#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 3.74 -0.17 1.12 0.40 -0.52 -2.20 117.98 120.34 1de1 s PHE 2 Ca 0.00 1.63 -0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1de1 s PHE 2 Cb 0.00 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.74 1de1 s PHE 2 CO 0.00 0.33 -0.16 0.15 0.70 0.00 0.00 175.22 176.24 1de1 s LYS 3 N -1.81 3.15 -0.14 0.44 3.01 0.45 -2.02 119.74 122.82 1de1 s LYS 3 Ca 0.44 -0.76 -0.02 0.00 -1.01 0.00 0.00 55.97 54.62 1de1 s LYS 3 Cb -0.19 -2.66 -0.02 0.00 -1.01 0.00 0.00 37.83 33.95 1de1 s LYS 3 CO 0.24 -0.10 -0.07 0.08 0.51 0.00 0.00 175.35 176.00 1de1 s VAL 4 N 1.10 3.56 -0.40 3.17 1.01 -1.12 0.11 120.40 127.83 1de1 s VAL 4 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1de1 s VAL 4 Cb -0.14 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.80 1de1 s VAL 4 CO -0.05 0.51 0.20 -0.31 0.00 0.00 0.00 175.10 175.44 1de1 s TYR 5 N 0.34 3.51 0.00 5.22 2.02 0.39 -1.59 117.35 127.24 1de1 s TYR 5 Ca -0.07 -2.20 0.00 0.00 -0.37 0.00 0.00 57.07 54.44 1de1 s TYR 5 Cb -0.15 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 1de1 s TYR 5 CO 0.04 -0.94 0.00 0.41 -1.57 0.00 0.00 175.55 173.49 1de1 n GLY 6 N 4.66 3.14 3.41 0.71 0.00 -1.09 0.81 105.19 116.82 1de1 n GLY 6 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N 0.25 2.01 -0.03 1.61 2.02 -1.26 -1.86 117.35 120.08 1de1 s TYR 7 Ca 0.00 -0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1de1 s TYR 7 Cb 0.00 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1de1 s TYR 7 CO 0.00 0.53 -0.09 -0.40 -1.57 0.00 0.00 175.55 174.02 1de1 n ASP 8 N -0.43 0.69 0.00 2.29 5.75 -1.25 -4.82 116.55 118.78 1de1 n ASP 8 Ca -0.07 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1de1 n ASP 8 Cb 0.60 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1de1 n SER 9 N -3.17 0.00 -0.06 -1.12 2.88 -0.13 -4.48 113.62 107.54 1de1 n SER 9 Ca -0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1de1 n SER 9 Cb 0.13 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.54 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de1 h ASN 10 N 0.00 0.29 0.06 -3.46 -0.73 -1.99 -3.35 115.58 106.41 1de1 h ASN 10 Ca 0.00 -0.28 -0.32 0.00 1.87 0.00 0.00 56.30 57.58 1de1 h ASN 10 Cb 0.00 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1de1 h ASN 10 CO 0.00 0.50 -1.75 -0.38 -0.37 0.00 0.00 177.43 175.43 1de1 n ILE 11 N -4.75 1.64 -3.95 2.57 -0.00 -1.26 -5.00 119.36 108.61 1de1 n ILE 11 Ca -0.05 -0.36 -0.09 0.00 -0.00 0.00 0.00 62.75 62.25 1de1 n ILE 11 Cb 0.20 -1.86 -0.09 0.00 -0.00 0.00 0.00 39.64 37.88 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.47 0.25 0.81 1.39 2.46 -1.26 -4.98 115.29 111.51 1de1 s HIS 12 Ca -0.27 -0.61 -0.12 0.00 0.47 0.00 0.00 55.06 54.53 1de1 s HIS 12 Cb 0.07 -0.18 0.09 0.00 -0.13 0.00 0.00 32.58 32.44 1de1 s HIS 12 CO 0.66 -0.38 1.17 -1.59 -2.47 0.00 0.00 174.74 172.14 1de1 s LYS 13 N -2.89 1.80 -0.30 2.88 -2.85 -1.26 -0.96 119.74 116.16 1de1 s LYS 13 Ca -0.03 -0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 54.72 1de1 s LYS 13 Cb 0.01 -1.97 0.19 0.00 -2.06 0.00 0.00 37.83 33.99 1de1 s LYS 13 CO -0.06 -1.66 1.28 0.00 0.10 0.00 0.00 175.35 175.01 1de1 n VAL 15 N 4.98 1.71 0.57 0.00 0.24 -1.26 -4.12 118.33 120.45 1de1 n VAL 15 Ca -0.08 -0.70 0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1de1 n VAL 15 Cb 0.55 -1.48 0.37 0.00 -1.47 0.00 0.00 33.84 31.81 1de1 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de1 h TYR 16 N 0.05 0.00 -0.47 6.34 0.05 -1.97 -3.25 116.97 117.72 1de1 h TYR 16 Ca -0.39 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.31 1de1 h TYR 16 Cb 2.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.75 1de1 h TYR 16 CO 0.05 0.00 -0.00 0.00 -1.05 0.00 0.00 178.16 177.16 1de1 h ASP 18 N 0.68 0.79 -0.32 0.00 3.58 -1.75 -2.92 116.42 116.48 1de1 h ASP 18 Ca 0.13 -0.58 0.04 0.00 0.42 0.00 0.00 57.03 57.04 1de1 h ASP 18 Cb 0.51 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1de1 h ASP 18 CO 0.02 1.23 0.09 0.78 -2.88 0.00 0.00 179.24 178.48 1de1 h ASN 19 N 0.39 0.07 -0.22 2.28 2.35 -1.58 -2.56 115.58 116.31 1de1 h ASN 19 Ca -0.01 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1de1 h ASN 19 Cb 1.14 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1de1 h ASN 19 CO 0.11 0.08 0.10 0.00 -1.65 0.00 0.00 177.43 176.07 1de1 h ALA 20 N 1.22 0.29 -1.03 -0.83 0.00 -1.51 -2.24 119.26 115.15 1de1 h ALA 20 Ca 0.14 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.24 1de1 h ALA 20 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1de1 h ALA 20 CO -0.17 -0.13 0.72 -0.22 0.00 0.00 0.00 179.25 179.45 1de1 h LYS 21 N 0.21 0.11 -0.05 0.00 3.64 -1.29 0.79 116.57 119.99 1de1 h LYS 21 Ca 0.07 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.26 1de1 h LYS 21 Cb 0.15 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1de1 h LYS 21 CO -0.01 0.07 -0.79 -0.09 -2.27 0.00 0.00 179.45 176.36 1de1 h ARG 22 N 0.11 0.35 -0.09 1.90 2.43 -1.02 -2.96 114.38 115.12 1de1 h ARG 22 Ca 0.51 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1de1 h ARG 22 Cb 1.82 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.41 1de1 h ARG 22 CO -0.08 0.98 -0.13 1.25 -1.51 0.00 0.00 179.97 180.48 1de1 h LEU 23 N 0.23 -0.41 0.37 3.80 6.46 0.94 -0.83 115.31 125.87 1de1 h LEU 23 Ca -0.04 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1de1 h LEU 23 Cb 1.38 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.50 1de1 h LEU 23 CO 0.13 -0.18 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.49 1de1 h LEU 24 N -0.18 -0.52 -1.40 2.25 3.38 -1.52 -2.16 115.31 115.16 1de1 h LEU 24 Ca 0.08 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.34 1de1 h LEU 24 Cb 0.29 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1de1 h LEU 24 CO -0.20 -0.34 0.67 0.74 0.09 0.00 0.00 178.44 179.40 1de1 h THR 25 N -0.55 0.53 0.00 0.22 2.02 -1.33 0.98 112.91 114.78 1de1 h THR 25 Ca -0.04 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 1de1 h THR 25 Cb 0.44 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1de1 h THR 25 CO 0.06 0.07 -0.45 0.58 0.37 0.00 0.00 175.52 176.14 1de1 h VAL 26 N 0.38 1.30 0.00 3.16 2.07 -0.55 -2.83 116.25 119.78 1de1 h VAL 26 Ca 0.58 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1de1 h VAL 26 Cb 1.51 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1de1 h VAL 26 CO -0.27 0.45 -0.92 0.29 0.02 0.00 0.00 177.57 177.13 1de1 n LYS 27 N -3.96 0.42 -2.19 1.57 4.76 0.29 -5.01 118.16 114.04 1de1 n LYS 27 Ca -0.02 0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.46 1de1 n LYS 27 Cb 0.48 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.98 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1de1 n LYS 28 N -2.28 -0.74 -4.45 1.97 4.81 0.15 -5.08 118.16 112.54 1de1 n LYS 28 Ca 0.01 0.64 -0.20 0.00 -0.87 0.00 0.00 58.31 57.90 1de1 n LYS 28 Cb 0.48 -3.29 -0.14 0.00 0.02 0.00 0.00 35.03 32.10 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de1 s GLN 29 N -3.29 0.93 0.01 1.64 -1.52 -1.21 -5.04 119.66 111.19 1de1 s GLN 29 Ca 0.09 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 1de1 s GLN 29 Cb -0.01 -0.91 -0.04 0.00 -0.22 0.00 0.00 33.01 31.82 1de1 s GLN 29 CO 0.31 0.24 1.16 -1.25 -0.25 0.00 0.00 175.29 175.50 1de1 s PRO 30 N -0.61 4.43 0.25 2.91 0.04 -1.26 -4.72 135.00 136.04 1de1 s PRO 30 Ca 0.03 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 1de1 s PRO 30 Cb -0.06 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1de1 s PRO 30 CO 0.00 -0.27 0.66 -0.59 0.04 0.00 0.00 177.00 176.84 1de1 s PHE 31 N 1.39 -0.20 -0.05 0.56 -0.12 -1.26 -1.44 117.98 116.86 1de1 s PHE 31 Ca 0.57 -0.20 -0.15 0.00 -0.05 0.00 0.00 56.93 57.10 1de1 s PHE 31 Cb -0.26 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1de1 s PHE 31 CO 0.27 -1.12 0.33 -1.21 -0.05 0.00 0.00 175.22 173.44 1de1 s GLU 32 N -3.89 0.61 0.37 1.99 8.01 -0.86 -4.89 118.70 120.04 1de1 s GLU 32 Ca 0.10 0.02 -0.06 0.00 0.01 0.00 0.00 54.97 55.04 1de1 s GLU 32 Cb -0.04 0.27 -0.05 0.00 -4.31 0.00 0.00 34.13 30.00 1de1 s GLU 32 CO 0.03 -0.15 0.67 0.12 0.01 0.00 0.00 175.26 175.94 1de1 s PHE 33 N -0.88 3.50 -0.12 1.61 5.36 -1.26 -2.80 117.98 123.39 1de1 s PHE 33 Ca -0.10 0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 56.61 1de1 s PHE 33 Cb -0.04 -2.23 0.06 0.00 -0.34 0.00 0.00 43.02 40.46 1de1 s PHE 33 CO 0.03 -0.02 0.23 0.42 -1.46 0.00 0.00 175.22 174.43 1de1 s ILE 34 N -2.34 -0.37 -0.42 3.12 1.01 -0.62 -4.90 121.20 116.67 1de1 s ILE 34 Ca 0.47 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1de1 s ILE 34 Cb -0.10 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.98 1de1 s ILE 34 CO 0.34 0.13 1.42 0.54 0.00 0.00 0.00 174.94 177.37 1de1 s ASN 35 N 2.38 6.31 0.19 3.58 4.22 -1.26 -2.68 114.94 127.68 1de1 s ASN 35 Ca 0.02 0.81 0.23 0.00 -2.14 0.00 0.00 52.86 51.78 1de1 s ASN 35 Cb -0.12 -2.54 0.91 0.00 1.28 0.00 0.00 41.25 40.78 1de1 s ASN 35 CO -0.08 -1.46 1.70 2.30 -2.04 0.00 0.00 177.10 177.53 1de1 n ILE 36 N 7.09 0.75 -3.90 0.54 -5.35 -0.78 -4.09 119.36 113.62 1de1 n ILE 36 Ca 0.16 0.10 -0.28 0.00 -0.27 0.00 0.00 62.75 62.47 1de1 n ILE 36 Cb 0.48 -0.97 -0.12 0.00 -1.74 0.00 0.00 39.64 37.29 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de1 s MET 37 N -3.20 2.46 0.00 6.28 0.00 -1.26 0.17 119.30 123.75 1de1 s MET 37 Ca 0.07 -3.32 0.18 0.00 0.00 0.00 0.00 55.69 52.62 1de1 s MET 37 Cb 0.11 -3.43 0.77 0.00 0.00 0.00 0.00 34.83 32.28 1de1 s MET 37 CO 0.43 -1.28 1.57 -0.35 0.00 0.00 0.00 175.02 175.39 1de1 n PRO 38 N 2.02 0.01 -3.87 4.11 -0.04 -1.26 -4.68 135.00 131.29 1de1 n PRO 38 Ca 0.19 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1de1 n PRO 38 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 1de1 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -2.99 0.04 0.00 0.54 2.12 -1.26 -5.01 118.70 112.15 1de1 s GLU 39 Ca 0.09 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1de1 s GLU 39 Cb 0.12 -0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.44 1de1 s GLU 39 CO 0.33 -0.04 0.99 1.63 -0.54 0.00 0.00 175.26 177.62 1de1 n LYS 40 N 3.43 0.01 -0.04 4.30 5.02 -1.26 -2.72 118.16 126.90 1de1 n LYS 40 Ca -0.17 0.42 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1de1 n LYS 40 Cb 0.57 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de1 h GLY 41 N 0.24 0.00 -3.81 0.72 0.00 -1.96 -3.49 103.07 94.77 1de1 h GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1de1 h GLY 41 CO 0.00 0.00 -0.23 0.14 0.00 0.00 0.00 176.54 176.45 1de1 s VAL 42 N -1.44 0.08 1.21 4.60 1.01 -1.10 -5.16 120.40 119.59 1de1 s VAL 42 Ca -0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1de1 s VAL 42 Cb 0.00 -0.94 0.30 0.00 0.00 0.00 0.00 36.38 35.74 1de1 s VAL 42 CO 0.00 -0.36 0.98 0.49 0.00 0.00 0.00 175.10 176.21 1de1 n PHE 43 N 0.56 -1.48 -2.64 5.22 3.72 -1.26 -4.10 117.46 117.48 1de1 n PHE 43 Ca -0.19 -0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 56.59 1de1 n PHE 43 Cb 0.59 -1.67 -0.03 0.00 -0.94 0.00 0.00 39.48 37.44 1de1 n PHE 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1de1 s ASP 44 N -2.36 6.18 0.57 4.37 -1.08 0.46 -4.87 116.67 119.94 1de1 s ASP 44 Ca 0.69 -0.57 0.27 0.00 -0.52 0.00 0.00 52.55 52.42 1de1 s ASP 44 Cb -0.26 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.22 1de1 s ASP 44 CO 0.66 -1.70 2.02 0.44 0.52 0.00 0.00 175.17 177.11 1de1 h ASP 45 N 9.87 0.00 0.43 -0.34 5.19 -1.90 0.18 116.42 129.84 1de1 h ASP 45 Ca -0.28 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 1de1 h ASP 45 Cb 1.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1de1 h ASP 45 CO 1.24 0.00 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.83 1de1 h GLU 46 N 0.00 -0.56 -0.04 3.56 5.08 -1.98 0.85 114.58 121.49 1de1 h GLU 46 Ca 0.16 0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 1de1 h GLU 46 Cb 0.78 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1de1 h GLU 46 CO -0.00 -0.29 -0.73 0.87 -1.00 0.00 0.00 179.01 177.85 1de1 h LYS 47 N -0.73 0.26 -0.05 2.33 1.57 -1.78 -2.99 116.57 115.19 1de1 h LYS 47 Ca -0.06 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 1de1 h LYS 47 Cb 0.52 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1de1 h LYS 47 CO 0.10 0.88 -0.58 0.82 -0.57 0.00 0.00 179.45 180.10 1de1 h ILE 48 N 0.17 1.39 0.44 1.86 1.08 -0.63 -2.47 117.51 119.36 1de1 h ILE 48 Ca -0.03 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.48 1de1 h ILE 48 Cb 1.30 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1de1 h ILE 48 CO 0.12 0.57 -0.21 0.00 -0.69 0.00 0.00 178.15 177.93 1de1 h ALA 49 N 1.30 -0.59 -0.06 1.87 0.00 0.81 -2.37 119.26 120.21 1de1 h ALA 49 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1de1 h ALA 49 Cb 1.05 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1de1 h ALA 49 CO 0.08 -0.68 0.05 1.05 0.00 0.00 0.00 179.25 179.76 1de1 h GLU 50 N -0.91 0.00 0.84 0.00 4.11 -1.58 -2.46 114.58 114.58 1de1 h GLU 50 Ca -0.06 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1de1 h GLU 50 Cb 0.57 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1de1 h GLU 50 CO 0.10 0.00 -0.42 1.25 0.07 0.00 0.00 179.01 180.01 1de1 h LEU 51 N 0.00 -1.01 -0.93 3.06 6.46 -1.29 0.57 115.31 122.18 1de1 h LEU 51 Ca 0.03 0.04 0.26 0.00 -0.12 0.00 0.00 57.88 58.09 1de1 h LEU 51 Cb 0.12 0.27 -0.14 0.00 -0.73 0.00 0.00 40.66 40.18 1de1 h LEU 51 CO -0.00 -0.71 0.38 -0.07 -0.62 0.00 0.00 178.44 177.43 1de1 h LEU 52 N -1.16 0.25 -0.84 2.25 3.38 -0.96 0.85 115.31 119.09 1de1 h LEU 52 Ca -0.11 0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1de1 h LEU 52 Cb 0.89 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1de1 h LEU 52 CO 0.18 -0.10 -0.54 0.74 0.09 0.00 0.00 178.44 178.80 1de1 h THR 53 N 0.30 1.38 -0.16 0.22 2.02 -1.28 -3.16 112.91 112.23 1de1 h THR 53 Ca 0.61 -1.85 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1de1 h THR 53 Cb 1.27 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1de1 h THR 53 CO -0.61 0.54 0.10 0.50 0.37 0.00 0.00 175.52 176.42 1de1 h LYS 54 N 0.08 0.22 0.91 6.66 3.64 0.31 -3.22 116.57 125.17 1de1 h LYS 54 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1de1 h LYS 54 Cb 0.98 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1de1 h LYS 54 CO 0.08 0.18 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.89 1de1 h LEU 55 N 0.19 -1.15 0.00 5.20 4.07 -1.40 -3.43 115.31 118.78 1de1 h LEU 55 Ca 0.06 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1de1 h LEU 55 Cb 0.02 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1de1 h LEU 55 CO -0.01 -0.78 0.00 0.61 -1.08 0.00 0.00 178.44 177.18 1de1 n GLY 56 N -1.64 0.80 1.09 0.83 0.00 -1.20 -4.93 105.19 100.15 1de1 n GLY 56 Ca -0.16 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.53 116.66 114.22 1de1 n ARG 57 Ca 0.00 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1de1 n ARG 57 Cb 0.00 0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1de1 n ASP 58 N 0.19 1.21 -4.56 0.55 5.75 -1.26 -5.12 116.55 113.31 1de1 n ASP 58 Ca -0.10 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.42 1de1 n ASP 58 Cb 0.85 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.83 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de1 s THR 59 N 1.20 2.00 -0.33 2.12 -1.32 -1.26 -4.93 115.64 113.12 1de1 s THR 59 Ca 0.00 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.38 1de1 s THR 59 Cb 0.00 -2.79 0.10 0.00 -1.51 0.00 0.00 72.50 68.31 1de1 s THR 59 CO 0.00 -0.11 0.11 0.00 -2.21 0.00 0.00 174.62 172.40 1de1 s GLN 60 N -3.68 0.87 -1.12 7.08 -2.07 -1.26 -5.06 119.66 114.41 1de1 s GLN 60 Ca 0.34 -1.28 -0.20 0.00 -1.82 0.00 0.00 55.36 52.40 1de1 s GLN 60 Cb 0.06 -2.18 0.08 0.00 -1.09 0.00 0.00 33.01 29.88 1de1 s GLN 60 CO 0.17 -1.00 1.51 -1.50 -1.32 0.00 0.00 175.29 173.15 1de1 s ILE 61 N 1.38 4.19 0.00 3.63 1.10 -1.26 -3.58 121.20 126.67 1de1 s ILE 61 Ca 0.11 -1.44 0.00 0.00 -0.51 0.00 0.00 60.65 58.81 1de1 s ILE 61 Cb -0.18 -5.06 0.00 0.00 0.15 0.00 0.00 42.46 37.37 1de1 s ILE 61 CO -0.20 -1.89 0.00 0.61 -2.11 0.00 0.00 174.94 171.35 1de1 n GLY 62 N 5.94 1.69 3.70 1.50 0.00 -1.26 -5.07 105.19 111.69 1de1 n GLY 62 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1de1 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de1 s LEU 63 N 0.00 4.39 0.45 0.99 1.98 -1.23 -4.98 118.68 120.27 1de1 s LEU 63 Ca 0.00 2.77 -0.01 0.00 -2.89 0.00 0.00 54.13 54.00 1de1 s LEU 63 Cb 0.00 -3.58 -0.01 0.00 0.66 0.00 0.00 46.19 43.26 1de1 s LEU 63 CO 0.00 -0.98 0.68 0.42 -1.89 0.00 0.00 176.35 174.58 1de1 s THR 64 N 2.14 4.22 0.29 3.68 -4.23 -1.26 -5.12 115.64 115.36 1de1 s THR 64 Ca 0.78 -0.39 0.11 0.00 -1.18 0.00 0.00 61.69 61.01 1de1 s THR 64 Cb -0.47 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1de1 s THR 64 CO 0.34 -0.43 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.82 1de1 s MET 65 N -4.57 1.83 0.35 3.99 -1.94 -1.26 -4.38 119.30 113.32 1de1 s MET 65 Ca 0.47 -1.72 -0.17 0.00 -1.71 0.00 0.00 55.69 52.56 1de1 s MET 65 Cb -0.10 -1.85 -0.10 0.00 2.01 0.00 0.00 34.83 34.80 1de1 s MET 65 CO 0.39 0.31 0.80 -2.14 -0.01 0.00 0.00 175.02 174.37 1de1 s PRO 66 N -3.56 4.09 -0.27 2.03 0.02 -1.26 -4.99 135.00 131.05 1de1 s PRO 66 Ca 0.31 0.82 -0.10 0.00 0.02 0.00 0.00 61.00 62.05 1de1 s PRO 66 Cb -0.04 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 1de1 s PRO 66 CO 0.16 0.11 0.15 -0.65 -0.33 0.00 0.00 177.00 176.45 1de1 s GLN 67 N -3.00 3.87 0.26 5.54 -1.52 0.24 -4.42 119.66 120.62 1de1 s GLN 67 Ca 0.56 -0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.65 1de1 s GLN 67 Cb -0.10 -3.56 -0.03 0.00 -0.22 0.00 0.00 33.01 29.10 1de1 s GLN 67 CO 0.16 -0.17 0.40 0.08 -0.25 0.00 0.00 175.29 175.51 1de1 s VAL 68 N 1.69 5.23 -0.05 1.09 1.01 -1.05 0.15 120.40 128.47 1de1 s VAL 68 Ca 0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1de1 s VAL 68 Cb -0.16 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1de1 s VAL 68 CO 0.09 -0.37 0.12 -0.36 0.00 0.00 0.00 175.10 174.58 1de1 s PHE 69 N -2.04 -0.12 0.61 5.22 0.08 0.30 -2.73 117.98 119.29 1de1 s PHE 69 Ca 0.35 0.38 -0.19 0.00 0.12 0.00 0.00 56.93 57.59 1de1 s PHE 69 Cb -0.09 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1de1 s PHE 69 CO 0.30 -0.12 1.25 0.00 -0.10 0.00 0.00 175.22 176.56 1de1 s ALA 70 N 0.81 2.51 0.21 5.36 0.00 0.23 -0.41 121.76 130.47 1de1 s ALA 70 Ca -0.06 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1de1 s ALA 70 Cb -0.08 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.74 1de1 s ALA 70 CO -0.04 -1.34 1.59 -1.35 0.00 0.00 0.00 175.76 174.62 1de1 h PRO 71 N 0.82 -0.08 -0.21 0.00 0.11 -1.78 0.34 132.00 131.21 1de1 h PRO 71 Ca -0.51 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1de1 h PRO 71 Cb 1.31 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1de1 h PRO 71 CO 0.55 -0.05 0.15 -0.44 -0.21 0.00 0.00 178.00 177.99 1de1 h ASP 72 N -0.08 0.00 0.00 -2.05 5.19 -1.92 -3.41 116.42 114.15 1de1 h ASP 72 Ca 0.29 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1de1 h ASP 72 Cb 0.56 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1de1 h ASP 72 CO -0.75 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 175.98 1de1 n GLY 73 N -1.58 0.63 3.21 2.75 0.00 0.12 -5.16 105.19 105.16 1de1 n GLY 73 Ca 0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N -0.47 0.02 -0.35 1.61 0.01 -1.20 -4.91 113.70 108.41 1de1 s SER 74 Ca 0.00 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.56 1de1 s SER 74 Cb 0.00 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.57 1de1 s SER 74 CO 0.00 -0.65 0.92 -2.28 0.41 0.00 0.00 173.24 171.64 1de1 s HIS 75 N -3.12 3.11 -0.23 2.43 2.46 -1.26 0.76 115.29 119.44 1de1 s HIS 75 Ca -0.01 0.83 -0.18 0.00 0.47 0.00 0.00 55.06 56.17 1de1 s HIS 75 Cb 0.01 -3.57 -0.17 0.00 -0.13 0.00 0.00 32.58 28.72 1de1 s HIS 75 CO -0.07 -0.77 0.02 -0.89 -2.47 0.00 0.00 174.74 170.56 1de1 n ILE 76 N 5.88 1.55 0.00 0.89 5.41 -1.11 -4.91 119.36 127.07 1de1 n ILE 76 Ca 0.07 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1de1 n ILE 76 Cb 0.48 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 1de1 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de1 n GLY 77 N 1.43 0.46 0.00 7.39 0.00 -1.24 -4.22 105.19 109.01 1de1 n GLY 77 Ca -0.40 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 0.85 0.00 -0.02 0.00 -1.26 -2.53 105.19 102.23 1de1 n GLY 78 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.16 1.61 -0.00 -1.26 -2.12 117.46 115.53 1de1 n PHE 79 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1de1 n PHE 79 Cb 0.00 -0.50 0.05 0.00 -0.00 0.00 0.00 39.48 39.03 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de1 h ASP 80 N 0.00 -0.31 -0.82 -2.13 3.58 -1.98 1.21 116.42 115.97 1de1 h ASP 80 Ca 0.00 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.64 1de1 h ASP 80 Cb 0.00 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 1de1 h ASP 80 CO 0.00 -0.11 0.50 -0.61 -2.88 0.00 0.00 179.24 176.14 1de1 h GLN 81 N 0.07 0.90 0.01 0.28 4.15 -1.88 -2.10 115.11 116.54 1de1 h GLN 81 Ca 0.25 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.42 1de1 h GLN 81 Cb 0.38 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1de1 h GLN 81 CO -0.45 0.60 -0.88 1.25 -1.93 0.00 0.00 178.83 177.42 1de1 h LEU 82 N 0.93 0.21 -1.62 -2.39 6.46 -0.47 -3.08 115.31 115.34 1de1 h LEU 82 Ca 0.35 -0.17 0.21 0.00 -0.12 0.00 0.00 57.88 58.15 1de1 h LEU 82 Cb 0.14 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1de1 h LEU 82 CO -0.16 0.98 0.59 -0.09 -0.62 0.00 0.00 178.44 179.14 1de1 h ARG 83 N 0.08 0.30 -0.35 1.25 2.43 0.21 1.31 114.38 119.62 1de1 h ARG 83 Ca -0.04 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1de1 h ARG 83 Cb 1.51 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1de1 h ARG 83 CO 0.13 0.20 -0.15 1.49 -1.51 0.00 0.00 179.97 180.13 1de1 h GLU 84 N 0.31 0.63 -0.33 0.20 4.81 -1.41 0.94 114.58 119.73 1de1 h GLU 84 Ca 0.45 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1de1 h GLU 84 Cb 1.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1de1 h GLU 84 CO -0.14 0.76 0.04 -0.92 -0.73 0.00 0.00 179.01 178.02 1de1 h TYR 85 N 0.57 0.50 0.00 0.92 5.03 0.16 -3.29 116.97 120.86 1de1 h TYR 85 Ca 0.10 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1de1 h TYR 85 Cb 0.59 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1de1 h TYR 85 CO 0.02 0.47 -0.08 0.74 -1.32 0.00 0.00 178.16 178.00 1de1 h PHE 86 N 0.48 0.00 0.00 -3.82 0.04 -0.39 -3.52 116.94 109.73 1de1 h PHE 86 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1de1 h PHE 86 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1de1 h PHE 86 CO 0.01 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.35