#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4paz s ASN 2 N 0.00 3.98 -0.10 -1.84 2.47 -1.26 -0.61 114.94 117.58 4paz s ASN 2 Ca 0.00 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.06 4paz s ASN 2 Cb 0.00 -0.81 0.02 0.00 -1.45 0.00 0.00 41.25 39.01 4paz s ASN 2 CO 0.00 0.33 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.98 4paz s ILE 3 N -0.76 1.16 -0.09 -5.21 1.09 -0.33 -4.96 121.20 112.11 4paz s ILE 3 Ca 0.12 -0.42 -0.17 0.00 -1.10 0.00 0.00 60.65 59.08 4paz s ILE 3 Cb -0.11 -1.12 -0.05 0.00 -1.06 0.00 0.00 42.46 40.13 4paz s ILE 3 CO 0.01 0.38 0.46 -0.70 -0.10 0.00 0.00 174.94 174.99 4paz s GLU 4 N 1.31 4.26 -0.05 2.79 2.12 -1.26 -0.45 118.70 127.42 4paz s GLU 4 Ca -0.02 0.43 0.04 0.00 0.36 0.00 0.00 54.97 55.78 4paz s GLU 4 Cb -0.14 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.86 4paz s GLU 4 CO -0.04 0.27 -0.19 0.08 -0.54 0.00 0.00 175.26 174.83 4paz s VAL 5 N 0.27 1.59 -0.11 3.70 1.01 0.47 -4.54 120.40 122.80 4paz s VAL 5 Ca 0.25 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 4paz s VAL 5 Cb -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 4paz s VAL 5 CO 0.11 0.45 0.06 -1.00 0.00 0.00 0.00 175.10 174.72 4paz s HIS 6 N 0.10 3.35 -0.33 5.22 3.76 0.84 -0.54 115.29 127.69 4paz s HIS 6 Ca -0.07 0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 55.07 4paz s HIS 6 Cb -0.13 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.69 4paz s HIS 6 CO 0.03 0.55 0.16 -1.64 -0.85 0.00 0.00 174.74 172.99 4paz s MET 7 N -0.84 3.12 0.15 1.40 -1.94 -0.55 -0.83 119.30 119.82 4paz s MET 7 Ca 0.13 -0.86 0.06 0.00 -1.71 0.00 0.00 55.69 53.31 4paz s MET 7 Cb -0.12 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 4paz s MET 7 CO 0.03 -0.51 -0.13 -0.51 -0.01 0.00 0.00 175.02 173.88 4paz s LEU 8 N 1.57 2.49 0.23 -0.03 1.43 -0.48 -2.74 118.68 121.15 4paz s LEU 8 Ca 0.03 -0.93 0.13 0.00 -1.03 0.00 0.00 54.13 52.33 4paz s LEU 8 Cb -0.18 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 4paz s LEU 8 CO 0.06 -0.20 1.40 0.78 0.23 0.00 0.00 176.35 178.62 4paz h ASN 9 N 3.02 0.00 -3.60 2.29 2.35 -1.92 -0.94 115.58 116.78 4paz h ASN 9 Ca -0.38 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.21 4paz h ASN 9 Cb 1.20 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.31 4paz h ASN 9 CO 0.58 0.65 -0.38 -0.75 -1.65 0.00 0.00 177.43 175.87 4paz s LYS 10 N -2.90 0.32 0.00 0.81 2.36 -1.26 -0.13 119.74 118.94 4paz s LYS 10 Ca 0.03 0.52 0.00 0.00 -2.55 0.00 0.00 55.97 53.97 4paz s LYS 10 Cb 0.08 0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.92 4paz s LYS 10 CO 0.77 -0.10 0.00 0.41 1.55 0.00 0.00 175.35 177.98 4paz n GLY 11 N 3.52 3.61 0.30 5.54 0.00 -0.14 -4.94 105.19 113.08 4paz n GLY 11 Ca -0.18 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 44.77 4paz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4paz h ALA 12 N 1.60 1.53 -0.01 4.61 0.00 -2.00 -2.70 119.26 122.29 4paz h ALA 12 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 4paz h ALA 12 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 4paz h ALA 12 CO 0.00 0.37 -0.18 0.39 0.00 0.00 0.00 179.25 179.83 4paz n GLU 13 N -4.38 0.91 0.00 0.00 -0.58 -1.26 -5.05 120.64 110.28 4paz n GLU 13 Ca 0.03 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 4paz n GLU 13 Cb 0.14 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 4paz n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4paz n GLY 14 N 1.30 0.62 3.87 0.62 0.00 -1.02 -5.08 105.19 105.49 4paz n GLY 14 Ca 0.14 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 4paz n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4paz s ALA 15 N -1.25 3.39 -0.42 4.61 0.00 -1.26 -0.96 121.76 125.86 4paz s ALA 15 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 4paz s ALA 15 Cb 0.00 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.49 4paz s ALA 15 CO 0.00 0.15 0.56 -1.33 0.00 0.00 0.00 175.76 175.14 4paz n MET 16 N -0.91 -2.33 -4.20 0.00 2.81 0.82 -4.83 117.12 108.47 4paz n MET 16 Ca 0.02 2.00 -0.12 0.00 -1.81 0.00 0.00 57.70 57.79 4paz n MET 16 Cb 0.54 -4.80 -0.10 0.00 -0.71 0.00 0.00 33.22 28.15 4paz n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 4paz s VAL 17 N -2.27 0.79 -0.13 2.03 -7.23 -0.36 -3.76 120.40 109.47 4paz s VAL 17 Ca 0.26 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.40 4paz s VAL 17 Cb -0.06 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 4paz s VAL 17 CO 0.78 -0.76 0.08 -0.36 -0.31 0.00 0.00 175.10 174.53 4paz s PHE 18 N -3.57 3.38 -0.12 2.82 0.08 -1.26 -1.38 117.98 117.93 4paz s PHE 18 Ca 0.16 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.52 4paz s PHE 18 Cb 0.05 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 4paz s PHE 18 CO -0.02 0.50 -0.09 -1.21 -0.10 0.00 0.00 175.22 174.30 4paz s GLU 19 N -0.58 1.68 0.78 0.44 2.02 -0.01 -3.15 118.70 119.88 4paz s GLU 19 Ca 0.11 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 4paz s GLU 19 Cb -0.12 -1.67 0.06 0.00 0.10 0.00 0.00 34.13 32.50 4paz s GLU 19 CO 0.02 -0.24 1.10 -1.25 0.02 0.00 0.00 175.26 174.91 4paz s PRO 20 N 1.59 2.22 0.00 0.39 0.04 -1.26 -0.11 135.00 137.87 4paz s PRO 20 Ca 0.04 0.55 0.23 0.00 0.04 0.00 0.00 61.00 61.85 4paz s PRO 20 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 4paz s PRO 20 CO -0.08 -1.51 1.09 0.00 0.04 0.00 0.00 177.00 176.55 4paz n ALA 21 N -3.34 3.65 -4.07 8.56 0.00 -1.19 -4.80 120.51 119.32 4paz n ALA 21 Ca 0.07 -0.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 4paz n ALA 21 Cb 0.57 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 19.05 4paz n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 4paz s TYR 22 N -2.53 2.62 -0.13 0.00 5.04 -1.26 -0.20 117.35 120.89 4paz s TYR 22 Ca 0.18 -1.60 0.02 0.00 -2.44 0.00 0.00 57.07 53.23 4paz s TYR 22 Cb 0.18 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.70 4paz s TYR 22 CO 0.60 -0.77 -0.19 0.42 -1.34 0.00 0.00 175.55 174.27 4paz s ILE 23 N 1.34 1.82 -0.18 3.14 1.09 -0.13 -4.98 121.20 123.29 4paz s ILE 23 Ca 0.03 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.66 4paz s ILE 23 Cb -0.14 -1.64 -0.05 0.00 -1.06 0.00 0.00 42.46 39.58 4paz s ILE 23 CO -0.11 0.50 0.13 -0.75 -0.10 0.00 0.00 174.94 174.62 4paz s LYS 24 N 1.00 4.00 0.33 2.79 2.20 -1.26 -4.22 119.74 124.57 4paz s LYS 24 Ca -0.04 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 4paz s LYS 24 Cb -0.15 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 4paz s LYS 24 CO -0.04 0.42 0.50 0.00 -0.36 0.00 0.00 175.35 175.87 4paz s ALA 25 N 0.01 0.51 0.18 3.13 0.00 -0.65 -5.04 121.76 119.90 4paz s ALA 25 Ca 0.10 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.74 4paz s ALA 25 Cb -0.11 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 4paz s ALA 25 CO -0.00 -0.81 -0.11 -0.80 0.00 0.00 0.00 175.76 174.03 4paz s ASN 26 N -3.19 2.15 -0.05 0.00 -0.87 -1.26 -1.93 114.94 109.79 4paz s ASN 26 Ca 0.28 -1.04 -0.36 0.00 -1.57 0.00 0.00 52.86 50.18 4paz s ASN 26 Cb -0.01 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.25 41.02 4paz s ASN 26 CO 0.18 -0.28 1.72 -2.65 -2.57 0.00 0.00 177.10 173.50 4paz n PRO 27 N -0.30 1.85 0.00 -0.60 -0.02 -1.26 -0.34 135.00 134.32 4paz n PRO 27 Ca -0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 4paz n PRO 27 Cb 0.61 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 4paz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4paz n GLY 28 N 3.92 3.03 3.76 -1.23 0.00 0.12 -4.98 105.19 109.80 4paz n GLY 28 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 4paz n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4paz s ASP 29 N -1.24 3.94 0.16 1.61 1.01 0.54 -4.59 116.67 118.09 4paz s ASP 29 Ca 0.00 1.38 0.11 0.00 0.71 0.00 0.00 52.55 54.75 4paz s ASP 29 Cb 0.00 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 4paz s ASP 29 CO 0.00 -2.33 -0.25 0.42 0.21 0.00 0.00 175.17 173.22 4paz s THR 30 N -3.05 2.28 -0.14 -1.27 -4.23 0.22 -2.01 115.64 107.44 4paz s THR 30 Ca 0.62 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 4paz s THR 30 Cb -0.16 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.65 4paz s THR 30 CO 0.56 -0.02 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.77 4paz s VAL 31 N -1.38 1.62 -0.27 2.29 1.01 0.30 -1.18 120.40 122.79 4paz s VAL 31 Ca 0.17 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 4paz s VAL 31 Cb -0.09 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 4paz s VAL 31 CO 0.08 0.47 0.08 -0.89 0.00 0.00 0.00 175.10 174.84 4paz s THR 32 N 1.31 4.31 -0.29 3.92 2.01 0.40 -0.26 115.64 127.04 4paz s THR 32 Ca 0.01 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 4paz s THR 32 Cb -0.13 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 4paz s THR 32 CO -0.08 0.26 0.36 -0.36 -0.69 0.00 0.00 174.62 174.11 4paz s PHE 33 N 1.60 3.23 -0.21 4.92 0.08 0.66 -0.39 117.98 127.86 4paz s PHE 33 Ca 0.06 0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 4paz s PHE 33 Cb -0.16 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 4paz s PHE 33 CO 0.04 -0.29 -0.07 0.42 -0.10 0.00 0.00 175.22 175.22 4paz s ILE 34 N 2.04 3.21 -1.16 0.64 1.01 0.30 -1.67 121.20 125.58 4paz s ILE 34 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 4paz s ILE 34 Cb -0.16 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.90 4paz s ILE 34 CO 0.11 0.45 1.68 -2.16 0.00 0.00 0.00 174.94 175.02 4paz s PRO 35 N 1.35 3.55 0.27 2.79 0.04 -1.26 -1.48 135.00 140.26 4paz s PRO 35 Ca 0.04 -1.46 -0.02 0.00 0.04 0.00 0.00 61.00 59.60 4paz s PRO 35 Cb -0.14 -5.40 0.36 0.00 0.04 0.00 0.00 34.50 29.36 4paz s PRO 35 CO -0.04 -2.55 1.80 0.28 0.04 0.00 0.00 177.00 176.54 4paz h VAL 36 N 6.20 1.23 -3.14 -0.36 2.07 -1.89 -3.42 116.25 116.93 4paz h VAL 36 Ca 0.31 -0.86 -0.63 0.00 0.82 0.00 0.00 66.70 66.34 4paz h VAL 36 Cb 0.94 0.70 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 4paz h VAL 36 CO 1.40 0.32 -0.68 -1.81 0.02 0.00 0.00 177.57 176.82 4paz s ASP 37 N -6.58 4.69 0.67 0.57 1.01 -1.13 -5.06 116.67 110.84 4paz s ASP 37 Ca -0.10 -0.36 -0.08 0.00 0.71 0.00 0.00 52.55 52.71 4paz s ASP 37 Cb 0.15 -0.99 0.03 0.00 1.01 0.00 0.00 42.92 43.13 4paz s ASP 37 CO 0.81 0.13 1.01 -0.54 0.21 0.00 0.00 175.17 176.79 4paz s LYS 38 N -2.63 2.62 0.00 8.23 3.01 -1.26 -4.44 119.74 125.26 4paz s LYS 38 Ca 0.25 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 55.29 4paz s LYS 38 Cb -0.10 -2.14 0.00 0.00 -1.01 0.00 0.00 37.83 34.58 4paz s LYS 38 CO 0.17 -1.02 0.00 0.41 0.51 0.00 0.00 175.35 175.42 4paz n GLY 39 N -2.87 0.66 3.58 -3.33 0.00 -1.26 -4.97 105.19 97.00 4paz n GLY 39 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 4paz n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4paz s HIS 40 N -2.00 2.54 0.02 1.61 3.76 -1.26 -4.76 115.29 115.19 4paz s HIS 40 Ca 0.00 -0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 54.64 4paz s HIS 40 Cb 0.00 -1.12 0.00 0.00 1.11 0.00 0.00 32.58 32.57 4paz s HIS 40 CO 0.00 0.66 0.03 0.27 -0.85 0.00 0.00 174.74 174.85 4paz n ASN 41 N -0.76 -0.09 -3.85 1.40 6.94 -1.26 -1.32 115.26 116.31 4paz n ASN 41 Ca -0.06 -1.08 -0.12 0.00 -0.02 0.00 0.00 54.58 53.30 4paz n ASN 41 Cb 0.59 0.15 -0.14 0.00 -2.36 0.00 0.00 39.78 38.03 4paz n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 4paz s VAL 42 N -2.78 -0.01 -0.08 3.53 0.11 -1.26 -4.11 120.40 115.80 4paz s VAL 42 Ca 0.01 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 4paz s VAL 42 Cb -0.00 -0.04 0.03 0.00 -1.53 0.00 0.00 36.38 34.83 4paz s VAL 42 CO 0.01 0.01 0.20 -0.70 -3.33 0.00 0.00 175.10 171.29 4paz s GLU 43 N 0.16 0.21 0.46 1.54 2.12 0.13 -0.74 118.70 122.57 4paz s GLU 43 Ca -0.01 0.36 -0.23 0.00 0.36 0.00 0.00 54.97 55.45 4paz s GLU 43 Cb -0.02 0.01 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 4paz s GLU 43 CO -0.00 -0.08 1.16 -1.54 -0.54 0.00 0.00 175.26 174.25 4paz s SER 44 N 0.55 6.20 -0.07 -1.70 1.04 -0.46 -0.89 113.70 118.38 4paz s SER 44 Ca -0.04 2.29 -0.15 0.00 0.48 0.00 0.00 55.95 58.53 4paz s SER 44 Cb -0.05 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 4paz s SER 44 CO -0.03 -0.90 0.38 -0.63 0.98 0.00 0.00 173.24 173.05 4paz s ILE 45 N -1.55 5.15 0.18 -1.02 1.01 -1.08 -4.81 121.20 119.08 4paz s ILE 45 Ca 0.63 0.77 -0.33 0.00 0.00 0.00 0.00 60.65 61.72 4paz s ILE 45 Cb -0.28 -3.70 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 4paz s ILE 45 CO 0.34 0.49 1.61 2.29 0.00 0.00 0.00 174.94 179.67 4paz n LYS 46 N 2.60 2.33 -0.96 2.79 -0.00 -1.26 -1.46 118.16 122.19 4paz n LYS 46 Ca -0.12 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 4paz n LYS 46 Cb 0.52 -2.62 0.00 0.00 -0.00 0.00 0.00 35.03 32.93 4paz n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 4paz n ASP 47 N 3.46 -2.86 -1.03 -5.58 2.03 -1.26 -4.85 116.55 106.46 4paz n ASP 47 Ca 0.16 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.47 4paz n ASP 47 Cb 0.31 -1.20 0.15 0.00 -0.72 0.00 0.00 41.12 39.65 4paz n ASP 47 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 4paz n MET 48 N -1.88 1.81 -4.13 -0.67 2.81 -0.53 -4.90 117.12 109.63 4paz n MET 48 Ca 0.00 -3.34 -0.10 0.00 -1.81 0.00 0.00 57.70 52.45 4paz n MET 48 Cb 0.11 -1.57 -0.10 0.00 -0.71 0.00 0.00 33.22 30.94 4paz n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 4paz s ILE 49 N -3.17 0.52 0.78 2.02 -4.36 -1.25 -1.05 121.20 114.69 4paz s ILE 49 Ca 0.40 -1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 58.90 4paz s ILE 49 Cb 0.38 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.72 4paz s ILE 49 CO -0.06 -0.83 1.21 -2.84 0.24 0.00 0.00 174.94 172.67 4paz s PRO 50 N -3.45 1.83 0.14 0.37 0.02 -1.23 -4.90 135.00 127.77 4paz s PRO 50 Ca 0.06 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 4paz s PRO 50 Cb 0.03 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 4paz s PRO 50 CO -0.05 -2.08 1.82 -0.85 -0.33 0.00 0.00 177.00 175.51 4paz n GLU 51 N -3.05 2.83 -0.01 5.54 0.00 -1.26 -1.82 120.64 122.87 4paz n GLU 51 Ca 0.14 1.03 0.00 0.00 0.00 0.00 0.00 57.16 58.32 4paz n GLU 51 Cb 0.50 -2.92 0.00 0.00 0.00 0.00 0.00 31.44 29.02 4paz n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 4paz n GLY 52 N 4.20 0.56 3.86 -1.84 0.00 -1.26 -5.02 105.19 105.69 4paz n GLY 52 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 4paz n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4paz s ALA 53 N -2.20 3.21 0.07 4.61 0.00 -0.76 -4.97 121.76 121.73 4paz s ALA 53 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 4paz s ALA 53 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 4paz s ALA 53 CO 0.00 -0.07 0.37 -2.00 0.00 0.00 0.00 175.76 174.06 4paz s GLU 54 N -3.83 3.70 0.75 0.00 2.12 -1.26 -4.96 118.70 115.22 4paz s GLU 54 Ca 0.55 0.08 -0.11 0.00 0.36 0.00 0.00 54.97 55.86 4paz s GLU 54 Cb -0.10 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.34 4paz s GLU 54 CO 0.29 0.56 1.08 -1.59 -0.54 0.00 0.00 175.26 175.06 4paz s LYS 55 N -1.99 2.49 0.08 4.30 0.00 -1.26 -5.05 119.74 118.31 4paz s LYS 55 Ca 0.33 1.04 -0.16 0.00 0.00 0.00 0.00 55.97 57.18 4paz s LYS 55 Cb -0.13 -1.93 0.03 0.00 0.00 0.00 0.00 37.83 35.79 4paz s LYS 55 CO 0.19 -1.44 0.37 -0.59 0.00 0.00 0.00 175.35 173.87 4paz s PHE 56 N -2.98 -0.17 -0.27 1.78 -0.12 -1.26 -5.01 117.98 109.95 4paz s PHE 56 Ca 0.60 -0.04 -0.10 0.00 -0.05 0.00 0.00 56.93 57.34 4paz s PHE 56 Cb -0.16 0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.53 4paz s PHE 56 CO 0.56 -0.61 0.60 0.21 -0.05 0.00 0.00 175.22 175.92 4paz s LYS 57 N -3.18 0.54 0.49 1.99 2.20 -1.26 -1.35 119.74 119.17 4paz s LYS 57 Ca -0.01 1.30 0.01 0.00 -0.36 0.00 0.00 55.97 56.91 4paz s LYS 57 Cb 0.01 0.60 0.01 0.00 -1.51 0.00 0.00 37.83 36.94 4paz s LYS 57 CO -0.07 -0.20 0.71 -1.54 -0.36 0.00 0.00 175.35 173.89 4paz s SER 58 N 2.56 5.60 0.38 1.43 1.04 0.09 -5.00 113.70 119.79 4paz s SER 58 Ca -0.06 0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 4paz s SER 58 Cb -0.11 -1.26 -0.08 0.00 0.10 0.00 0.00 66.02 64.68 4paz s SER 58 CO -0.18 -0.89 0.77 -0.54 0.98 0.00 0.00 173.24 173.39 4paz s LYS 59 N -4.64 3.89 0.31 4.02 1.02 -1.26 -4.54 119.74 118.54 4paz s LYS 59 Ca 0.52 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.81 4paz s LYS 59 Cb -0.10 -2.39 -0.12 0.00 -0.52 0.00 0.00 37.83 34.70 4paz s LYS 59 CO 0.38 0.03 1.45 -0.89 -0.92 0.00 0.00 175.35 175.40 4paz n ILE 60 N -0.91 1.44 -0.98 2.17 5.41 -1.26 -2.60 119.36 122.62 4paz n ILE 60 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.42 4paz n ILE 60 Cb 0.54 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 4paz n ILE 60 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 4paz n ASN 61 N 1.48 -4.43 -4.88 4.38 3.02 -0.44 -4.98 115.26 109.41 4paz n ASN 61 Ca 0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 4paz n ASN 61 Cb 0.36 -2.22 -0.05 0.00 -0.61 0.00 0.00 39.78 37.26 4paz n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 4paz s GLU 62 N -1.14 3.69 0.20 3.52 -1.05 -1.07 -4.79 118.70 118.05 4paz s GLU 62 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 4paz s GLU 62 Cb 0.00 -2.92 -0.09 0.00 -0.44 0.00 0.00 34.13 30.68 4paz s GLU 62 CO 0.00 0.51 1.31 -0.80 0.95 0.00 0.00 175.26 177.24 4paz s ASN 63 N -2.07 6.89 -0.04 0.83 -0.87 -1.26 -4.54 114.94 113.87 4paz s ASN 63 Ca 0.37 2.42 0.02 0.00 -1.57 0.00 0.00 52.86 54.09 4paz s ASN 63 Cb -0.13 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.50 4paz s ASN 63 CO 0.21 -0.53 -0.07 -0.47 -2.57 0.00 0.00 177.10 173.67 4paz s TYR 64 N 0.08 0.83 -0.27 2.20 5.04 -0.67 -4.98 117.35 119.59 4paz s TYR 64 Ca 0.57 -0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.93 4paz s TYR 64 Cb -0.37 -0.66 0.02 0.00 0.35 0.00 0.00 41.96 41.30 4paz s TYR 64 CO 0.39 -0.15 0.02 0.08 -1.34 0.00 0.00 175.55 174.54 4paz s VAL 65 N 0.56 3.46 -0.20 3.14 1.01 -1.26 -0.25 120.40 126.86 4paz s VAL 65 Ca -0.08 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 4paz s VAL 65 Cb -0.12 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 4paz s VAL 65 CO 0.01 0.13 0.18 -0.22 0.00 0.00 0.00 175.10 175.20 4paz s LEU 66 N 1.42 4.20 -0.25 3.92 2.96 0.64 -4.93 118.68 126.64 4paz s LEU 66 Ca 0.01 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 4paz s LEU 66 Cb -0.17 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 4paz s LEU 66 CO -0.01 0.13 0.16 -0.89 -1.32 0.00 0.00 176.35 174.43 4paz s THR 67 N 0.54 5.31 -0.19 3.68 2.01 -1.26 -0.54 115.64 125.20 4paz s THR 67 Ca 0.10 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 4paz s THR 67 Cb -0.12 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 4paz s THR 67 CO 0.01 0.33 0.09 0.68 -0.69 0.00 0.00 174.62 175.04 4paz s VAL 68 N 1.19 5.04 -0.05 3.82 -7.23 -0.85 -4.96 120.40 117.36 4paz s VAL 68 Ca 0.07 0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 4paz s VAL 68 Cb -0.14 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 4paz s VAL 68 CO 0.06 0.45 -0.06 0.41 -0.31 0.00 0.00 175.10 175.65 4paz n THR 69 N 3.52 0.27 -2.65 5.32 -1.04 -1.26 0.13 114.28 118.57 4paz n THR 69 Ca -0.16 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 4paz n THR 69 Cb 0.52 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 67.42 4paz n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 4paz s GLN 70 N -2.09 4.73 0.68 -2.82 -1.52 -1.26 -4.55 119.66 112.83 4paz s GLN 70 Ca -0.07 1.58 -0.11 0.00 -1.95 0.00 0.00 55.36 54.81 4paz s GLN 70 Cb 0.03 -3.29 -0.00 0.00 -0.22 0.00 0.00 33.01 29.53 4paz s GLN 70 CO 0.08 0.30 1.05 -1.25 -0.25 0.00 0.00 175.29 175.23 4paz s PRO 71 N -0.75 3.06 0.00 2.91 0.05 -1.26 -4.81 135.00 134.19 4paz s PRO 71 Ca 0.45 0.93 0.00 0.00 0.05 0.00 0.00 61.00 62.43 4paz s PRO 71 Cb -0.27 -2.01 0.00 0.00 0.05 0.00 0.00 34.50 32.27 4paz s PRO 71 CO 0.34 -1.00 0.00 0.41 0.05 0.00 0.00 177.00 176.79 4paz n GLY 72 N -2.09 0.71 3.81 0.56 0.00 0.06 -4.80 105.19 103.43 4paz n GLY 72 Ca 0.07 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 4paz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4paz s ALA 73 N -1.32 3.66 -0.09 4.61 0.00 -1.26 -0.19 121.76 127.18 4paz s ALA 73 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.07 4paz s ALA 73 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.55 4paz s ALA 73 CO 0.00 0.73 -0.10 0.71 0.00 0.00 0.00 175.76 177.10 4paz s TYR 74 N -1.30 1.45 -0.23 0.00 1.51 -1.26 -3.53 117.35 113.99 4paz s TYR 74 Ca 0.26 -0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 55.63 4paz s TYR 74 Cb -0.12 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 4paz s TYR 74 CO 0.18 -0.39 0.07 -1.17 -1.11 0.00 0.00 175.55 173.14 4paz s LEU 75 N 1.15 3.53 0.22 -1.29 2.96 -0.21 -0.60 118.68 124.44 4paz s LEU 75 Ca -0.05 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 4paz s LEU 75 Cb -0.14 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 4paz s LEU 75 CO -0.02 0.02 -0.11 0.68 -1.32 0.00 0.00 176.35 175.60 4paz s VAL 76 N 1.29 3.01 0.24 1.68 -7.23 -0.44 -2.62 120.40 116.33 4paz s VAL 76 Ca 0.05 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 4paz s VAL 76 Cb -0.15 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 4paz s VAL 76 CO 0.03 -0.24 0.05 -1.59 -0.31 0.00 0.00 175.10 173.05 4paz s LYS 77 N -3.16 1.36 -0.17 4.82 -2.85 -0.07 -1.77 119.74 117.90 4paz s LYS 77 Ca 0.27 -1.71 -0.18 0.00 -1.00 0.00 0.00 55.97 53.35 4paz s LYS 77 Cb -0.07 -0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.26 4paz s LYS 77 CO 0.16 -0.21 0.48 0.00 0.10 0.00 0.00 175.35 175.88 4paz h THR 79 N 4.96 0.97 -0.07 0.00 2.02 -1.91 -1.59 112.91 117.28 4paz h THR 79 Ca -0.37 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 4paz h THR 79 Cb 1.16 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 4paz h THR 79 CO 0.74 0.13 -0.66 0.00 0.37 0.00 0.00 175.52 176.10 4paz h ALA 80 N 1.36 0.74 -0.15 6.16 0.00 -1.93 -3.34 119.26 122.10 4paz h ALA 80 Ca 0.31 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 4paz h ALA 80 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 4paz h ALA 80 CO -0.19 0.76 -0.16 0.72 0.00 0.00 0.00 179.25 180.38 4paz n HIS 81 N -3.85 0.49 -0.21 0.00 8.25 -1.06 -4.70 115.22 114.14 4paz n HIS 81 Ca -0.03 -1.30 -0.04 0.00 -0.26 0.00 0.00 57.72 56.10 4paz n HIS 81 Cb 0.66 -0.31 0.07 0.00 1.12 0.00 0.00 29.99 31.53 4paz n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 4paz h TYR 82 N 0.89 0.67 0.00 4.41 3.20 -1.42 -0.68 116.97 124.04 4paz h TYR 82 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 4paz h TYR 82 Cb 1.28 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.33 4paz h TYR 82 CO 0.61 0.36 0.00 0.00 -1.64 0.00 0.00 178.16 177.49 4paz n ALA 83 N -2.31 1.67 0.39 1.82 0.00 -1.26 -1.33 120.51 119.48 4paz n ALA 83 Ca 0.06 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.67 4paz n ALA 83 Cb 0.11 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.46 4paz n ALA 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 4paz n MET 84 N -2.13 2.30 -0.19 0.00 2.81 -0.31 -4.83 117.12 114.77 4paz n MET 84 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 4paz n MET 84 Cb 0.22 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 4paz n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 4paz n GLY 85 N 1.41 0.90 3.53 3.03 0.00 -0.44 -4.85 105.19 108.77 4paz n GLY 85 Ca 0.19 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 4paz n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 4paz s MET 86 N -0.78 3.39 0.14 1.61 -2.45 -0.89 -4.85 119.30 115.47 4paz s MET 86 Ca 0.00 -0.83 -0.04 0.00 -1.25 0.00 0.00 55.69 53.58 4paz s MET 86 Cb 0.00 -4.76 -0.03 0.00 1.25 0.00 0.00 34.83 31.29 4paz s MET 86 CO 0.00 -2.10 0.13 0.96 1.05 0.00 0.00 175.02 175.06 4paz s ILE 87 N 4.94 0.09 0.02 10.11 -4.36 -1.26 -1.98 121.20 128.76 4paz s ILE 87 Ca 0.38 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 4paz s ILE 87 Cb -0.05 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 4paz s ILE 87 CO 0.01 -0.40 -0.01 0.00 0.24 0.00 0.00 174.94 174.78 4paz s ALA 88 N -4.02 0.11 -0.16 2.27 0.00 -0.73 -4.43 121.76 114.80 4paz s ALA 88 Ca 0.22 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 4paz s ALA 88 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 4paz s ALA 88 CO 0.01 -0.18 -0.09 -1.17 0.00 0.00 0.00 175.76 174.33 4paz s LEU 89 N -1.58 2.86 -0.26 0.00 2.96 0.72 -1.32 118.68 122.05 4paz s LEU 89 Ca -0.14 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.31 4paz s LEU 89 Cb -0.08 -1.68 -0.14 0.00 0.50 0.00 0.00 46.19 44.79 4paz s LEU 89 CO -0.02 0.11 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.51 4paz n ILE 90 N 3.92 1.53 -2.28 6.68 5.41 0.23 -0.96 119.36 133.89 4paz n ILE 90 Ca -0.18 -0.34 -0.04 0.00 1.00 0.00 0.00 62.75 63.19 4paz n ILE 90 Cb 0.52 -1.88 0.01 0.00 -0.71 0.00 0.00 39.64 37.57 4paz n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 4paz n ALA 91 N -4.02 -3.04 -3.08 -1.39 0.00 -1.22 -4.22 120.51 103.54 4paz n ALA 91 Ca -0.50 0.65 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 4paz n ALA 91 Cb 0.86 -2.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 4paz n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4paz s VAL 92 N -1.83 4.27 0.00 0.00 1.01 0.74 -1.64 120.40 122.95 4paz s VAL 92 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.89 4paz s VAL 92 Cb -0.04 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.33 4paz s VAL 92 CO 0.45 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.48 4paz n GLY 93 N 4.92 -2.25 3.88 4.51 0.00 -0.81 -0.76 105.19 114.68 4paz n GLY 93 Ca -0.16 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 4paz n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4paz s ASP 94 N -2.26 6.48 -0.76 1.61 1.01 -1.26 -4.52 116.67 116.97 4paz s ASP 94 Ca 0.00 1.06 -0.05 0.00 0.71 0.00 0.00 52.55 54.26 4paz s ASP 94 Cb 0.00 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.65 4paz s ASP 94 CO 0.00 -0.40 0.52 -1.20 0.21 0.00 0.00 175.17 174.30 4paz n SER 95 N -1.38 -3.94 -4.68 0.27 7.64 -1.26 -4.80 113.62 105.48 4paz n SER 95 Ca 0.02 -0.89 -0.43 0.00 1.01 0.00 0.00 58.87 58.58 4paz n SER 95 Cb 0.54 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 4paz n SER 95 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 4paz n PRO 96 N -2.70 2.69 0.27 1.43 -0.02 -1.26 -4.86 135.00 130.54 4paz n PRO 96 Ca -0.25 0.98 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 4paz n PRO 96 Cb 0.57 -2.88 0.72 0.00 -0.02 0.00 0.00 33.50 31.90 4paz n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4paz h ALA 97 N 9.10 1.60 -0.65 3.55 0.00 -1.93 -3.00 119.26 127.93 4paz h ALA 97 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 4paz h ALA 97 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 4paz h ALA 97 CO 0.94 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.55 4paz n ASN 98 N -4.04 4.15 -0.12 0.00 6.94 -1.26 -4.58 115.26 116.35 4paz n ASN 98 Ca -0.03 -2.19 -0.11 0.00 -0.02 0.00 0.00 54.58 52.24 4paz n ASN 98 Cb 0.16 -0.50 -0.02 0.00 -2.36 0.00 0.00 39.78 37.06 4paz n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 4paz h LEU 99 N 3.91 0.60 -1.16 -4.53 5.85 -1.89 -1.74 115.31 116.35 4paz h LEU 99 Ca 0.00 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 4paz h LEU 99 Cb 1.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 4paz h LEU 99 CO 0.09 0.75 -0.11 0.44 -0.34 0.00 0.00 178.44 179.26 4paz h ASP 100 N 0.43 0.43 -0.09 1.25 3.32 -1.84 -1.34 116.42 118.58 4paz h ASP 100 Ca 0.10 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 4paz h ASP 100 Cb 0.43 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 4paz h ASP 100 CO 0.02 0.58 0.03 -0.61 -1.72 0.00 0.00 179.24 177.53 4paz h GLN 101 N 0.42 0.13 -0.67 3.56 -0.00 -1.82 -1.81 115.11 114.91 4paz h GLN 101 Ca 0.08 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.68 4paz h GLN 101 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.88 4paz h GLN 101 CO 0.03 0.28 0.32 0.82 0.00 0.00 0.00 178.83 180.27 4paz h ILE 102 N -0.04 1.22 -0.16 2.39 2.04 -0.90 -1.02 117.51 121.05 4paz h ILE 102 Ca 0.03 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 4paz h ILE 102 Cb 0.20 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 4paz h ILE 102 CO -0.00 0.26 -0.20 0.58 0.00 0.00 0.00 178.15 178.79 4paz h VAL 103 N 0.95 1.22 0.00 1.67 2.07 -1.05 -2.48 116.25 118.63 4paz h VAL 103 Ca 0.23 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.74 4paz h VAL 103 Cb 0.11 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 4paz h VAL 103 CO -0.03 0.31 -0.09 0.28 0.02 0.00 0.00 177.57 178.07 4paz h SER 104 N 0.25 0.00 -4.17 0.57 0.02 -0.63 -3.48 113.55 106.11 4paz h SER 104 Ca 0.04 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.46 4paz h SER 104 Cb 0.51 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.19 4paz h SER 104 CO 0.03 0.00 0.40 0.00 -1.14 0.00 0.00 176.83 176.13 4paz s ALA 105 N -3.18 2.25 0.12 3.77 0.00 -0.45 -4.94 121.76 119.33 4paz s ALA 105 Ca 0.08 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 4paz s ALA 105 Cb 0.08 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 4paz s ALA 105 CO 0.66 -1.65 1.40 0.21 0.00 0.00 0.00 175.76 176.37 4paz s LYS 106 N -3.88 4.31 0.14 0.00 2.20 -1.26 -4.99 119.74 116.26 4paz s LYS 106 Ca 0.73 2.10 -0.25 0.00 -0.36 0.00 0.00 55.97 58.19 4paz s LYS 106 Cb -0.27 -3.24 0.07 0.00 -1.51 0.00 0.00 37.83 32.88 4paz s LYS 106 CO 0.43 -0.45 0.83 -1.59 -0.36 0.00 0.00 175.35 174.22 4paz s LYS 107 N 1.06 1.23 0.59 4.03 -2.85 -1.26 -5.15 119.74 117.38 4paz s LYS 107 Ca 0.65 -0.60 -0.19 0.00 -1.00 0.00 0.00 55.97 54.82 4paz s LYS 107 Cb -0.37 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 4paz s LYS 107 CO 0.31 -0.55 1.13 -2.30 0.10 0.00 0.00 175.35 174.03 4paz n PRO 108 N -0.39 1.15 -0.23 1.78 -0.02 -1.26 -4.76 135.00 131.26 4paz n PRO 108 Ca -0.08 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 4paz n PRO 108 Cb 0.61 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.86 4paz n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 4paz h LYS 109 N 0.78 0.68 -0.37 -0.52 1.63 -1.99 -0.59 116.57 116.20 4paz h LYS 109 Ca -0.49 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.19 4paz h LYS 109 Cb 1.34 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 4paz h LYS 109 CO 0.53 0.45 -0.09 0.97 -3.45 0.00 0.00 179.45 177.87 4paz h ILE 110 N 0.70 1.24 -0.30 2.00 6.09 -1.91 0.10 117.51 125.43 4paz h ILE 110 Ca 0.30 -1.03 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 4paz h ILE 110 Cb 0.18 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 4paz h ILE 110 CO -0.18 0.35 0.09 0.58 -3.07 0.00 0.00 178.15 175.92 4paz h VAL 111 N 0.57 1.20 -0.78 2.19 2.07 -1.53 -1.67 116.25 118.32 4paz h VAL 111 Ca 0.11 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.98 4paz h VAL 111 Cb 0.49 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 4paz h VAL 111 CO 0.03 0.22 0.51 -0.61 0.02 0.00 0.00 177.57 177.74 4paz h GLN 112 N 0.33 1.01 -0.64 1.57 5.75 -0.63 0.73 115.11 123.23 4paz h GLN 112 Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 4paz h GLN 112 Cb 0.25 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 4paz h GLN 112 CO -0.00 0.67 0.39 0.93 -2.65 0.00 0.00 178.83 178.17 4paz h GLU 113 N 1.05 0.87 -0.21 1.69 5.08 -0.55 -1.53 114.58 120.98 4paz h GLU 113 Ca 0.29 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 4paz h GLU 113 Cb -0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 4paz h GLU 113 CO -0.07 0.62 -0.44 0.00 -1.00 0.00 0.00 179.01 178.11 4paz h ARG 114 N 0.87 0.52 -0.54 2.33 3.08 -0.69 -2.42 114.38 117.52 4paz h ARG 114 Ca 0.23 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.01 4paz h ARG 114 Cb -0.03 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 4paz h ARG 114 CO -0.04 0.86 0.35 1.25 -1.07 0.00 0.00 179.97 181.32 4paz h LEU 115 N 0.42 0.63 -1.22 3.04 5.85 -0.48 -0.62 115.31 122.93 4paz h LEU 115 Ca 0.03 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 4paz h LEU 115 Cb 0.94 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 4paz h LEU 115 CO 0.08 0.46 0.24 -0.33 -0.34 0.00 0.00 178.44 178.56 4paz h GLU 116 N 0.73 0.79 -0.30 1.25 5.08 -1.19 -0.49 114.58 120.45 4paz h GLU 116 Ca 0.20 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 4paz h GLU 116 Cb -0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 4paz h GLU 116 CO -0.04 0.63 -0.37 0.87 -1.00 0.00 0.00 179.01 179.10 4paz h LYS 117 N 0.79 0.79 -0.68 2.33 6.56 -0.89 -1.90 116.57 123.56 4paz h LYS 117 Ca 0.19 -0.44 -0.05 0.00 -1.06 0.00 0.00 60.65 59.29 4paz h LYS 117 Cb 0.12 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.78 4paz h LYS 117 CO -0.02 1.07 0.23 -0.39 -2.06 0.00 0.00 179.45 178.28 4paz h VAL 118 N 0.55 1.25 -0.42 0.50 -1.51 -0.42 0.71 116.25 116.90 4paz h VAL 118 Ca 0.04 -0.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.61 4paz h VAL 118 Cb 0.96 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 4paz h VAL 118 CO 0.09 0.33 -0.03 0.40 -1.23 0.00 0.00 177.57 177.13 4paz h ILE 119 N 1.00 1.27 0.00 7.19 2.04 -1.02 -2.98 117.51 125.01 4paz h ILE 119 Ca 0.22 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.01 4paz h ILE 119 Cb 0.26 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 4paz h ILE 119 CO -0.01 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.50 4paz n ALA 120 N -2.42 -0.03 -1.13 1.87 0.00 -0.72 -3.82 120.51 114.26 4paz n ALA 120 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 4paz n ALA 120 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 4paz n ALA 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 4paz n SER 121 N -1.05 2.53 0.00 0.00 3.41 0.24 -2.11 113.62 116.65 4paz n SER 121 Ca 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 4paz n SER 121 Cb 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 4paz n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4paz n ALA 122 N 7.43 0.00 -1.48 7.33 0.00 -1.12 -4.41 120.51 128.25 4paz n ALA 122 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 4paz n ALA 122 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 4paz n ALA 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67