#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pza s ASN 2 N 0.00 3.88 -0.16 -1.84 2.47 -1.26 -1.42 114.94 116.61 1pza s ASN 2 Ca 0.00 -0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.00 1pza s ASN 2 Cb 0.00 -0.73 0.02 0.00 -1.45 0.00 0.00 41.25 39.09 1pza s ASN 2 CO 0.00 0.31 -0.19 -0.63 -3.72 0.00 0.00 177.10 172.87 1pza s ILE 3 N -0.79 1.95 -0.10 -5.21 1.09 -0.61 -4.98 121.20 112.54 1pza s ILE 3 Ca 0.13 -0.89 -0.14 0.00 -1.10 0.00 0.00 60.65 58.65 1pza s ILE 3 Cb -0.11 -1.75 -0.05 0.00 -1.06 0.00 0.00 42.46 39.49 1pza s ILE 3 CO 0.02 0.52 0.33 -0.70 -0.10 0.00 0.00 174.94 175.02 1pza s GLU 4 N 1.13 4.07 -0.08 2.79 2.12 -1.26 -1.13 118.70 126.34 1pza s GLU 4 Ca -0.00 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.57 1pza s GLU 4 Cb -0.14 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1pza s GLU 4 CO -0.08 0.43 -0.17 0.08 -0.54 0.00 0.00 175.26 174.98 1pza s VAL 5 N -0.15 1.48 -0.12 3.70 1.01 -0.14 -4.51 120.40 121.67 1pza s VAL 5 Ca 0.20 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1pza s VAL 5 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1pza s VAL 5 CO 0.08 0.43 0.10 -1.00 0.00 0.00 0.00 175.10 174.71 1pza s HIS 6 N 0.54 3.47 -0.33 5.22 3.76 0.15 -0.62 115.29 127.47 1pza s HIS 6 Ca -0.16 0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 1pza s HIS 6 Cb -0.17 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 1pza s HIS 6 CO 0.06 0.60 0.19 -1.64 -0.85 0.00 0.00 174.74 173.09 1pza s MET 7 N -0.78 3.35 0.09 1.40 -1.94 -0.61 -0.83 119.30 119.98 1pza s MET 7 Ca 0.13 -0.72 0.07 0.00 -1.71 0.00 0.00 55.69 53.46 1pza s MET 7 Cb -0.12 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 1pza s MET 7 CO 0.03 -0.45 -0.17 -0.51 -0.01 0.00 0.00 175.02 173.91 1pza s LEU 8 N 1.65 2.29 0.20 -0.03 1.43 -0.05 -2.39 118.68 121.79 1pza s LEU 8 Ca 0.05 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1pza s LEU 8 Cb -0.17 -0.69 0.15 0.00 0.03 0.00 0.00 46.19 45.50 1pza s LEU 8 CO 0.08 -0.02 1.54 0.78 0.23 0.00 0.00 176.35 178.96 1pza h ASN 9 N 4.15 0.64 -3.58 2.29 2.35 -1.92 0.13 115.58 119.64 1pza h ASN 9 Ca -0.43 -0.31 -0.17 0.00 -0.55 0.00 0.00 56.30 54.84 1pza h ASN 9 Cb 1.19 -0.18 -0.27 0.00 0.05 0.00 0.00 38.32 39.10 1pza h ASN 9 CO 0.40 1.01 -0.42 -0.75 -1.65 0.00 0.00 177.43 176.02 1pza s LYS 10 N -4.15 0.28 0.00 0.81 2.20 -1.26 0.12 119.74 117.74 1pza s LYS 10 Ca -0.08 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1pza s LYS 10 Cb 0.12 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1pza s LYS 10 CO 0.84 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 1pza n GLY 11 N 3.57 4.33 0.34 5.54 0.00 0.19 -4.95 105.19 114.23 1pza n GLY 11 Ca -0.19 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.55 1pza n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pza h ALA 12 N 1.27 1.28 -0.00 4.61 0.00 -2.00 -2.51 119.26 121.91 1pza h ALA 12 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pza h ALA 12 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1pza h ALA 12 CO 0.00 0.32 -0.11 0.39 0.00 0.00 0.00 179.25 179.86 1pza n GLU 13 N -4.58 0.71 0.00 0.00 -0.58 -1.26 -5.04 120.64 109.88 1pza n GLU 13 Ca 0.14 -0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1pza n GLU 13 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1pza n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pza n GLY 14 N 1.27 0.31 3.84 0.62 0.00 -0.95 -5.07 105.19 105.22 1pza n GLY 14 Ca 0.15 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1pza n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pza s ALA 15 N -1.69 3.38 -0.56 4.61 0.00 -1.26 0.58 121.76 126.82 1pza s ALA 15 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 1pza s ALA 15 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.40 1pza s ALA 15 CO 0.00 0.35 0.64 -1.33 0.00 0.00 0.00 175.76 175.43 1pza n MET 16 N -0.05 -1.94 -4.23 0.00 2.81 0.33 -4.85 117.12 109.18 1pza n MET 16 Ca 0.02 1.80 -0.14 0.00 -1.81 0.00 0.00 57.70 57.56 1pza n MET 16 Cb 0.53 -5.33 -0.10 0.00 -0.71 0.00 0.00 33.22 27.60 1pza n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pza s VAL 17 N -2.69 1.12 -0.15 2.03 -7.23 0.46 -3.73 120.40 110.21 1pza s VAL 17 Ca 0.16 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 1pza s VAL 17 Cb -0.04 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1pza s VAL 17 CO 0.78 -0.69 0.05 -0.36 -0.31 0.00 0.00 175.10 174.56 1pza s PHE 18 N -3.08 3.25 -0.17 2.82 0.08 -1.26 -0.87 117.98 118.75 1pza s PHE 18 Ca 0.14 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 1pza s PHE 18 Cb 0.01 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.52 1pza s PHE 18 CO 0.00 0.27 -0.04 -1.21 -0.10 0.00 0.00 175.22 174.15 1pza s GLU 19 N -0.08 1.29 0.71 0.44 2.02 -0.01 -3.09 118.70 119.97 1pza s GLU 19 Ca 0.06 -0.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1pza s GLU 19 Cb -0.12 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.09 1pza s GLU 19 CO 0.01 -0.48 1.07 -1.25 0.02 0.00 0.00 175.26 174.63 1pza s PRO 20 N 1.66 2.79 0.00 0.39 0.04 -1.26 -0.68 135.00 137.94 1pza s PRO 20 Ca -0.00 0.89 0.23 0.00 0.04 0.00 0.00 61.00 62.16 1pza s PRO 20 Cb -0.16 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1pza s PRO 20 CO -0.07 -1.19 1.14 0.00 0.04 0.00 0.00 177.00 176.92 1pza n ALA 21 N -3.18 3.36 -3.91 8.56 0.00 -1.18 -4.77 120.51 119.39 1pza n ALA 21 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 1pza n ALA 21 Cb 0.54 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 1pza n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1pza s TYR 22 N -2.40 2.08 -0.17 0.00 5.04 -1.26 0.06 117.35 120.71 1pza s TYR 22 Ca 0.20 -1.47 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1pza s TYR 22 Cb 0.18 -1.46 0.00 0.00 0.35 0.00 0.00 41.96 41.04 1pza s TYR 22 CO 0.52 -0.71 -0.15 0.42 -1.34 0.00 0.00 175.55 174.29 1pza s ILE 23 N 1.50 2.59 -0.25 3.14 1.09 0.29 -4.98 121.20 124.58 1pza s ILE 23 Ca -0.03 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 58.64 1pza s ILE 23 Cb -0.17 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 1pza s ILE 23 CO -0.07 0.51 0.13 -0.75 -0.10 0.00 0.00 174.94 174.66 1pza s LYS 24 N 0.98 3.89 0.22 2.79 2.47 -1.26 0.30 119.74 129.13 1pza s LYS 24 Ca -0.02 -0.36 -0.02 0.00 -1.56 0.00 0.00 55.97 54.01 1pza s LYS 24 Cb -0.15 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.72 1pza s LYS 24 CO -0.03 -0.06 0.19 0.00 0.16 0.00 0.00 175.35 175.61 1pza s ALA 25 N 1.35 1.05 0.17 3.13 0.00 -0.35 -4.96 121.76 122.16 1pza s ALA 25 Ca 0.06 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.47 1pza s ALA 25 Cb -0.15 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1pza s ALA 25 CO 0.06 -0.63 -0.16 -0.80 0.00 0.00 0.00 175.76 174.22 1pza s ASN 26 N -3.16 2.53 0.15 0.00 -0.87 -1.26 -1.73 114.94 110.59 1pza s ASN 26 Ca 0.37 -0.90 -0.34 0.00 -1.57 0.00 0.00 52.86 50.41 1pza s ASN 26 Cb 0.06 -0.14 -0.15 0.00 -0.02 0.00 0.00 41.25 41.00 1pza s ASN 26 CO 0.13 -0.10 1.46 -2.65 -2.57 0.00 0.00 177.10 173.37 1pza n PRO 27 N 0.12 1.76 0.00 -0.60 -0.02 -1.26 -1.13 135.00 133.87 1pza n PRO 27 Ca -0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1pza n PRO 27 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1pza n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pza n GLY 28 N 2.89 1.13 3.82 -1.23 0.00 0.11 -4.99 105.19 106.92 1pza n GLY 28 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1pza n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pza s ASP 29 N -1.76 5.31 0.11 1.61 1.01 -0.28 -4.70 116.67 117.97 1pza s ASP 29 Ca 0.00 1.52 0.10 0.00 0.71 0.00 0.00 52.55 54.88 1pza s ASP 29 Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1pza s ASP 29 CO 0.00 -1.48 -0.22 0.42 0.21 0.00 0.00 175.17 174.10 1pza s THR 30 N -3.09 2.54 -0.17 -1.27 -4.23 -0.51 -1.60 115.64 107.31 1pza s THR 30 Ca 0.58 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1pza s THR 30 Cb -0.14 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1pza s THR 30 CO 0.55 0.14 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.91 1pza s VAL 31 N -1.06 1.81 -0.29 2.29 1.01 -0.09 -1.57 120.40 122.49 1pza s VAL 31 Ca 0.16 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1pza s VAL 31 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1pza s VAL 31 CO 0.07 0.43 0.16 -0.89 0.00 0.00 0.00 175.10 174.87 1pza s THR 32 N 1.38 4.86 -0.32 3.92 2.01 -0.28 -0.44 115.64 126.77 1pza s THR 32 Ca 0.03 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1pza s THR 32 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1pza s THR 32 CO -0.11 0.17 0.28 -0.36 -0.69 0.00 0.00 174.62 173.91 1pza s PHE 33 N 1.68 3.22 -0.27 4.92 0.08 0.44 -0.97 117.98 127.08 1pza s PHE 33 Ca 0.06 0.00 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 1pza s PHE 33 Cb -0.16 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.80 1pza s PHE 33 CO 0.08 -0.31 -0.02 0.42 -0.10 0.00 0.00 175.22 175.29 1pza s ILE 34 N 1.86 3.11 -1.03 0.64 1.01 0.21 -1.37 121.20 125.62 1pza s ILE 34 Ca 0.09 -1.09 -0.23 0.00 0.00 0.00 0.00 60.65 59.43 1pza s ILE 34 Cb -0.17 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.68 1pza s ILE 34 CO 0.11 0.08 1.58 -2.16 0.00 0.00 0.00 174.94 174.54 1pza s PRO 35 N 1.33 3.43 0.29 2.79 0.04 -1.26 -1.57 135.00 140.05 1pza s PRO 35 Ca -0.01 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 59.96 1pza s PRO 35 Cb -0.18 -5.33 0.45 0.00 0.04 0.00 0.00 34.50 29.49 1pza s PRO 35 CO -0.02 -2.46 1.84 0.28 0.04 0.00 0.00 177.00 176.68 1pza h VAL 36 N 6.73 1.22 -3.02 -0.36 2.07 -1.85 -3.41 116.25 117.62 1pza h VAL 36 Ca 0.21 -0.79 -0.62 0.00 0.82 0.00 0.00 66.70 66.32 1pza h VAL 36 Cb 0.99 0.73 -0.11 0.00 -1.52 0.00 0.00 31.29 31.38 1pza h VAL 36 CO 1.39 0.29 -0.64 -1.81 0.02 0.00 0.00 177.57 176.82 1pza s ASP 37 N -6.61 5.01 0.50 0.57 1.01 -1.13 -5.06 116.67 110.96 1pza s ASP 37 Ca -0.09 -0.26 -0.05 0.00 0.71 0.00 0.00 52.55 52.86 1pza s ASP 37 Cb 0.16 -1.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.89 1pza s ASP 37 CO 0.79 0.12 0.79 -0.54 0.21 0.00 0.00 175.17 176.54 1pza s LYS 38 N -2.73 3.39 0.00 8.23 3.01 -1.26 -4.46 119.74 125.92 1pza s LYS 38 Ca 0.27 0.09 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 1pza s LYS 38 Cb -0.10 -2.38 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 1pza s LYS 38 CO 0.19 -0.29 0.00 0.41 0.51 0.00 0.00 175.35 176.17 1pza n GLY 39 N -2.29 0.89 3.47 -3.33 0.00 -1.26 -4.98 105.19 97.69 1pza n GLY 39 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1pza n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pza s HIS 40 N -2.01 2.41 0.07 1.61 3.76 -1.26 -4.82 115.29 115.04 1pza s HIS 40 Ca 0.00 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1pza s HIS 40 Cb 0.00 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.51 1pza s HIS 40 CO 0.00 0.52 0.09 0.27 -0.85 0.00 0.00 174.74 174.77 1pza n ASN 41 N 0.13 -0.24 -3.84 1.40 6.94 -1.26 -1.13 115.26 117.25 1pza n ASN 41 Ca -0.11 -1.38 -0.13 0.00 -0.02 0.00 0.00 54.58 52.93 1pza n ASN 41 Cb 0.56 0.47 -0.15 0.00 -2.36 0.00 0.00 39.78 38.30 1pza n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1pza s VAL 42 N -2.46 0.01 -0.13 3.53 0.11 -1.26 -4.21 120.40 115.99 1pza s VAL 42 Ca 0.06 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1pza s VAL 42 Cb -0.00 -0.06 0.04 0.00 -1.53 0.00 0.00 36.38 34.83 1pza s VAL 42 CO 0.04 0.04 0.34 -0.70 -3.33 0.00 0.00 175.10 171.50 1pza s GLU 43 N 0.37 0.37 0.32 1.54 2.12 0.31 -1.01 118.70 122.74 1pza s GLU 43 Ca -0.03 0.54 -0.28 0.00 0.36 0.00 0.00 54.97 55.56 1pza s GLU 43 Cb -0.05 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.36 1pza s GLU 43 CO -0.01 -0.08 1.14 -1.54 -0.54 0.00 0.00 175.26 174.22 1pza s SER 44 N 0.56 7.01 -0.02 -1.70 1.04 -0.29 -0.58 113.70 119.71 1pza s SER 44 Ca -0.03 2.32 -0.23 0.00 0.48 0.00 0.00 55.95 58.50 1pza s SER 44 Cb -0.05 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 1pza s SER 44 CO -0.03 -0.33 0.67 -0.63 0.98 0.00 0.00 173.24 173.90 1pza s ILE 45 N -1.26 4.92 0.21 -1.02 1.01 -0.93 -4.82 121.20 119.30 1pza s ILE 45 Ca 0.49 1.40 -0.32 0.00 0.00 0.00 0.00 60.65 62.22 1pza s ILE 45 Cb -0.32 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.02 1pza s ILE 45 CO 0.41 0.35 1.69 1.17 0.00 0.00 0.00 174.94 178.55 1pza n LYS 46 N 3.13 2.66 -1.00 2.79 4.81 -1.26 -1.25 118.16 128.05 1pza n LYS 46 Ca -0.04 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1pza n LYS 46 Cb 0.51 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.77 1pza n LYS 46 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pza n ASP 47 N 3.73 -4.53 -0.84 3.14 8.00 -1.26 -4.86 116.55 119.94 1pza n ASP 47 Ca 0.16 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.67 1pza n ASP 47 Cb 0.34 -2.08 0.20 0.00 -0.02 0.00 0.00 41.12 39.57 1pza n ASP 47 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1pza n MET 48 N -0.90 1.75 -4.17 -1.24 2.81 -0.38 -4.94 117.12 110.05 1pza n MET 48 Ca 0.00 -3.18 -0.16 0.00 -1.81 0.00 0.00 57.70 52.55 1pza n MET 48 Cb 0.26 -1.72 -0.11 0.00 -0.71 0.00 0.00 33.22 30.94 1pza n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1pza s ILE 49 N -3.20 1.01 0.74 2.02 -4.36 -1.25 -1.11 121.20 115.04 1pza s ILE 49 Ca 0.41 -1.48 -0.15 0.00 -0.26 0.00 0.00 60.65 59.16 1pza s ILE 49 Cb 0.38 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.88 1pza s ILE 49 CO -0.02 -0.41 0.83 -2.65 0.24 0.00 0.00 174.94 172.93 1pza n PRO 50 N 0.88 0.36 -2.23 0.37 -0.02 -1.22 -4.89 135.00 128.26 1pza n PRO 50 Ca -0.18 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1pza n PRO 50 Cb 0.56 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1pza n PRO 50 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pza s GLU 51 N -3.27 4.29 0.00 -0.52 0.41 -1.26 -2.09 118.70 116.26 1pza s GLU 51 Ca 0.70 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 1pza s GLU 51 Cb -0.33 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1pza s GLU 51 CO 0.54 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 1pza n GLY 52 N 3.63 0.38 3.83 -1.39 0.00 -1.26 -5.01 105.19 105.37 1pza n GLY 52 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1pza n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pza s ALA 53 N -2.12 3.02 0.08 4.61 0.00 -0.89 -4.97 121.76 121.49 1pza s ALA 53 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1pza s ALA 53 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1pza s ALA 53 CO 0.00 -0.21 0.91 -1.83 0.00 0.00 0.00 175.76 174.63 1pza s GLU 54 N -3.85 4.63 0.46 0.00 4.04 -1.26 -4.94 118.70 117.78 1pza s GLU 54 Ca 0.60 1.35 -0.21 0.00 0.04 0.00 0.00 54.97 56.75 1pza s GLU 54 Cb -0.11 -3.39 -0.08 0.00 0.02 0.00 0.00 34.13 30.58 1pza s GLU 54 CO 0.27 0.19 1.06 0.15 -1.84 0.00 0.00 175.26 175.10 1pza s LYS 55 N 0.13 3.87 0.05 -4.83 1.02 -1.26 -5.04 119.74 113.68 1pza s LYS 55 Ca 0.45 1.45 -0.09 0.00 0.02 0.00 0.00 55.97 57.80 1pza s LYS 55 Cb -0.22 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1pza s LYS 55 CO 0.28 -0.38 0.20 -0.59 -0.92 0.00 0.00 175.35 173.93 1pza s PHE 56 N -1.84 0.07 -0.30 3.18 -0.12 -1.26 -5.02 117.98 112.69 1pza s PHE 56 Ca 0.65 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 57.10 1pza s PHE 56 Cb -0.19 -0.03 0.13 0.00 -0.63 0.00 0.00 43.02 42.30 1pza s PHE 56 CO 0.24 -0.46 0.64 0.21 -0.05 0.00 0.00 175.22 175.80 1pza s LYS 57 N -2.84 0.58 0.57 1.99 2.20 -1.26 -1.14 119.74 119.83 1pza s LYS 57 Ca -0.03 1.43 0.01 0.00 -0.36 0.00 0.00 55.97 57.02 1pza s LYS 57 Cb 0.00 0.85 0.04 0.00 -1.51 0.00 0.00 37.83 37.22 1pza s LYS 57 CO -0.05 -0.22 0.80 -1.54 -0.36 0.00 0.00 175.35 173.97 1pza s SER 58 N 2.89 5.21 0.19 1.43 1.04 -0.18 -5.02 113.70 119.27 1pza s SER 58 Ca -0.04 0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.21 1pza s SER 58 Cb -0.12 -0.85 -0.08 0.00 0.10 0.00 0.00 66.02 65.07 1pza s SER 58 CO -0.19 -1.20 0.66 -0.54 0.98 0.00 0.00 173.24 172.95 1pza s LYS 59 N -4.81 4.17 0.21 4.02 1.02 -1.26 -4.58 119.74 118.51 1pza s LYS 59 Ca 0.58 0.74 -0.32 0.00 0.02 0.00 0.00 55.97 56.99 1pza s LYS 59 Cb -0.10 -2.92 -0.13 0.00 -0.52 0.00 0.00 37.83 34.15 1pza s LYS 59 CO 0.39 0.44 1.53 -0.89 -0.92 0.00 0.00 175.35 175.90 1pza n ILE 60 N 0.82 0.46 -0.94 2.17 5.41 -1.26 -1.95 119.36 124.07 1pza n ILE 60 Ca -0.04 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1pza n ILE 60 Cb 0.51 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1pza n ILE 60 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1pza n ASN 61 N 2.85 -1.01 -4.87 4.38 3.02 -0.28 -4.96 115.26 114.39 1pza n ASN 61 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.35 1pza n ASN 61 Cb 0.31 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 1pza n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1pza s GLU 62 N -0.20 3.76 0.02 3.52 -1.05 -0.82 -4.78 118.70 119.15 1pza s GLU 62 Ca 0.00 0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.68 1pza s GLU 62 Cb 0.00 -2.91 -0.05 0.00 -0.44 0.00 0.00 34.13 30.73 1pza s GLU 62 CO 0.00 0.50 1.20 -0.80 0.95 0.00 0.00 175.26 177.10 1pza s ASN 63 N -1.98 7.07 -0.09 0.83 -0.87 -1.26 -4.45 114.94 114.19 1pza s ASN 63 Ca 0.37 1.94 0.04 0.00 -1.57 0.00 0.00 52.86 53.64 1pza s ASN 63 Cb -0.13 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1pza s ASN 63 CO 0.20 -0.50 -0.21 -0.47 -2.57 0.00 0.00 177.10 173.55 1pza s TYR 64 N 1.46 2.22 -0.30 2.20 5.04 -0.47 -4.97 117.35 122.53 1pza s TYR 64 Ca 0.58 -0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 1pza s TYR 64 Cb -0.28 -1.51 0.03 0.00 0.35 0.00 0.00 41.96 40.55 1pza s TYR 64 CO 0.27 -0.37 0.05 0.08 -1.34 0.00 0.00 175.55 174.24 1pza s VAL 65 N 0.41 3.58 -0.21 3.14 1.01 -1.26 -0.42 120.40 126.65 1pza s VAL 65 Ca -0.17 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 1pza s VAL 65 Cb -0.17 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1pza s VAL 65 CO 0.07 0.01 0.23 -0.22 0.00 0.00 0.00 175.10 175.19 1pza s LEU 66 N 1.41 4.17 -0.19 3.92 2.96 0.42 -4.95 118.68 126.42 1pza s LEU 66 Ca 0.00 0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 1pza s LEU 66 Cb -0.18 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 1pza s LEU 66 CO 0.01 0.07 0.26 -0.89 -1.32 0.00 0.00 176.35 174.48 1pza s THR 67 N 0.82 5.32 -0.23 3.68 2.01 -1.26 -0.91 115.64 125.07 1pza s THR 67 Ca 0.12 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 1pza s THR 67 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1pza s THR 67 CO 0.04 0.36 0.08 0.68 -0.69 0.00 0.00 174.62 175.09 1pza s VAL 68 N 0.72 4.64 -0.03 3.82 -7.23 -0.62 -4.98 120.40 116.71 1pza s VAL 68 Ca 0.14 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.17 1pza s VAL 68 Cb -0.13 -3.14 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 1pza s VAL 68 CO 0.04 0.37 -0.12 0.41 -0.31 0.00 0.00 175.10 175.49 1pza n THR 69 N 4.40 0.90 -2.12 5.32 -1.04 -1.26 0.07 114.28 120.55 1pza n THR 69 Ca -0.16 0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 1pza n THR 69 Cb 0.52 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.25 1pza n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1pza s GLN 70 N -1.97 4.27 0.74 -2.82 -1.52 -1.26 -4.45 119.66 112.65 1pza s GLN 70 Ca -0.10 2.10 -0.14 0.00 -1.95 0.00 0.00 55.36 55.27 1pza s GLN 70 Cb 0.01 -3.47 0.05 0.00 -0.22 0.00 0.00 33.01 29.38 1pza s GLN 70 CO 0.15 -0.58 1.18 -2.14 -0.25 0.00 0.00 175.29 173.66 1pza s PRO 71 N 2.03 2.11 0.00 2.91 0.02 -1.26 -4.82 135.00 135.99 1pza s PRO 71 Ca 0.67 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1pza s PRO 71 Cb -0.36 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1pza s PRO 71 CO 0.29 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1pza n GLY 72 N 0.17 0.73 3.89 0.52 0.00 0.07 -4.79 105.19 105.78 1pza n GLY 72 Ca 0.13 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 1pza n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pza s ALA 73 N -1.29 3.92 -0.09 4.61 0.00 -1.26 -0.21 121.76 127.44 1pza s ALA 73 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1pza s ALA 73 Cb 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1pza s ALA 73 CO 0.00 0.72 -0.08 0.71 0.00 0.00 0.00 175.76 177.11 1pza s TYR 74 N -1.25 1.31 -0.26 0.00 1.51 0.01 -3.39 117.35 115.27 1pza s TYR 74 Ca 0.24 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 1pza s TYR 74 Cb -0.12 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1pza s TYR 74 CO 0.15 -0.40 0.09 -1.17 -1.11 0.00 0.00 175.55 173.11 1pza s LEU 75 N 1.39 3.60 0.19 -1.29 2.96 -0.27 -0.68 118.68 124.57 1pza s LEU 75 Ca -0.02 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1pza s LEU 75 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1pza s LEU 75 CO -0.04 -0.07 0.09 0.68 -1.32 0.00 0.00 176.35 175.69 1pza s VAL 76 N 1.61 4.15 0.25 1.68 -7.23 -0.57 -2.20 120.40 118.09 1pza s VAL 76 Ca 0.06 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1pza s VAL 76 Cb -0.16 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 1pza s VAL 76 CO 0.04 -0.17 0.10 -1.59 -0.31 0.00 0.00 175.10 173.17 1pza s LYS 77 N -3.22 1.38 -0.19 4.82 -2.85 0.25 -2.07 119.74 117.86 1pza s LYS 77 Ca 0.30 -1.74 -0.13 0.00 -1.00 0.00 0.00 55.97 53.40 1pza s LYS 77 Cb -0.09 -0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 35.43 1pza s LYS 77 CO 0.22 -0.30 0.27 0.00 0.10 0.00 0.00 175.35 175.64 1pza h THR 79 N 4.86 0.04 -0.33 0.00 2.02 -1.91 -0.33 112.91 117.26 1pza h THR 79 Ca -0.39 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.84 1pza h THR 79 Cb 1.16 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1pza h THR 79 CO 0.72 0.00 0.05 1.55 0.37 0.00 0.00 175.52 178.21 1pza h PRO 80 N -1.13 0.15 -0.59 6.66 0.13 -1.95 -3.21 132.00 132.06 1pza h PRO 80 Ca -0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1pza h PRO 80 Cb 0.92 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1pza h PRO 80 CO 0.06 0.10 0.00 0.72 -0.23 0.00 0.00 178.00 178.65 1pza n HIS 81 N -5.11 2.02 -0.15 1.56 8.25 -1.19 -4.61 115.22 115.99 1pza n HIS 81 Ca 0.01 -0.72 -0.03 0.00 -0.26 0.00 0.00 57.72 56.72 1pza n HIS 81 Cb 0.15 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 30.84 1pza n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pza h TYR 82 N 4.01 0.05 0.00 4.41 3.20 -1.05 -0.57 116.97 127.02 1pza h TYR 82 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1pza h TYR 82 Cb 1.93 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.25 1pza h TYR 82 CO 1.06 -0.06 0.00 0.00 -1.64 0.00 0.00 178.16 177.52 1pza h ALA 83 N 1.40 1.00 -0.13 1.82 0.00 -1.85 0.88 119.26 122.36 1pza h ALA 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pza h ALA 83 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pza h ALA 83 CO -0.36 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.56 1pza n MET 84 N -3.01 1.94 -0.32 0.00 2.81 -0.25 -4.84 117.12 113.45 1pza n MET 84 Ca -0.02 -1.40 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 1pza n MET 84 Cb 0.13 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1pza n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pza n GLY 85 N 1.25 0.82 3.56 3.03 0.00 0.30 -4.91 105.19 109.23 1pza n GLY 85 Ca 0.17 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1pza n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pza s MET 86 N -0.66 3.42 0.11 1.61 -2.45 -1.05 -4.81 119.30 115.47 1pza s MET 86 Ca 0.00 -0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1pza s MET 86 Cb 0.00 -5.01 -0.04 0.00 1.25 0.00 0.00 34.83 31.03 1pza s MET 86 CO 0.00 -2.26 0.04 0.96 1.05 0.00 0.00 175.02 174.81 1pza s ILE 87 N 5.49 0.15 0.00 10.11 -5.25 -1.26 -2.02 121.20 128.42 1pza s ILE 87 Ca 0.44 -1.89 -0.04 0.00 -0.99 0.00 0.00 60.65 58.18 1pza s ILE 87 Cb -0.03 -1.93 -0.00 0.00 2.95 0.00 0.00 42.46 43.44 1pza s ILE 87 CO -0.02 -0.58 0.07 0.00 -1.79 0.00 0.00 174.94 172.61 1pza s ALA 88 N -4.01 -0.14 -0.18 2.27 0.00 -0.88 -4.43 121.76 114.38 1pza s ALA 88 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1pza s ALA 88 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1pza s ALA 88 CO -0.01 -0.15 -0.08 -1.17 0.00 0.00 0.00 175.76 174.35 1pza s LEU 89 N -1.10 2.81 -0.21 0.00 2.96 0.11 -1.51 118.68 121.75 1pza s LEU 89 Ca -0.12 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1pza s LEU 89 Cb -0.07 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1pza s LEU 89 CO 0.00 0.06 0.03 -0.63 -1.32 0.00 0.00 176.35 174.49 1pza s ILE 90 N 1.01 4.25 -0.31 6.68 1.01 0.14 -0.55 121.20 133.43 1pza s ILE 90 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1pza s ILE 90 Cb -0.15 -2.94 0.05 0.00 0.01 0.00 0.00 42.46 39.43 1pza s ILE 90 CO -0.01 0.41 0.03 0.00 0.00 0.00 0.00 174.94 175.38 1pza s ALA 91 N 0.99 2.89 -0.31 9.38 0.00 0.15 -0.81 121.76 134.04 1pza s ALA 91 Ca 0.03 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.13 1pza s ALA 91 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1pza s ALA 91 CO 0.02 -1.28 0.19 0.08 0.00 0.00 0.00 175.76 174.77 1pza s VAL 92 N 1.30 5.03 0.02 0.00 1.01 0.71 -1.21 120.40 127.26 1pza s VAL 92 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1pza s VAL 92 Cb -0.20 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1pza s VAL 92 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1pza n GLY 93 N 5.04 -2.19 3.86 4.51 0.00 -0.71 -0.75 105.19 114.96 1pza n GLY 93 Ca -0.14 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 1pza n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pza s ASP 94 N -2.80 6.65 -1.06 1.61 1.01 -1.26 -4.52 116.67 116.30 1pza s ASP 94 Ca 0.00 1.17 -0.21 0.00 0.71 0.00 0.00 52.55 54.22 1pza s ASP 94 Cb 0.00 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1pza s ASP 94 CO 0.00 -0.27 0.66 -0.24 0.21 0.00 0.00 175.17 175.53 1pza n SER 95 N -0.75 -4.53 -4.68 0.27 2.88 -1.26 -4.74 113.62 100.81 1pza n SER 95 Ca 0.03 -1.14 -0.53 0.00 -1.33 0.00 0.00 58.87 55.90 1pza n SER 95 Cb 0.53 -1.81 -0.06 0.00 -0.75 0.00 0.00 64.21 62.13 1pza n SER 95 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pza n PRO 96 N -4.05 1.61 0.27 -1.46 -0.04 -1.26 -4.85 135.00 125.23 1pza n PRO 96 Ca -0.19 0.59 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1pza n PRO 96 Cb 0.61 -2.34 0.77 0.00 -0.04 0.00 0.00 33.50 32.50 1pza n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pza h ALA 97 N 7.56 1.25 -0.61 0.55 0.00 -1.93 -3.04 119.26 123.04 1pza h ALA 97 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pza h ALA 97 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pza h ALA 97 CO 0.93 0.12 0.00 0.27 0.00 0.00 0.00 179.25 180.57 1pza n ASN 98 N -3.57 3.69 -0.10 0.00 6.94 -1.26 -4.61 115.26 116.35 1pza n ASN 98 Ca -0.02 -1.99 -0.09 0.00 -0.02 0.00 0.00 54.58 52.46 1pza n ASN 98 Cb 0.22 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.22 1pza n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1pza h LEU 99 N 3.90 0.40 -0.92 -4.53 5.85 -1.89 -1.39 115.31 116.73 1pza h LEU 99 Ca 0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1pza h LEU 99 Cb 0.94 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1pza h LEU 99 CO 0.00 0.39 0.11 0.44 -0.34 0.00 0.00 178.44 179.04 1pza h ASP 100 N 0.39 0.85 -0.24 1.25 3.32 -1.84 -1.24 116.42 118.91 1pza h ASP 100 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pza h ASP 100 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1pza h ASP 100 CO -0.02 0.85 0.12 -0.61 -1.72 0.00 0.00 179.24 177.87 1pza h GLN 101 N 0.86 0.34 -0.53 3.56 -0.00 -1.80 -1.90 115.11 115.63 1pza h GLN 101 Ca 0.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1pza h GLN 101 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1pza h GLN 101 CO 0.00 0.32 0.28 0.82 0.00 0.00 0.00 178.83 180.26 1pza h ILE 102 N 0.27 1.18 -0.88 2.39 2.04 -0.87 -1.43 117.51 120.21 1pza h ILE 102 Ca 0.08 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1pza h ILE 102 Cb 0.09 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1pza h ILE 102 CO -0.01 0.20 0.57 0.58 0.00 0.00 0.00 178.15 179.49 1pza h VAL 103 N 0.71 1.23 0.00 1.67 2.07 -1.07 -2.79 116.25 118.07 1pza h VAL 103 Ca 0.19 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1pza h VAL 103 Cb 0.06 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1pza h VAL 103 CO -0.03 0.23 -0.45 0.28 0.02 0.00 0.00 177.57 177.62 1pza h SER 104 N 1.20 0.00 -4.01 0.57 0.02 -1.06 -3.48 113.55 106.80 1pza h SER 104 Ca 0.32 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.72 1pza h SER 104 Cb -0.12 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.59 1pza h SER 104 CO -0.07 0.45 0.34 0.00 -1.14 0.00 0.00 176.83 176.41 1pza n ALA 105 N -2.24 0.47 -2.16 3.77 0.00 -0.56 -4.94 120.51 114.85 1pza n ALA 105 Ca 0.01 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1pza n ALA 105 Cb 0.66 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1pza n ALA 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pza s LYS 106 N -3.49 4.32 0.03 0.00 2.20 -1.26 -4.98 119.74 116.57 1pza s LYS 106 Ca 0.78 2.08 -0.28 0.00 -0.36 0.00 0.00 55.97 58.19 1pza s LYS 106 Cb -0.35 -3.24 0.09 0.00 -1.51 0.00 0.00 37.83 32.82 1pza s LYS 106 CO 0.45 -0.43 0.84 -1.59 -0.36 0.00 0.00 175.35 174.27 1pza s LYS 107 N 1.02 0.93 0.49 4.03 -2.85 -1.26 -5.15 119.74 116.94 1pza s LYS 107 Ca 0.64 -0.36 -0.22 0.00 -1.00 0.00 0.00 55.97 55.03 1pza s LYS 107 Cb -0.37 0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 35.74 1pza s LYS 107 CO 0.31 -0.41 1.07 -2.30 0.10 0.00 0.00 175.35 174.11 1pza n PRO 108 N -0.28 1.34 -0.31 1.78 -0.02 -1.26 -4.72 135.00 131.52 1pza n PRO 108 Ca -0.10 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1pza n PRO 108 Cb 0.62 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 32.09 1pza n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pza h LYS 109 N 1.30 0.88 -0.65 -0.52 3.64 -1.98 0.28 116.57 119.52 1pza h LYS 109 Ca -0.47 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.80 1pza h LYS 109 Cb 1.34 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1pza h LYS 109 CO 0.55 0.58 0.17 0.97 -2.27 0.00 0.00 179.45 179.45 1pza h ILE 110 N 0.90 1.26 -0.15 2.00 6.09 -1.90 0.54 117.51 126.25 1pza h ILE 110 Ca 0.41 -0.92 -0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1pza h ILE 110 Cb 0.31 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 38.21 1pza h ILE 110 CO -0.22 0.35 0.08 0.58 -3.07 0.00 0.00 178.15 175.86 1pza h VAL 111 N 0.95 1.11 -0.33 2.19 2.07 -1.58 -0.18 116.25 120.47 1pza h VAL 111 Ca 0.20 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1pza h VAL 111 Cb 0.35 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1pza h VAL 111 CO 0.00 0.10 0.06 -0.61 0.02 0.00 0.00 177.57 177.14 1pza h GLN 112 N 0.12 0.17 -0.74 1.57 5.75 0.04 0.36 115.11 122.39 1pza h GLN 112 Ca 0.05 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1pza h GLN 112 Cb 0.09 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1pza h GLN 112 CO -0.01 0.11 0.38 0.93 -2.65 0.00 0.00 178.83 177.60 1pza h GLU 113 N 0.18 1.05 -0.47 1.69 5.08 0.41 -1.90 114.58 120.62 1pza h GLU 113 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1pza h GLU 113 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1pza h GLU 113 CO -0.21 0.80 -0.15 0.00 -1.00 0.00 0.00 179.01 178.45 1pza h ARG 114 N 1.03 0.89 -0.46 2.33 3.08 -0.26 -2.90 114.38 118.10 1pza h ARG 114 Ca 0.26 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pza h ARG 114 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1pza h ARG 114 CO -0.04 0.98 0.28 1.25 -1.07 0.00 0.00 179.97 181.37 1pza h LEU 115 N 0.79 0.47 -1.10 3.04 5.85 -0.71 -1.05 115.31 122.61 1pza h LEU 115 Ca 0.12 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1pza h LEU 115 Cb 0.68 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1pza h LEU 115 CO 0.05 0.34 0.50 -0.33 -0.34 0.00 0.00 178.44 178.65 1pza h GLU 116 N 0.57 1.12 -0.12 1.25 5.08 -1.25 -2.06 114.58 119.16 1pza h GLU 116 Ca 0.18 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1pza h GLU 116 Cb -0.02 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.00 1pza h GLU 116 CO -0.07 0.78 -0.53 -0.22 -1.00 0.00 0.00 179.01 177.97 1pza h LYS 117 N 1.13 0.57 -1.00 2.33 3.64 -1.29 -2.93 116.57 119.03 1pza h LYS 117 Ca 0.30 -0.46 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1pza h LYS 117 Cb -0.05 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1pza h LYS 117 CO -0.06 1.08 0.66 -0.39 -2.27 0.00 0.00 179.45 178.47 1pza h VAL 118 N 0.20 1.19 0.00 2.00 -1.51 -0.88 -0.46 116.25 116.79 1pza h VAL 118 Ca -0.03 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 1pza h VAL 118 Cb 1.17 -0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1pza h VAL 118 CO 0.11 0.23 -0.04 0.40 -1.23 0.00 0.00 177.57 177.04 1pza h ILE 119 N 1.29 0.17 -0.00 7.19 2.04 -1.42 -3.47 117.51 123.30 1pza h ILE 119 Ca 0.39 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1pza h ILE 119 Cb -0.03 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pza h ILE 119 CO -0.12 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.08