#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaz s PHE 2 N 0.00 2.94 -0.21 1.12 0.40 -0.56 -3.91 117.98 117.76 1aaz s PHE 2 Ca 0.00 1.49 0.01 0.00 -0.60 0.00 0.00 56.93 57.82 1aaz s PHE 2 Cb 0.00 -2.98 0.03 0.00 0.51 0.00 0.00 43.02 40.58 1aaz s PHE 2 CO 0.00 -1.31 -0.15 0.15 0.70 0.00 0.00 175.22 174.61 1aaz s LYS 3 N -4.55 2.84 -0.20 0.44 -0.14 -0.38 -0.89 119.74 116.86 1aaz s LYS 3 Ca 0.61 -0.94 -0.03 0.00 -1.36 0.00 0.00 55.97 54.25 1aaz s LYS 3 Cb -0.16 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 1aaz s LYS 3 CO 0.47 -0.31 -0.06 0.08 -0.76 0.00 0.00 175.35 174.77 1aaz s VAL 4 N 1.27 3.34 -0.11 3.17 1.01 -0.07 -0.52 120.40 128.49 1aaz s VAL 4 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1aaz s VAL 4 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1aaz s VAL 4 CO -0.09 0.45 0.12 -0.31 0.00 0.00 0.00 175.10 175.27 1aaz s TYR 5 N 1.21 3.54 -1.63 5.22 1.51 0.70 -0.03 117.35 127.87 1aaz s TYR 5 Ca 0.02 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1aaz s TYR 5 Cb -0.14 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1aaz s TYR 5 CO -0.02 0.70 0.00 0.41 -1.11 0.00 0.00 175.55 175.53 1aaz n GLY 6 N 1.91 -1.02 3.85 0.71 0.00 -0.50 -1.29 105.19 108.85 1aaz n GLY 6 Ca -0.19 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1aaz n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aaz s TYR 7 N -3.00 3.36 -0.45 1.61 2.02 -1.26 -2.48 117.35 117.15 1aaz s TYR 7 Ca 0.00 0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.63 1aaz s TYR 7 Cb 0.00 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1aaz s TYR 7 CO 0.00 0.56 0.85 0.34 -1.57 0.00 0.00 175.55 175.73 1aaz s ASP 8 N -2.41 6.46 0.27 2.29 -1.08 -1.26 -4.80 116.67 116.13 1aaz s ASP 8 Ca 0.32 0.03 0.15 0.00 -0.52 0.00 0.00 52.55 52.53 1aaz s ASP 8 Cb -0.13 -2.42 0.84 0.00 -1.46 0.00 0.00 42.92 39.76 1aaz s ASP 8 CO 0.25 -0.96 1.43 -1.20 0.52 0.00 0.00 175.17 175.20 1aaz n SER 9 N 6.90 0.40 0.24 -0.34 7.64 -1.19 -0.35 113.62 126.92 1aaz n SER 9 Ca 0.04 0.64 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1aaz n SER 9 Cb 0.48 -0.67 0.55 0.00 -1.01 0.00 0.00 64.21 63.57 1aaz n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1aaz h ASN 10 N 0.00 0.00 0.00 6.43 2.35 -1.99 -3.19 115.58 119.18 1aaz h ASN 10 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1aaz h ASN 10 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1aaz h ASN 10 CO 0.00 0.15 -2.17 -0.38 -1.65 0.00 0.00 177.43 173.38 1aaz n ILE 11 N -3.32 1.15 -3.68 2.81 5.41 0.53 -4.99 119.36 117.27 1aaz n ILE 11 Ca 0.00 -0.30 -0.16 0.00 1.00 0.00 0.00 62.75 63.28 1aaz n ILE 11 Cb 0.37 -1.74 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 1aaz n ILE 11 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1aaz s HIS 12 N -2.38 -0.19 0.17 1.39 5.04 -0.19 -4.92 115.29 114.21 1aaz s HIS 12 Ca -0.29 0.61 -0.33 0.00 -1.54 0.00 0.00 55.06 53.51 1aaz s HIS 12 Cb 0.11 -0.23 -0.13 0.00 0.04 0.00 0.00 32.58 32.37 1aaz s HIS 12 CO 0.38 -0.26 1.64 1.17 -2.34 0.00 0.00 174.74 175.32 1aaz n LYS 13 N 5.19 2.39 -3.27 2.88 4.81 -1.21 -3.20 118.16 125.74 1aaz n LYS 13 Ca -0.07 0.86 -0.11 0.00 -0.87 0.00 0.00 58.31 58.12 1aaz n LYS 13 Cb 0.50 -2.66 -0.05 0.00 0.02 0.00 0.00 35.03 32.84 1aaz n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aaz h VAL 15 N 4.99 0.82 0.00 0.00 -1.51 -1.96 -2.57 116.25 116.02 1aaz h VAL 15 Ca 0.06 -1.32 -0.10 0.00 -1.23 0.00 0.00 66.70 64.11 1aaz h VAL 15 Cb 1.09 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 1aaz h VAL 15 CO 0.16 0.31 -0.49 1.88 -1.23 0.00 0.00 177.57 178.21 1aaz h TYR 16 N 0.00 0.00 -0.43 5.19 0.05 -1.96 -0.46 116.97 119.36 1aaz h TYR 16 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1aaz h TYR 16 Cb 0.79 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 1aaz h TYR 16 CO 0.00 0.49 -0.09 0.00 -1.05 0.00 0.00 178.16 177.51 1aaz h ASP 18 N 0.65 0.62 -0.11 0.00 3.32 -1.29 -2.22 116.42 117.39 1aaz h ASP 18 Ca 0.11 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1aaz h ASP 18 Cb 0.62 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1aaz h ASP 18 CO 0.04 1.05 0.05 0.78 -1.72 0.00 0.00 179.24 179.45 1aaz h ASN 19 N 0.42 0.08 -0.98 6.45 2.35 -1.06 -0.23 115.58 122.62 1aaz h ASN 19 Ca 0.01 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1aaz h ASN 19 Cb 1.11 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 39.38 1aaz h ASN 19 CO 0.11 0.07 0.62 0.00 -1.65 0.00 0.00 177.43 176.57 1aaz h ALA 20 N 1.05 1.58 -0.09 -0.83 0.00 -1.08 0.25 119.26 120.13 1aaz h ALA 20 Ca 0.04 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1aaz h ALA 20 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1aaz h ALA 20 CO -0.03 0.18 -0.70 0.87 0.00 0.00 0.00 179.25 179.57 1aaz h LYS 21 N 0.94 0.42 -0.33 0.00 1.57 -0.83 -2.89 116.57 115.47 1aaz h LYS 21 Ca 0.48 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1aaz h LYS 21 Cb 0.52 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1aaz h LYS 21 CO -0.25 0.96 0.01 0.00 -0.57 0.00 0.00 179.45 179.60 1aaz h ARG 22 N 0.29 0.57 -0.30 3.15 3.08 0.22 -2.02 114.38 119.38 1aaz h ARG 22 Ca -0.03 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1aaz h ARG 22 Cb 1.27 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1aaz h ARG 22 CO 0.12 0.69 0.15 1.25 -1.07 0.00 0.00 179.97 181.12 1aaz h LEU 23 N 0.38 0.23 -1.33 3.04 6.46 -1.03 -0.23 115.31 122.83 1aaz h LEU 23 Ca 0.09 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1aaz h LEU 23 Cb 0.43 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1aaz h LEU 23 CO 0.02 0.17 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.60 1aaz h LEU 24 N 0.32 0.00 -0.57 2.25 3.38 -1.45 -1.36 115.31 117.88 1aaz h LEU 24 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1aaz h LEU 24 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1aaz h LEU 24 CO -0.08 0.34 -0.51 0.74 0.09 0.00 0.00 178.44 179.01 1aaz h THR 25 N 0.00 1.32 -0.65 0.22 2.02 -0.55 -0.26 112.91 115.01 1aaz h THR 25 Ca -0.00 -1.75 -0.06 0.00 0.77 0.00 0.00 66.41 65.37 1aaz h THR 25 Cb 0.60 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 1aaz h THR 25 CO 0.04 0.54 0.18 0.58 0.37 0.00 0.00 175.52 177.23 1aaz h VAL 26 N 0.42 1.25 -0.04 3.16 2.07 -0.30 -2.55 116.25 120.27 1aaz h VAL 26 Ca 0.02 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1aaz h VAL 26 Cb 1.04 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1aaz h VAL 26 CO 0.10 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.32 1aaz n LYS 27 N -4.32 1.32 -4.06 1.57 4.76 -0.59 -4.89 118.16 111.95 1aaz n LYS 27 Ca 0.04 -0.48 -0.29 0.00 -2.87 0.00 0.00 58.31 54.71 1aaz n LYS 27 Cb 0.24 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 1aaz n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1aaz n LYS 28 N -0.38 -3.25 -3.57 1.97 4.76 -0.69 -4.93 118.16 112.08 1aaz n LYS 28 Ca 0.19 0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 55.61 1aaz n LYS 28 Cb 0.21 -4.72 -0.11 0.00 -1.84 0.00 0.00 35.03 28.58 1aaz n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1aaz s GLN 29 N -6.72 2.83 0.35 1.97 -1.52 -0.19 -5.04 119.66 111.33 1aaz s GLN 29 Ca 0.27 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.28 1aaz s GLN 29 Cb -0.15 -3.79 -0.11 0.00 -0.22 0.00 0.00 33.01 28.74 1aaz s GLN 29 CO 0.90 -0.75 1.51 -1.25 -0.25 0.00 0.00 175.29 175.46 1aaz s PRO 30 N 1.57 4.12 0.07 2.91 0.04 -1.26 -4.57 135.00 137.88 1aaz s PRO 30 Ca 0.02 2.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 1aaz s PRO 30 Cb -0.20 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1aaz s PRO 30 CO 0.07 -0.55 0.24 -0.59 0.04 0.00 0.00 177.00 176.21 1aaz s PHE 31 N -0.81 0.03 -0.16 0.56 -0.71 -1.26 -1.50 117.98 114.12 1aaz s PHE 31 Ca 0.55 -0.31 -0.02 0.00 -1.04 0.00 0.00 56.93 56.11 1aaz s PHE 31 Cb -0.47 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 1aaz s PHE 31 CO 0.59 -0.52 -0.09 -2.00 -1.34 0.00 0.00 175.22 171.85 1aaz s GLU 32 N -3.17 3.41 -0.21 1.99 2.12 -0.07 -4.89 118.70 117.88 1aaz s GLU 32 Ca -0.00 -0.65 -0.14 0.00 0.36 0.00 0.00 54.97 54.53 1aaz s GLU 32 Cb 0.02 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1aaz s GLU 32 CO -0.07 0.08 0.32 0.12 -0.54 0.00 0.00 175.26 175.17 1aaz s PHE 33 N 0.72 3.36 -0.26 5.30 5.36 -1.26 -0.89 117.98 130.31 1aaz s PHE 33 Ca -0.04 0.50 -0.03 0.00 -0.96 0.00 0.00 56.93 56.39 1aaz s PHE 33 Cb -0.15 -2.44 0.01 0.00 -0.34 0.00 0.00 43.02 40.11 1aaz s PHE 33 CO 0.02 0.03 -0.02 0.42 -1.46 0.00 0.00 175.22 174.21 1aaz s ILE 34 N 1.18 3.27 -0.38 3.12 1.01 0.95 -4.97 121.20 125.39 1aaz s ILE 34 Ca 0.15 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1aaz s ILE 34 Cb -0.14 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1aaz s ILE 34 CO 0.07 0.21 0.64 0.21 0.00 0.00 0.00 174.94 176.06 1aaz s ASN 35 N 1.40 6.40 0.00 3.58 3.84 -1.26 -1.41 114.94 127.49 1aaz s ASN 35 Ca 0.02 0.02 0.30 0.00 0.21 0.00 0.00 52.86 53.41 1aaz s ASN 35 Cb -0.16 -2.33 1.56 0.00 -0.55 0.00 0.00 41.25 39.78 1aaz s ASN 35 CO -0.02 -0.65 2.05 2.30 -2.79 0.00 0.00 177.10 177.99 1aaz n ILE 36 N 5.67 0.00 -3.24 -5.21 -5.35 -1.04 -4.28 119.36 105.91 1aaz n ILE 36 Ca -0.01 -0.04 -0.22 0.00 -0.27 0.00 0.00 62.75 62.20 1aaz n ILE 36 Cb 0.48 -0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 38.03 1aaz n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1aaz n MET 37 N -0.90 0.32 0.00 6.28 1.56 -1.26 -1.13 117.12 121.98 1aaz n MET 37 Ca 0.19 -2.94 0.05 0.00 -0.27 0.00 0.00 57.70 54.74 1aaz n MET 37 Cb 0.21 -1.58 0.26 0.00 2.15 0.00 0.00 33.22 34.26 1aaz n MET 37 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1aaz n PRO 38 N 2.67 0.08 -3.70 2.12 -0.04 -1.25 -4.67 135.00 130.21 1aaz n PRO 38 Ca 0.26 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1aaz n PRO 38 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 1aaz n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1aaz s GLU 39 N -2.79 0.66 -0.02 0.54 2.02 -1.26 -5.07 118.70 112.79 1aaz s GLU 39 Ca 0.08 0.34 -0.36 0.00 0.02 0.00 0.00 54.97 55.05 1aaz s GLU 39 Cb 0.07 0.31 -0.15 0.00 0.10 0.00 0.00 34.13 34.47 1aaz s GLU 39 CO 0.19 -0.14 1.61 1.17 0.02 0.00 0.00 175.26 178.11 1aaz n LYS 40 N 2.07 1.61 -1.00 1.61 0.00 -1.26 -0.74 118.16 120.45 1aaz n LYS 40 Ca -0.17 0.59 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1aaz n LYS 40 Cb 0.57 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 33.28 1aaz n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aaz n GLY 41 N 3.55 0.63 2.88 3.14 0.00 -1.26 -5.02 105.19 109.11 1aaz n GLY 41 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1aaz n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aaz s VAL 42 N -2.52 0.91 0.18 1.61 1.01 0.08 -5.12 120.40 116.54 1aaz s VAL 42 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1aaz s VAL 42 Cb 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 1aaz s VAL 42 CO 0.00 0.31 0.50 -0.36 0.00 0.00 0.00 175.10 175.55 1aaz s PHE 43 N 1.75 3.49 -0.83 5.22 0.08 -1.26 -3.82 117.98 122.61 1aaz s PHE 43 Ca 0.04 0.85 -0.22 0.00 0.12 0.00 0.00 56.93 57.72 1aaz s PHE 43 Cb -0.13 -2.23 0.08 0.00 -0.57 0.00 0.00 43.02 40.18 1aaz s PHE 43 CO -0.08 0.37 1.15 0.34 -0.10 0.00 0.00 175.22 176.90 1aaz s ASP 44 N -2.15 6.40 0.31 1.36 -1.08 -0.28 -4.89 116.67 116.34 1aaz s ASP 44 Ca 0.42 -1.39 0.06 0.00 -0.52 0.00 0.00 52.55 51.12 1aaz s ASP 44 Cb -0.13 -2.46 0.74 0.00 -1.46 0.00 0.00 42.92 39.62 1aaz s ASP 44 CO 0.21 -1.37 1.80 0.44 0.52 0.00 0.00 175.17 176.77 1aaz h ASP 45 N 9.41 0.78 -0.38 -0.34 3.32 -1.94 -1.97 116.42 125.30 1aaz h ASP 45 Ca -0.03 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1aaz h ASP 45 Cb 1.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1aaz h ASP 45 CO 1.22 0.31 0.12 -0.08 -1.72 0.00 0.00 179.24 179.09 1aaz h GLU 46 N 0.78 0.59 0.00 3.56 4.81 -1.99 -1.97 114.58 120.35 1aaz h GLU 46 Ca 0.55 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.48 1aaz h GLU 46 Cb 0.84 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1aaz h GLU 46 CO -0.34 0.59 -0.82 0.87 -0.73 0.00 0.00 179.01 178.58 1aaz h LYS 47 N 0.47 0.00 -0.29 1.92 1.79 -1.83 -1.82 116.57 116.81 1aaz h LYS 47 Ca 0.12 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1aaz h LYS 47 Cb 0.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1aaz h LYS 47 CO -0.00 0.82 -0.33 0.82 -1.08 0.00 0.00 179.45 179.68 1aaz h ILE 48 N 0.00 1.29 -0.69 1.86 2.04 -1.39 -0.88 117.51 119.73 1aaz h ILE 48 Ca -0.01 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.31 1aaz h ILE 48 Cb 1.56 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 1aaz h ILE 48 CO 0.11 0.47 0.14 0.00 0.00 0.00 0.00 178.15 178.87 1aaz h ALA 49 N 1.10 0.91 0.08 1.87 0.00 -1.20 -0.56 119.26 121.46 1aaz h ALA 49 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1aaz h ALA 49 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1aaz h ALA 49 CO 0.07 0.65 -0.11 1.49 0.00 0.00 0.00 179.25 181.36 1aaz h GLU 50 N 1.05 -0.22 0.46 0.00 4.81 -1.15 -1.82 114.58 117.71 1aaz h GLU 50 Ca 0.21 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1aaz h GLU 50 Cb 0.40 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1aaz h GLU 50 CO 0.01 -0.14 -0.22 1.25 -0.73 0.00 0.00 179.01 179.17 1aaz h LEU 51 N -0.23 -0.52 -1.08 1.64 5.85 -0.91 -1.74 115.31 118.32 1aaz h LEU 51 Ca 0.01 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1aaz h LEU 51 Cb 0.23 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1aaz h LEU 51 CO -0.05 -0.35 0.62 -0.07 -0.34 0.00 0.00 178.44 178.25 1aaz h LEU 52 N -0.65 0.96 -0.01 2.25 3.38 -1.06 0.09 115.31 120.27 1aaz h LEU 52 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aaz h LEU 52 Cb 0.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aaz h LEU 52 CO 0.10 0.61 -0.01 0.74 0.09 0.00 0.00 178.44 179.97 1aaz h THR 53 N 1.09 0.96 -0.78 0.22 2.02 -1.16 0.41 112.91 115.67 1aaz h THR 53 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1aaz h THR 53 Cb 0.21 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1aaz h THR 53 CO -0.16 0.00 0.39 0.11 0.37 0.00 0.00 175.52 176.23 1aaz h LYS 54 N -0.02 1.10 0.00 6.66 1.57 -0.12 -0.57 116.57 125.20 1aaz h LYS 54 Ca 0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1aaz h LYS 54 Cb 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1aaz h LYS 54 CO -0.02 0.84 0.00 1.28 -0.57 0.00 0.00 179.45 180.97 1aaz n LEU 55 N -4.33 0.00 -2.40 2.94 4.77 -0.26 -4.92 117.00 112.80 1aaz n LEU 55 Ca 0.08 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.32 1aaz n LEU 55 Cb 0.13 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1aaz n LEU 55 CO 0.39 -0.02 0.03 0.61 -1.33 0.00 0.00 177.39 177.07 1aaz n GLY 56 N 1.31 -0.22 3.49 -0.72 0.00 0.12 -5.00 105.19 104.17 1aaz n GLY 56 Ca 0.09 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1aaz n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aaz s ARG 57 N -5.49 2.49 0.15 1.61 0.52 0.36 -4.99 118.95 113.61 1aaz s ARG 57 Ca 0.26 -0.71 0.25 0.00 -0.52 0.00 0.00 55.73 55.01 1aaz s ARG 57 Cb -0.11 -2.39 0.58 0.00 0.52 0.00 0.00 34.95 33.54 1aaz s ARG 57 CO 0.32 0.62 1.54 -3.47 0.02 0.00 0.00 175.30 174.33 1aaz n ASP 58 N 2.19 0.73 -3.82 0.23 2.03 -1.26 -4.45 116.55 112.19 1aaz n ASP 58 Ca -0.17 0.32 -0.11 0.00 0.52 0.00 0.00 54.79 55.34 1aaz n ASP 58 Cb 0.52 -0.27 -0.09 0.00 -0.72 0.00 0.00 41.12 40.56 1aaz n ASP 58 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1aaz s THR 59 N -3.13 0.09 -0.14 5.18 -4.23 -1.26 -5.00 115.64 107.15 1aaz s THR 59 Ca 0.09 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 60.02 1aaz s THR 59 Cb 0.13 -0.72 0.04 0.00 1.34 0.00 0.00 72.50 73.30 1aaz s THR 59 CO 0.66 -0.40 1.43 -0.61 -0.54 0.00 0.00 174.62 175.16 1aaz h GLN 60 N 3.74 0.00 -6.53 3.99 4.15 -1.97 -3.43 115.11 115.05 1aaz h GLN 60 Ca -0.31 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.58 1aaz h GLN 60 Cb 1.19 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.92 1aaz h GLN 60 CO 0.44 0.54 1.05 -1.50 -1.93 0.00 0.00 178.83 177.43 1aaz s ILE 61 N -2.94 2.56 0.00 2.39 1.10 -1.26 -0.79 121.20 122.26 1aaz s ILE 61 Ca 0.04 0.18 0.00 0.00 -0.51 0.00 0.00 60.65 60.35 1aaz s ILE 61 Cb 0.08 -3.11 0.00 0.00 0.15 0.00 0.00 42.46 39.57 1aaz s ILE 61 CO 0.75 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.19 1aaz n GLY 62 N 4.09 2.57 3.71 1.50 0.00 -1.26 -5.04 105.19 110.76 1aaz n GLY 62 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1aaz n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aaz n LEU 63 N 0.00 3.76 -4.72 0.99 4.32 0.03 -5.00 117.00 116.37 1aaz n LEU 63 Ca 0.00 1.11 -0.34 0.00 -0.02 0.00 0.00 56.01 56.76 1aaz n LEU 63 Cb 0.00 -1.52 -0.08 0.00 -1.62 0.00 0.00 43.42 40.19 1aaz n LEU 63 CO 0.00 -0.06 -0.28 0.42 -1.22 0.00 0.00 177.39 176.25 1aaz s THR 64 N 0.48 4.49 0.21 -5.08 -4.23 -1.26 -5.11 115.64 105.13 1aaz s THR 64 Ca 0.71 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 61.00 1aaz s THR 64 Cb -0.57 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1aaz s THR 64 CO 0.42 0.50 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.78 1aaz s MET 65 N -1.25 1.74 0.75 3.99 -1.94 -1.26 -4.46 119.30 116.86 1aaz s MET 65 Ca 0.17 -1.49 -0.11 0.00 -1.71 0.00 0.00 55.69 52.55 1aaz s MET 65 Cb -0.12 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 34.83 1aaz s MET 65 CO 0.07 0.40 1.08 -1.25 -0.01 0.00 0.00 175.02 175.30 1aaz s PRO 66 N -2.91 2.50 -0.11 2.03 0.04 -1.26 -4.75 135.00 130.54 1aaz s PRO 66 Ca 0.24 0.89 0.02 0.00 0.04 0.00 0.00 61.00 62.19 1aaz s PRO 66 Cb -0.08 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1aaz s PRO 66 CO 0.13 -1.39 -0.17 -0.65 0.04 0.00 0.00 177.00 174.96 1aaz s GLN 67 N -5.05 2.38 -0.03 4.56 -1.52 -0.41 -4.25 119.66 115.34 1aaz s GLN 67 Ca 0.60 -0.62 0.07 0.00 -1.95 0.00 0.00 55.36 53.45 1aaz s GLN 67 Cb -0.15 -1.98 -0.02 0.00 -0.22 0.00 0.00 33.01 30.64 1aaz s GLN 67 CO 0.55 -0.03 -0.25 0.08 -0.25 0.00 0.00 175.29 175.39 1aaz s VAL 68 N 0.90 2.14 -0.03 1.09 1.01 0.51 -0.21 120.40 125.80 1aaz s VAL 68 Ca -0.08 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1aaz s VAL 68 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1aaz s VAL 68 CO -0.01 0.58 -0.24 -0.36 0.00 0.00 0.00 175.10 175.07 1aaz s PHE 69 N -0.49 2.24 0.84 5.22 0.40 0.33 -1.06 117.98 125.45 1aaz s PHE 69 Ca 0.06 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1aaz s PHE 69 Cb -0.11 -1.46 0.10 0.00 0.51 0.00 0.00 43.02 42.06 1aaz s PHE 69 CO 0.00 -0.11 1.12 0.00 0.70 0.00 0.00 175.22 176.93 1aaz s ALA 70 N -0.38 1.86 0.55 5.36 0.00 0.21 -1.25 121.76 128.11 1aaz s ALA 70 Ca 0.04 0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.67 1aaz s ALA 70 Cb -0.11 -3.36 1.56 0.00 0.00 0.00 0.00 23.12 21.21 1aaz s ALA 70 CO 0.01 -2.27 2.20 -1.35 0.00 0.00 0.00 175.76 174.35 1aaz h PRO 71 N -1.50 0.00 -0.00 0.00 0.11 -1.90 0.33 132.00 129.04 1aaz h PRO 71 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1aaz h PRO 71 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1aaz h PRO 71 CO 0.46 0.01 -0.12 -0.40 -0.21 0.00 0.00 178.00 177.75 1aaz n ASP 72 N -4.12 0.34 0.00 -2.05 5.75 -1.26 -4.61 116.55 110.59 1aaz n ASP 72 Ca -0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 1aaz n ASP 72 Cb 0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1aaz n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aaz n GLY 73 N 1.34 0.71 3.77 6.12 0.00 0.10 -5.08 105.19 112.16 1aaz n GLY 73 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1aaz n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aaz s SER 74 N -1.87 6.74 0.00 1.61 0.01 -1.26 -4.64 113.70 114.29 1aaz s SER 74 Ca 0.00 2.71 -0.30 0.00 1.31 0.00 0.00 55.95 59.66 1aaz s SER 74 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1aaz s SER 74 CO 0.00 -0.57 1.11 -2.28 0.41 0.00 0.00 173.24 171.91 1aaz s HIS 75 N -1.04 3.46 -0.26 2.43 5.65 -1.26 -0.62 115.29 123.65 1aaz s HIS 75 Ca 0.50 1.44 -0.09 0.00 0.25 0.00 0.00 55.06 57.15 1aaz s HIS 75 Cb -0.40 -3.30 -0.14 0.00 -1.18 0.00 0.00 32.58 27.55 1aaz s HIS 75 CO 0.53 -0.78 -0.26 -0.89 -0.65 0.00 0.00 174.74 172.69 1aaz n ILE 76 N 4.13 1.53 0.00 0.89 5.41 -0.23 -4.92 119.36 126.16 1aaz n ILE 76 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1aaz n ILE 76 Cb 0.48 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 1aaz n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1aaz n GLY 77 N 1.60 0.12 0.00 7.39 0.00 -0.78 -4.78 105.19 108.74 1aaz n GLY 77 Ca -0.50 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1aaz n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aaz n GLY 78 N 0.00 0.46 0.33 -0.02 0.00 -1.26 -0.36 105.19 104.34 1aaz n GLY 78 Ca 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 1aaz n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aaz h PHE 79 N -0.47 1.15 -0.21 1.61 3.57 -1.88 -1.30 116.94 119.41 1aaz h PHE 79 Ca 0.00 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1aaz h PHE 79 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1aaz h PHE 79 CO 0.00 0.82 -0.26 -0.44 -2.23 0.00 0.00 178.31 176.20 1aaz h ASP 80 N 1.15 0.39 -0.18 0.41 3.32 -1.97 -0.89 116.42 118.65 1aaz h ASP 80 Ca 0.29 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1aaz h ASP 80 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1aaz h ASP 80 CO -0.04 0.65 -0.25 1.56 -1.72 0.00 0.00 179.24 179.44 1aaz h GLN 81 N 0.35 0.65 -0.23 3.56 7.50 -1.79 -1.20 115.11 123.95 1aaz h GLN 81 Ca 0.05 -0.26 -0.03 0.00 0.50 0.00 0.00 58.65 58.91 1aaz h GLN 81 Cb 0.64 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 1aaz h GLN 81 CO 0.05 0.84 0.03 1.25 -1.50 0.00 0.00 178.83 179.50 1aaz h LEU 82 N 0.57 0.36 -0.71 1.46 5.85 -0.49 -1.44 115.31 120.90 1aaz h LEU 82 Ca 0.08 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1aaz h LEU 82 Cb 0.72 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1aaz h LEU 82 CO 0.06 0.54 0.42 -0.09 -0.34 0.00 0.00 178.44 179.02 1aaz h ARG 83 N 0.18 0.76 0.00 1.25 2.43 -0.84 0.23 114.38 118.39 1aaz h ARG 83 Ca 0.07 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1aaz h ARG 83 Cb 0.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1aaz h ARG 83 CO 0.01 0.50 -0.26 1.49 -1.51 0.00 0.00 179.97 180.20 1aaz h GLU 84 N 0.79 0.00 0.00 0.20 4.81 -1.09 -2.99 114.58 116.30 1aaz h GLU 84 Ca 0.31 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1aaz h GLU 84 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1aaz h GLU 84 CO -0.16 0.26 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.31 1aaz h TYR 85 N 0.00 0.00 -0.45 0.92 5.03 0.18 -2.85 116.97 119.80 1aaz h TYR 85 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1aaz h TYR 85 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 1aaz h TYR 85 CO 0.00 0.15 0.00 1.19 -1.32 0.00 0.00 178.16 178.18 1aaz n PHE 86 N -3.33 0.59 1.32 -3.82 3.72 -1.13 -5.11 117.46 109.70 1aaz n PHE 86 Ca 0.00 -0.31 0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1aaz n PHE 86 Cb 0.38 -0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.29 1aaz n PHE 86 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88