#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 1.17 -4.07 1.12 3.01 -0.87 -4.11 117.46 113.71 1de1 n PHE 2 Ca 0.00 0.40 -0.25 0.00 1.01 0.00 0.00 57.45 58.61 1de1 n PHE 2 Cb 0.00 -2.12 -0.17 0.00 -0.01 0.00 0.00 39.48 37.18 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de1 s LYS 3 N -3.80 1.42 0.03 -1.08 3.01 -0.80 0.23 119.74 118.76 1de1 s LYS 3 Ca 0.75 -0.24 0.05 0.00 -1.01 0.00 0.00 55.97 55.52 1de1 s LYS 3 Cb -0.32 -1.43 -0.03 0.00 -1.01 0.00 0.00 37.83 35.04 1de1 s LYS 3 CO 0.49 -0.19 -0.13 0.08 0.51 0.00 0.00 175.35 176.12 1de1 s VAL 4 N 1.43 3.20 -0.30 3.17 1.01 -0.61 0.14 120.40 128.44 1de1 s VAL 4 Ca -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1de1 s VAL 4 Cb -0.13 -2.38 0.09 0.00 0.00 0.00 0.00 36.38 33.95 1de1 s VAL 4 CO -0.05 0.35 0.02 -0.31 0.00 0.00 0.00 175.10 175.12 1de1 s TYR 5 N -0.98 2.99 0.00 5.22 1.51 0.43 0.11 117.35 126.63 1de1 s TYR 5 Ca 0.16 -2.41 0.00 0.00 -1.01 0.00 0.00 57.07 53.81 1de1 s TYR 5 Cb -0.11 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1de1 s TYR 5 CO 0.07 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1de1 n GLY 6 N 4.48 2.91 3.61 0.71 0.00 0.22 0.64 105.19 117.76 1de1 n GLY 6 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 0.44 2.76 -2.27 1.61 2.02 -1.26 -1.11 117.35 119.55 1de1 s TYR 7 Ca 0.00 -0.16 0.22 0.00 -0.37 0.00 0.00 57.07 56.76 1de1 s TYR 7 Cb 0.00 -1.38 0.84 0.00 -0.40 0.00 0.00 41.96 41.02 1de1 s TYR 7 CO 0.00 0.48 1.60 -0.25 -1.57 0.00 0.00 175.55 175.81 1de1 n ASP 8 N 0.25 1.44 0.00 2.29 9.92 -1.26 -4.90 116.55 124.29 1de1 n ASP 8 Ca -0.11 -1.64 0.00 0.00 -0.53 0.00 0.00 54.79 52.51 1de1 n ASP 8 Cb 0.54 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de1 n SER 9 N 0.17 0.00 0.05 -2.24 2.88 -1.20 -4.81 113.62 108.46 1de1 n SER 9 Ca 0.16 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.55 1de1 n SER 9 Cb 0.30 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.62 1de1 n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1de1 h ASN 10 N 0.00 0.32 0.05 -3.46 -1.07 -2.00 -3.39 115.58 106.04 1de1 h ASN 10 Ca 0.00 -0.48 -0.37 0.00 0.07 0.00 0.00 56.30 55.53 1de1 h ASN 10 Cb 0.00 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 36.10 1de1 h ASN 10 CO 0.00 1.40 -2.10 -0.38 0.07 0.00 0.00 177.43 176.42 1de1 n ILE 11 N -3.40 1.63 -3.97 6.14 -0.00 -1.26 -4.99 119.36 113.50 1de1 n ILE 11 Ca -0.17 -0.51 -0.11 0.00 -0.00 0.00 0.00 62.75 61.97 1de1 n ILE 11 Cb 1.04 -1.70 -0.12 0.00 -0.00 0.00 0.00 39.64 38.86 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 -2.51 0.25 0.67 1.39 5.04 -1.26 -4.92 115.29 113.95 1de1 s HIS 12 Ca -0.29 -0.37 -0.11 0.00 -1.54 0.00 0.00 55.06 52.74 1de1 s HIS 12 Cb 0.08 -0.17 -0.01 0.00 0.04 0.00 0.00 32.58 32.52 1de1 s HIS 12 CO 0.66 -0.12 1.05 0.21 -2.34 0.00 0.00 174.74 174.20 1de1 s LYS 13 N -1.05 3.16 -0.30 2.88 2.20 -1.26 -3.22 119.74 122.16 1de1 s LYS 13 Ca -0.10 0.91 -0.17 0.00 -0.36 0.00 0.00 55.97 56.25 1de1 s LYS 13 Cb -0.07 -2.02 0.18 0.00 -1.51 0.00 0.00 37.83 34.41 1de1 s LYS 13 CO -0.01 -0.92 1.13 0.00 -0.36 0.00 0.00 175.35 175.20 1de1 n VAL 15 N 4.47 1.60 0.20 0.00 0.24 -1.26 -3.93 118.33 119.66 1de1 n VAL 15 Ca -0.10 -0.79 0.09 0.00 -2.04 0.00 0.00 64.34 61.50 1de1 n VAL 15 Cb 0.55 -1.04 0.22 0.00 -1.47 0.00 0.00 33.84 32.10 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 0.00 0.00 -0.14 6.34 -1.99 -1.96 -2.80 116.97 116.42 1de1 h TYR 16 Ca -0.28 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.27 1de1 h TYR 16 Cb 2.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.74 1de1 h TYR 16 CO 0.00 0.19 -0.62 0.00 -0.00 0.00 0.00 178.16 177.73 1de1 h ASP 18 N 0.33 0.00 -0.02 0.00 5.19 -1.68 -2.83 116.42 117.41 1de1 h ASP 18 Ca -0.04 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.13 1de1 h ASP 18 Cb 1.26 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.78 1de1 h ASP 18 CO 0.13 0.67 -0.93 0.78 -3.12 0.00 0.00 179.24 176.78 1de1 h ASN 19 N 0.00 0.89 -0.26 6.45 2.35 -1.52 -2.98 115.58 120.51 1de1 h ASN 19 Ca -0.01 -0.66 -0.14 0.00 -0.55 0.00 0.00 56.30 54.95 1de1 h ASN 19 Cb 1.32 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1de1 h ASN 19 CO 0.09 1.45 -0.35 0.00 -1.65 0.00 0.00 177.43 176.98 1de1 h ALA 20 N 0.50 0.73 0.60 -0.83 0.00 -1.43 -1.79 119.26 117.05 1de1 h ALA 20 Ca -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1de1 h ALA 20 Cb 1.57 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1de1 h ALA 20 CO 0.18 0.66 -0.29 -0.22 0.00 0.00 0.00 179.25 179.58 1de1 h LYS 21 N 0.66 -0.78 -0.04 0.00 3.64 -1.55 -2.41 116.57 116.09 1de1 h LYS 21 Ca 0.06 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1de1 h LYS 21 Cb 0.90 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1de1 h LYS 21 CO 0.08 -0.52 -0.05 0.07 -2.27 0.00 0.00 179.45 176.77 1de1 h ARG 22 N -0.81 0.06 -0.58 1.90 -0.00 -1.56 -2.24 114.38 111.15 1de1 h ARG 22 Ca -0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 59.98 59.98 1de1 h ARG 22 Cb 0.62 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.97 30.51 1de1 h ARG 22 CO 0.14 0.11 0.19 1.25 -0.00 0.00 0.00 179.97 181.66 1de1 h LEU 23 N 0.06 0.16 -0.09 0.08 6.46 -0.83 0.25 115.31 121.41 1de1 h LEU 23 Ca 0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1de1 h LEU 23 Cb 0.13 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1de1 h LEU 23 CO 0.01 0.11 -0.00 -0.07 -0.62 0.00 0.00 178.44 177.86 1de1 h LEU 24 N 0.36 0.15 -1.35 2.25 3.38 -1.14 -1.18 115.31 117.78 1de1 h LEU 24 Ca 0.29 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1de1 h LEU 24 Cb 0.36 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1de1 h LEU 24 CO -0.31 0.43 0.52 0.74 0.09 0.00 0.00 178.44 179.90 1de1 h THR 25 N -0.13 0.95 -0.04 0.22 2.02 -1.19 0.34 112.91 115.08 1de1 h THR 25 Ca 0.02 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.81 1de1 h THR 25 Cb 0.35 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1de1 h THR 25 CO 0.00 0.13 -0.65 0.58 0.37 0.00 0.00 175.52 175.96 1de1 h VAL 26 N 0.72 1.42 -0.00 3.16 2.07 -0.33 -2.90 116.25 120.40 1de1 h VAL 26 Ca 0.36 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1de1 h VAL 26 Cb 0.45 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1de1 h VAL 26 CO -0.14 0.62 -0.26 0.29 0.02 0.00 0.00 177.57 178.10 1de1 n LYS 27 N -3.82 0.02 -2.34 1.57 4.76 0.04 -4.96 118.16 113.42 1de1 n LYS 27 Ca -0.02 -0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.34 1de1 n LYS 27 Cb 0.64 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.37 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1de1 n LYS 28 N -1.49 -1.39 -4.18 1.97 4.76 0.98 -5.06 118.16 113.76 1de1 n LYS 28 Ca 0.06 0.38 -0.16 0.00 -2.87 0.00 0.00 58.31 55.72 1de1 n LYS 28 Cb 0.34 -3.52 -0.15 0.00 -1.84 0.00 0.00 35.03 29.86 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de1 s GLN 29 N -3.82 0.48 0.28 1.97 -1.52 -0.84 -5.03 119.66 111.18 1de1 s GLN 29 Ca 0.16 -0.19 -0.28 0.00 -1.95 0.00 0.00 55.36 53.10 1de1 s GLN 29 Cb -0.02 -0.47 -0.09 0.00 -0.22 0.00 0.00 33.01 32.20 1de1 s GLN 29 CO 0.32 0.10 0.95 -1.25 -0.25 0.00 0.00 175.29 175.17 1de1 s PRO 30 N -0.03 4.71 0.28 2.91 0.04 -1.26 -4.42 135.00 137.23 1de1 s PRO 30 Ca 0.01 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 1de1 s PRO 30 Cb -0.03 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1de1 s PRO 30 CO -0.00 0.38 0.69 -0.59 0.04 0.00 0.00 177.00 177.52 1de1 s PHE 31 N -1.38 -0.08 -0.03 0.56 -0.71 -1.26 -2.06 117.98 113.02 1de1 s PHE 31 Ca 0.46 -0.38 -0.02 0.00 -1.04 0.00 0.00 56.93 55.95 1de1 s PHE 31 Cb -0.23 0.63 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1de1 s PHE 31 CO 0.29 -1.22 0.06 -1.21 -1.34 0.00 0.00 175.22 171.80 1de1 s GLU 32 N -3.83 0.04 0.43 1.99 2.02 0.14 -4.83 118.70 114.66 1de1 s GLU 32 Ca 0.13 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.25 1de1 s GLU 32 Cb -0.05 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.06 1de1 s GLU 32 CO 0.08 -0.08 0.70 0.12 0.02 0.00 0.00 175.26 176.10 1de1 s PHE 33 N 0.51 3.54 -0.09 1.61 5.36 -1.26 -1.57 117.98 126.09 1de1 s PHE 33 Ca -0.04 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1de1 s PHE 33 Cb -0.06 -2.16 0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1de1 s PHE 33 CO -0.02 -0.13 0.06 0.42 -1.46 0.00 0.00 175.22 174.09 1de1 s ILE 34 N -2.58 -0.02 -0.23 3.12 1.01 0.29 -4.79 121.20 118.01 1de1 s ILE 34 Ca 0.45 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 1de1 s ILE 34 Cb -0.10 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1de1 s ILE 34 CO 0.41 0.03 0.72 0.21 0.00 0.00 0.00 174.94 176.32 1de1 s ASN 35 N 2.12 6.74 -0.50 3.58 3.84 -1.26 -0.61 114.94 128.85 1de1 s ASN 35 Ca 0.04 0.91 0.03 0.00 0.21 0.00 0.00 52.86 54.04 1de1 s ASN 35 Cb -0.13 -2.39 0.62 0.00 -0.55 0.00 0.00 41.25 38.79 1de1 s ASN 35 CO -0.05 -0.40 1.94 2.30 -2.79 0.00 0.00 177.10 178.10 1de1 n ILE 36 N 5.05 3.30 -3.36 -5.21 -5.35 -0.26 -4.70 119.36 108.83 1de1 n ILE 36 Ca 0.02 -2.18 -0.24 0.00 -0.27 0.00 0.00 62.75 60.08 1de1 n ILE 36 Cb 0.49 -0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 37.66 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1de1 s MET 37 N -3.43 0.77 0.00 6.28 -1.94 -1.26 -1.70 119.30 118.02 1de1 s MET 37 Ca 0.59 -1.62 0.11 0.00 -1.71 0.00 0.00 55.69 53.05 1de1 s MET 37 Cb 0.49 -1.18 0.49 0.00 2.01 0.00 0.00 34.83 36.64 1de1 s MET 37 CO 0.08 -1.31 1.31 -0.35 -0.01 0.00 0.00 175.02 174.74 1de1 n PRO 38 N 3.40 0.06 -4.23 2.03 -0.04 -1.06 -4.76 135.00 130.39 1de1 n PRO 38 Ca 0.21 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1de1 n PRO 38 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1de1 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de1 s GLU 39 N -2.85 1.28 0.00 0.54 2.02 -1.12 -5.01 118.70 113.56 1de1 s GLU 39 Ca 0.07 -1.68 0.08 0.00 0.02 0.00 0.00 54.97 53.46 1de1 s GLU 39 Cb 0.07 0.16 0.40 0.00 0.10 0.00 0.00 34.13 34.86 1de1 s GLU 39 CO 0.19 -0.39 1.16 1.63 0.02 0.00 0.00 175.26 177.86 1de1 n LYS 40 N -0.33 0.09 -1.61 1.61 4.01 -1.26 -3.48 118.16 117.19 1de1 n LYS 40 Ca 0.02 0.24 -0.03 0.00 -0.51 0.00 0.00 58.31 58.03 1de1 n LYS 40 Cb 0.66 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.70 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1de1 n GLY 41 N -0.61 0.72 3.15 0.72 0.00 -1.26 -4.90 105.19 103.01 1de1 n GLY 41 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1de1 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de1 s VAL 42 N 0.05 -0.23 0.88 1.61 1.01 -1.23 -5.14 120.40 117.35 1de1 s VAL 42 Ca 0.03 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1de1 s VAL 42 Cb 0.16 -0.52 0.12 0.00 0.00 0.00 0.00 36.38 36.15 1de1 s VAL 42 CO -0.05 0.07 1.15 -0.36 0.00 0.00 0.00 175.10 175.91 1de1 s PHE 43 N 1.82 2.63 -0.38 5.22 0.08 -1.26 -2.56 117.98 123.53 1de1 s PHE 43 Ca -0.06 0.83 -0.14 0.00 0.12 0.00 0.00 56.93 57.68 1de1 s PHE 43 Cb -0.10 -3.41 0.01 0.00 -0.57 0.00 0.00 43.02 38.94 1de1 s PHE 43 CO -0.11 -2.21 0.28 0.34 -0.10 0.00 0.00 175.22 173.43 1de1 s ASP 44 N -4.17 6.09 0.45 1.36 -1.08 -0.69 -4.56 116.67 114.08 1de1 s ASP 44 Ca 0.63 -0.71 0.18 0.00 -0.52 0.00 0.00 52.55 52.13 1de1 s ASP 44 Cb -0.14 -2.15 1.14 0.00 -1.46 0.00 0.00 42.92 40.31 1de1 s ASP 44 CO 0.52 -0.37 1.94 -0.78 0.52 0.00 0.00 175.17 177.00 1de1 h ASP 45 N 8.58 0.29 0.10 -0.34 1.82 -1.95 0.20 116.42 125.12 1de1 h ASP 45 Ca -0.29 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.36 1de1 h ASP 45 Cb 1.13 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1de1 h ASP 45 CO 0.70 0.15 -0.05 -0.33 -1.61 0.00 0.00 179.24 178.10 1de1 h GLU 46 N 0.31 -0.13 -0.47 0.28 5.08 -1.98 0.44 114.58 118.10 1de1 h GLU 46 Ca 0.34 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1de1 h GLU 46 Cb 0.88 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1de1 h GLU 46 CO -0.09 0.14 0.11 0.87 -1.00 0.00 0.00 179.01 179.04 1de1 h LYS 47 N -0.40 0.75 -0.43 2.33 1.79 -1.65 0.27 116.57 119.23 1de1 h LYS 47 Ca -0.01 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.21 1de1 h LYS 47 Cb 0.33 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1de1 h LYS 47 CO 0.02 0.74 -0.01 0.82 -1.08 0.00 0.00 179.45 179.94 1de1 h ILE 48 N 0.63 1.23 0.47 1.86 5.03 -0.60 0.32 117.51 126.45 1de1 h ILE 48 Ca 0.15 -0.95 -0.02 0.00 -0.12 0.00 0.00 64.86 63.91 1de1 h ILE 48 Cb 0.33 0.92 0.00 0.00 -3.03 0.00 0.00 36.82 35.04 1de1 h ILE 48 CO 0.00 0.33 -0.23 0.00 -0.68 0.00 0.00 178.15 177.58 1de1 h ALA 49 N 1.33 -0.63 -0.55 1.87 0.00 0.23 -2.67 119.26 118.85 1de1 h ALA 49 Ca 0.13 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1de1 h ALA 49 Cb 0.42 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1de1 h ALA 49 CO 0.02 -0.63 0.36 1.05 0.00 0.00 0.00 179.25 180.04 1de1 h GLU 50 N -1.08 0.59 0.05 0.00 4.11 -0.95 -2.32 114.58 114.98 1de1 h GLU 50 Ca -0.06 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1de1 h GLU 50 Cb 0.56 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1de1 h GLU 50 CO 0.11 0.39 -0.09 1.25 0.07 0.00 0.00 179.01 180.73 1de1 h LEU 51 N 0.61 -0.26 -0.66 3.06 5.85 -0.93 0.56 115.31 123.54 1de1 h LEU 51 Ca 0.22 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.10 1de1 h LEU 51 Cb 0.12 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 1de1 h LEU 51 CO -0.06 -0.14 0.19 -0.07 -0.34 0.00 0.00 178.44 178.02 1de1 h LEU 52 N -0.18 0.11 -0.66 2.25 3.38 -1.05 0.19 115.31 119.34 1de1 h LEU 52 Ca 0.02 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1de1 h LEU 52 Cb 0.20 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1de1 h LEU 52 CO -0.06 0.05 -0.47 0.74 0.09 0.00 0.00 178.44 178.79 1de1 h THR 53 N 0.33 1.32 0.00 0.22 2.02 -1.24 -2.74 112.91 112.82 1de1 h THR 53 Ca 0.35 -1.68 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 1de1 h THR 53 Cb 0.52 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1de1 h THR 53 CO -0.40 0.52 -0.21 0.11 0.37 0.00 0.00 175.52 175.90 1de1 h LYS 54 N 0.38 0.00 0.00 6.66 1.79 0.24 -3.25 116.57 122.39 1de1 h LYS 54 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1de1 h LYS 54 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1de1 h LYS 54 CO 0.09 0.21 0.00 1.28 -1.08 0.00 0.00 179.45 179.95 1de1 n LEU 55 N -4.28 0.01 0.00 2.94 4.77 0.45 -4.79 117.00 116.09 1de1 n LEU 55 Ca -0.02 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1de1 n LEU 55 Cb 0.27 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1de1 n LEU 55 CO 0.37 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1de1 n GLY 56 N 0.15 2.58 0.00 -0.72 0.00 -1.16 -4.87 105.19 101.17 1de1 n GLY 56 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.20 -0.07 1.61 5.12 -1.26 -5.00 116.66 118.25 1de1 n ARG 57 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1de1 n ARG 57 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1de1 n ASP 58 N -2.58 0.46 -4.80 0.55 5.68 -1.26 -4.53 116.55 110.06 1de1 n ASP 58 Ca 0.00 0.13 -0.22 0.00 -0.50 0.00 0.00 54.79 54.19 1de1 n ASP 58 Cb 0.00 0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 40.46 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de1 s THR 59 N -2.53 2.88 -0.51 2.12 -1.32 -1.26 -4.99 115.64 110.03 1de1 s THR 59 Ca -0.10 -1.52 -0.11 0.00 -1.21 0.00 0.00 61.69 58.74 1de1 s THR 59 Cb 0.07 -3.03 0.13 0.00 -1.51 0.00 0.00 72.50 68.16 1de1 s THR 59 CO 0.81 -0.09 0.41 -1.10 -2.21 0.00 0.00 174.62 172.44 1de1 s GLN 60 N -3.97 2.67 -1.08 7.08 -0.21 -1.26 -4.99 119.66 117.90 1de1 s GLN 60 Ca 0.42 -1.79 -0.26 0.00 0.02 0.00 0.00 55.36 53.76 1de1 s GLN 60 Cb -0.02 -4.06 -0.18 0.00 1.00 0.00 0.00 33.01 29.75 1de1 s GLN 60 CO 0.25 -1.24 2.10 -1.50 -2.12 0.00 0.00 175.29 172.78 1de1 s ILE 61 N 1.37 3.16 -1.69 1.08 1.10 -1.26 -3.46 121.20 121.49 1de1 s ILE 61 Ca 0.05 -0.25 0.00 0.00 -0.51 0.00 0.00 60.65 59.94 1de1 s ILE 61 Cb -0.27 -4.05 0.00 0.00 0.15 0.00 0.00 42.46 38.30 1de1 s ILE 61 CO 0.00 -0.29 0.00 0.61 -2.11 0.00 0.00 174.94 173.15 1de1 n GLY 62 N 6.15 0.93 3.77 1.50 0.00 -1.26 -4.91 105.19 111.37 1de1 n GLY 62 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.77 4.35 0.30 0.99 1.98 -1.22 -5.03 118.68 115.27 1de1 s LEU 63 Ca 0.00 2.76 0.06 0.00 -2.89 0.00 0.00 54.13 54.06 1de1 s LEU 63 Cb 0.00 -3.72 -0.06 0.00 0.66 0.00 0.00 46.19 43.07 1de1 s LEU 63 CO 0.00 -0.70 -0.03 -0.89 -1.89 0.00 0.00 176.35 172.84 1de1 s THR 64 N -1.17 1.62 0.12 3.68 2.01 -1.26 -5.06 115.64 115.58 1de1 s THR 64 Ca 0.52 -2.09 0.04 0.00 0.31 0.00 0.00 61.69 60.47 1de1 s THR 64 Cb -0.41 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1de1 s THR 64 CO 0.54 -0.21 0.10 -0.04 -0.69 0.00 0.00 174.62 174.33 1de1 s MET 65 N -3.75 2.88 0.32 4.92 1.00 -1.26 -3.92 119.30 119.48 1de1 s MET 65 Ca 0.32 -0.77 -0.25 0.00 0.00 0.00 0.00 55.69 54.98 1de1 s MET 65 Cb 0.05 -2.68 -0.10 0.00 0.00 0.00 0.00 34.83 32.10 1de1 s MET 65 CO 0.13 0.53 0.91 -2.14 0.00 0.00 0.00 175.02 174.46 1de1 s PRO 66 N -2.71 4.51 -0.28 2.03 0.02 -1.26 -4.96 135.00 132.35 1de1 s PRO 66 Ca 0.30 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.45 1de1 s PRO 66 Cb -0.11 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1de1 s PRO 66 CO 0.22 0.27 0.24 -0.65 -0.33 0.00 0.00 177.00 176.75 1de1 s GLN 67 N -2.12 3.92 0.34 5.54 -0.21 0.21 -4.37 119.66 122.96 1de1 s GLN 67 Ca 0.50 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.65 1de1 s GLN 67 Cb -0.18 -3.67 -0.02 0.00 1.00 0.00 0.00 33.01 30.14 1de1 s GLN 67 CO 0.23 -0.23 0.50 0.08 -2.12 0.00 0.00 175.29 173.75 1de1 s VAL 68 N 1.83 4.56 -0.02 1.09 1.01 -0.37 0.16 120.40 128.67 1de1 s VAL 68 Ca 0.09 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1de1 s VAL 68 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1de1 s VAL 68 CO 0.11 -0.32 0.07 -0.36 0.00 0.00 0.00 175.10 174.60 1de1 s PHE 69 N -2.23 -0.02 0.30 5.22 0.08 0.36 -2.47 117.98 119.21 1de1 s PHE 69 Ca 0.42 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.24 1de1 s PHE 69 Cb -0.09 -0.01 -0.13 0.00 -0.57 0.00 0.00 43.02 42.21 1de1 s PHE 69 CO 0.33 -0.09 1.30 0.00 -0.10 0.00 0.00 175.22 176.66 1de1 n ALA 70 N 2.63 1.04 -0.26 5.36 0.00 0.18 -1.90 120.51 127.58 1de1 n ALA 70 Ca -0.15 0.38 0.33 0.00 0.00 0.00 0.00 53.44 54.00 1de1 n ALA 70 Cb 0.58 -2.23 0.70 0.00 0.00 0.00 0.00 19.45 18.50 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N 3.13 0.00 0.00 0.00 0.11 -1.89 -3.06 132.00 130.29 1de1 h PRO 71 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1de1 h PRO 71 Cb 1.29 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1de1 h PRO 71 CO 0.67 0.00 -0.21 -0.25 -0.21 0.00 0.00 178.00 178.00 1de1 n ASP 72 N -3.85 -1.01 0.00 -2.05 8.00 -1.26 -3.50 116.55 112.88 1de1 n ASP 72 Ca 0.23 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1de1 n ASP 72 Cb 1.26 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de1 n GLY 73 N -0.84 2.65 2.74 0.44 0.00 -1.16 -5.18 105.19 103.86 1de1 n GLY 73 Ca -0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de1 n SER 74 N 0.00 0.23 -4.68 1.61 3.41 -1.26 -4.78 113.62 108.15 1de1 n SER 74 Ca 0.00 -2.83 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 1de1 n SER 74 Cb 0.00 1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 1de1 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1de1 s HIS 75 N -3.00 1.75 -0.12 7.33 2.46 -1.26 0.50 115.29 122.95 1de1 s HIS 75 Ca 0.26 -0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.37 1de1 s HIS 75 Cb 0.01 -4.21 -0.26 0.00 -0.13 0.00 0.00 32.58 27.99 1de1 s HIS 75 CO 0.18 -5.19 0.56 0.82 -2.47 0.00 0.00 174.74 168.64 1de1 h ILE 76 N 5.13 1.16 0.00 0.89 2.04 -1.80 -3.46 117.51 121.47 1de1 h ILE 76 Ca -0.48 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1de1 h ILE 76 Cb 1.23 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 1de1 h ILE 76 CO 0.94 0.63 0.00 0.61 0.00 0.00 0.00 178.15 180.33 1de1 n GLY 77 N 1.67 0.45 0.00 5.37 0.00 -1.23 -4.57 105.19 106.87 1de1 n GLY 77 Ca -0.23 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.46 0.00 -0.02 0.00 -1.26 -1.23 105.19 104.14 1de1 n GLY 78 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.08 1.61 7.35 -1.26 -1.88 117.46 123.20 1de1 n PHE 79 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1de1 n PHE 79 Cb 0.00 -0.47 -0.00 0.00 0.35 0.00 0.00 39.48 39.36 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de1 h ASP 80 N 0.00 -0.07 -0.83 -2.13 1.82 -1.97 0.87 116.42 114.11 1de1 h ASP 80 Ca 0.00 0.06 0.16 0.00 -0.39 0.00 0.00 57.03 56.86 1de1 h ASP 80 Cb 0.00 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.05 1de1 h ASP 80 CO 0.00 -0.00 0.55 1.56 -1.61 0.00 0.00 179.24 179.74 1de1 h GLN 81 N 0.11 0.46 0.02 0.28 4.20 -1.93 0.67 115.11 118.92 1de1 h GLN 81 Ca 0.14 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.57 1de1 h GLN 81 Cb 0.17 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1de1 h GLN 81 CO -0.21 0.31 -1.27 1.25 -0.67 0.00 0.00 178.83 178.23 1de1 h LEU 82 N 0.48 0.06 -1.69 1.46 6.46 -0.34 -3.27 115.31 118.46 1de1 h LEU 82 Ca 0.42 -0.07 0.25 0.00 -0.12 0.00 0.00 57.88 58.35 1de1 h LEU 82 Cb 0.92 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1de1 h LEU 82 CO -0.16 1.06 0.65 -0.09 -0.62 0.00 0.00 178.44 179.28 1de1 h ARG 83 N 0.01 0.22 -0.31 1.25 2.43 0.31 1.61 114.38 119.91 1de1 h ARG 83 Ca -0.12 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1de1 h ARG 83 Cb 1.87 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.36 1de1 h ARG 83 CO 0.12 0.15 -0.15 0.93 -1.51 0.00 0.00 179.97 179.50 1de1 h GLU 84 N 0.23 0.54 -0.40 0.20 5.08 -1.55 1.10 114.58 119.78 1de1 h GLU 84 Ca 0.49 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1de1 h GLU 84 Cb 1.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1de1 h GLU 84 CO -0.13 0.68 0.09 -0.92 -1.00 0.00 0.00 179.01 177.73 1de1 h TYR 85 N 0.50 0.60 0.00 4.33 5.03 0.22 -2.06 116.97 125.58 1de1 h TYR 85 Ca 0.09 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de1 h TYR 85 Cb 0.56 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.65 1de1 h TYR 85 CO 0.02 0.53 -0.85 1.19 -1.32 0.00 0.00 178.16 177.73 1de1 n PHE 86 N -4.32 0.27 0.70 -3.82 3.72 -0.61 -5.13 117.46 108.27 1de1 n PHE 86 Ca 0.02 0.08 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 1de1 n PHE 86 Cb 0.20 -0.43 0.07 0.00 -0.94 0.00 0.00 39.48 38.37 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34