#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnf n PRO 2 N 0.00 2.19 -1.72 0.00 -0.02 -1.26 -4.87 135.00 129.33 1pnf n PRO 2 Ca 0.00 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1pnf n PRO 2 Cb 0.00 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 1pnf n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnf n ALA 3 N 2.40 1.99 -2.24 3.55 0.00 -1.26 -4.91 120.51 120.04 1pnf n ALA 3 Ca 0.13 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 1pnf n ALA 3 Cb 0.32 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1pnf n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnf s ASP 4 N 0.34 6.87 0.39 0.00 1.01 -1.26 -5.00 116.67 119.02 1pnf s ASP 4 Ca 0.64 2.10 0.01 0.00 0.71 0.00 0.00 52.55 56.01 1pnf s ASP 4 Cb -0.55 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 40.80 1pnf s ASP 4 CO 0.51 -0.70 0.60 0.54 0.21 0.00 0.00 175.17 176.33 1pnf s ASN 5 N 1.79 6.09 -0.10 0.27 6.03 -1.26 -4.90 114.94 122.86 1pnf s ASN 5 Ca 0.63 0.36 0.02 0.00 -1.03 0.00 0.00 52.86 52.85 1pnf s ASN 5 Cb -0.31 -1.79 0.01 0.00 -3.03 0.00 0.00 41.25 36.13 1pnf s ASN 5 CO 0.26 -0.48 -0.17 -0.89 -2.03 0.00 0.00 177.10 173.80 1pnf s THR 6 N -2.42 1.56 -0.09 0.54 2.01 -1.26 -0.86 115.64 115.13 1pnf s THR 6 Ca 0.44 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1pnf s THR 6 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1pnf s THR 6 CO 0.37 0.45 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.97 1pnf s VAL 7 N 0.79 3.51 -0.16 3.82 1.01 0.73 -4.94 120.40 125.15 1pnf s VAL 7 Ca -0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1pnf s VAL 7 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1pnf s VAL 7 CO 0.02 0.57 -0.03 0.21 0.00 0.00 0.00 175.10 175.86 1pnf s ASN 8 N -0.43 4.79 -0.24 3.32 2.47 -1.26 0.07 114.94 123.65 1pnf s ASN 8 Ca 0.06 -0.15 -0.02 0.00 0.42 0.00 0.00 52.86 53.17 1pnf s ASN 8 Cb -0.12 -1.79 0.02 0.00 -1.45 0.00 0.00 41.25 37.91 1pnf s ASN 8 CO 0.02 0.15 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.86 1pnf s ILE 9 N 0.47 2.96 -0.04 -5.21 -1.09 0.13 -4.94 121.20 113.48 1pnf s ILE 9 Ca -0.03 -0.88 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 1pnf s ILE 9 Cb -0.14 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1pnf s ILE 9 CO 0.03 0.27 0.51 -0.54 -1.23 0.00 0.00 174.94 173.98 1pnf s LYS 10 N 1.36 4.23 0.00 2.79 1.02 -1.26 -0.20 119.74 127.69 1pnf s LYS 10 Ca 0.02 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1pnf s LYS 10 Cb -0.16 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1pnf s LYS 10 CO -0.05 0.38 0.00 0.25 -0.92 0.00 0.00 175.35 175.01 1pnf n THR 11 N 2.82 0.00 -1.70 2.17 -2.24 -0.93 -4.93 114.28 109.46 1pnf n THR 11 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1pnf n THR 11 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1pnf n THR 11 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pnf n PHE 12 N 0.00 2.70 -4.01 4.78 3.72 -1.23 -4.84 117.46 118.57 1pnf n PHE 12 Ca 0.00 -0.08 -0.31 0.00 -0.05 0.00 0.00 57.45 57.01 1pnf n PHE 12 Cb 0.00 -2.71 -0.15 0.00 -0.94 0.00 0.00 39.48 35.68 1pnf n PHE 12 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pnf s ASP 13 N 2.08 4.38 -1.43 4.37 2.15 -1.26 -1.26 116.67 125.70 1pnf s ASP 13 Ca 0.79 -1.56 -0.01 0.00 0.43 0.00 0.00 52.55 52.20 1pnf s ASP 13 Cb -0.48 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1pnf s ASP 13 CO 0.35 -0.26 0.34 0.29 -0.17 0.00 0.00 175.17 175.72 1pnf n LYS 14 N 4.46 -2.67 -2.80 4.34 5.02 -0.09 -4.94 118.16 121.47 1pnf n LYS 14 Ca -0.08 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.23 1pnf n LYS 14 Cb 0.42 -4.28 -0.04 0.00 -0.02 0.00 0.00 35.03 31.12 1pnf n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1pnf s VAL 15 N -4.04 4.69 -0.09 -0.18 -7.23 0.86 -4.74 120.40 109.67 1pnf s VAL 15 Ca 0.02 0.86 0.04 0.00 -1.81 0.00 0.00 61.98 61.10 1pnf s VAL 15 Cb -0.01 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1pnf s VAL 15 CO 0.91 -0.48 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.24 1pnf s LYS 16 N -3.70 2.91 -0.23 4.82 2.20 -1.26 -0.06 119.74 124.42 1pnf s LYS 16 Ca 0.54 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 55.21 1pnf s LYS 16 Cb -0.10 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1pnf s LYS 16 CO 0.28 0.26 0.06 -0.80 -0.36 0.00 0.00 175.35 174.79 1pnf s ASN 17 N 0.16 5.24 0.24 1.43 0.02 -0.16 -4.74 114.94 117.13 1pnf s ASN 17 Ca -0.13 -0.13 -0.13 0.00 -1.02 0.00 0.00 52.86 51.45 1pnf s ASN 17 Cb -0.16 -1.93 -0.00 0.00 0.02 0.00 0.00 41.25 39.18 1pnf s ASN 17 CO 0.07 0.03 0.49 0.00 0.02 0.00 0.00 177.10 177.70 1pnf s ALA 18 N 1.24 -0.32 -0.15 0.60 0.00 0.26 -1.07 121.76 122.31 1pnf s ALA 18 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1pnf s ALA 18 Cb -0.14 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1pnf s ALA 18 CO 0.03 -0.85 -0.18 0.12 0.00 0.00 0.00 175.76 174.88 1pnf s PHE 19 N -4.00 2.48 0.00 0.00 5.36 -0.98 -1.71 117.98 119.14 1pnf s PHE 19 Ca 0.21 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.81 1pnf s PHE 19 Cb -0.01 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1pnf s PHE 19 CO 0.08 -0.68 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 1pnf n GLY 20 N 4.48 -0.32 0.36 13.12 0.00 -1.26 -2.30 105.19 119.27 1pnf n GLY 20 Ca -0.19 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1pnf n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pnf h ASP 21 N 0.00 -1.23 -1.00 1.61 3.32 -2.02 -2.05 116.42 115.06 1pnf h ASP 21 Ca 0.00 0.13 -0.67 0.00 0.02 0.00 0.00 57.03 56.52 1pnf h ASP 21 Cb 0.00 0.46 -0.29 0.00 0.22 0.00 0.00 39.33 39.72 1pnf h ASP 21 CO 0.00 -0.40 0.85 0.61 -1.72 0.00 0.00 179.24 178.58 1pnf n GLY 22 N -1.35 5.79 3.44 2.75 0.00 -1.26 -4.94 105.19 109.62 1pnf n GLY 22 Ca -0.06 -2.23 -0.22 0.00 0.00 0.00 0.00 46.02 43.51 1pnf n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnf s LEU 23 N -3.79 2.59 -0.02 0.99 1.43 -0.77 -5.13 118.68 113.97 1pnf s LEU 23 Ca 0.64 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1pnf s LEU 23 Cb 0.51 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.79 1pnf s LEU 23 CO -0.00 -0.04 0.01 -0.55 0.23 0.00 0.00 176.35 175.99 1pnf s SER 24 N -3.46 0.25 0.42 2.29 0.15 -1.10 -4.44 113.70 107.80 1pnf s SER 24 Ca 0.28 -0.00 0.29 0.00 0.70 0.00 0.00 55.95 57.22 1pnf s SER 24 Cb -0.03 -0.13 1.41 0.00 -1.71 0.00 0.00 66.02 65.56 1pnf s SER 24 CO 0.13 -0.09 1.88 1.56 1.20 0.00 0.00 173.24 177.92 1pnf h GLN 25 N 7.07 0.00 -5.17 5.44 4.20 -1.63 0.75 115.11 125.76 1pnf h GLN 25 Ca -0.41 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 57.94 1pnf h GLN 25 Cb 1.14 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.74 1pnf h GLN 25 CO 0.48 0.00 -0.74 -1.54 -0.67 0.00 0.00 178.83 176.36 1pnf s SER 26 N -4.65 1.72 -0.03 1.46 1.04 -1.26 -1.40 113.70 110.58 1pnf s SER 26 Ca -0.00 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1pnf s SER 26 Cb 0.09 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1pnf s SER 26 CO 0.37 -0.22 -0.09 0.00 0.98 0.00 0.00 173.24 174.28 1pnf s ALA 27 N -2.38 0.87 0.12 5.32 0.00 0.62 -4.92 121.76 121.39 1pnf s ALA 27 Ca 0.08 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1pnf s ALA 27 Cb -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1pnf s ALA 27 CO 0.01 0.12 -0.19 -1.83 0.00 0.00 0.00 175.76 173.88 1pnf s GLU 28 N 0.29 1.12 0.08 0.00 1.03 -1.26 -0.19 118.70 119.76 1pnf s GLU 28 Ca -0.05 -1.22 -0.26 0.00 0.03 0.00 0.00 54.97 53.47 1pnf s GLU 28 Cb -0.10 -1.25 0.08 0.00 -0.80 0.00 0.00 34.13 32.07 1pnf s GLU 28 CO 0.01 0.27 0.72 0.20 -1.33 0.00 0.00 175.26 175.13 1pnf s GLY 29 N -2.18 -0.55 -0.18 -3.83 0.00 -0.27 -4.98 107.32 95.33 1pnf s GLY 29 Ca 0.09 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 45.54 1pnf s GLY 29 CO 0.05 0.31 -0.01 -1.59 0.00 0.00 0.00 173.10 171.86 1pnf s THR 30 N -3.26 4.08 0.08 0.90 2.01 -1.26 -0.40 115.64 117.78 1pnf s THR 30 Ca 0.01 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1pnf s THR 30 Cb -0.01 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1pnf s THR 30 CO -0.10 0.46 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.77 1pnf s PHE 31 N 0.60 1.41 -0.36 4.92 0.08 0.66 -4.91 117.98 120.39 1pnf s PHE 31 Ca -0.01 -0.43 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 1pnf s PHE 31 Cb -0.14 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 1pnf s PHE 31 CO 0.02 0.10 0.64 0.99 -0.10 0.00 0.00 175.22 176.88 1pnf s THR 32 N -1.19 4.88 0.07 0.64 2.01 -1.26 -0.22 115.64 120.57 1pnf s THR 32 Ca 0.01 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.61 1pnf s THR 32 Cb -0.10 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1pnf s THR 32 CO 0.03 -0.34 0.04 -0.36 -0.69 0.00 0.00 174.62 173.31 1pnf s PHE 33 N 2.73 3.12 0.48 4.92 0.40 0.04 -4.95 117.98 124.72 1pnf s PHE 33 Ca 0.25 0.05 -0.23 0.00 -0.60 0.00 0.00 56.93 56.40 1pnf s PHE 33 Cb -0.14 -1.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.70 1pnf s PHE 33 CO 0.15 0.50 1.13 -2.30 0.70 0.00 0.00 175.22 175.40 1pnf n PRO 34 N 0.64 1.47 -0.11 0.24 -0.02 -1.26 -0.41 135.00 135.56 1pnf n PRO 34 Ca -0.10 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1pnf n PRO 34 Cb 0.52 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1pnf n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnf h ALA 35 N 1.45 0.44 -2.32 3.55 0.00 -1.91 -2.97 119.26 117.50 1pnf h ALA 35 Ca -0.47 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 1pnf h ALA 35 Cb 1.33 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1pnf h ALA 35 CO 0.56 0.30 0.47 0.34 0.00 0.00 0.00 179.25 180.93 1pnf s ASP 36 N -6.28 6.96 -0.05 0.00 -1.08 -1.26 -4.55 116.67 110.41 1pnf s ASP 36 Ca -0.13 1.19 0.08 0.00 -0.52 0.00 0.00 52.55 53.17 1pnf s ASP 36 Cb 0.09 -2.47 0.17 0.00 -1.46 0.00 0.00 42.92 39.25 1pnf s ASP 36 CO 0.79 -0.46 1.11 1.33 0.52 0.00 0.00 175.17 178.47 1pnf n VAL 37 N 4.92 1.34 0.29 1.11 0.24 -1.26 -4.71 118.33 120.25 1pnf n VAL 37 Ca 0.06 -1.40 0.17 0.00 -2.04 0.00 0.00 64.34 61.13 1pnf n VAL 37 Cb 0.48 0.25 0.85 0.00 -1.47 0.00 0.00 33.84 33.95 1pnf n VAL 37 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1pnf h THR 38 N 0.48 0.22 -0.28 3.34 1.35 -1.92 -2.62 112.91 113.48 1pnf h THR 38 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1pnf h THR 38 Cb 0.74 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1pnf h THR 38 CO 0.02 0.05 0.00 0.35 -0.25 0.00 0.00 175.52 175.69 1pnf n THR 39 N -3.30 0.88 -2.16 6.82 -2.24 -1.26 -4.70 114.28 108.32 1pnf n THR 39 Ca -0.01 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 1pnf n THR 39 Cb 0.22 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1pnf n THR 39 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pnf s VAL 40 N -0.98 3.73 -0.21 2.28 1.01 -0.99 -0.82 120.40 124.41 1pnf s VAL 40 Ca 0.20 1.00 0.05 0.00 0.00 0.00 0.00 61.98 63.22 1pnf s VAL 40 Cb 0.11 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.64 1pnf s VAL 40 CO 0.14 -0.05 -0.03 1.17 0.00 0.00 0.00 175.10 176.33 1pnf n LYS 41 N 6.25 0.67 -3.73 2.72 3.00 0.30 -4.50 118.16 122.87 1pnf n LYS 41 Ca 0.15 0.14 -0.14 0.00 -0.00 0.00 0.00 58.31 58.46 1pnf n LYS 41 Cb 0.43 -1.56 -0.09 0.00 0.00 0.00 0.00 35.03 33.81 1pnf n LYS 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1pnf s THR 42 N -2.52 0.04 -0.07 3.15 2.01 -1.05 -4.95 115.64 112.23 1pnf s THR 42 Ca -0.26 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1pnf s THR 42 Cb 0.08 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.98 1pnf s THR 42 CO 0.69 -0.16 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 1pnf s ILE 43 N -0.89 0.52 -0.10 1.82 1.01 -1.26 -0.67 121.20 121.63 1pnf s ILE 43 Ca -0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1pnf s ILE 43 Cb -0.04 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 1pnf s ILE 43 CO 0.04 0.27 -0.09 -0.54 0.00 0.00 0.00 174.94 174.61 1pnf s LYS 44 N 1.66 3.13 -0.14 2.79 -0.14 -0.04 -1.32 119.74 125.69 1pnf s LYS 44 Ca 0.01 -0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 53.97 1pnf s LYS 44 Cb -0.13 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1pnf s LYS 44 CO -0.04 0.42 0.02 1.41 -0.76 0.00 0.00 175.35 176.40 1pnf s MET 45 N -0.16 3.52 -0.15 1.68 -2.45 0.52 -0.68 119.30 121.57 1pnf s MET 45 Ca 0.01 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1pnf s MET 45 Cb -0.13 -2.99 0.01 0.00 1.25 0.00 0.00 34.83 32.96 1pnf s MET 45 CO 0.03 0.46 -0.20 -0.06 1.05 0.00 0.00 175.02 176.29 1pnf s PHE 46 N -0.18 2.71 -0.25 4.11 0.40 -0.09 -0.88 117.98 123.80 1pnf s PHE 46 Ca 0.06 -1.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.01 1pnf s PHE 46 Cb -0.12 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.57 1pnf s PHE 46 CO 0.02 -0.62 -0.02 0.42 0.70 0.00 0.00 175.22 175.72 1pnf s ILE 47 N 0.90 3.33 -0.21 0.64 1.01 0.25 -2.03 121.20 125.09 1pnf s ILE 47 Ca -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1pnf s ILE 47 Cb -0.15 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1pnf s ILE 47 CO -0.03 0.26 0.01 -0.54 0.00 0.00 0.00 174.94 174.64 1pnf s LYS 48 N 1.43 3.62 -0.32 2.79 1.02 -0.11 0.02 119.74 128.18 1pnf s LYS 48 Ca 0.03 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 1pnf s LYS 48 Cb -0.16 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1pnf s LYS 48 CO -0.02 -0.04 0.11 1.21 -0.92 0.00 0.00 175.35 175.69 1pnf s ASN 49 N 1.16 5.30 -0.51 2.83 3.04 -1.26 -1.22 114.94 124.28 1pnf s ASN 49 Ca 0.03 -0.88 -0.22 0.00 0.04 0.00 0.00 52.86 51.84 1pnf s ASN 49 Cb -0.14 -1.91 0.04 0.00 -1.54 0.00 0.00 41.25 37.70 1pnf s ASN 49 CO 0.02 -0.26 0.76 -1.61 -3.04 0.00 0.00 177.10 172.96 1pnf s GLU 50 N 1.48 3.24 -0.47 0.43 8.01 -0.53 -1.68 118.70 129.19 1pnf s GLU 50 Ca 0.01 -0.52 0.07 0.00 0.01 0.00 0.00 54.97 54.54 1pnf s GLU 50 Cb -0.18 -4.05 0.23 0.00 -4.31 0.00 0.00 34.13 25.82 1pnf s GLU 50 CO 0.03 -1.29 0.54 0.00 0.01 0.00 0.00 175.26 174.56 1pnf s PRO 52 N -1.27 3.96 -1.61 0.00 0.04 -1.26 -3.71 135.00 131.15 1pnf s PRO 52 Ca 0.35 0.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 1pnf s PRO 52 Cb 0.13 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1pnf s PRO 52 CO -0.11 -0.06 0.79 0.09 0.04 0.00 0.00 177.00 177.76 1pnf n ASN 53 N -1.04 -3.28 -4.09 6.66 3.02 -1.26 -2.00 115.26 113.27 1pnf n ASN 53 Ca 0.05 -0.94 -0.34 0.00 -0.03 0.00 0.00 54.58 53.31 1pnf n ASN 53 Cb 0.54 -3.15 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 1pnf n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pnf n LYS 54 N -4.47 -3.35 -0.09 3.52 4.76 -1.26 -4.83 118.16 112.44 1pnf n LYS 54 Ca 0.01 0.39 0.08 0.00 -2.87 0.00 0.00 58.31 55.92 1pnf n LYS 54 Cb 0.53 -5.14 0.32 0.00 -1.84 0.00 0.00 35.03 28.90 1pnf n LYS 54 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1pnf n THR 55 N -4.33 0.23 -4.60 -0.18 -2.24 -0.85 -4.91 114.28 97.40 1pnf n THR 55 Ca 0.07 -0.31 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 1pnf n THR 55 Cb 0.50 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.84 1pnf n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pnf s ASP 57 N -3.68 5.05 0.00 0.00 -1.08 0.06 -4.83 116.67 112.18 1pnf s ASP 57 Ca 0.34 1.19 0.08 0.00 -0.52 0.00 0.00 52.55 53.64 1pnf s ASP 57 Cb 0.08 -2.51 0.34 0.00 -1.46 0.00 0.00 42.92 39.37 1pnf s ASP 57 CO 0.18 -2.39 1.24 -1.84 0.52 0.00 0.00 175.17 172.87 1pnf n GLU 58 N 8.90 0.01 -1.59 4.34 0.00 -1.26 -4.77 120.64 126.26 1pnf n GLU 58 Ca 0.30 0.35 -0.32 0.00 0.00 0.00 0.00 57.16 57.50 1pnf n GLU 58 Cb 0.51 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.50 1pnf n GLU 58 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1pnf s TRP 59 N -2.96 2.84 -0.82 -1.84 0.52 -1.26 -0.80 118.94 114.62 1pnf s TRP 59 Ca 0.04 1.50 -0.23 0.00 0.02 0.00 0.00 56.10 57.43 1pnf s TRP 59 Cb 0.05 -3.00 0.07 0.00 -1.15 0.00 0.00 33.47 29.44 1pnf s TRP 59 CO 0.14 -1.46 1.18 0.16 0.02 0.00 0.00 176.95 176.99 1pnf s ASP 60 N -3.27 6.34 0.15 2.95 -4.77 -1.26 -4.59 116.67 112.21 1pnf s ASP 60 Ca 0.62 -1.19 -0.05 0.00 -3.30 0.00 0.00 52.55 48.63 1pnf s ASP 60 Cb -0.16 -2.48 -0.06 0.00 -1.09 0.00 0.00 42.92 39.13 1pnf s ASP 60 CO 0.50 -1.47 0.39 -0.13 0.70 0.00 0.00 175.17 175.15 1pnf s ARG 61 N 4.38 3.62 0.19 2.11 1.81 -1.25 -4.74 118.95 125.07 1pnf s ARG 61 Ca 0.33 -0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.95 1pnf s ARG 61 Cb -0.08 -2.84 -0.08 0.00 -0.45 0.00 0.00 34.95 31.49 1pnf s ARG 61 CO 0.03 0.45 1.26 -0.47 -0.68 0.00 0.00 175.30 175.90 1pnf s TYR 62 N -1.68 3.32 0.01 -0.53 6.14 -1.26 -0.50 117.35 122.85 1pnf s TYR 62 Ca 0.41 1.30 -0.13 0.00 0.64 0.00 0.00 57.07 59.29 1pnf s TYR 62 Cb -0.12 -3.54 0.02 0.00 0.42 0.00 0.00 41.96 38.74 1pnf s TYR 62 CO 0.25 -1.61 0.28 0.00 0.64 0.00 0.00 175.55 175.11 1pnf s ALA 63 N 0.03 -0.67 0.18 3.97 0.00 -0.51 -0.58 121.76 124.19 1pnf s ALA 63 Ca 0.55 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1pnf s ALA 63 Cb -0.35 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1pnf s ALA 63 CO 0.38 -0.31 0.62 0.54 0.00 0.00 0.00 175.76 176.98 1pnf s ASN 64 N -1.64 -0.50 -0.02 0.00 2.20 -0.50 -1.42 114.94 113.06 1pnf s ASN 64 Ca -0.10 -0.14 0.07 0.00 -0.94 0.00 0.00 52.86 51.76 1pnf s ASN 64 Cb -0.04 0.62 -0.02 0.00 -2.00 0.00 0.00 41.25 39.82 1pnf s ASN 64 CO 0.01 -1.05 -0.24 -0.69 -2.94 0.00 0.00 177.10 172.19 1pnf s VAL 65 N -3.79 1.91 0.13 3.54 1.01 -0.25 -1.20 120.40 121.75 1pnf s VAL 65 Ca 0.03 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1pnf s VAL 65 Cb -0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1pnf s VAL 65 CO -0.09 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 1pnf s TYR 66 N -0.56 1.62 -0.02 5.22 1.51 0.09 -0.08 117.35 125.13 1pnf s TYR 66 Ca 0.09 -0.49 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1pnf s TYR 66 Cb -0.09 -0.84 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1pnf s TYR 66 CO -0.01 0.22 -0.22 0.54 -1.11 0.00 0.00 175.55 174.97 1pnf s VAL 67 N -1.87 2.43 -0.04 0.71 0.11 -0.35 -1.73 120.40 119.66 1pnf s VAL 67 Ca 0.10 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.94 1pnf s VAL 67 Cb -0.06 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 1pnf s VAL 67 CO 0.05 0.55 0.57 -0.75 -3.33 0.00 0.00 175.10 172.18 1pnf s LYS 68 N -0.76 4.32 -0.40 1.54 2.47 -0.73 -0.50 119.74 125.69 1pnf s LYS 68 Ca 0.11 0.66 -0.29 0.00 -1.56 0.00 0.00 55.97 54.89 1pnf s LYS 68 Cb -0.10 -3.38 0.01 0.00 -1.46 0.00 0.00 37.83 32.90 1pnf s LYS 68 CO 0.00 0.29 1.31 1.21 0.16 0.00 0.00 175.35 178.32 1pnf s ASN 69 N 0.12 6.50 0.51 1.43 3.84 0.25 -4.72 114.94 122.86 1pnf s ASN 69 Ca 0.30 0.85 0.27 0.00 0.21 0.00 0.00 52.86 54.48 1pnf s ASN 69 Cb -0.17 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.35 1pnf s ASN 69 CO 0.15 -1.29 1.90 0.11 -2.79 0.00 0.00 177.10 175.18 1pnf h LYS 70 N 9.95 0.10 0.09 0.43 1.57 -1.93 0.49 116.57 127.27 1pnf h LYS 70 Ca -0.26 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.15 1pnf h LYS 70 Cb 1.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1pnf h LYS 70 CO 1.08 0.07 -2.03 0.25 -0.57 0.00 0.00 179.45 178.24 1pnf n THR 71 N -4.35 1.70 0.08 -0.16 -2.24 -1.26 -4.46 114.28 103.59 1pnf n THR 71 Ca 0.17 -0.57 0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1pnf n THR 71 Cb 0.82 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.31 1pnf n THR 71 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pnf n THR 72 N -3.56 0.62 -0.99 4.28 -2.24 -1.12 -4.96 114.28 106.30 1pnf n THR 72 Ca -0.35 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1pnf n THR 72 Cb 0.99 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1pnf n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnf n GLY 73 N 1.21 0.81 3.75 3.38 0.00 0.17 -5.01 105.19 109.51 1pnf n GLY 73 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1pnf n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pnf s GLU 74 N -0.03 4.75 -0.06 1.61 2.12 -1.25 -4.69 118.70 121.14 1pnf s GLU 74 Ca 0.00 1.39 -0.24 0.00 0.36 0.00 0.00 54.97 56.48 1pnf s GLU 74 Cb 0.00 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1pnf s GLU 74 CO 0.00 0.48 0.75 -1.58 -0.54 0.00 0.00 175.26 174.36 1pnf s TRP 75 N -0.96 3.58 -0.17 5.30 0.52 -1.26 -0.58 118.94 125.37 1pnf s TRP 75 Ca 0.41 1.31 -0.02 0.00 0.02 0.00 0.00 56.10 57.81 1pnf s TRP 75 Cb -0.25 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.20 1pnf s TRP 75 CO 0.30 0.05 -0.08 0.71 0.02 0.00 0.00 176.95 177.95 1pnf s TYR 76 N 0.91 2.91 -0.32 -1.98 2.02 0.34 -4.92 117.35 116.31 1pnf s TYR 76 Ca 0.40 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 1pnf s TYR 76 Cb -0.18 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 1pnf s TYR 76 CO 0.19 -0.32 1.67 -2.00 -1.57 0.00 0.00 175.55 173.52 1pnf s GLU 77 N 0.81 3.50 0.07 -0.62 2.12 -1.26 -1.21 118.70 122.10 1pnf s GLU 77 Ca -0.03 1.38 0.23 0.00 0.36 0.00 0.00 54.97 56.90 1pnf s GLU 77 Cb -0.15 -4.12 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 1pnf s GLU 77 CO 0.01 -1.65 0.92 0.44 -0.54 0.00 0.00 175.26 174.44 1pnf n ILE 78 N 7.11 0.23 -3.54 -3.70 -5.35 0.89 -4.98 119.36 110.01 1pnf n ILE 78 Ca 0.20 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1pnf n ILE 78 Cb 0.47 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 1pnf n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pnf s GLY 79 N -3.96 -0.42 -0.00 3.28 0.00 -1.15 -4.80 107.32 100.27 1pnf s GLY 79 Ca 0.01 1.63 -0.02 0.00 0.00 0.00 0.00 44.72 46.34 1pnf s GLY 79 CO 0.82 0.95 0.03 -1.60 0.00 0.00 0.00 173.10 173.30 1pnf s ARG 80 N -1.29 0.20 0.17 2.90 3.52 -1.26 -1.09 118.95 122.09 1pnf s ARG 80 Ca -0.06 -0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.14 1pnf s ARG 80 Cb -0.00 0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.49 1pnf s ARG 80 CO 0.05 -0.04 0.45 -0.59 -0.81 0.00 0.00 175.30 174.36 1pnf s PHE 81 N -0.70 -0.07 -0.17 5.12 -0.71 -0.51 -0.25 117.98 120.70 1pnf s PHE 81 Ca -0.08 -0.27 -0.03 0.00 -1.04 0.00 0.00 56.93 55.52 1pnf s PHE 81 Cb -0.05 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.03 1pnf s PHE 81 CO -0.00 -0.82 -0.07 0.42 -1.34 0.00 0.00 175.22 173.41 1pnf s ILE 82 N -3.87 3.45 0.56 -4.49 -1.09 -0.72 -1.42 121.20 113.63 1pnf s ILE 82 Ca 0.08 -0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 57.80 1pnf s ILE 82 Cb 0.01 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1pnf s ILE 82 CO -0.05 0.48 1.24 0.42 -1.23 0.00 0.00 174.94 175.80 1pnf s THR 83 N 0.70 2.57 0.78 2.92 -4.23 0.35 -0.12 115.64 118.60 1pnf s THR 83 Ca -0.04 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1pnf s THR 83 Cb -0.15 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.58 1pnf s THR 83 CO 0.02 -0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.98 1pnf s PRO 84 N -3.13 2.26 0.32 3.99 0.04 -1.26 -2.42 135.00 134.81 1pnf s PRO 84 Ca 0.74 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 1pnf s PRO 84 Cb -0.33 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1pnf s PRO 84 CO 0.37 -1.51 1.01 0.71 0.04 0.00 0.00 177.00 177.62 1pnf s TYR 85 N -3.14 3.58 0.00 0.56 1.51 -1.26 -4.39 117.35 114.21 1pnf s TYR 85 Ca 0.60 1.74 0.00 0.00 -1.01 0.00 0.00 57.07 58.40 1pnf s TYR 85 Cb -0.14 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1pnf s TYR 85 CO 0.54 -0.19 0.00 0.91 -1.11 0.00 0.00 175.55 175.70 1pnf n TRP 86 N 0.65 0.00 -4.26 2.71 7.02 0.02 -4.58 117.44 119.00 1pnf n TRP 86 Ca 0.02 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.21 1pnf n TRP 86 Cb 0.48 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.33 1pnf n TRP 86 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1pnf s VAL 87 N 0.00 1.62 0.00 -0.99 -7.23 -1.26 -4.38 120.40 108.15 1pnf s VAL 87 Ca 0.00 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1pnf s VAL 87 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1pnf s VAL 87 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1pnf n GLY 88 N -1.47 1.96 1.61 2.32 0.00 -1.24 -4.40 105.19 103.98 1pnf n GLY 88 Ca -0.08 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.12 1pnf n GLY 88 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pnf n THR 89 N 0.00 2.05 -0.31 2.61 -2.24 -0.68 -4.66 114.28 111.05 1pnf n THR 89 Ca 0.00 -1.27 0.35 0.00 -2.27 0.00 0.00 64.05 60.85 1pnf n THR 89 Cb 0.00 0.03 0.75 0.00 -2.10 0.00 0.00 70.33 69.01 1pnf n THR 89 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1pnf h GLU 90 N 3.95 0.00 0.00 -0.78 9.09 -1.96 0.48 114.58 125.36 1pnf h GLU 90 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pnf h GLU 90 Cb 1.56 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.66 1pnf h GLU 90 CO 0.29 0.00 -0.01 0.87 0.05 0.00 0.00 179.01 180.21 1pnf h LYS 91 N 0.00 0.00 -4.48 1.06 1.79 -1.91 -3.32 116.57 109.72 1pnf h LYS 91 Ca 0.55 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 58.31 1pnf h LYS 91 Cb 2.25 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 32.61 1pnf h LYS 91 CO -0.01 0.01 -0.49 -0.51 -1.08 0.00 0.00 179.45 177.37 1pnf s LEU 92 N -7.48 5.07 0.29 2.94 1.43 0.17 -4.95 118.68 116.15 1pnf s LEU 92 Ca -0.05 -1.49 0.04 0.00 -1.03 0.00 0.00 54.13 51.60 1pnf s LEU 92 Cb 0.15 -1.96 0.73 0.00 0.03 0.00 0.00 46.19 45.13 1pnf s LEU 92 CO 0.53 -0.51 1.72 1.55 0.23 0.00 0.00 176.35 179.86 1pnf h PRO 93 N 8.36 0.47 -0.02 1.29 0.13 -1.78 -0.06 132.00 140.40 1pnf h PRO 93 Ca -0.22 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pnf h PRO 93 Cb 1.08 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1pnf h PRO 93 CO 0.74 0.31 -0.16 0.54 -0.23 0.00 0.00 178.00 179.20 1pnf n ARG 94 N -4.97 1.62 0.00 0.86 1.74 -1.26 -5.06 116.66 109.59 1pnf n ARG 94 Ca 0.22 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1pnf n ARG 94 Cb 0.63 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1pnf n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pnf n GLY 95 N 1.32 -2.34 3.73 -0.13 0.00 -0.04 -4.39 105.19 103.34 1pnf n GLY 95 Ca 0.14 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1pnf n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnf s LEU 96 N 0.00 4.43 -0.14 0.99 1.43 0.10 -4.74 118.68 120.75 1pnf s LEU 96 Ca 0.00 2.20 -0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1pnf s LEU 96 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1pnf s LEU 96 CO 0.00 -0.41 -0.09 -0.70 0.23 0.00 0.00 176.35 175.39 1pnf s GLU 97 N 0.08 3.49 -0.05 1.70 2.12 -1.26 -0.59 118.70 124.19 1pnf s GLU 97 Ca 0.55 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1pnf s GLU 97 Cb -0.32 -2.75 0.02 0.00 0.26 0.00 0.00 34.13 31.34 1pnf s GLU 97 CO 0.35 0.25 -0.04 0.42 -0.54 0.00 0.00 175.26 175.70 1pnf s ILE 98 N 0.30 0.52 -0.16 -3.70 1.01 -0.05 -4.95 121.20 114.16 1pnf s ILE 98 Ca -0.07 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1pnf s ILE 98 Cb -0.15 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 1pnf s ILE 98 CO 0.04 0.24 1.25 -0.62 0.00 0.00 0.00 174.94 175.85 1pnf s ASP 99 N 1.15 6.96 -0.15 3.58 -1.08 -1.26 -0.36 116.67 125.51 1pnf s ASP 99 Ca -0.07 1.69 0.18 0.00 -0.52 0.00 0.00 52.55 53.82 1pnf s ASP 99 Cb -0.14 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.16 1pnf s ASP 99 CO -0.01 -0.74 1.24 1.33 0.52 0.00 0.00 175.17 177.51 1pnf n VAL 100 N 5.30 2.05 -0.32 1.11 0.24 -0.43 -4.77 118.33 121.52 1pnf n VAL 100 Ca 0.14 -2.24 0.17 0.00 -2.04 0.00 0.00 64.34 60.36 1pnf n VAL 100 Cb 0.45 -0.25 0.41 0.00 -1.47 0.00 0.00 33.84 32.99 1pnf n VAL 100 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1pnf h THR 101 N 0.60 0.66 -0.11 3.34 2.02 -1.88 0.02 112.91 117.56 1pnf h THR 101 Ca 0.01 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1pnf h THR 101 Cb 1.15 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1pnf h THR 101 CO 0.08 0.11 0.33 0.44 0.37 0.00 0.00 175.52 176.85 1pnf h ASP 102 N 0.59 0.00 -0.53 4.18 3.32 -1.92 0.42 116.42 122.48 1pnf h ASP 102 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1pnf h ASP 102 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1pnf h ASP 102 CO -0.31 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.70 1pnf n PHE 103 N -3.15 1.44 -0.05 4.55 3.72 -0.01 -4.65 117.46 119.31 1pnf n PHE 103 Ca 0.00 -0.68 0.18 0.00 -0.05 0.00 0.00 57.45 56.91 1pnf n PHE 103 Cb 0.41 -0.30 0.62 0.00 -0.94 0.00 0.00 39.48 39.27 1pnf n PHE 103 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1pnf h LYS 104 N 3.46 0.15 0.00 -1.08 2.10 -1.01 0.11 116.57 120.29 1pnf h LYS 104 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1pnf h LYS 104 Cb 1.52 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.81 1pnf h LYS 104 CO 0.27 0.10 -0.12 0.66 -2.00 0.00 0.00 179.45 178.36 1pnf h SER 105 N 0.15 0.00 0.45 7.07 4.64 -1.84 -2.88 113.55 121.15 1pnf h SER 105 Ca 0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1pnf h SER 105 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1pnf h SER 105 CO -0.04 0.12 -1.59 0.18 -0.87 0.00 0.00 176.83 174.63 1pnf n LEU 106 N -3.47 0.42 -3.89 5.97 7.99 0.32 -4.54 117.00 119.80 1pnf n LEU 106 Ca -0.01 0.17 -0.42 0.00 -0.01 0.00 0.00 56.01 55.73 1pnf n LEU 106 Cb 0.28 0.02 0.01 0.00 -0.11 0.00 0.00 43.42 43.62 1pnf n LEU 106 CO 0.30 -0.01 1.55 0.18 -1.51 0.00 0.00 177.39 177.89 1pnf n LEU 107 N -2.53 6.70 -3.79 2.23 4.77 -0.85 -4.86 117.00 118.67 1pnf n LEU 107 Ca -0.05 -5.00 -0.13 0.00 -0.03 0.00 0.00 56.01 50.80 1pnf n LEU 107 Cb 0.64 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.27 1pnf n LEU 107 CO 0.43 1.63 -0.12 -0.44 -1.33 0.00 0.00 177.39 177.56 1pnf s SER 108 N -0.65 -0.23 0.75 -1.43 0.01 -1.26 -4.77 113.70 106.11 1pnf s SER 108 Ca 0.36 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1pnf s SER 108 Cb 0.09 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1pnf s SER 108 CO 0.04 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1pnf n GLY 109 N 3.10 -0.26 3.59 3.44 0.00 0.45 -4.40 105.19 111.11 1pnf n GLY 109 Ca -0.14 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1pnf n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnf s ASN 110 N -4.00 5.88 -0.08 1.61 -0.87 -1.26 -0.78 114.94 115.43 1pnf s ASN 110 Ca 0.00 0.87 0.03 0.00 -1.57 0.00 0.00 52.86 52.19 1pnf s ASN 110 Cb 0.00 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.68 1pnf s ASN 110 CO 0.00 -1.80 -0.17 -0.89 -2.57 0.00 0.00 177.10 171.67 1pnf s THR 111 N 6.97 2.78 -0.03 1.60 2.01 0.69 -4.89 115.64 124.76 1pnf s THR 111 Ca 0.70 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 1pnf s THR 111 Cb -0.17 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1pnf s THR 111 CO 0.30 0.56 0.50 -0.70 -0.69 0.00 0.00 174.62 174.58 1pnf s GLU 112 N -0.13 4.20 0.18 4.92 2.12 -1.26 -0.24 118.70 128.48 1pnf s GLU 112 Ca -0.02 0.55 0.08 0.00 0.36 0.00 0.00 54.97 55.94 1pnf s GLU 112 Cb -0.14 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1pnf s GLU 112 CO 0.04 0.42 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.50 1pnf s LEU 113 N -0.29 2.48 -0.01 2.70 1.43 0.46 -1.77 118.68 123.68 1pnf s LEU 113 Ca 0.27 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1pnf s LEU 113 Cb -0.17 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1pnf s LEU 113 CO 0.14 -0.07 0.00 -0.75 0.23 0.00 0.00 176.35 175.91 1pnf s LYS 114 N -3.05 0.09 -0.09 1.70 2.20 -0.70 -1.11 119.74 118.76 1pnf s LYS 114 Ca 0.18 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1pnf s LYS 114 Cb -0.04 -0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 1pnf s LYS 114 CO 0.07 -0.07 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.29 1pnf s ILE 115 N 0.52 1.78 0.07 5.43 2.07 0.73 -0.73 121.20 131.08 1pnf s ILE 115 Ca -0.05 -0.85 0.06 0.00 -1.41 0.00 0.00 60.65 58.40 1pnf s ILE 115 Cb -0.07 -1.56 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 1pnf s ILE 115 CO -0.01 0.50 -0.17 -0.47 -1.91 0.00 0.00 174.94 172.88 1pnf s TYR 116 N 0.47 1.44 -0.01 3.50 6.14 -0.34 -0.27 117.35 128.27 1pnf s TYR 116 Ca -0.17 -0.42 0.01 0.00 0.64 0.00 0.00 57.07 57.12 1pnf s TYR 116 Cb -0.17 -0.81 0.01 0.00 0.42 0.00 0.00 41.96 41.41 1pnf s TYR 116 CO 0.07 0.10 -0.01 0.99 0.64 0.00 0.00 175.55 177.34 1pnf s THR 117 N -1.13 0.15 -0.71 4.34 2.01 -0.49 -1.41 115.64 118.41 1pnf s THR 117 Ca 0.02 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1pnf s THR 117 Cb -0.10 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.14 1pnf s THR 117 CO 0.03 0.08 3.09 1.21 -0.69 0.00 0.00 174.62 178.33 1pnf n GLU 118 N 3.48 2.91 -2.96 4.92 2.13 0.26 -4.76 120.64 126.62 1pnf n GLU 118 Ca -0.18 -1.98 -0.40 0.00 0.66 0.00 0.00 57.16 55.26 1pnf n GLU 118 Cb 0.56 -2.33 -0.06 0.00 0.27 0.00 0.00 31.44 29.88 1pnf n GLU 118 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1pnf s THR 119 N 0.23 4.48 -0.10 6.31 -1.32 -1.26 -4.73 115.64 119.25 1pnf s THR 119 Ca 0.64 1.71 0.09 0.00 -1.21 0.00 0.00 61.69 62.92 1pnf s THR 119 Cb 0.28 -4.15 0.15 0.00 -1.51 0.00 0.00 72.50 67.27 1pnf s THR 119 CO -0.08 0.46 1.09 0.79 -2.21 0.00 0.00 174.62 174.67 1pnf n TRP 120 N 2.05 0.05 -4.53 9.09 7.02 -1.26 -4.36 117.44 125.50 1pnf n TRP 120 Ca -0.04 -0.71 -0.29 0.00 -1.02 0.00 0.00 57.50 55.44 1pnf n TRP 120 Cb 0.49 -0.10 -0.13 0.00 -2.42 0.00 0.00 31.31 29.15 1pnf n TRP 120 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1pnf s LEU 121 N -1.81 2.27 0.48 -0.99 1.43 -1.26 -4.83 118.68 113.97 1pnf s LEU 121 Ca 0.15 -0.70 0.16 0.00 -1.03 0.00 0.00 54.13 52.72 1pnf s LEU 121 Cb 0.13 -1.22 1.13 0.00 0.03 0.00 0.00 46.19 46.27 1pnf s LEU 121 CO 0.02 0.19 2.04 0.00 0.23 0.00 0.00 176.35 178.84 1pnf h ALA 122 N 4.16 1.72 -0.81 4.21 0.00 -1.85 -1.72 119.26 124.97 1pnf h ALA 122 Ca -0.49 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.37 1pnf h ALA 122 Cb 1.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1pnf h ALA 122 CO 0.40 0.16 0.53 0.87 0.00 0.00 0.00 179.25 181.21 1pnf h LYS 123 N 0.00 0.83 0.00 0.00 1.57 -1.87 -3.41 116.57 113.69 1pnf h LYS 123 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pnf h LYS 123 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1pnf h LYS 123 CO 0.02 0.55 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 1pnf n GLY 124 N -1.43 0.95 2.90 3.86 0.00 -0.68 -4.47 105.19 106.31 1pnf n GLY 124 Ca 0.12 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1pnf n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnf s ARG 125 N 0.00 0.07 -0.08 1.61 1.81 -0.23 -0.76 118.95 121.37 1pnf s ARG 125 Ca 0.00 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 53.92 1pnf s ARG 125 Cb 0.00 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1pnf s ARG 125 CO 0.00 -0.01 -0.13 -2.00 -0.68 0.00 0.00 175.30 172.47 1pnf s GLU 126 N -0.28 2.83 0.12 3.54 2.12 -1.26 -0.99 118.70 124.78 1pnf s GLU 126 Ca -0.03 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.63 1pnf s GLU 126 Cb -0.02 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1pnf s GLU 126 CO -0.00 0.48 -0.04 0.71 -0.54 0.00 0.00 175.26 175.87 1pnf s TYR 127 N -0.35 0.95 -0.03 5.30 2.02 0.91 -1.45 117.35 124.70 1pnf s TYR 127 Ca 0.04 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 1pnf s TYR 127 Cb -0.12 -0.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1pnf s TYR 127 CO 0.02 -0.19 0.00 -1.12 -1.57 0.00 0.00 175.55 172.70 1pnf s SER 128 N -3.07 0.46 -0.08 2.29 0.01 -0.36 -0.10 113.70 112.85 1pnf s SER 128 Ca 0.15 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.41 1pnf s SER 128 Cb 0.06 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.08 1pnf s SER 128 CO -0.03 -0.11 -0.15 -0.69 0.41 0.00 0.00 173.24 172.67 1pnf s VAL 129 N 1.09 1.40 0.15 3.43 1.01 -0.39 -0.93 120.40 126.16 1pnf s VAL 129 Ca -0.09 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1pnf s VAL 129 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1pnf s VAL 129 CO -0.02 0.42 -0.10 1.51 0.00 0.00 0.00 175.10 176.91 1pnf s ASP 130 N 0.70 1.80 -0.01 3.32 -4.77 -0.86 -2.18 116.67 114.67 1pnf s ASP 130 Ca -0.13 -1.02 0.04 0.00 -3.30 0.00 0.00 52.55 48.14 1pnf s ASP 130 Cb -0.16 -0.01 -0.01 0.00 -1.09 0.00 0.00 42.92 41.65 1pnf s ASP 130 CO 0.03 -0.33 -0.13 -0.36 0.70 0.00 0.00 175.17 175.08 1pnf s PHE 131 N -3.32 1.15 -0.24 2.11 0.40 0.73 -0.92 117.98 117.89 1pnf s PHE 131 Ca 0.17 -0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.20 1pnf s PHE 131 Cb 0.03 -0.75 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 1pnf s PHE 131 CO 0.01 -0.03 0.06 -0.51 0.70 0.00 0.00 175.22 175.44 1pnf s ASP 132 N -0.25 5.11 -0.23 1.36 1.01 0.14 0.22 116.67 124.02 1pnf s ASP 132 Ca 0.04 -0.19 -0.06 0.00 0.71 0.00 0.00 52.55 53.05 1pnf s ASP 132 Cb -0.05 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 1pnf s ASP 132 CO -0.00 -0.01 0.02 -0.63 0.21 0.00 0.00 175.17 174.76 1pnf s ILE 133 N 1.44 3.96 -0.24 0.77 1.01 0.11 -0.86 121.20 127.40 1pnf s ILE 133 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1pnf s ILE 133 Cb -0.15 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1pnf s ILE 133 CO 0.03 0.38 0.03 -0.69 0.00 0.00 0.00 174.94 174.69 1pnf s VAL 134 N 1.47 3.99 0.09 2.92 1.01 0.15 -0.19 120.40 129.84 1pnf s VAL 134 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1pnf s VAL 134 Cb -0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1pnf s VAL 134 CO 0.01 0.37 0.34 -0.31 0.00 0.00 0.00 175.10 175.51 1pnf s TYR 135 N 1.57 3.52 0.00 5.22 1.51 -0.04 -0.54 117.35 128.60 1pnf s TYR 135 Ca 0.06 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 56.69 1pnf s TYR 135 Cb -0.15 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1pnf s TYR 135 CO 0.01 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 1pnf n GLY 136 N 0.49 1.05 2.65 0.71 0.00 -0.00 -4.19 105.19 105.91 1pnf n GLY 136 Ca -0.06 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1pnf n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnf s THR 137 N 1.88 1.17 0.65 2.61 2.01 -1.26 -4.74 115.64 117.95 1pnf s THR 137 Ca 0.00 -2.49 -0.17 0.00 0.31 0.00 0.00 61.69 59.33 1pnf s THR 137 Cb 0.00 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1pnf s THR 137 CO 0.00 -0.94 1.22 -2.16 -0.69 0.00 0.00 174.62 172.05 1pnf s PRO 138 N 0.37 2.64 0.39 4.92 0.04 -1.26 -4.88 135.00 137.23 1pnf s PRO 138 Ca 0.19 1.84 0.10 0.00 0.04 0.00 0.00 61.00 63.17 1pnf s PRO 138 Cb -0.21 -1.88 0.79 0.00 0.04 0.00 0.00 34.50 33.24 1pnf s PRO 138 CO -0.02 -1.47 1.91 -0.44 0.04 0.00 0.00 177.00 177.03 1pnf h ASP 139 N 0.45 0.19 -3.32 6.66 3.32 -1.98 -3.40 116.42 118.34 1pnf h ASP 139 Ca -0.50 -0.04 -0.67 0.00 0.02 0.00 0.00 57.03 55.84 1pnf h ASP 139 Cb 1.30 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.49 1pnf h ASP 139 CO 0.53 0.37 -0.84 -0.31 -1.72 0.00 0.00 179.24 177.27 1pnf s TYR 140 N -4.68 2.65 0.28 4.55 2.02 -1.26 -4.86 117.35 116.04 1pnf s TYR 140 Ca -0.05 -0.95 0.05 0.00 -0.37 0.00 0.00 57.07 55.75 1pnf s TYR 140 Cb 0.15 -1.76 0.40 0.00 -0.40 0.00 0.00 41.96 40.35 1pnf s TYR 140 CO 0.73 -0.37 1.67 -0.22 -1.57 0.00 0.00 175.55 175.79 1pnf h LYS 141 N 6.77 0.29 -6.64 -0.62 3.64 -1.78 -3.45 116.57 114.77 1pnf h LYS 141 Ca -0.22 -0.14 -0.65 0.00 -1.27 0.00 0.00 60.65 58.36 1pnf h LYS 141 Cb 1.23 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.85 1pnf h LYS 141 CO 0.50 0.67 -0.84 0.71 -2.27 0.00 0.00 179.45 178.22 1pnf s TYR 142 N -4.12 2.25 0.00 1.91 2.02 -0.29 -4.53 117.35 114.59 1pnf s TYR 142 Ca -0.05 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 1pnf s TYR 142 Cb 0.13 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.56 1pnf s TYR 142 CO 0.78 0.42 0.32 -1.54 -1.57 0.00 0.00 175.55 173.96 1pnf s SER 143 N -2.43 -0.18 -0.01 2.29 1.04 -1.26 -1.92 113.70 111.23 1pnf s SER 143 Ca 0.17 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1pnf s SER 143 Cb -0.09 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1pnf s SER 143 CO 0.08 -0.51 0.04 0.00 0.98 0.00 0.00 173.24 173.83 1pnf s ALA 144 N -1.74 -0.09 0.01 5.32 0.00 -0.12 -4.71 121.76 120.42 1pnf s ALA 144 Ca -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1pnf s ALA 144 Cb -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1pnf s ALA 144 CO 0.02 -0.08 -0.03 0.54 0.00 0.00 0.00 175.76 176.21 1pnf s VAL 145 N -0.52 0.20 -0.09 0.00 0.11 -1.26 -0.60 120.40 118.24 1pnf s VAL 145 Ca -0.06 -0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 58.45 1pnf s VAL 145 Cb -0.04 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1pnf s VAL 145 CO -0.00 -0.14 0.32 0.54 -3.33 0.00 0.00 175.10 172.49 1pnf s VAL 146 N -0.56 0.02 0.33 2.04 0.11 -0.91 -4.87 120.40 116.55 1pnf s VAL 146 Ca -0.05 -0.14 -0.27 0.00 -2.93 0.00 0.00 61.98 58.59 1pnf s VAL 146 Cb -0.04 -0.51 -0.09 0.00 -1.53 0.00 0.00 36.38 34.21 1pnf s VAL 146 CO -0.00 -0.08 1.07 -2.16 -3.33 0.00 0.00 175.10 170.59 1pnf s PRO 147 N -0.27 4.43 -0.19 1.54 0.04 -1.26 -1.08 135.00 138.20 1pnf s PRO 147 Ca -0.04 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1pnf s PRO 147 Cb -0.03 -2.89 -0.16 0.00 0.04 0.00 0.00 34.50 31.45 1pnf s PRO 147 CO 0.02 0.07 0.16 0.28 0.04 0.00 0.00 177.00 177.57 1pnf h VAL 148 N 2.68 0.77 -3.48 -0.36 2.07 -0.41 -3.46 116.25 114.06 1pnf h VAL 148 Ca -0.47 -1.96 -0.15 0.00 0.82 0.00 0.00 66.70 64.94 1pnf h VAL 148 Cb 1.21 1.84 -0.21 0.00 -1.52 0.00 0.00 31.29 32.61 1pnf h VAL 148 CO 0.65 0.26 -0.49 0.27 0.02 0.00 0.00 177.57 178.28 1pnf s ILE 149 N -2.32 0.07 -0.24 4.57 -4.36 -0.98 -5.00 121.20 112.94 1pnf s ILE 149 Ca -0.26 -0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1pnf s ILE 149 Cb 0.05 -0.41 0.12 0.00 1.25 0.00 0.00 42.46 43.46 1pnf s ILE 149 CO 0.52 -0.33 0.29 -1.10 0.24 0.00 0.00 174.94 174.55 1pnf s GLN 150 N -1.21 0.28 -0.61 0.37 -0.21 -1.26 -0.94 119.66 116.09 1pnf s GLN 150 Ca -0.13 0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.45 1pnf s GLN 150 Cb -0.07 -0.84 0.20 0.00 1.00 0.00 0.00 33.01 33.30 1pnf s GLN 150 CO 0.01 -0.79 0.53 0.66 -2.12 0.00 0.00 175.29 173.58 1pnf n TYR 151 N 5.33 2.20 -1.66 0.91 4.01 0.65 -4.88 117.16 123.72 1pnf n TYR 151 Ca -0.04 -4.01 0.00 0.00 -0.16 0.00 0.00 57.90 53.69 1pnf n TYR 151 Cb 0.48 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1pnf n TYR 151 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1pnf n ASN 152 N 1.81 0.00 0.11 7.72 0.23 -1.26 -1.45 115.26 122.42 1pnf n ASN 152 Ca 0.24 -1.34 0.17 0.00 -0.53 0.00 0.00 54.58 53.12 1pnf n ASN 152 Cb 0.41 -0.07 0.72 0.00 -2.08 0.00 0.00 39.78 38.75 1pnf n ASN 152 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1pnf h LYS 153 N 0.00 0.00 -2.60 -3.83 3.64 -1.90 -3.45 116.57 108.43 1pnf h LYS 153 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1pnf h LYS 153 Cb 1.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1pnf h LYS 153 CO 0.00 0.00 0.42 -1.54 -2.27 0.00 0.00 179.45 176.06 1pnf s SER 154 N -6.25 -0.14 0.23 4.20 1.04 -1.26 -4.98 113.70 106.54 1pnf s SER 154 Ca -0.05 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 1pnf s SER 154 Cb 0.18 0.59 0.21 0.00 0.10 0.00 0.00 66.02 67.10 1pnf s SER 154 CO 0.67 -1.12 1.76 0.77 0.98 0.00 0.00 173.24 176.30 1pnf h SER 155 N 2.00 1.00 -0.02 7.02 4.64 -1.94 -2.07 113.55 124.18 1pnf h SER 155 Ca -0.25 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1pnf h SER 155 Cb 1.24 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1pnf h SER 155 CO 0.29 0.94 0.00 2.30 -0.87 0.00 0.00 176.83 179.49 1pnf n ILE 156 N -4.25 0.02 -0.20 0.95 -6.64 -1.26 -2.71 119.36 105.27 1pnf n ILE 156 Ca 0.05 -0.11 0.12 0.00 -1.77 0.00 0.00 62.75 61.04 1pnf n ILE 156 Cb 0.24 -0.08 0.29 0.00 -1.44 0.00 0.00 39.64 38.65 1pnf n ILE 156 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1pnf n ASP 157 N -0.48 3.83 -4.03 7.28 8.00 -0.78 -4.94 116.55 125.43 1pnf n ASP 157 Ca 0.20 -2.00 -0.30 0.00 0.71 0.00 0.00 54.79 53.41 1pnf n ASP 157 Cb 0.20 -0.43 0.21 0.00 -0.02 0.00 0.00 41.12 41.08 1pnf n ASP 157 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pnf s GLY 158 N -1.12 1.68 0.11 0.44 0.00 -1.10 -4.14 107.32 103.19 1pnf s GLY 158 Ca 0.46 -1.05 -0.31 0.00 0.00 0.00 0.00 44.72 43.83 1pnf s GLY 158 CO 0.33 -0.24 1.33 0.14 0.00 0.00 0.00 173.10 174.66 1pnf s VAL 159 N -3.46 3.48 0.26 1.40 1.01 -0.12 -4.58 120.40 118.39 1pnf s VAL 159 Ca 0.72 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 1pnf s VAL 159 Cb -0.07 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1pnf s VAL 159 CO 0.54 0.10 1.58 -2.84 0.00 0.00 0.00 175.10 174.48 1pnf s PRO 160 N 0.90 4.15 -0.16 2.72 0.02 -1.26 0.02 135.00 141.39 1pnf s PRO 160 Ca 0.62 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 64.14 1pnf s PRO 160 Cb -0.35 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1pnf s PRO 160 CO 0.31 -0.61 -0.08 -0.47 -0.33 0.00 0.00 177.00 175.82 1pnf s TYR 161 N 0.25 2.91 0.00 6.54 5.04 0.03 -4.63 117.35 127.49 1pnf s TYR 161 Ca 0.65 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1pnf s TYR 161 Cb -0.47 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 39.90 1pnf s TYR 161 CO 0.44 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.83 1pnf n GLY 162 N 3.81 0.83 3.91 8.97 0.00 -1.26 -4.51 105.19 116.94 1pnf n GLY 162 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1pnf n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnf s LYS 163 N -0.91 2.31 0.35 1.61 -0.14 -1.26 -0.94 119.74 120.76 1pnf s LYS 163 Ca 0.00 0.05 0.05 0.00 -1.36 0.00 0.00 55.97 54.72 1pnf s LYS 163 Cb 0.00 -2.07 0.71 0.00 -1.68 0.00 0.00 37.83 34.80 1pnf s LYS 163 CO 0.00 -1.28 1.93 0.00 -0.76 0.00 0.00 175.35 175.24 1pnf h ALA 164 N -0.75 1.69 -3.48 5.17 0.00 -1.96 -3.42 119.26 116.52 1pnf h ALA 164 Ca -0.45 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 1pnf h ALA 164 Cb 1.30 -0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1pnf h ALA 164 CO 0.63 0.17 -0.74 -1.01 0.00 0.00 0.00 179.25 178.30 1pnf s HIS 165 N -5.72 0.50 -0.32 0.00 3.76 -1.26 -5.12 115.29 107.12 1pnf s HIS 165 Ca -0.10 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1pnf s HIS 165 Cb 0.20 -0.31 0.10 0.00 1.11 0.00 0.00 32.58 33.68 1pnf s HIS 165 CO 0.78 -0.06 0.10 0.99 -0.85 0.00 0.00 174.74 175.70 1pnf s THR 166 N -0.80 1.05 0.41 1.30 2.01 -1.26 -5.02 115.64 113.34 1pnf s THR 166 Ca -0.05 -1.55 0.08 0.00 0.31 0.00 0.00 61.69 60.48 1pnf s THR 166 Cb -0.06 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1pnf s THR 166 CO 0.00 -0.68 0.56 -0.76 -0.69 0.00 0.00 174.62 173.05 1pnf s LEU 167 N 1.49 3.68 0.00 4.42 1.02 -1.26 -4.69 118.68 123.33 1pnf s LEU 167 Ca 0.10 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1pnf s LEU 167 Cb -0.18 -2.66 0.00 0.00 0.02 0.00 0.00 46.19 43.37 1pnf s LEU 167 CO -0.22 -0.73 0.00 0.61 0.02 0.00 0.00 176.35 176.02 1pnf n GLY 168 N -1.83 0.73 0.55 -3.19 0.00 -1.26 -4.97 105.19 95.22 1pnf n GLY 168 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1pnf n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pnf n LEU 169 N 0.00 2.64 -4.24 0.99 4.77 -1.26 -4.95 117.00 114.94 1pnf n LEU 169 Ca 0.00 -1.79 -0.32 0.00 -0.03 0.00 0.00 56.01 53.87 1pnf n LEU 169 Cb 0.00 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 1pnf n LEU 169 CO 0.00 0.64 -0.54 -0.75 -1.33 0.00 0.00 177.39 175.40 1pnf s LYS 170 N -0.97 3.09 0.25 3.23 2.47 -1.26 -1.11 119.74 125.44 1pnf s LYS 170 Ca 0.19 -0.85 -0.06 0.00 -1.56 0.00 0.00 55.97 53.69 1pnf s LYS 170 Cb 0.10 -2.35 -0.02 0.00 -1.46 0.00 0.00 37.83 34.11 1pnf s LYS 170 CO 0.14 0.19 0.34 0.15 0.16 0.00 0.00 175.35 176.33 1pnf s LYS 171 N 0.33 1.47 -0.07 4.03 -0.14 -0.64 -4.83 119.74 119.89 1pnf s LYS 171 Ca -0.18 -1.49 0.04 0.00 -1.36 0.00 0.00 55.97 52.98 1pnf s LYS 171 Cb -0.18 0.39 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 1pnf s LYS 171 CO 0.08 -0.57 -0.18 -0.80 -0.76 0.00 0.00 175.35 173.12 1pnf s ASN 172 N -3.11 3.63 -0.05 2.83 0.01 0.66 -0.29 114.94 118.62 1pnf s ASN 172 Ca 0.30 -0.36 0.06 0.00 -0.71 0.00 0.00 52.86 52.15 1pnf s ASN 172 Cb 0.02 -1.05 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 1pnf s ASN 172 CO 0.12 0.26 -0.24 -0.63 -1.51 0.00 0.00 177.10 175.10 1pnf s ILE 173 N -0.21 2.16 -0.28 0.60 1.01 0.45 -0.89 121.20 124.04 1pnf s ILE 173 Ca -0.01 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1pnf s ILE 173 Cb -0.13 -1.78 0.07 0.00 0.01 0.00 0.00 42.46 40.62 1pnf s ILE 173 CO 0.03 0.57 -0.06 -1.58 0.00 0.00 0.00 174.94 173.90 1pnf s GLN 174 N -0.26 2.15 0.05 2.79 0.74 0.52 -0.47 119.66 125.19 1pnf s GLN 174 Ca -0.01 -1.42 -0.21 0.00 0.05 0.00 0.00 55.36 53.77 1pnf s GLN 174 Cb -0.13 -2.99 -0.06 0.00 1.10 0.00 0.00 33.01 30.93 1pnf s GLN 174 CO 0.03 -0.64 0.63 -0.51 -0.55 0.00 0.00 175.29 174.24 1pnf s LEU 175 N 1.09 4.48 0.56 3.68 1.43 -0.92 -1.30 118.68 127.70 1pnf s LEU 175 Ca -0.05 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.12 1pnf s LEU 175 Cb -0.20 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1pnf s LEU 175 CO -0.05 0.16 1.26 -2.65 0.23 0.00 0.00 176.35 175.31 1pnf n PRO 176 N 2.26 1.46 0.27 1.29 -0.02 -1.26 -2.97 135.00 136.03 1pnf n PRO 176 Ca -0.07 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1pnf n PRO 176 Cb 0.51 -2.46 0.77 0.00 -0.02 0.00 0.00 33.50 32.29 1pnf n PRO 176 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1pnf h THR 177 N 1.17 0.66 -0.12 3.45 1.35 -1.93 -2.03 112.91 115.46 1pnf h THR 177 Ca -0.50 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1pnf h THR 177 Cb 1.32 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1pnf h THR 177 CO 0.55 0.07 0.00 -0.46 -0.25 0.00 0.00 175.52 175.44 1pnf n ASN 178 N -3.88 1.21 -4.70 5.36 0.23 -1.26 -4.62 115.26 107.60 1pnf n ASN 178 Ca -0.02 -1.62 -0.42 0.00 -0.53 0.00 0.00 54.58 51.99 1pnf n ASN 178 Cb 0.17 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 37.76 1pnf n ASN 178 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1pnf s THR 179 N -1.85 2.42 -0.04 5.53 2.01 -0.76 -4.68 115.64 118.26 1pnf s THR 179 Ca 0.31 0.09 0.14 0.00 0.31 0.00 0.00 61.69 62.55 1pnf s THR 179 Cb 0.16 -3.06 -0.22 0.00 0.01 0.00 0.00 72.50 69.40 1pnf s THR 179 CO 0.25 0.00 0.27 -0.62 -0.69 0.00 0.00 174.62 173.84 1pnf n GLU 180 N 5.08 0.70 -3.71 4.92 1.02 0.16 -4.93 120.64 123.88 1pnf n GLU 180 Ca 0.17 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1pnf n GLU 180 Cb 0.37 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1pnf n GLU 180 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pnf s LYS 181 N -2.90 0.52 0.01 3.49 2.20 -0.60 -5.00 119.74 117.45 1pnf s LYS 181 Ca -0.06 0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 56.22 1pnf s LYS 181 Cb 0.08 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1pnf s LYS 181 CO 0.61 -0.09 0.07 0.00 -0.36 0.00 0.00 175.35 175.57 1pnf s ALA 182 N 0.60 -0.15 0.15 3.13 0.00 -1.26 -0.26 121.76 123.97 1pnf s ALA 182 Ca -0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1pnf s ALA 182 Cb -0.05 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1pnf s ALA 182 CO -0.04 -0.18 0.80 1.52 0.00 0.00 0.00 175.76 177.86 1pnf s TYR 183 N -1.35 -0.29 0.01 0.00 1.13 -0.65 -1.34 117.35 114.85 1pnf s TYR 183 Ca -0.15 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.53 1pnf s TYR 183 Cb -0.08 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 1pnf s TYR 183 CO 0.00 -0.87 0.06 -0.51 -2.51 0.00 0.00 175.55 171.72 1pnf s LEU 184 N -2.79 3.77 -0.20 -3.49 1.43 0.26 -0.65 118.68 117.03 1pnf s LEU 184 Ca 0.08 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1pnf s LEU 184 Cb -0.02 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1pnf s LEU 184 CO -0.03 0.26 -0.14 -0.60 0.23 0.00 0.00 176.35 176.07 1pnf s ARG 185 N -1.78 2.38 -0.02 1.70 3.52 -0.25 -1.33 118.95 123.18 1pnf s ARG 185 Ca 0.23 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1pnf s ARG 185 Cb -0.12 -2.49 -0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1pnf s ARG 185 CO 0.14 -0.36 -0.18 0.99 -0.81 0.00 0.00 175.30 175.08 1pnf s THR 186 N 1.33 1.45 -0.15 4.11 2.01 0.36 -0.07 115.64 124.68 1pnf s THR 186 Ca 0.00 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 1pnf s THR 186 Cb -0.15 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.19 1pnf s THR 186 CO -0.09 0.41 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.35 1pnf s THR 187 N -0.34 0.72 -0.02 -0.82 2.01 -0.26 0.02 115.64 116.96 1pnf s THR 187 Ca 0.05 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1pnf s THR 187 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1pnf s THR 187 CO -0.00 0.05 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.40 1pnf s ILE 188 N 1.80 0.58 -0.03 1.82 2.07 -1.26 -1.82 121.20 124.37 1pnf s ILE 188 Ca 0.01 -0.25 -0.05 0.00 -1.41 0.00 0.00 60.65 58.95 1pnf s ILE 188 Cb -0.15 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1pnf s ILE 188 CO -0.07 0.19 0.11 -0.94 -1.91 0.00 0.00 174.94 172.32 1pnf s SER 189 N 0.22 -0.05 -0.01 4.50 1.04 -0.54 -4.88 113.70 113.98 1pnf s SER 189 Ca -0.03 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 1pnf s SER 189 Cb -0.07 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1pnf s SER 189 CO 0.00 -0.16 0.07 -0.83 0.98 0.00 0.00 173.24 173.30 1pnf s GLY 190 N -0.49 1.99 0.08 7.32 0.00 -1.26 -0.88 107.32 114.09 1pnf s GLY 190 Ca -0.06 -0.88 0.10 0.00 0.00 0.00 0.00 44.72 43.89 1pnf s GLY 190 CO 0.00 -0.75 -0.27 0.86 0.00 0.00 0.00 173.10 172.95 1pnf s TRP 191 N -1.17 2.31 0.00 1.90 -0.00 0.03 -3.63 118.94 118.38 1pnf s TRP 191 Ca 0.22 -0.40 0.00 0.00 -0.00 0.00 0.00 56.10 55.92 1pnf s TRP 191 Cb -0.12 -1.33 0.00 0.00 -0.00 0.00 0.00 33.47 32.02 1pnf s TRP 191 CO 0.13 0.21 0.00 0.41 -0.00 0.00 0.00 176.95 177.70 1pnf n GLY 192 N 1.44 2.33 2.60 5.86 0.00 -1.26 -0.85 105.19 115.30 1pnf n GLY 192 Ca -0.17 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 1pnf n GLY 192 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pnf n HIS 193 N 1.29 1.75 -1.69 1.61 1.44 -0.93 -1.32 115.22 117.36 1pnf n HIS 193 Ca 0.00 -2.44 -0.36 0.00 -2.01 0.00 0.00 57.72 52.91 1pnf n HIS 193 Cb 0.00 -0.27 0.07 0.00 0.12 0.00 0.00 29.99 29.91 1pnf n HIS 193 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pnf s ALA 194 N -3.56 2.33 0.22 1.59 0.00 0.67 -4.48 121.76 118.54 1pnf s ALA 194 Ca 0.34 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1pnf s ALA 194 Cb 0.38 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1pnf s ALA 194 CO -0.02 -1.64 0.35 0.15 0.00 0.00 0.00 175.76 174.61 1pnf s LYS 195 N -3.48 3.44 0.27 0.00 1.02 -1.26 -1.84 119.74 117.89 1pnf s LYS 195 Ca 0.81 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 1pnf s LYS 195 Cb -0.35 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 33.97 1pnf s LYS 195 CO 0.40 0.43 1.31 -1.25 -0.92 0.00 0.00 175.35 175.32 1pnf s PRO 196 N -3.82 4.38 0.67 -1.68 0.04 -1.26 -0.60 135.00 132.74 1pnf s PRO 196 Ca 0.35 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 1pnf s PRO 196 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1pnf s PRO 196 CO 0.29 -0.20 1.15 0.71 0.04 0.00 0.00 177.00 178.99 1pnf s TYR 197 N -0.54 2.43 0.83 0.56 2.02 -1.26 -4.76 117.35 116.63 1pnf s TYR 197 Ca 0.53 1.56 -0.10 0.00 -0.37 0.00 0.00 57.07 58.69 1pnf s TYR 197 Cb -0.38 -3.30 0.14 0.00 -0.40 0.00 0.00 41.96 38.02 1pnf s TYR 197 CO 0.45 -2.00 1.16 -0.51 -1.57 0.00 0.00 175.55 173.08 1pnf s ASP 198 N -2.26 3.92 0.67 2.29 1.11 0.45 -4.84 116.67 118.01 1pnf s ASP 198 Ca 0.71 0.19 -0.17 0.00 0.18 0.00 0.00 52.55 53.46 1pnf s ASP 198 Cb -0.24 -0.49 -0.02 0.00 1.07 0.00 0.00 42.92 43.24 1pnf s ASP 198 CO 0.41 -2.19 0.95 0.00 1.18 0.00 0.00 175.17 175.51 1pnf n ALA 199 N -3.31 -0.09 -0.98 5.23 0.00 -1.26 -2.38 120.51 117.72 1pnf n ALA 199 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pnf n ALA 199 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1pnf n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnf n GLY 200 N 1.22 0.46 3.68 0.00 0.00 -1.26 -3.76 105.19 105.52 1pnf n GLY 200 Ca 0.13 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1pnf n GLY 200 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pnf n SER 201 N 0.78 -4.87 -4.39 1.61 7.64 -1.00 -4.97 113.62 108.42 1pnf n SER 201 Ca 0.00 -0.65 -0.44 0.00 1.01 0.00 0.00 58.87 58.79 1pnf n SER 201 Cb 0.00 -4.63 -0.08 0.00 -1.01 0.00 0.00 64.21 58.49 1pnf n SER 201 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pnf s ARG 202 N -6.25 2.96 0.64 1.43 0.52 -1.15 -4.87 118.95 112.24 1pnf s ARG 202 Ca 0.48 -1.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 1pnf s ARG 202 Cb -0.22 -4.09 0.03 0.00 0.52 0.00 0.00 34.95 31.19 1pnf s ARG 202 CO 0.77 -0.99 0.96 0.20 0.02 0.00 0.00 175.30 176.26 1pnf s GLY 203 N 2.45 1.64 0.09 -3.53 0.00 -1.26 -0.41 107.32 106.30 1pnf s GLY 203 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1pnf s GLY 203 CO 0.07 -0.44 0.18 0.00 0.00 0.00 0.00 173.10 172.91 1pnf n ALA 205 N 0.18 2.29 -0.04 0.00 0.00 -0.03 -0.24 120.51 122.67 1pnf n ALA 205 Ca -0.07 -1.17 -0.16 0.00 0.00 0.00 0.00 53.44 52.05 1pnf n ALA 205 Cb 0.52 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 1pnf n ALA 205 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pnf h GLU 206 N 3.13 0.67 0.00 0.00 4.81 -1.27 -3.38 114.58 118.55 1pnf h GLU 206 Ca 0.00 -0.49 -0.27 0.00 -0.13 0.00 0.00 59.36 58.47 1pnf h GLU 206 Cb 0.84 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 1pnf h GLU 206 CO 0.00 1.11 -2.18 0.91 -0.73 0.00 0.00 179.01 178.12 1pnf n TRP 207 N -4.14 0.00 -2.38 0.92 7.02 -0.79 -1.01 117.44 117.07 1pnf n TRP 207 Ca -0.07 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.99 1pnf n TRP 207 Cb 0.62 -0.81 -0.02 0.00 -2.42 0.00 0.00 31.31 28.68 1pnf n TRP 207 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1pnf s PHE 209 N 3.86 3.17 0.03 0.00 0.08 -1.26 -4.76 117.98 119.10 1pnf s PHE 209 Ca 0.57 0.91 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 1pnf s PHE 209 Cb -0.21 -3.70 -0.02 0.00 -0.57 0.00 0.00 43.02 38.52 1pnf s PHE 209 CO 0.18 -2.47 0.05 1.03 -0.10 0.00 0.00 175.22 173.91 1pnf s ARG 210 N 1.28 0.50 -0.18 0.44 1.81 -1.13 -5.03 118.95 116.64 1pnf s ARG 210 Ca 0.65 -0.72 0.01 0.00 -1.72 0.00 0.00 55.73 53.95 1pnf s ARG 210 Cb -0.37 0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.35 1pnf s ARG 210 CO 0.30 -0.11 -0.16 0.99 -0.68 0.00 0.00 175.30 175.63 1pnf s THR 211 N -2.27 1.92 0.45 0.02 2.01 -1.26 0.09 115.64 116.59 1pnf s THR 211 Ca -0.08 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1pnf s THR 211 Cb -0.03 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1pnf s THR 211 CO -0.03 0.41 0.61 -1.00 -0.69 0.00 0.00 174.62 173.92 1pnf s HIS 212 N 1.32 2.83 0.02 4.92 0.09 0.31 -3.96 115.29 120.83 1pnf s HIS 212 Ca 0.03 -0.31 0.03 0.00 -0.00 0.00 0.00 55.06 54.81 1pnf s HIS 212 Cb -0.14 -2.45 -0.02 0.00 -0.00 0.00 0.00 32.58 29.97 1pnf s HIS 212 CO -0.11 -0.50 -0.10 0.99 -0.00 0.00 0.00 174.74 175.01 1pnf s THR 213 N -2.43 0.80 -0.18 1.30 2.01 -0.03 -0.16 115.64 116.93 1pnf s THR 213 Ca 0.55 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 1pnf s THR 213 Cb -0.10 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1pnf s THR 213 CO 0.34 -0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.50 1pnf s ILE 214 N -0.74 2.95 -0.15 1.82 1.01 -0.33 -0.21 121.20 125.55 1pnf s ILE 214 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1pnf s ILE 214 Cb -0.07 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1pnf s ILE 214 CO 0.01 0.48 0.01 0.00 0.00 0.00 0.00 174.94 175.44 1pnf s ALA 215 N 1.10 3.24 -0.20 9.38 0.00 -0.55 -0.29 121.76 134.44 1pnf s ALA 215 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1pnf s ALA 215 Cb -0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1pnf s ALA 215 CO -0.03 0.30 -0.05 0.42 0.00 0.00 0.00 175.76 176.40 1pnf s ILE 216 N 0.04 3.40 -1.51 0.00 -1.09 0.59 -2.00 121.20 120.63 1pnf s ILE 216 Ca 0.03 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 57.84 1pnf s ILE 216 Cb -0.13 -2.52 0.08 0.00 -1.58 0.00 0.00 42.46 38.31 1pnf s ILE 216 CO 0.02 0.45 0.89 0.59 -1.23 0.00 0.00 174.94 175.66 1pnf n ASN 217 N 4.43 -3.86 0.00 3.58 3.02 -0.28 -1.18 115.26 120.97 1pnf n ASN 217 Ca -0.18 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1pnf n ASN 217 Cb 0.51 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1pnf n ASN 217 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pnf n ASN 218 N -2.86 0.00 -4.69 6.41 3.02 -1.26 -4.99 115.26 110.89 1pnf n ASN 218 Ca -0.03 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1pnf n ASN 218 Cb 0.55 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1pnf n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pnf s ALA 219 N -2.42 3.49 -0.22 5.41 0.00 -0.32 -4.97 121.76 122.73 1pnf s ALA 219 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1pnf s ALA 219 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1pnf s ALA 219 CO 0.00 -0.25 1.99 -0.80 0.00 0.00 0.00 175.76 176.70 1pnf s ASN 220 N 0.92 5.81 -0.14 0.00 0.01 -1.26 -0.30 114.94 119.98 1pnf s ASN 220 Ca 0.27 1.77 0.03 0.00 -0.71 0.00 0.00 52.86 54.22 1pnf s ASN 220 Cb -0.16 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 38.88 1pnf s ASN 220 CO 0.11 -1.70 -0.09 0.41 -1.51 0.00 0.00 177.10 174.32 1pnf n THR 221 N 7.25 0.83 -4.29 1.60 -1.04 0.60 -4.93 114.28 114.30 1pnf n THR 221 Ca 0.25 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.05 61.72 1pnf n THR 221 Cb 0.45 -0.94 -0.11 0.00 -1.82 0.00 0.00 70.33 67.91 1pnf n THR 221 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1pnf s PHE 222 N -2.29 1.53 -0.03 -1.42 0.08 -0.69 -4.99 117.98 110.17 1pnf s PHE 222 Ca -0.16 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.33 1pnf s PHE 222 Cb 0.05 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1pnf s PHE 222 CO 0.37 0.23 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.96 1pnf s GLN 223 N -3.17 1.09 -0.38 0.44 -0.21 -1.26 -1.18 119.66 114.98 1pnf s GLN 223 Ca 0.15 -0.36 -0.00 0.00 0.02 0.00 0.00 55.36 55.17 1pnf s GLN 223 Cb -0.02 -1.01 0.11 0.00 1.00 0.00 0.00 33.01 33.09 1pnf s GLN 223 CO 0.04 0.14 0.15 -1.01 -2.12 0.00 0.00 175.29 172.49 1pnf s HIS 224 N 0.14 3.66 -0.26 0.91 3.76 0.77 -4.94 115.29 119.33 1pnf s HIS 224 Ca -0.03 -2.67 -0.28 0.00 -0.15 0.00 0.00 55.06 51.93 1pnf s HIS 224 Cb -0.09 -3.10 0.01 0.00 1.11 0.00 0.00 32.58 30.51 1pnf s HIS 224 CO 0.01 -0.96 0.99 -1.14 -0.85 0.00 0.00 174.74 172.79 1pnf s GLN 225 N 1.01 4.17 -0.85 1.40 0.74 -1.26 -0.53 119.66 124.35 1pnf s GLN 225 Ca 0.10 1.16 -0.13 0.00 0.05 0.00 0.00 55.36 56.54 1pnf s GLN 225 Cb -0.21 -3.67 0.22 0.00 1.10 0.00 0.00 33.01 30.45 1pnf s GLN 225 CO -0.06 -0.68 0.79 -0.51 -0.55 0.00 0.00 175.29 174.28 1pnf s LEU 226 N 3.24 6.63 0.00 3.68 1.43 0.11 -4.86 118.68 128.91 1pnf s LEU 226 Ca 0.42 -2.81 0.00 0.00 -1.03 0.00 0.00 54.13 50.71 1pnf s LEU 226 Cb -0.14 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1pnf s LEU 226 CO 0.09 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1pnf n GLY 227 N 3.79 7.09 3.65 -3.19 0.00 -1.26 -2.83 105.19 112.43 1pnf n GLY 227 Ca 0.15 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1pnf n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnf s ALA 228 N -2.01 3.59 -1.05 4.61 0.00 -1.26 -0.72 121.76 124.93 1pnf s ALA 228 Ca 0.00 0.20 0.26 0.00 0.00 0.00 0.00 51.96 52.42 1pnf s ALA 228 Cb 0.00 -3.63 0.71 0.00 0.00 0.00 0.00 23.12 20.20 1pnf s ALA 228 CO 0.00 -1.28 1.55 1.28 0.00 0.00 0.00 175.76 177.31 1pnf n LEU 229 N 6.71 0.40 -1.30 0.00 4.77 -1.26 -4.96 117.00 121.36 1pnf n LEU 229 Ca 0.13 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1pnf n LEU 229 Cb 0.46 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1pnf n LEU 229 CO 0.56 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1pnf n GLY 230 N 1.49 0.81 0.27 -0.72 0.00 -1.26 -4.97 105.19 100.81 1pnf n GLY 230 Ca 0.06 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1pnf n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnf h SER 232 N 0.00 0.00 -0.23 0.00 4.64 -1.74 -2.30 113.55 113.93 1pnf h SER 232 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pnf h SER 232 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1pnf h SER 232 CO 0.01 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 1pnf n ALA 233 N -2.38 2.49 -1.69 5.18 0.00 -0.73 -4.94 120.51 118.46 1pnf n ALA 233 Ca -0.02 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.45 1pnf n ALA 233 Cb 0.26 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1pnf n ALA 233 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pnf n ASN 234 N 0.34 3.70 0.26 0.00 4.05 -0.86 -4.87 115.26 117.88 1pnf n ASN 234 Ca 0.14 1.02 0.10 0.00 0.45 0.00 0.00 54.58 56.29 1pnf n ASN 234 Cb 0.30 -1.50 0.67 0.00 1.23 0.00 0.00 39.78 40.49 1pnf n ASN 234 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pnf h PRO 235 N 7.61 0.00 -5.01 1.20 0.13 -1.92 -3.13 132.00 130.88 1pnf h PRO 235 Ca -0.46 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.96 1pnf h PRO 235 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1pnf h PRO 235 CO 0.93 0.08 1.95 -0.89 -0.23 0.00 0.00 178.00 179.84 1pnf n ILE 236 N -4.14 4.06 -0.73 -3.56 5.41 -1.26 -4.73 119.36 114.42 1pnf n ILE 236 Ca -0.03 -4.28 0.08 0.00 1.00 0.00 0.00 62.75 59.53 1pnf n ILE 236 Cb 0.17 -2.42 0.38 0.00 -0.71 0.00 0.00 39.64 37.06 1pnf n ILE 236 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1pnf n ASN 237 N 6.64 5.23 -1.87 4.38 2.04 -1.18 -4.42 115.26 126.08 1pnf n ASN 237 Ca 0.44 -2.68 -0.19 0.00 -0.44 0.00 0.00 54.58 51.71 1pnf n ASN 237 Cb 0.43 -0.63 0.16 0.00 -2.53 0.00 0.00 39.78 37.20 1pnf n ASN 237 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1pnf n ASN 238 N 0.89 4.07 0.04 0.53 6.94 -1.26 -4.67 115.26 121.80 1pnf n ASN 238 Ca 0.27 -3.72 0.12 0.00 -0.02 0.00 0.00 54.58 51.23 1pnf n ASN 238 Cb 1.04 -0.76 0.26 0.00 -2.36 0.00 0.00 39.78 37.96 1pnf n ASN 238 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pnf n GLN 239 N -1.07 0.18 -1.51 -3.83 6.02 -1.26 -4.74 117.38 111.16 1pnf n GLN 239 Ca 0.50 0.07 -0.35 0.00 -0.01 0.00 0.00 57.00 57.21 1pnf n GLN 239 Cb 1.23 -1.63 0.09 0.00 1.02 0.00 0.00 30.24 30.95 1pnf n GLN 239 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pnf s SER 240 N -3.79 4.31 0.00 1.08 0.01 -1.26 -1.46 113.70 112.59 1pnf s SER 240 Ca 0.09 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1pnf s SER 240 Cb 0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1pnf s SER 240 CO 0.68 -2.19 0.60 -0.81 0.41 0.00 0.00 173.24 171.93 1pnf n PRO 241 N -2.52 0.72 -2.37 12.44 -0.04 -1.26 -5.01 135.00 136.96 1pnf n PRO 241 Ca 0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 1pnf n PRO 241 Cb 0.50 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1pnf n PRO 241 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1pnf s GLY 242 N -0.94 2.16 -1.29 0.55 0.00 -0.53 -4.92 107.32 102.35 1pnf s GLY 242 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 1pnf s GLY 242 CO 0.00 0.59 2.25 -2.01 0.00 0.00 0.00 173.10 173.93 1pnf n ASN 243 N -1.52 4.31 0.03 1.64 4.05 -1.26 -4.68 115.26 117.82 1pnf n ASN 243 Ca 0.07 -2.73 -0.06 0.00 0.45 0.00 0.00 54.58 52.31 1pnf n ASN 243 Cb 0.54 -1.48 -0.11 0.00 1.23 0.00 0.00 39.78 39.95 1pnf n ASN 243 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 177.26 178.32 1pnf h TRP 244 N 6.32 0.00 0.03 1.20 5.08 -1.91 -3.40 115.95 123.26 1pnf h TRP 244 Ca 0.57 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 60.32 1pnf h TRP 244 Cb 0.57 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1pnf h TRP 244 CO 1.50 0.90 -0.98 0.00 -1.28 0.00 0.00 178.44 178.58 1pnf h ALA 245 N 1.10 0.37 -2.68 0.11 0.00 -1.83 -3.42 119.26 112.91 1pnf h ALA 245 Ca -0.15 -0.76 -0.51 0.00 0.00 0.00 0.00 54.91 53.48 1pnf h ALA 245 Cb 1.82 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 19.65 1pnf h ALA 245 CO 0.09 0.91 0.46 -1.25 0.00 0.00 0.00 179.25 179.45 1pnf s PRO 246 N -3.08 3.32 -0.03 0.00 0.04 -1.26 -2.36 135.00 131.63 1pnf s PRO 246 Ca -0.04 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1pnf s PRO 246 Cb 0.09 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1pnf s PRO 246 CO 0.85 -0.90 1.11 -0.51 0.04 0.00 0.00 177.00 177.60 1pnf s ASP 247 N -1.64 7.16 0.61 6.66 1.01 -1.26 -4.76 116.67 124.46 1pnf s ASP 247 Ca 0.72 1.77 -0.00 0.00 0.71 0.00 0.00 52.55 55.75 1pnf s ASP 247 Cb -0.27 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.16 1pnf s ASP 247 CO 0.30 -0.47 0.86 -0.13 0.21 0.00 0.00 175.17 175.95 1pnf s ARG 248 N 1.68 2.31 -0.85 8.23 3.00 -1.21 -4.95 118.95 127.17 1pnf s ARG 248 Ca 0.54 -0.76 -0.24 0.00 0.00 0.00 0.00 55.73 55.27 1pnf s ARG 248 Cb -0.24 -2.40 0.05 0.00 0.00 0.00 0.00 34.95 32.36 1pnf s ARG 248 CO 0.24 -0.95 1.30 0.00 0.00 0.00 0.00 175.30 175.89 1pnf s ALA 249 N -2.92 2.81 0.00 2.13 0.00 -0.18 -3.94 121.76 119.66 1pnf s ALA 249 Ca 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1pnf s ALA 249 Cb -0.09 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1pnf s ALA 249 CO 0.41 -3.34 0.00 0.41 0.00 0.00 0.00 175.76 173.23 1pnf n GLY 250 N 5.95 0.51 3.71 0.00 0.00 0.10 -4.54 105.19 110.93 1pnf n GLY 250 Ca 0.15 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1pnf n GLY 250 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1pnf s TRP 251 N -2.00 -0.23 0.01 1.61 1.48 -1.25 -4.50 118.94 114.06 1pnf s TRP 251 Ca 0.00 -0.08 -0.06 0.00 -1.06 0.00 0.00 56.10 54.90 1pnf s TRP 251 Cb 0.00 0.63 -0.00 0.00 -1.16 0.00 0.00 33.47 32.94 1pnf s TRP 251 CO 0.00 -0.90 0.10 0.00 -4.06 0.00 0.00 176.95 172.09 1pnf s PRO 253 N -1.41 4.35 -0.47 0.00 0.02 -1.26 -3.02 135.00 133.21 1pnf s PRO 253 Ca -0.15 2.16 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 1pnf s PRO 253 Cb -0.08 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1pnf s PRO 253 CO 0.01 -0.29 0.34 0.41 -0.33 0.00 0.00 177.00 177.14 1pnf n GLY 254 N 1.98 0.41 3.46 0.52 0.00 0.83 -4.72 105.19 107.66 1pnf n GLY 254 Ca 0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1pnf n GLY 254 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pnf s MET 255 N -5.29 0.95 0.44 1.61 0.00 -1.03 -4.81 119.30 111.16 1pnf s MET 255 Ca 0.17 0.20 -0.24 0.00 0.00 0.00 0.00 55.69 55.82 1pnf s MET 255 Cb -0.07 0.44 -0.08 0.00 0.00 0.00 0.00 34.83 35.12 1pnf s MET 255 CO 0.21 -0.28 1.18 0.00 0.00 0.00 0.00 175.02 176.13 1pnf s ALA 256 N -1.11 3.05 0.00 4.11 0.00 -1.26 -1.75 121.76 124.80 1pnf s ALA 256 Ca -0.11 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1pnf s ALA 256 Cb -0.02 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1pnf s ALA 256 CO 0.08 -0.63 1.06 0.08 0.00 0.00 0.00 175.76 176.35 1pnf s VAL 257 N -1.48 4.59 0.41 0.00 1.01 0.66 -4.81 120.40 120.78 1pnf s VAL 257 Ca 0.61 1.86 -0.25 0.00 0.00 0.00 0.00 61.98 64.20 1pnf s VAL 257 Cb -0.30 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.78 1pnf s VAL 257 CO 0.37 0.12 1.20 -0.81 0.00 0.00 0.00 175.10 175.98 1pnf n PRO 258 N 4.12 1.78 -3.51 2.72 -0.04 -1.26 -4.69 135.00 134.12 1pnf n PRO 258 Ca 0.07 0.63 -0.38 0.00 -0.04 0.00 0.00 63.50 63.78 1pnf n PRO 258 Cb 0.49 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1pnf n PRO 258 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1pnf s THR 259 N -1.20 5.25 -0.27 0.52 2.01 -1.26 -4.48 115.64 116.21 1pnf s THR 259 Ca 0.61 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.86 1pnf s THR 259 Cb -0.53 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1pnf s THR 259 CO 0.58 0.22 0.16 -0.13 -0.69 0.00 0.00 174.62 174.75 1pnf s ARG 260 N 1.84 3.88 -0.24 4.92 0.52 0.10 -4.92 118.95 125.06 1pnf s ARG 260 Ca 0.11 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 54.89 1pnf s ARG 260 Cb -0.16 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1pnf s ARG 260 CO 0.10 -0.17 0.04 0.42 0.02 0.00 0.00 175.30 175.72 1pnf s ILE 261 N 1.69 4.12 -0.23 1.52 -1.09 -1.26 -0.48 121.20 125.46 1pnf s ILE 261 Ca 0.07 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1pnf s ILE 261 Cb -0.16 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1pnf s ILE 261 CO 0.09 0.36 -0.11 -1.81 -1.23 0.00 0.00 174.94 172.24 1pnf s ASP 262 N 1.53 4.00 -0.17 3.58 1.01 -0.44 -4.96 116.67 121.22 1pnf s ASP 262 Ca 0.06 -1.18 -0.29 0.00 0.71 0.00 0.00 52.55 51.85 1pnf s ASP 262 Cb -0.15 -1.42 -0.01 0.00 1.01 0.00 0.00 42.92 42.35 1pnf s ASP 262 CO 0.02 -0.17 1.13 -0.69 0.21 0.00 0.00 175.17 175.68 1pnf s VAL 263 N 1.23 4.50 0.52 -1.27 1.01 -1.26 -0.57 120.40 124.55 1pnf s VAL 263 Ca -0.05 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 1pnf s VAL 263 Cb -0.18 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1pnf s VAL 263 CO -0.07 -0.12 1.00 -0.76 0.00 0.00 0.00 175.10 175.15 1pnf s LEU 264 N 3.04 3.63 0.20 3.92 1.43 -0.45 -4.97 118.68 125.48 1pnf s LEU 264 Ca 0.50 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 1pnf s LEU 264 Cb -0.19 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.43 1pnf s LEU 264 CO 0.12 -0.68 1.17 0.21 0.23 0.00 0.00 176.35 177.40 1pnf s ASN 265 N -2.92 7.14 0.50 2.29 3.84 -1.26 -4.65 114.94 119.89 1pnf s ASN 265 Ca 0.60 2.21 0.34 0.00 0.21 0.00 0.00 52.86 56.22 1pnf s ASN 265 Cb -0.11 -2.61 1.81 0.00 -0.55 0.00 0.00 41.25 39.79 1pnf s ASN 265 CO 0.31 -0.32 2.03 0.78 -2.79 0.00 0.00 177.10 177.11 1pnf h ASN 266 N 5.03 0.00 0.68 -4.21 4.21 -1.95 0.13 115.58 119.47 1pnf h ASN 266 Ca -0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1pnf h ASN 266 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1pnf h ASN 266 CO 0.73 0.00 0.00 0.77 -1.29 0.00 0.00 177.43 177.64 1pnf h SER 267 N 0.00 0.00 1.21 5.81 4.64 -2.02 -2.61 113.55 120.58 1pnf h SER 267 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1pnf h SER 267 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1pnf h SER 267 CO 0.00 0.00 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.60 1pnf h LEU 268 N 0.00 0.00 -9.82 5.97 4.07 -1.35 -3.46 115.31 110.72 1pnf h LEU 268 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1pnf h LEU 268 Cb 0.34 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.20 1pnf h LEU 268 CO 0.00 0.29 0.54 0.41 -1.08 0.00 0.00 178.44 178.60 1pnf n THR 269 N -3.31 2.28 -1.50 0.22 -1.04 -0.99 -1.69 114.28 108.26 1pnf n THR 269 Ca 0.01 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 1pnf n THR 269 Cb 0.54 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1pnf n THR 269 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pnf n GLY 270 N 0.74 1.11 3.18 3.41 0.00 -1.16 -4.97 105.19 107.51 1pnf n GLY 270 Ca 0.05 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1pnf n GLY 270 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pnf s SER 271 N -2.80 1.46 -0.25 1.61 0.01 -0.68 -4.93 113.70 108.12 1pnf s SER 271 Ca 0.00 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 1pnf s SER 271 Cb 0.00 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1pnf s SER 271 CO 0.00 -0.28 0.09 -0.89 0.41 0.00 0.00 173.24 172.57 1pnf s THR 272 N -2.60 4.58 0.20 1.44 2.01 -1.26 -2.17 115.64 117.84 1pnf s THR 272 Ca 0.07 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1pnf s THR 272 Cb -0.02 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1pnf s THR 272 CO -0.00 0.34 -0.15 0.72 -0.69 0.00 0.00 174.62 174.84 1pnf s PHE 273 N 1.48 1.71 0.17 4.92 -0.12 0.38 -4.91 117.98 121.61 1pnf s PHE 273 Ca 0.06 -0.56 -0.21 0.00 -0.05 0.00 0.00 56.93 56.17 1pnf s PHE 273 Cb -0.15 -0.80 -0.08 0.00 -0.63 0.00 0.00 43.02 41.36 1pnf s PHE 273 CO 0.05 0.35 0.69 -1.54 -0.05 0.00 0.00 175.22 174.72 1pnf s SER 274 N -3.22 7.14 -0.04 1.98 1.04 -1.26 -0.41 113.70 118.92 1pnf s SER 274 Ca 0.21 1.42 0.06 0.00 0.48 0.00 0.00 55.95 58.13 1pnf s SER 274 Cb -0.01 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 1pnf s SER 274 CO 0.07 0.14 -0.22 -0.47 0.98 0.00 0.00 173.24 173.74 1pnf s TYR 275 N -1.32 2.09 -0.13 5.02 6.14 0.61 -1.13 117.35 128.62 1pnf s TYR 275 Ca 0.37 -0.52 -0.05 0.00 0.64 0.00 0.00 57.07 57.51 1pnf s TYR 275 Cb -0.19 -1.37 0.06 0.00 0.42 0.00 0.00 41.96 40.89 1pnf s TYR 275 CO 0.22 -0.12 0.27 -2.00 0.64 0.00 0.00 175.55 174.55 1pnf s GLU 276 N -0.28 0.16 -0.20 4.97 2.12 -0.85 -1.61 118.70 123.01 1pnf s GLU 276 Ca 0.02 0.74 -0.17 0.00 0.36 0.00 0.00 54.97 55.93 1pnf s GLU 276 Cb -0.11 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 1pnf s GLU 276 CO 0.01 -0.27 0.43 -0.47 -0.54 0.00 0.00 175.26 174.42 1pnf s TYR 277 N 2.30 3.38 -0.16 5.30 6.14 -0.27 -1.48 117.35 132.56 1pnf s TYR 277 Ca -0.00 0.66 0.01 0.00 0.64 0.00 0.00 57.07 58.38 1pnf s TYR 277 Cb -0.12 -2.56 0.02 0.00 0.42 0.00 0.00 41.96 39.72 1pnf s TYR 277 CO -0.09 -0.03 -0.18 0.15 0.64 0.00 0.00 175.55 176.04 1pnf s LYS 278 N 1.37 2.74 0.45 4.97 1.02 0.70 -4.80 119.74 126.20 1pnf s LYS 278 Ca 0.20 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.25 1pnf s LYS 278 Cb -0.15 -2.36 -0.10 0.00 -0.52 0.00 0.00 37.83 34.70 1pnf s LYS 278 CO 0.08 -0.17 1.00 -0.06 -0.92 0.00 0.00 175.35 175.28 1pnf s PHE 279 N 1.23 3.18 0.19 3.18 0.08 -1.26 -0.85 117.98 123.72 1pnf s PHE 279 Ca 0.02 1.60 -0.31 0.00 0.12 0.00 0.00 56.93 58.36 1pnf s PHE 279 Cb -0.14 -2.97 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1pnf s PHE 279 CO -0.09 -0.46 1.51 -1.14 -0.10 0.00 0.00 175.22 174.93 1pnf s GLN 280 N -3.11 4.24 0.07 0.44 0.74 -1.25 -4.85 119.66 115.94 1pnf s GLN 280 Ca 0.64 2.31 -0.36 0.00 0.05 0.00 0.00 55.36 58.00 1pnf s GLN 280 Cb -0.14 -3.15 -0.16 0.00 1.10 0.00 0.00 33.01 30.67 1pnf s GLN 280 CO 0.18 -0.52 1.41 0.45 -0.55 0.00 0.00 175.29 176.25 1pnf n SER 281 N 3.36 1.94 -3.54 6.67 2.88 -1.26 -4.99 113.62 118.68 1pnf n SER 281 Ca 0.11 1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 58.60 1pnf n SER 281 Cb 0.39 -1.23 -0.06 0.00 -0.75 0.00 0.00 64.21 62.57 1pnf n SER 281 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1pnf s TRP 282 N 0.79 -0.58 -0.13 0.66 -0.00 -1.26 -5.13 118.94 113.29 1pnf s TRP 282 Ca 0.85 1.01 -0.00 0.00 -0.00 0.00 0.00 56.10 57.96 1pnf s TRP 282 Cb -0.92 0.42 0.02 0.00 -0.00 0.00 0.00 33.47 33.00 1pnf s TRP 282 CO 0.47 -0.53 -0.10 0.99 -0.00 0.00 0.00 176.95 177.77 1pnf s THR 283 N -1.13 1.27 -0.08 5.86 2.01 -1.26 -3.98 115.64 118.32 1pnf s THR 283 Ca -0.08 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1pnf s THR 283 Cb -0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1pnf s THR 283 CO 0.08 0.41 1.18 0.21 -0.69 0.00 0.00 174.62 175.80 1pnf s ASN 284 N 1.61 7.06 0.00 3.53 3.04 -0.12 -4.24 114.94 125.83 1pnf s ASN 284 Ca 0.05 1.76 0.30 0.00 0.04 0.00 0.00 52.86 55.01 1pnf s ASN 284 Cb -0.13 -2.56 1.49 0.00 -1.54 0.00 0.00 41.25 38.52 1pnf s ASN 284 CO -0.09 -0.59 2.00 -0.46 -3.04 0.00 0.00 177.10 174.92 1pnf n ASN 285 N 5.34 0.58 -0.87 -4.21 0.23 0.23 -4.91 115.26 111.66 1pnf n ASN 285 Ca 0.11 -1.07 -0.11 0.00 -0.53 0.00 0.00 54.58 52.98 1pnf n ASN 285 Cb 0.46 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.10 1pnf n ASN 285 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pnf n GLY 286 N 1.12 1.24 0.01 4.83 0.00 -1.26 -4.91 105.19 106.22 1pnf n GLY 286 Ca 0.20 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1pnf n GLY 286 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pnf n THR 287 N -2.64 0.04 -2.69 2.61 -2.24 -1.26 -4.50 114.28 103.60 1pnf n THR 287 Ca -0.11 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 1pnf n THR 287 Cb 0.39 0.57 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1pnf n THR 287 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pnf n ASN 288 N -1.64 1.83 0.00 3.42 4.05 -1.26 -4.96 115.26 116.70 1pnf n ASN 288 Ca 0.04 -2.56 0.00 0.00 0.45 0.00 0.00 54.58 52.51 1pnf n ASN 288 Cb 0.37 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1pnf n ASN 288 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pnf n GLY 289 N -0.31 -2.14 3.97 8.20 0.00 -1.26 -3.80 105.19 109.85 1pnf n GLY 289 Ca 0.12 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 1pnf n GLY 289 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pnf s ASP 290 N -3.61 5.08 -0.05 1.61 1.01 -1.26 -4.61 116.67 114.84 1pnf s ASP 290 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 1pnf s ASP 290 Cb 0.00 -0.79 0.04 0.00 1.01 0.00 0.00 42.92 43.18 1pnf s ASP 290 CO 0.00 -1.31 0.10 0.00 0.21 0.00 0.00 175.17 174.18 1pnf s ALA 291 N -2.88 -0.14 0.01 5.23 0.00 -1.26 -4.02 121.76 118.69 1pnf s ALA 291 Ca 0.59 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 1pnf s ALA 291 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1pnf s ALA 291 CO 0.40 -0.14 -0.01 -0.06 0.00 0.00 0.00 175.76 175.95 1pnf s PHE 292 N 1.13 0.10 -0.39 0.00 0.08 -0.97 -0.79 117.98 117.14 1pnf s PHE 292 Ca -0.09 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 1pnf s PHE 292 Cb -0.12 -0.08 0.10 0.00 -0.57 0.00 0.00 43.02 42.35 1pnf s PHE 292 CO -0.05 -0.08 0.17 0.71 -0.10 0.00 0.00 175.22 175.87 1pnf s TYR 293 N -0.59 3.51 -0.00 0.36 2.02 0.10 -0.79 117.35 121.97 1pnf s TYR 293 Ca -0.06 -2.25 -0.30 0.00 -0.37 0.00 0.00 57.07 54.09 1pnf s TYR 293 Cb -0.04 -3.00 -0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1pnf s TYR 293 CO -0.00 -0.93 1.36 0.00 -1.57 0.00 0.00 175.55 174.41 1pnf s ALA 294 N 1.18 3.56 -0.06 3.71 0.00 -0.05 -0.95 121.76 129.15 1pnf s ALA 294 Ca 0.05 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 1pnf s ALA 294 Cb -0.22 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1pnf s ALA 294 CO -0.03 -0.87 0.21 -1.50 0.00 0.00 0.00 175.76 173.57 1pnf s ILE 295 N 2.30 0.02 -0.02 0.00 2.07 -0.53 -1.47 121.20 123.57 1pnf s ILE 295 Ca 0.62 -0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.73 1pnf s ILE 295 Cb -0.30 -0.34 0.01 0.00 0.13 0.00 0.00 42.46 41.95 1pnf s ILE 295 CO 0.26 -0.08 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.25 1pnf s SER 296 N -0.21 0.45 -0.04 4.50 1.04 -0.75 -0.25 113.70 118.42 1pnf s SER 296 Ca -0.03 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 1pnf s SER 296 Cb -0.03 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1pnf s SER 296 CO 0.01 -0.03 0.03 -0.55 0.98 0.00 0.00 173.24 173.68 1pnf s SER 297 N 0.47 1.02 0.24 7.02 0.15 -0.11 -1.10 113.70 121.39 1pnf s SER 297 Ca -0.05 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.72 1pnf s SER 297 Cb -0.08 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1pnf s SER 297 CO -0.01 -0.20 -0.08 -0.36 1.20 0.00 0.00 173.24 173.79 1pnf s PHE 298 N 1.80 2.58 -0.15 3.44 0.40 0.90 0.36 117.98 127.31 1pnf s PHE 298 Ca 0.01 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1pnf s PHE 298 Cb -0.12 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.23 1pnf s PHE 298 CO -0.03 0.60 -0.18 0.54 0.70 0.00 0.00 175.22 176.85 1pnf s VAL 299 N -2.15 2.42 -0.13 -0.44 0.11 -0.24 -1.09 120.40 118.88 1pnf s VAL 299 Ca 0.29 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1pnf s VAL 299 Cb -0.07 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1pnf s VAL 299 CO 0.17 0.53 0.01 -0.63 -3.33 0.00 0.00 175.10 171.85 1pnf s ILE 300 N 0.81 4.34 -0.11 7.04 1.09 0.18 -2.15 121.20 132.41 1pnf s ILE 300 Ca -0.06 -0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.31 1pnf s ILE 300 Cb -0.15 -2.88 0.00 0.00 -1.06 0.00 0.00 42.46 38.37 1pnf s ILE 300 CO -0.01 0.54 -0.23 0.00 -0.10 0.00 0.00 174.94 175.14 1pnf s ALA 301 N -0.26 2.16 -0.02 9.38 0.00 0.23 -1.64 121.76 131.61 1pnf s ALA 301 Ca 0.06 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1pnf s ALA 301 Cb -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1pnf s ALA 301 CO 0.02 0.23 -0.19 0.15 0.00 0.00 0.00 175.76 175.98 1pnf s LYS 302 N 0.42 1.57 0.10 0.00 1.02 0.64 -0.95 119.74 122.55 1pnf s LYS 302 Ca -0.17 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 1pnf s LYS 302 Cb -0.18 -1.50 0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1pnf s LYS 302 CO 0.07 0.39 0.49 0.45 -0.92 0.00 0.00 175.35 175.83 1pnf s SER 303 N -0.39 -0.38 0.00 2.83 0.15 -0.81 -0.67 113.70 114.43 1pnf s SER 303 Ca 0.06 -0.06 0.30 0.00 0.70 0.00 0.00 55.95 56.95 1pnf s SER 303 Cb -0.08 0.50 1.44 0.00 -1.71 0.00 0.00 66.02 66.18 1pnf s SER 303 CO -0.00 -0.82 1.97 0.59 1.20 0.00 0.00 173.24 176.17 1pnf n ASN 304 N 0.00 0.62 -4.33 5.45 5.03 -1.26 -1.14 115.26 119.64 1pnf n ASN 304 Ca -0.17 -1.05 -0.27 0.00 0.87 0.00 0.00 54.58 53.96 1pnf n ASN 304 Cb 0.63 -0.02 -0.13 0.00 -1.02 0.00 0.00 39.78 39.23 1pnf n ASN 304 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pnf s THR 305 N -2.13 2.00 0.06 3.41 -4.23 -1.26 -4.71 115.64 108.78 1pnf s THR 305 Ca 0.39 -1.58 -0.37 0.00 -1.18 0.00 0.00 61.69 58.95 1pnf s THR 305 Cb 0.21 -1.77 -0.19 0.00 1.34 0.00 0.00 72.50 72.09 1pnf s THR 305 CO 0.39 0.09 1.05 -2.65 -0.54 0.00 0.00 174.62 172.95 1pnf n PRO 306 N 1.18 0.32 -4.56 3.99 -0.02 -1.26 -4.70 135.00 129.94 1pnf n PRO 306 Ca -0.18 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.17 1pnf n PRO 306 Cb 0.53 -1.57 -0.16 0.00 -0.02 0.00 0.00 33.50 32.28 1pnf n PRO 306 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1pnf s ILE 307 N -0.09 1.09 0.47 4.25 2.07 -1.26 -5.01 121.20 122.72 1pnf s ILE 307 Ca 0.84 -0.46 -0.12 0.00 -1.41 0.00 0.00 60.65 59.50 1pnf s ILE 307 Cb -1.12 -0.99 -0.07 0.00 0.13 0.00 0.00 42.46 40.41 1pnf s ILE 307 CO 0.55 0.34 0.87 -0.44 -1.91 0.00 0.00 174.94 174.35 1pnf s SER 308 N 0.61 6.51 0.43 4.50 0.01 -1.26 -4.62 113.70 119.89 1pnf s SER 308 Ca -0.13 1.31 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1pnf s SER 308 Cb -0.15 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 1pnf s SER 308 CO 0.03 -0.53 1.41 0.00 0.41 0.00 0.00 173.24 174.57 1pnf n ALA 309 N -1.61 1.96 -1.23 1.44 0.00 -1.26 -4.71 120.51 115.11 1pnf n ALA 309 Ca 0.04 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1pnf n ALA 309 Cb 0.54 -2.38 0.10 0.00 0.00 0.00 0.00 19.45 17.71 1pnf n ALA 309 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1pnf s PRO 310 N -2.34 2.05 -0.21 0.00 0.02 -1.26 -4.88 135.00 128.38 1pnf s PRO 310 Ca 0.60 1.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.06 1pnf s PRO 310 Cb -0.47 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 1pnf s PRO 310 CO 0.59 -1.85 0.09 0.08 -0.33 0.00 0.00 177.00 175.58 1pnf s VAL 311 N -2.37 4.90 -0.17 3.83 1.01 -0.42 -4.86 120.40 122.32 1pnf s VAL 311 Ca 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1pnf s VAL 311 Cb -0.24 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1pnf s VAL 311 CO 0.49 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 175.22 1pnf s VAL 312 N 0.78 3.32 0.39 2.92 1.01 -1.26 -0.35 120.40 127.21 1pnf s VAL 312 Ca 0.05 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1pnf s VAL 312 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1pnf s VAL 312 CO 0.02 0.48 0.13 0.42 0.00 0.00 0.00 175.10 176.16 1pnf s THR 313 N 0.78 0.59 -2.88 3.92 -4.23 -0.07 -4.96 115.64 108.80 1pnf s THR 313 Ca -0.03 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.73 1pnf s THR 313 Cb -0.15 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.57 1pnf s THR 313 CO 0.01 0.00 1.37 0.59 -0.54 0.00 0.00 174.62 176.06