cb 1.19 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1pvc h ARG 145 CO 0.63 0.67 0.59 -0.22 -1.51 0.00 0.00 179.97 180.13 1pvc h LYS 146 N 0.77 0.95 0.20 0.20 3.64 -1.98 0.68 116.57 121.03 1pvc h LYS 146 Ca 0.18 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 59.18 1pvc h LYS 146 Cb 0.21 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1pvc h LYS 146 CO -0.01 0.63 -1.51 0.93 -2.27 0.00 0.00 179.45 177.22 1pvc h GLU 147 N 0.98 0.43 -0.65 1.90 5.08 -1.81 -3.36 114.58 117.15 1pvc h GLU 147 Ca 0.41 -0.73 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1pvc h GLU 147 Cb 0.29 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1pvc h GLU 147 CO -0.17 1.33 0.25 0.00 -1.00 0.00 0.00 179.01 179.43 1pvc h ALA 148 N 0.27 1.22 0.00 3.43 0.00 -0.49 -2.90 119.26 120.80 1pvc h ALA 148 Ca -0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pvc h ALA 148 Cb 2.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1pvc h ALA 148 CO 0.23 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1pvc n MET 149 N -4.30 0.22 0.02 0.00 0.00 0.16 -1.94 117.12 111.28 1pvc n MET 149 Ca 0.06 0.13 0.13 0.00 0.00 0.00 0.00 57.70 58.02 1pvc n MET 149 Cb 0.18 -1.50 0.46 0.00 0.00 0.00 0.00 33.22 32.35 1pvc n MET 149 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pvc n LEU 150 N -1.31 0.29 0.00 3.17 4.77 -1.09 -4.87 117.00 117.95 1pvc n LEU 150 Ca 0.08 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1pvc n LEU 150 Cb 0.15 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1pvc n LEU 150 CO 0.14 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1pvc n GLY 151 N 1.47 2.47 3.73 -0.72 0.00 -0.82 -5.05 105.19 106.27 1pvc n GLY 151 Ca 0.06 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1pvc n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pvc s THR 152 N 1.58 3.28 0.17 2.61 2.01 -0.21 -4.84 115.64 120.25 1pvc s THR 152 Ca 0.00 1.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.83 1pvc s THR 152 Cb 0.00 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.90 1pvc s THR 152 CO 0.00 0.14 0.55 -1.38 -0.69 0.00 0.00 174.62 173.24 1pvc s HIS 153 N 0.29 -0.33 -0.04 4.92 -0.00 -1.26 -0.24 115.29 118.63 1pvc s HIS 153 Ca 0.58 0.04 0.03 0.00 -0.00 0.00 0.00 55.06 55.71 1pvc s HIS 153 Cb -0.36 0.47 0.00 0.00 -0.00 0.00 0.00 32.58 32.69 1pvc s HIS 153 CO 0.37 -0.88 -0.14 0.08 -0.00 0.00 0.00 174.74 174.17 1pvc s VAL 154 N -3.81 1.18 -0.34 -5.38 1.01 -0.33 -4.99 120.40 107.75 1pvc s VAL 154 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1pvc s VAL 154 Cb -0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1pvc s VAL 154 CO -0.08 0.35 0.20 -0.63 0.00 0.00 0.00 175.10 174.94 1pvc s ILE 155 N 0.16 4.90 -0.20 2.22 1.01 -1.26 -1.20 121.20 126.83 1pvc s ILE 155 Ca -0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 1pvc s ILE 155 Cb -0.11 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1pvc s ILE 155 CO 0.02 -0.04 0.71 0.86 0.00 0.00 0.00 174.94 176.49 1pvc s TRP 156 N 1.65 3.38 -0.27 3.97 -0.00 0.44 -4.94 118.94 123.17 1pvc s TRP 156 Ca 0.05 1.04 -0.10 0.00 -0.00 0.00 0.00 56.10 57.09 1pvc s TRP 156 Cb -0.18 -2.89 -0.04 0.00 -0.00 0.00 0.00 33.47 30.36 1pvc s TRP 156 CO 0.08 -0.22 0.16 0.34 -0.00 0.00 0.00 176.95 177.30 1pvc s ASP 157 N 1.22 5.80 0.40 5.86 2.15 -1.26 -1.37 116.67 129.47 1pvc s ASP 157 Ca 0.32 -0.05 -0.25 0.00 0.43 0.00 0.00 52.55 52.99 1pvc s ASP 157 Cb -0.16 -2.07 -0.08 0.00 -0.30 0.00 0.00 42.92 40.31 1pvc s ASP 157 CO 0.11 -0.04 1.21 -0.76 -0.17 0.00 0.00 175.17 175.51 1pvc s LEU 158 N 1.69 4.19 0.00 -1.34 1.43 -0.64 -4.95 118.68 119.06 1pvc s LEU 158 Ca 0.07 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1pvc s LEU 158 Cb -0.16 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1pvc s LEU 158 CO 0.09 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1pvc n GLY 159 N 0.65 -0.68 0.36 -3.19 0.00 -1.26 -4.65 105.19 96.42 1pvc n GLY 159 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1pvc n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pvc h LEU 160 N 0.00 1.11 -8.86 0.99 3.38 -1.98 -3.33 115.31 106.63 1pvc h LEU 160 Ca 0.00 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.32 1pvc h LEU 160 Cb 0.00 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 1pvc h LEU 160 CO 0.00 0.88 0.97 -1.10 0.09 0.00 0.00 178.44 179.27 1pvc s GLN 161 N -5.87 3.81 0.52 1.13 -1.52 -1.26 -4.87 119.66 111.61 1pvc s GLN 161 Ca -0.13 0.98 0.31 0.00 -1.95 0.00 0.00 55.36 54.57 1pvc s GLN 161 Cb 0.17 -3.90 1.19 0.00 -0.22 0.00 0.00 33.01 30.25 1pvc s GLN 161 CO 0.82 -1.26 1.92 0.66 -0.25 0.00 0.00 175.29 177.18 1pvc h SER 162 N 9.44 0.00 -3.36 5.90 4.64 -1.95 -3.47 113.55 124.75 1pvc h SER 162 Ca -0.25 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.63 1pvc h SER 162 Cb 1.08 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1pvc h SER 162 CO 1.07 0.03 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.88 1pvc s SER 163 N -5.82 2.47 -0.01 4.97 0.01 -1.26 -2.61 113.70 111.46 1pvc s SER 163 Ca 0.02 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.29 1pvc s SER 163 Cb 0.09 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1pvc s SER 163 CO 0.57 -0.17 -0.02 0.00 0.41 0.00 0.00 173.24 174.03 1pvc s THR 165 N 0.19 3.70 -0.14 0.00 2.01 -1.26 -1.15 115.64 118.98 1pvc s THR 165 Ca -0.02 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1pvc s THR 165 Cb -0.04 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1pvc s THR 165 CO -0.00 0.49 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.09 1pvc s MET 166 N 0.48 3.58 -0.19 4.92 1.75 -0.13 -4.96 119.30 124.75 1pvc s MET 166 Ca -0.04 -0.45 -0.10 0.00 -1.25 0.00 0.00 55.69 53.84 1pvc s MET 166 Cb -0.15 -2.95 -0.05 0.00 2.84 0.00 0.00 34.83 34.52 1pvc s MET 166 CO 0.03 0.36 0.14 0.08 -0.65 0.00 0.00 175.02 174.98 1pvc s VAL 167 N 0.07 5.41 -0.58 10.11 1.01 -1.26 -1.03 120.40 134.13 1pvc s VAL 167 Ca 0.02 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 1pvc s VAL 167 Cb -0.13 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 32.87 1pvc s VAL 167 CO 0.02 0.45 0.69 -0.69 0.00 0.00 0.00 175.10 175.58 1pvc s VAL 168 N 0.24 4.83 0.52 2.92 1.01 0.39 -4.99 120.40 125.32 1pvc s VAL 168 Ca 0.09 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1pvc s VAL 168 Cb -0.11 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 1pvc s VAL 168 CO -0.01 -1.09 1.30 -2.84 0.00 0.00 0.00 175.10 172.46 1pvc s PRO 169 N 2.67 3.31 -0.23 2.72 0.02 -1.26 -2.43 135.00 139.81 1pvc s PRO 169 Ca 0.12 2.09 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 1pvc s PRO 169 Cb -0.24 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 1pvc s PRO 169 CO 0.07 -1.00 2.08 -0.46 -0.33 0.00 0.00 177.00 177.35 1pvc s TRP 170 N -1.38 1.36 -0.24 6.54 -0.11 -1.26 -4.89 118.94 118.96 1pvc s TRP 170 Ca 0.69 0.50 -0.01 0.00 1.22 0.00 0.00 56.10 58.50 1pvc s TRP 170 Cb -0.37 -4.00 0.07 0.00 -1.50 0.00 0.00 33.47 27.68 1pvc s TRP 170 CO 0.43 -3.85 0.04 0.42 -4.62 0.00 0.00 176.95 169.37 1pvc s ILE 171 N 7.61 0.88 0.01 5.86 1.01 -1.26 -5.01 121.20 130.30 1pvc s ILE 171 Ca 0.94 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 1pvc s ILE 171 Cb -0.31 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1pvc s ILE 171 CO 0.35 -0.34 0.31 -0.55 0.00 0.00 0.00 174.94 174.71 1pvc s SER 172 N 1.67 -0.17 -0.12 3.58 0.15 -1.26 -4.96 113.70 112.59 1pvc s SER 172 Ca 0.01 -0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.54 1pvc s SER 172 Cb -0.18 0.33 -0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1pvc s SER 172 CO -0.13 -0.52 0.23 -0.55 1.20 0.00 0.00 173.24 173.46 1pvc h ASN 173 N 3.58 0.00 -4.29 5.45 -1.07 -1.95 -3.47 115.58 113.83 1pvc h ASN 173 Ca -0.30 -0.32 -0.51 0.00 0.07 0.00 0.00 56.30 55.23 1pvc h ASN 173 Cb 1.19 0.00 0.12 0.00 -2.07 0.00 0.00 38.32 37.55 1pvc h ASN 173 CO 0.43 0.71 0.34 0.68 0.07 0.00 0.00 177.43 179.65 1pvc s VAL 174 N -1.83 3.42 -0.47 6.14 -7.23 -1.26 -4.95 120.40 114.22 1pvc s VAL 174 Ca -0.08 0.51 0.23 0.00 -1.81 0.00 0.00 61.98 60.84 1pvc s VAL 174 Cb -0.01 -3.04 0.32 0.00 0.56 0.00 0.00 36.38 34.21 1pvc s VAL 174 CO 0.25 -0.55 1.61 0.71 -0.31 0.00 0.00 175.10 176.80 1pvc h THR 175 N -0.75 0.00 -3.43 5.32 1.35 -1.97 -3.43 112.91 110.00 1pvc h THR 175 Ca -0.44 -0.93 -0.21 0.00 -0.55 0.00 0.00 66.41 64.27 1pvc h THR 175 Cb 1.23 1.91 -0.28 0.00 -1.73 0.00 0.00 68.15 69.28 1pvc h THR 175 CO 0.53 0.00 -0.60 -0.31 -0.25 0.00 0.00 175.52 174.89 1pvc s TYR 176 N -3.20 -0.12 0.39 4.73 2.02 -1.26 -4.80 117.35 115.10 1pvc s TYR 176 Ca 0.07 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1pvc s TYR 176 Cb 0.06 0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.62 1pvc s TYR 176 CO 0.67 -0.08 0.57 1.03 -1.57 0.00 0.00 175.55 176.17 1pvc s ARG 177 N 0.33 3.17 0.36 -0.62 0.52 0.28 -4.86 118.95 118.13 1pvc s ARG 177 Ca -0.02 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 1pvc s ARG 177 Cb -0.03 -2.68 -0.10 0.00 0.52 0.00 0.00 34.95 32.66 1pvc s ARG 177 CO -0.01 -0.06 0.85 -0.65 0.02 0.00 0.00 175.30 175.45 1pvc s GLN 178 N -4.37 4.16 0.25 3.54 -0.21 -1.26 -0.82 119.66 120.95 1pvc s GLN 178 Ca 0.45 0.93 0.14 0.00 0.02 0.00 0.00 55.36 56.90 1pvc s GLN 178 Cb -0.10 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.56 1pvc s GLN 178 CO 0.35 0.10 1.42 1.79 -2.12 0.00 0.00 175.29 176.82 1pvc h THR 179 N 2.04 1.02 -3.88 -0.19 1.35 -1.34 -3.45 112.91 108.46 1pvc h THR 179 Ca -0.48 -2.44 -0.44 0.00 -0.55 0.00 0.00 66.41 62.50 1pvc h THR 179 Cb 1.18 2.50 0.16 0.00 -1.73 0.00 0.00 68.15 70.26 1pvc h THR 179 CO 0.63 0.58 0.22 0.42 -0.25 0.00 0.00 175.52 177.12 1pvc s THR 180 N -2.92 1.90 -0.08 6.82 -4.23 -1.26 -4.08 115.64 111.80 1pvc s THR 180 Ca 0.03 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1pvc s THR 180 Cb 0.08 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1pvc s THR 180 CO 0.76 0.00 0.95 -1.58 -0.54 0.00 0.00 174.62 174.21 1pvc s GLN 181 N -5.21 4.45 -0.13 3.99 2.00 -1.26 -4.98 119.66 118.52 1pvc s GLN 181 Ca 0.67 1.31 -0.08 0.00 -2.00 0.00 0.00 55.36 55.26 1pvc s GLN 181 Cb -0.15 -3.51 0.05 0.00 0.80 0.00 0.00 33.01 30.20 1pvc s GLN 181 CO 0.56 -0.20 0.32 0.34 -0.50 0.00 0.00 175.29 175.81 1pvc s ASP 182 N 1.05 -0.37 0.40 6.67 -1.08 -1.26 -5.04 116.67 117.04 1pvc s ASP 182 Ca 0.47 0.69 0.14 0.00 -0.52 0.00 0.00 52.55 53.33 1pvc s ASP 182 Cb -0.19 0.60 0.85 0.00 -1.46 0.00 0.00 42.92 42.73 1pvc s ASP 182 CO 0.20 -0.16 1.89 0.28 0.52 0.00 0.00 175.17 177.90 1pvc h SER 183 N 6.73 0.00 -0.14 -0.34 0.02 -1.98 -1.98 113.55 115.86 1pvc h SER 183 Ca -0.35 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1pvc h SER 183 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1pvc h SER 183 CO 0.33 0.30 0.04 0.15 -1.14 0.00 0.00 176.83 176.51 1pvc h PHE 184 N 0.00 0.30 -0.16 3.45 3.57 -2.01 -3.00 116.94 119.08 1pvc h PHE 184 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1pvc h PHE 184 Cb 0.55 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1pvc h PHE 184 CO 0.00 0.28 -0.57 0.25 -2.23 0.00 0.00 178.31 176.03 1pvc n THR 185 N -4.40 2.26 -1.99 4.41 -2.24 -0.95 -4.93 114.28 106.44 1pvc n THR 185 Ca 0.00 -3.43 -0.35 0.00 -2.27 0.00 0.00 64.05 58.00 1pvc n THR 185 Cb 0.16 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1pvc n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pvc s GLU 186 N -3.29 2.96 0.00 -0.78 -1.05 -0.79 -4.60 118.70 111.16 1pvc s GLU 186 Ca 0.41 1.74 0.13 0.00 -0.15 0.00 0.00 54.97 57.09 1pvc s GLU 186 Cb 0.38 -1.94 -0.13 0.00 -0.44 0.00 0.00 34.13 32.00 1pvc s GLU 186 CO -0.05 -1.19 0.58 0.41 0.95 0.00 0.00 175.26 175.96 1pvc n GLY 187 N 0.33 -0.23 0.00 -3.83 0.00 -1.24 -4.80 105.19 95.42 1pvc n GLY 187 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1pvc n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvc n GLY 188 N 1.29 -0.61 2.99 -0.02 0.00 -1.26 -4.34 105.19 103.23 1pvc n GLY 188 Ca 0.03 -2.19 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 1pvc n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pvc s TYR 189 N 0.00 0.82 -0.12 1.61 2.02 -0.16 -0.61 117.35 120.92 1pvc s TYR 189 Ca 0.00 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1pvc s TYR 189 Cb 0.00 -0.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 1pvc s TYR 189 CO 0.00 -0.07 -0.09 0.42 -1.57 0.00 0.00 175.55 174.24 1pvc s ILE 190 N 0.12 3.48 0.09 2.71 1.01 -0.09 -0.72 121.20 127.80 1pvc s ILE 190 Ca -0.02 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 1pvc s ILE 190 Cb -0.07 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1pvc s ILE 190 CO 0.00 0.54 -0.01 -0.94 0.00 0.00 0.00 174.94 174.52 1pvc s SER 191 N 0.00 0.62 -0.04 3.58 1.04 -0.96 -1.09 113.70 116.85 1pvc s SER 191 Ca -0.02 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 55.32 1pvc s SER 191 Cb -0.14 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1pvc s SER 191 CO 0.03 -0.60 0.11 -0.32 0.98 0.00 0.00 173.24 173.44 1pvc s MET 192 N -3.94 0.11 0.05 4.02 1.75 -1.04 -1.14 119.30 119.12 1pvc s MET 192 Ca 0.13 0.18 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 1pvc s MET 192 Cb 0.07 0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.73 1pvc s MET 192 CO -0.05 -0.04 -0.03 -0.06 -0.65 0.00 0.00 175.02 174.19 1pvc s PHE 193 N 0.22 0.52 0.20 4.11 0.40 -0.58 -0.40 117.98 122.44 1pvc s PHE 193 Ca -0.01 -0.96 -0.30 0.00 -0.60 0.00 0.00 56.93 55.06 1pvc s PHE 193 Cb -0.02 -0.37 -0.08 0.00 0.51 0.00 0.00 43.02 43.05 1pvc s PHE 193 CO -0.01 -0.32 1.12 0.71 0.70 0.00 0.00 175.22 177.42 1pvc s TYR 194 N -3.44 3.56 -0.13 0.36 2.02 -1.26 -0.92 117.35 117.54 1pvc s TYR 194 Ca 0.03 1.59 -0.04 0.00 -0.37 0.00 0.00 57.07 58.28 1pvc s TYR 194 Cb 0.04 -3.31 -0.25 0.00 -0.40 0.00 0.00 41.96 38.05 1pvc s TYR 194 CO -0.08 -0.71 0.33 0.94 -1.57 0.00 0.00 175.55 174.46 1pvc n GLN 195 N 2.16 0.74 0.00 -0.62 -0.06 0.15 -4.74 117.38 115.01 1pvc n GLN 195 Ca 0.02 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 1pvc n GLN 195 Cb 0.46 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1pvc n GLN 195 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1pvc n THR 196 N -3.42 0.00 -3.71 1.69 -2.24 -1.07 -4.98 114.28 100.55 1pvc n THR 196 Ca -0.32 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1pvc n THR 196 Cb 1.04 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1pvc n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pvc s ARG 197 N 1.26 1.25 0.14 -0.78 1.70 -1.26 -4.92 118.95 116.33 1pvc s ARG 197 Ca 0.00 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 1pvc s ARG 197 Cb 0.00 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 1pvc s ARG 197 CO 0.00 -0.57 1.27 0.42 -1.08 0.00 0.00 175.30 175.34 1pvc s ILE 198 N -3.41 3.54 -0.04 4.99 -1.09 -1.26 -4.19 121.20 119.74 1pvc s ILE 198 Ca 0.10 1.19 0.05 0.00 -2.23 0.00 0.00 60.65 59.76 1pvc s ILE 198 Cb -0.02 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1pvc s ILE 198 CO 0.00 0.14 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.95 1pvc s VAL 199 N 0.55 1.72 0.10 2.92 1.01 -0.60 -4.35 120.40 121.75 1pvc s VAL 199 Ca 0.58 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1pvc s VAL 199 Cb -0.34 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1pvc s VAL 199 CO 0.33 0.49 -0.12 0.68 0.00 0.00 0.00 175.10 176.48 1pvc s VAL 200 N -0.13 1.08 0.01 2.92 -7.23 -1.26 -1.43 120.40 114.36 1pvc s VAL 200 Ca -0.02 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1pvc s VAL 200 Cb -0.12 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1pvc s VAL 200 CO 0.02 -0.45 0.01 -0.81 -0.31 0.00 0.00 175.10 173.56 1pvc n PRO 201 N 0.70 -0.31 -1.53 4.82 -0.04 -1.26 -5.04 135.00 132.35 1pvc n PRO 201 Ca -0.17 -0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 1pvc n PRO 201 Cb 0.57 -0.01 0.10 0.00 -0.04 0.00 0.00 33.50 34.11 1pvc n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pvc s LEU 202 N 0.00 2.48 -1.84 1.53 1.43 -1.26 -3.86 118.68 117.16 1pvc s LEU 202 Ca 0.01 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1pvc s LEU 202 Cb -0.00 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1pvc s LEU 202 CO 0.01 -2.10 0.00 -1.20 0.23 0.00 0.00 176.35 173.28 1pvc n SER 203 N -3.51 -5.82 -4.14 2.29 7.64 -1.26 -4.99 113.62 103.83 1pvc n SER 203 Ca 0.07 0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.80 1pvc n SER 203 Cb 0.57 -4.88 -0.14 0.00 -1.01 0.00 0.00 64.21 58.75 1pvc n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pvc s THR 204 N -2.99 1.21 0.27 0.44 2.01 -1.25 -5.12 115.64 110.21 1pvc s THR 204 Ca 0.00 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1pvc s THR 204 Cb 0.00 -1.04 -0.13 0.00 0.01 0.00 0.00 72.50 71.34 1pvc s THR 204 CO 0.00 0.20 1.47 -2.65 -0.69 0.00 0.00 174.62 172.95 1pvc n PRO 205 N 2.33 2.30 0.00 4.92 -0.02 -1.26 -4.91 135.00 138.36 1pvc n PRO 205 Ca -0.16 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1pvc n PRO 205 Cb 0.55 -2.52 0.29 0.00 -0.02 0.00 0.00 33.50 31.80 1pvc n PRO 205 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pvc n LYS 206 N 1.90 0.90 -4.24 -0.52 5.02 -1.26 -4.88 118.16 115.08 1pvc n LYS 206 Ca 0.10 -0.59 -0.19 0.00 -2.02 0.00 0.00 58.31 55.61 1pvc n LYS 206 Cb 0.34 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1pvc n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pvc s SER 207 N -2.51 2.04 0.10 4.39 0.01 -1.26 -1.67 113.70 114.81 1pvc s SER 207 Ca 0.23 -0.77 -0.26 0.00 1.31 0.00 0.00 55.95 56.46 1pvc s SER 207 Cb 0.19 -0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.42 1pvc s SER 207 CO 0.54 -0.10 0.85 0.00 0.41 0.00 0.00 173.24 174.93 1pvc s MET 208 N -2.43 1.12 0.19 12.44 0.23 -0.67 -4.99 119.30 125.18 1pvc s MET 208 Ca 0.07 -0.52 -0.03 0.00 -1.03 0.00 0.00 55.69 54.18 1pvc s MET 208 Cb -0.06 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.63 1pvc s MET 208 CO 0.03 -0.50 0.41 -1.12 -2.03 0.00 0.00 175.02 171.82 1pvc s SER 209 N -2.72 6.45 -0.03 -1.18 0.01 -1.26 -0.75 113.70 114.21 1pvc s SER 209 Ca 0.07 0.55 0.07 0.00 1.31 0.00 0.00 55.95 57.95 1pvc s SER 209 Cb -0.02 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 1pvc s SER 209 CO -0.04 -0.03 -0.25 -0.32 0.41 0.00 0.00 173.24 173.01 1pvc s MET 210 N -3.06 2.22 0.12 12.44 1.75 0.05 -1.08 119.30 131.75 1pvc s MET 210 Ca 0.41 -0.91 0.08 0.00 -1.25 0.00 0.00 55.69 54.02 1pvc s MET 210 Cb -0.11 -2.05 -0.04 0.00 2.84 0.00 0.00 34.83 35.47 1pvc s MET 210 CO 0.27 0.50 -0.12 -0.51 -0.65 0.00 0.00 175.02 174.50 1pvc s LEU 211 N -0.46 2.93 0.08 4.11 1.43 -0.53 -1.71 118.68 124.53 1pvc s LEU 211 Ca 0.06 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1pvc s LEU 211 Cb -0.11 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1pvc s LEU 211 CO 0.00 0.16 -0.18 -0.83 0.23 0.00 0.00 176.35 175.74 1pvc s GLY 212 N -2.33 1.06 0.06 -3.19 0.00 -1.26 -1.00 107.32 100.66 1pvc s GLY 212 Ca 0.21 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.85 1pvc s GLY 212 CO 0.13 -1.13 -0.11 -1.36 0.00 0.00 0.00 173.10 170.63 1pvc s PHE 213 N -1.19 0.93 0.02 1.90 0.40 0.10 -0.56 117.98 119.59 1pvc s PHE 213 Ca 0.03 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1pvc s PHE 213 Cb -0.10 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 1pvc s PHE 213 CO 0.03 -0.02 -0.07 0.54 0.70 0.00 0.00 175.22 176.40 1pvc s VAL 214 N -1.36 0.54 0.18 -0.44 0.11 -0.86 -1.11 120.40 117.45 1pvc s VAL 214 Ca -0.06 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.22 1pvc s VAL 214 Cb -0.10 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1pvc s VAL 214 CO 0.01 -0.06 0.48 -0.94 -3.33 0.00 0.00 175.10 171.26 1pvc s SER 215 N -0.73 -0.25 0.38 3.54 1.04 -0.91 -2.92 113.70 113.86 1pvc s SER 215 Ca -0.02 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 1pvc s SER 215 Cb -0.05 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.51 1pvc s SER 215 CO 0.00 -0.99 0.85 0.00 0.98 0.00 0.00 173.24 174.08 1pvc s ALA 216 N -3.86 3.17 0.84 5.32 0.00 0.12 -1.02 121.76 126.33 1pvc s ALA 216 Ca 0.08 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1pvc s ALA 216 Cb -0.00 -2.98 0.15 0.00 0.00 0.00 0.00 23.12 20.29 1pvc s ALA 216 CO -0.05 0.22 1.17 0.00 0.00 0.00 0.00 175.76 177.10 1pvc n ASN 218 N -3.34 0.00 -1.40 0.00 2.04 -1.26 -2.49 115.26 108.80 1pvc n ASN 218 Ca 0.14 -0.61 0.08 0.00 -0.44 0.00 0.00 54.58 53.75 1pvc n ASN 218 Cb 0.60 -0.00 0.33 0.00 -2.53 0.00 0.00 39.78 38.17 1pvc n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1pvc n ASP 219 N -1.00 4.68 -4.83 0.53 5.75 -1.26 -5.00 116.55 115.41 1pvc n ASP 219 Ca 0.15 -2.74 -0.37 0.00 -0.01 0.00 0.00 54.79 51.82 1pvc n ASP 219 Cb 0.07 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.52 1pvc n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1pvc s PHE 220 N -2.37 3.63 0.15 2.11 2.19 -1.04 -4.31 117.98 118.35 1pvc s PHE 220 Ca 0.47 0.73 -0.06 0.00 0.33 0.00 0.00 56.93 58.40 1pvc s PHE 220 Cb 0.34 -2.16 -0.02 0.00 -1.31 0.00 0.00 43.02 39.88 1pvc s PHE 220 CO 0.16 0.61 0.21 -1.54 1.83 0.00 0.00 175.22 176.50 1pvc s SER 221 N -0.78 0.12 0.12 6.13 1.04 -0.34 -4.99 113.70 115.01 1pvc s SER 221 Ca 0.19 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.67 1pvc s SER 221 Cb -0.14 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1pvc s SER 221 CO 0.08 -0.84 -0.09 0.68 0.98 0.00 0.00 173.24 174.04 1pvc s VAL 222 N -4.00 1.02 0.22 5.02 -7.23 -1.26 -1.45 120.40 112.72 1pvc s VAL 222 Ca 0.20 -1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1pvc s VAL 222 Cb 0.05 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.31 1pvc s VAL 222 CO 0.01 -0.72 0.53 0.00 -0.31 0.00 0.00 175.10 174.61 1pvc s ARG 223 N -3.53 1.46 -0.34 4.82 1.70 -0.96 -5.00 118.95 117.10 1pvc s ARG 223 Ca 0.13 -0.97 -0.05 0.00 -0.47 0.00 0.00 55.73 54.37 1pvc s ARG 223 Cb 0.02 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1pvc s ARG 223 CO -0.01 -0.62 0.18 -0.11 -1.08 0.00 0.00 175.30 173.66 1pvc n LEU 224 N -0.36 -7.92 -4.75 -1.89 7.94 -1.26 -2.05 117.00 106.72 1pvc n LEU 224 Ca -0.07 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.56 1pvc n LEU 224 Cb 0.62 -3.33 -0.00 0.00 0.53 0.00 0.00 43.42 41.23 1pvc n LEU 224 CO 0.18 -2.93 1.04 -0.11 -1.11 0.00 0.00 177.39 174.47 1pvc n LEU 225 N 0.40 4.32 -3.75 -1.96 7.94 -1.26 -0.63 117.00 122.06 1pvc n LEU 225 Ca 0.04 1.22 -0.10 0.00 -1.11 0.00 0.00 56.01 56.05 1pvc n LEU 225 Cb 0.13 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.47 1pvc n LEU 225 CO 0.45 -0.10 0.22 0.00 -1.11 0.00 0.00 177.39 176.85 1pvc s ARG 226 N -2.03 1.31 0.50 1.96 1.70 0.29 -4.85 118.95 117.83 1pvc s ARG 226 Ca 0.54 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.73 1pvc s ARG 226 Cb -0.51 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.29 1pvc s ARG 226 CO 0.63 -0.54 1.00 -0.51 -1.08 0.00 0.00 175.30 174.80 1pvc s ASP 227 N -2.88 6.47 0.34 -2.89 1.01 -1.26 -4.44 116.67 113.02 1pvc s ASP 227 Ca 0.09 1.73 -0.07 0.00 0.71 0.00 0.00 52.55 55.01 1pvc s ASP 227 Cb -0.00 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1pvc s ASP 227 CO -0.04 -0.69 0.65 0.28 0.21 0.00 0.00 175.17 175.58 1pvc s THR 228 N -2.34 4.92 -1.97 -1.27 -1.32 -1.25 -4.81 115.64 107.60 1pvc s THR 228 Ca 0.62 0.30 0.29 0.00 -1.21 0.00 0.00 61.69 61.70 1pvc s THR 228 Cb -0.12 -3.73 0.54 0.00 -1.51 0.00 0.00 72.50 67.68 1pvc s THR 228 CO 0.25 -0.41 1.86 0.35 -2.21 0.00 0.00 174.62 174.46 1pvc n THR 229 N -1.10 0.00 1.49 5.08 -2.24 -1.26 -4.35 114.28 111.90 1pvc n THR 229 Ca 0.00 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1pvc n THR 229 Cb 0.54 0.06 0.18 0.00 -2.10 0.00 0.00 70.33 69.01 1pvc n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pvc n HIS 230 N -0.60 0.20 -3.78 4.78 8.25 -1.26 -4.76 115.22 118.04 1pvc n HIS 230 Ca 0.17 -0.10 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1pvc n HIS 230 Cb 0.28 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 1pvc n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1pvc s ILE 231 N -1.80 0.02 0.29 1.59 1.10 -1.26 -5.17 121.20 115.98 1pvc s ILE 231 Ca 0.17 -0.18 -0.01 0.00 -0.51 0.00 0.00 60.65 60.12 1pvc s ILE 231 Cb 0.08 -0.45 0.00 0.00 0.15 0.00 0.00 42.46 42.25 1pvc s ILE 231 CO 0.12 -0.10 0.39 -1.54 -2.11 0.00 0.00 174.94 171.70 1pvc n SER 232 N 2.39 -1.07 -3.72 4.50 3.41 -1.26 -4.96 113.62 112.92 1pvc n SER 232 Ca -0.16 -2.61 -0.12 0.00 -0.26 0.00 0.00 58.87 55.72 1pvc n SER 232 Cb 0.57 2.03 -0.12 0.00 -0.26 0.00 0.00 64.21 66.44 1pvc n SER 232 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1pvc s GLN 233 N -2.72 0.32 0.30 4.33 0.74 -1.26 -5.16 119.66 116.20 1pvc s GLN 233 Ca 0.25 0.64 0.02 0.00 0.05 0.00 0.00 55.36 56.32 1pvc s GLN 233 Cb -0.01 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 1pvc s GLN 233 CO 0.18 -0.14 0.47 -1.54 -0.55 0.00 0.00 175.29 173.70 1pvc s SER 234 N 1.18 6.31 0.00 6.67 1.04 -1.26 -5.34 113.70 122.30 1pvc s SER 234 Ca -0.08 0.31 0.22 0.00 0.48 0.00 0.00 55.95 56.88 1pvc s SER 234 Cb -0.08 -1.97 1.32 0.00 0.10 0.00 0.00 66.02 65.39 1pvc s SER 234 CO -0.09 -0.19 1.70 0.00 0.98 0.00 0.00 173.24 175.63