#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.70 -0.24 1.12 0.08 -1.03 -3.20 117.98 118.41 1de2 s PHE 2 Ca 0.00 1.79 -0.06 0.00 0.12 0.00 0.00 56.93 58.78 1de2 s PHE 2 Cb 0.00 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 1de2 s PHE 2 CO 0.00 0.12 0.03 0.15 -0.10 0.00 0.00 175.22 175.42 1de2 s LYS 3 N -1.88 3.56 -0.20 0.44 3.01 -0.83 0.37 119.74 124.21 1de2 s LYS 3 Ca 0.49 -0.53 -0.07 0.00 -1.01 0.00 0.00 55.97 54.85 1de2 s LYS 3 Cb -0.21 -3.21 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 1de2 s LYS 3 CO 0.27 -0.19 0.07 0.08 0.51 0.00 0.00 175.35 176.09 1de2 s VAL 4 N 1.55 4.65 -0.51 3.17 1.01 -1.00 0.17 120.40 129.44 1de2 s VAL 4 Ca 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1de2 s VAL 4 Cb -0.15 -3.12 0.13 0.00 0.00 0.00 0.00 36.38 33.24 1de2 s VAL 4 CO 0.01 0.42 0.43 -0.31 0.00 0.00 0.00 175.10 175.65 1de2 s TYR 5 N 0.77 3.36 0.00 5.22 1.51 0.46 -1.34 117.35 127.33 1de2 s TYR 5 Ca 0.04 -1.65 0.00 0.00 -1.01 0.00 0.00 57.07 54.45 1de2 s TYR 5 Cb -0.13 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 1de2 s TYR 5 CO 0.02 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de2 n GLY 6 N 5.00 3.72 3.56 0.71 0.00 -1.11 0.12 105.19 117.19 1de2 n GLY 6 Ca -0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N -0.08 2.49 0.00 1.61 2.02 -1.26 -2.80 117.35 119.33 1de2 s TYR 7 Ca 0.00 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1de2 s TYR 7 Cb 0.00 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1de2 s TYR 7 CO 0.00 0.65 0.00 -0.25 -1.57 0.00 0.00 175.55 174.38 1de2 n ASP 8 N -0.78 0.00 0.00 2.29 9.92 -1.26 -4.98 116.55 121.75 1de2 n ASP 8 Ca -0.05 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1de2 n ASP 8 Cb 0.60 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de2 n SER 9 N -0.84 0.00 0.13 -2.24 2.88 -1.24 -4.92 113.62 107.39 1de2 n SER 9 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1de2 n SER 9 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de2 h ASN 10 N 0.00 0.00 0.11 -3.46 4.21 -2.00 -3.36 115.58 111.08 1de2 h ASN 10 Ca 0.00 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.14 1de2 h ASN 10 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1de2 h ASN 10 CO 0.00 0.29 -2.12 -0.38 -1.29 0.00 0.00 177.43 173.94 1de2 n ILE 11 N -3.00 1.68 -3.65 2.81 -0.00 -1.26 -5.00 119.36 110.95 1de2 n ILE 11 Ca -0.01 -0.65 -0.15 0.00 -0.00 0.00 0.00 62.75 61.94 1de2 n ILE 11 Cb 0.67 -1.57 -0.08 0.00 -0.00 0.00 0.00 39.64 38.67 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de2 s HIS 12 N -2.55 -0.55 0.75 1.39 2.46 -1.26 -4.68 115.29 110.85 1de2 s HIS 12 Ca -0.24 1.16 -0.12 0.00 0.47 0.00 0.00 55.06 56.33 1de2 s HIS 12 Cb 0.07 0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.82 1de2 s HIS 12 CO 0.73 -0.41 1.11 0.21 -2.47 0.00 0.00 174.74 173.91 1de2 s LYS 13 N -0.47 2.27 0.00 2.88 2.20 -1.26 -3.60 119.74 121.76 1de2 s LYS 13 Ca -0.06 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1de2 s LYS 13 Cb -0.03 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1de2 s LYS 13 CO 0.04 -1.65 0.00 0.00 -0.36 0.00 0.00 175.35 173.38 1de2 n VAL 15 N 0.00 1.73 0.24 0.00 0.24 -1.26 -4.06 118.33 115.22 1de2 n VAL 15 Ca 0.00 -0.70 0.08 0.00 -2.04 0.00 0.00 64.34 61.67 1de2 n VAL 15 Cb 0.00 -1.51 0.60 0.00 -1.47 0.00 0.00 33.84 31.46 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N 0.05 0.00 -0.28 6.34 0.05 -1.99 -2.51 116.97 118.64 1de2 h TYR 16 Ca -0.38 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.42 1de2 h TYR 16 Cb 2.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.74 1de2 h TYR 16 CO 0.05 0.10 0.11 0.00 -1.05 0.00 0.00 178.16 177.38 1de2 h ASP 18 N 0.24 0.00 0.25 0.00 5.19 -1.64 -2.39 116.42 118.07 1de2 h ASP 18 Ca 0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1de2 h ASP 18 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1de2 h ASP 18 CO -0.11 0.02 -0.12 0.78 -3.12 0.00 0.00 179.24 176.69 1de2 h ASN 19 N 0.00 -0.29 -0.30 6.45 2.35 -1.23 -3.00 115.58 119.57 1de2 h ASN 19 Ca -0.00 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1de2 h ASN 19 Cb 0.04 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1de2 h ASN 19 CO 0.00 0.22 0.31 0.00 -1.65 0.00 0.00 177.43 176.31 1de2 h ALA 20 N -0.72 1.99 0.48 -0.83 0.00 -1.23 0.56 119.26 119.51 1de2 h ALA 20 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1de2 h ALA 20 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1de2 h ALA 20 CO 0.06 -0.46 -0.23 -0.22 0.00 0.00 0.00 179.25 178.40 1de2 h LYS 21 N 0.00 -0.62 0.00 0.00 3.64 -1.45 -2.88 116.57 115.26 1de2 h LYS 21 Ca 0.14 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1de2 h LYS 21 Cb 0.75 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1de2 h LYS 21 CO -0.00 -0.33 -0.14 0.00 -2.27 0.00 0.00 179.45 176.71 1de2 h ARG 22 N -1.06 0.00 0.33 1.90 3.08 -1.26 -2.85 114.38 114.51 1de2 h ARG 22 Ca -0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1de2 h ARG 22 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1de2 h ARG 22 CO 0.11 0.14 -0.35 1.25 -1.07 0.00 0.00 179.97 180.04 1de2 h LEU 23 N 0.00 -0.95 -1.01 3.04 6.46 -0.87 -0.13 115.31 121.85 1de2 h LEU 23 Ca -0.00 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1de2 h LEU 23 Cb 0.26 0.33 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1de2 h LEU 23 CO 0.02 -0.49 0.65 -0.07 -0.62 0.00 0.00 178.44 177.93 1de2 h LEU 24 N -0.71 1.04 -1.51 2.25 3.38 -1.29 -0.32 115.31 118.16 1de2 h LEU 24 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1de2 h LEU 24 Cb 0.65 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1de2 h LEU 24 CO -0.08 0.66 0.33 0.74 0.09 0.00 0.00 178.44 180.19 1de2 h THR 25 N 1.18 1.13 0.10 0.22 2.02 -1.21 -2.16 112.91 114.19 1de2 h THR 25 Ca 0.44 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1de2 h THR 25 Cb 0.17 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1de2 h THR 25 CO -0.17 0.13 -0.05 0.58 0.37 0.00 0.00 175.52 176.37 1de2 h VAL 26 N 0.67 0.97 0.00 3.16 2.07 0.76 -2.47 116.25 121.42 1de2 h VAL 26 Ca 0.18 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1de2 h VAL 26 Cb -0.07 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1de2 h VAL 26 CO -0.04 0.06 0.00 0.50 0.02 0.00 0.00 177.57 178.12 1de2 h LYS 27 N -0.26 0.00 -2.22 1.57 3.64 -1.21 -3.46 116.57 114.63 1de2 h LYS 27 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1de2 h LYS 27 Cb 0.21 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1de2 h LYS 27 CO 0.02 0.00 -0.15 1.17 -2.27 0.00 0.00 179.45 178.23 1de2 n LYS 28 N -2.57 -1.59 -5.28 1.90 0.00 -0.85 -5.06 118.16 104.71 1de2 n LYS 28 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 58.31 58.18 1de2 n LYS 28 Cb 0.18 -3.21 -0.16 0.00 0.00 0.00 0.00 35.03 31.85 1de2 n LYS 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1de2 s GLN 29 N -5.00 2.22 0.67 1.64 2.00 -0.98 -5.05 119.66 115.16 1de2 s GLN 29 Ca 0.09 -0.91 -0.12 0.00 -2.00 0.00 0.00 55.36 52.41 1de2 s GLN 29 Cb -0.04 -2.06 -0.00 0.00 0.80 0.00 0.00 33.01 31.71 1de2 s GLN 29 CO 0.15 0.50 1.06 -1.25 -0.50 0.00 0.00 175.29 175.25 1de2 s PRO 30 N -0.47 3.01 0.27 1.67 0.04 -1.26 -4.45 135.00 133.80 1de2 s PRO 30 Ca 0.06 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 1de2 s PRO 30 Cb -0.11 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1de2 s PRO 30 CO 0.00 -1.05 0.78 -0.59 0.04 0.00 0.00 177.00 176.18 1de2 s PHE 31 N -2.84 -0.14 -0.04 0.56 -0.12 -1.26 -2.47 117.98 111.67 1de2 s PHE 31 Ca 0.60 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 57.16 1de2 s PHE 31 Cb -0.15 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1de2 s PHE 31 CO 0.49 -1.19 0.08 -1.21 -0.05 0.00 0.00 175.22 173.34 1de2 s GLU 32 N -3.61 0.02 0.44 1.99 2.02 0.16 -4.79 118.70 114.93 1de2 s GLU 32 Ca 0.12 0.26 -0.04 0.00 0.02 0.00 0.00 54.97 55.32 1de2 s GLU 32 Cb -0.05 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.94 1de2 s GLU 32 CO 0.07 -0.16 0.72 0.12 0.02 0.00 0.00 175.26 176.03 1de2 s PHE 33 N 1.03 3.54 -0.13 1.61 5.36 -1.26 -2.38 117.98 125.75 1de2 s PHE 33 Ca -0.08 0.70 -0.05 0.00 -0.96 0.00 0.00 56.93 56.54 1de2 s PHE 33 Cb -0.11 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.43 1de2 s PHE 33 CO -0.04 -0.16 0.26 0.42 -1.46 0.00 0.00 175.22 174.25 1de2 s ILE 34 N -2.60 -0.41 -0.39 3.12 1.01 -0.45 -4.86 121.20 116.62 1de2 s ILE 34 Ca 0.46 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 61.18 1de2 s ILE 34 Cb -0.10 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.94 1de2 s ILE 34 CO 0.42 0.12 0.62 0.54 0.00 0.00 0.00 174.94 176.64 1de2 s ASN 35 N 2.41 6.36 -0.30 3.58 4.22 -1.26 -2.74 114.94 127.20 1de2 s ASN 35 Ca 0.01 -0.11 -0.04 0.00 -2.14 0.00 0.00 52.86 50.58 1de2 s ASN 35 Cb -0.12 -2.32 -0.04 0.00 1.28 0.00 0.00 41.25 40.06 1de2 s ASN 35 CO -0.08 -0.67 3.01 0.00 -2.04 0.00 0.00 177.10 177.31 1de2 n ILE 36 N 5.70 3.19 -3.12 0.54 3.06 -1.12 -4.62 119.36 122.98 1de2 n ILE 36 Ca -0.02 -2.45 0.05 0.00 -2.50 0.00 0.00 62.75 57.83 1de2 n ILE 36 Cb 0.48 -1.71 0.00 0.00 0.54 0.00 0.00 39.64 38.95 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -2.50 0.00 0.00 176.55 173.73 1de2 s MET 37 N -0.85 0.25 0.41 9.51 1.75 -1.26 -3.06 119.30 126.05 1de2 s MET 37 Ca 0.60 0.20 0.13 0.00 -1.25 0.00 0.00 55.69 55.36 1de2 s MET 37 Cb 0.35 0.10 0.87 0.00 2.84 0.00 0.00 34.83 38.99 1de2 s MET 37 CO -0.14 -0.46 1.92 -1.00 -0.65 0.00 0.00 175.02 174.69 1de2 h PRO 38 N 7.24 0.03 -4.01 4.11 0.13 -1.81 -3.45 132.00 134.25 1de2 h PRO 38 Ca -0.07 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 1de2 h PRO 38 Cb 1.18 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1de2 h PRO 38 CO -0.04 0.28 -0.55 -2.00 -0.23 0.00 0.00 178.00 175.46 1de2 s GLU 39 N -4.49 0.67 0.00 0.86 2.12 -1.06 -5.02 118.70 111.78 1de2 s GLU 39 Ca -0.04 -1.03 0.16 0.00 0.36 0.00 0.00 54.97 54.43 1de2 s GLU 39 Cb 0.15 0.25 0.76 0.00 0.26 0.00 0.00 34.13 35.56 1de2 s GLU 39 CO 0.71 -0.17 1.50 0.36 -0.54 0.00 0.00 175.26 177.12 1de2 n LYS 40 N 0.22 0.12 -0.01 4.30 2.85 -1.26 -2.49 118.16 121.90 1de2 n LYS 40 Ca -0.16 0.17 0.06 0.00 -1.05 0.00 0.00 58.31 57.34 1de2 n LYS 40 Cb 0.61 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.38 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1de2 n GLY 41 N 0.14 -0.62 2.76 2.58 0.00 -1.26 -4.97 105.19 103.82 1de2 n GLY 41 Ca 0.06 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1de2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de2 s VAL 42 N -2.93 -0.14 0.76 1.61 1.01 -1.04 -5.15 120.40 114.53 1de2 s VAL 42 Ca -0.05 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1de2 s VAL 42 Cb 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.32 1de2 s VAL 42 CO 0.56 0.14 1.08 -0.36 0.00 0.00 0.00 175.10 176.53 1de2 s PHE 43 N 1.92 2.84 -1.06 5.22 0.08 -1.26 -2.56 117.98 123.16 1de2 s PHE 43 Ca 0.01 1.35 -0.20 0.00 0.12 0.00 0.00 56.93 58.21 1de2 s PHE 43 Cb -0.12 -3.01 0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1de2 s PHE 43 CO -0.04 -1.62 1.40 0.34 -0.10 0.00 0.00 175.22 175.20 1de2 s ASP 44 N -3.71 6.65 0.60 1.36 -1.08 -1.17 -4.69 116.67 114.63 1de2 s ASP 44 Ca 0.60 -1.94 0.31 0.00 -0.52 0.00 0.00 52.55 51.00 1de2 s ASP 44 Cb -0.15 -2.51 1.87 0.00 -1.46 0.00 0.00 42.92 40.68 1de2 s ASP 44 CO 0.55 -1.25 2.26 0.44 0.52 0.00 0.00 175.17 177.70 1de2 h ASP 45 N 8.90 0.00 0.57 -0.34 5.19 -1.92 -0.83 116.42 127.97 1de2 h ASP 45 Ca 0.24 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1de2 h ASP 45 Cb 0.98 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.49 1de2 h ASP 45 CO 1.32 0.00 -0.27 -0.08 -3.12 0.00 0.00 179.24 177.09 1de2 h GLU 46 N 0.00 -0.73 -0.21 3.56 4.57 -2.00 -0.74 114.58 119.03 1de2 h GLU 46 Ca 0.00 0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1de2 h GLU 46 Cb 0.01 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1de2 h GLU 46 CO -0.00 -0.47 -0.32 0.87 -1.18 0.00 0.00 179.01 177.92 1de2 h LYS 47 N -0.81 0.59 -1.00 1.92 1.79 -1.91 -3.01 116.57 114.14 1de2 h LYS 47 Ca -0.08 -0.35 0.22 0.00 -2.18 0.00 0.00 60.65 58.26 1de2 h LYS 47 Cb 0.60 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.19 1de2 h LYS 47 CO 0.13 0.96 0.62 0.82 -1.08 0.00 0.00 179.45 180.90 1de2 h ILE 48 N 0.27 0.63 0.64 1.86 2.04 -1.14 0.63 117.51 122.45 1de2 h ILE 48 Ca 0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1de2 h ILE 48 Cb 0.90 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1de2 h ILE 48 CO 0.07 0.11 -0.31 0.00 0.00 0.00 0.00 178.15 178.02 1de2 h ALA 49 N 1.64 -0.86 -0.00 1.87 0.00 -1.02 -2.56 119.26 118.33 1de2 h ALA 49 Ca 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1de2 h ALA 49 Cb 1.14 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1de2 h ALA 49 CO -0.34 -0.82 -0.01 1.05 0.00 0.00 0.00 179.25 179.13 1de2 h GLU 50 N -1.18 0.00 -0.08 0.00 4.11 -1.28 -2.16 114.58 114.00 1de2 h GLU 50 Ca -0.09 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1de2 h GLU 50 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1de2 h GLU 50 CO 0.14 0.02 -0.03 1.25 0.07 0.00 0.00 179.01 180.46 1de2 h LEU 51 N 0.00 -0.10 -0.38 3.06 6.46 0.34 0.53 115.31 125.23 1de2 h LEU 51 Ca 0.00 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1de2 h LEU 51 Cb 0.02 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 1de2 h LEU 51 CO 0.00 -0.04 0.05 -0.07 -0.62 0.00 0.00 178.44 177.76 1de2 h LEU 52 N -0.02 -0.05 -0.97 2.25 3.38 -0.97 0.15 115.31 119.09 1de2 h LEU 52 Ca 0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1de2 h LEU 52 Cb 0.08 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1de2 h LEU 52 CO -0.09 0.01 -0.14 0.74 0.09 0.00 0.00 178.44 179.05 1de2 h THR 53 N 0.16 1.25 -0.48 0.22 2.02 -1.33 -2.70 112.91 112.06 1de2 h THR 53 Ca 0.18 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1de2 h THR 53 Cb 0.23 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1de2 h THR 53 CO -0.26 0.37 -0.02 0.11 0.37 0.00 0.00 175.52 176.09 1de2 h LYS 54 N 0.53 0.80 0.27 6.66 1.79 0.13 -3.28 116.57 123.47 1de2 h LYS 54 Ca 0.09 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1de2 h LYS 54 Cb 0.56 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1de2 h LYS 54 CO 0.04 0.82 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.02 1de2 h LEU 55 N 0.74 -0.31 0.00 2.94 3.38 -0.42 -3.44 115.31 118.20 1de2 h LEU 55 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1de2 h LEU 55 Cb 0.47 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1de2 h LEU 55 CO 0.02 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.95 1de2 n GLY 56 N -1.14 0.34 0.00 0.83 0.00 -1.15 -4.92 105.19 99.16 1de2 n GLY 56 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 1.59 -0.03 1.61 0.63 -1.25 -5.02 116.66 114.19 1de2 n ARG 57 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1de2 n ARG 57 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1de2 n ASP 58 N -1.05 0.93 -4.80 6.15 2.03 -1.26 -4.20 116.55 114.35 1de2 n ASP 58 Ca 0.00 0.33 -0.23 0.00 0.52 0.00 0.00 54.79 55.41 1de2 n ASP 58 Cb 0.00 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1de2 s THR 59 N -2.58 2.45 -0.39 5.18 -1.32 -1.26 -4.94 115.64 112.78 1de2 s THR 59 Ca -0.08 -1.53 -0.02 0.00 -1.21 0.00 0.00 61.69 58.85 1de2 s THR 59 Cb 0.08 -2.98 0.11 0.00 -1.51 0.00 0.00 72.50 68.19 1de2 s THR 59 CO 0.82 0.00 0.17 0.00 -2.21 0.00 0.00 174.62 173.39 1de2 s GLN 60 N -4.01 1.94 -0.97 7.08 -2.07 -1.26 -4.95 119.66 115.41 1de2 s GLN 60 Ca 0.44 -1.80 -0.25 0.00 -1.82 0.00 0.00 55.36 51.93 1de2 s GLN 60 Cb 0.01 -3.50 -0.21 0.00 -1.09 0.00 0.00 33.01 28.22 1de2 s GLN 60 CO 0.25 -1.03 2.13 0.44 -1.32 0.00 0.00 175.29 175.77 1de2 n ILE 61 N 4.54 0.00 -1.62 3.63 -0.00 -1.26 -2.89 119.36 121.77 1de2 n ILE 61 Ca -0.02 -0.14 -0.19 0.00 -0.00 0.00 0.00 62.75 62.41 1de2 n ILE 61 Cb 0.42 -1.88 -0.07 0.00 -0.00 0.00 0.00 39.64 38.10 1de2 n ILE 61 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de2 n GLY 62 N 6.20 1.60 3.73 3.28 0.00 -1.26 -4.95 105.19 113.79 1de2 n GLY 62 Ca 0.41 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1de2 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de2 s LEU 63 N -4.33 4.51 0.25 0.99 1.98 -1.14 -5.05 118.68 115.89 1de2 s LEU 63 Ca 0.00 1.81 0.01 0.00 -2.89 0.00 0.00 54.13 53.06 1de2 s LEU 63 Cb 0.00 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.22 1de2 s LEU 63 CO 0.00 -0.05 0.12 0.42 -1.89 0.00 0.00 176.35 174.95 1de2 s THR 64 N -0.10 0.30 0.35 3.68 -4.23 -1.26 -4.96 115.64 109.42 1de2 s THR 64 Ca 0.46 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1de2 s THR 64 Cb -0.24 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1de2 s THR 64 CO 0.30 0.00 0.64 -0.04 -0.54 0.00 0.00 174.62 174.99 1de2 s MET 65 N -4.03 3.66 0.33 3.99 -1.94 -1.26 -4.10 119.30 115.95 1de2 s MET 65 Ca 0.38 0.15 -0.27 0.00 -1.71 0.00 0.00 55.69 54.24 1de2 s MET 65 Cb 0.07 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 1de2 s MET 65 CO 0.14 0.09 1.05 -2.14 -0.01 0.00 0.00 175.02 174.15 1de2 s PRO 66 N -3.82 4.44 -0.28 2.03 0.02 -1.26 -5.03 135.00 131.09 1de2 s PRO 66 Ca 0.46 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 63.04 1de2 s PRO 66 Cb -0.10 -2.87 0.02 0.00 0.02 0.00 0.00 34.50 31.57 1de2 s PRO 66 CO 0.32 0.08 0.02 -0.65 -0.33 0.00 0.00 177.00 176.44 1de2 s GLN 67 N -1.96 2.85 0.49 5.54 -0.21 0.31 -4.15 119.66 122.54 1de2 s GLN 67 Ca 0.51 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.85 1de2 s GLN 67 Cb -0.26 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 1de2 s GLN 67 CO 0.33 -0.48 0.78 0.08 -2.12 0.00 0.00 175.29 173.88 1de2 s VAL 68 N 1.39 4.66 -0.04 1.09 1.01 0.28 0.17 120.40 128.95 1de2 s VAL 68 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1de2 s VAL 68 Cb -0.18 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1de2 s VAL 68 CO -0.01 -0.74 0.11 -0.36 0.00 0.00 0.00 175.10 174.11 1de2 s PHE 69 N -2.75 -0.12 0.19 5.22 0.08 0.13 -2.64 117.98 118.09 1de2 s PHE 69 Ca 0.48 0.31 -0.33 0.00 0.12 0.00 0.00 56.93 57.51 1de2 s PHE 69 Cb -0.10 0.03 -0.14 0.00 -0.57 0.00 0.00 43.02 42.23 1de2 s PHE 69 CO 0.44 -0.07 1.43 0.00 -0.10 0.00 0.00 175.22 176.92 1de2 n ALA 70 N 3.13 0.76 0.31 5.36 0.00 0.14 -1.96 120.51 128.26 1de2 n ALA 70 Ca -0.14 0.44 0.17 0.00 0.00 0.00 0.00 53.44 53.92 1de2 n ALA 70 Cb 0.58 -2.25 0.90 0.00 0.00 0.00 0.00 19.45 18.68 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N 4.76 0.00 0.00 0.00 0.11 -1.87 -3.06 132.00 131.94 1de2 h PRO 71 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1de2 h PRO 71 Cb 1.28 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 1de2 h PRO 71 CO 0.80 0.00 -0.26 -0.25 -0.21 0.00 0.00 178.00 178.08 1de2 n ASP 72 N -3.04 -1.41 0.00 -2.05 8.00 -1.26 -4.73 116.55 112.06 1de2 n ASP 72 Ca -0.01 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.31 1de2 n ASP 72 Cb 0.33 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N -1.44 2.64 3.35 0.44 0.00 -1.15 -5.19 105.19 103.84 1de2 n GLY 73 Ca -0.18 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de2 s SER 74 N 1.32 2.09 0.10 1.61 0.15 -1.26 -4.79 113.70 112.93 1de2 s SER 74 Ca 0.00 -1.77 -0.33 0.00 0.70 0.00 0.00 55.95 54.54 1de2 s SER 74 Cb 0.00 0.58 -0.13 0.00 -1.71 0.00 0.00 66.02 64.77 1de2 s SER 74 CO 0.00 -1.06 1.70 1.57 1.20 0.00 0.00 173.24 176.66 1de2 n HIS 75 N -0.73 2.38 -0.07 3.44 -0.00 -1.26 0.25 115.22 119.23 1de2 n HIS 75 Ca 0.04 0.12 -0.21 0.00 0.46 0.00 0.00 57.72 58.12 1de2 n HIS 75 Cb 0.63 -2.61 -0.12 0.00 -0.12 0.00 0.00 29.99 27.76 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 4.07 1.62 0.00 3.57 5.41 -1.08 -4.81 119.36 128.14 1de2 n ILE 76 Ca 0.18 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1de2 n ILE 76 Cb 0.31 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 1.91 0.72 0.00 7.39 0.00 -1.21 -4.47 105.19 109.54 1de2 n GLY 77 Ca -0.40 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.59 0.33 -0.02 0.00 -1.26 1.00 105.19 106.83 1de2 n GLY 78 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.72 0.43 1.61 3.57 -1.95 -0.68 116.94 119.20 1de2 h PHE 79 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1de2 h PHE 79 Cb 0.00 0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1de2 h PHE 79 CO 0.00 -0.41 -0.21 0.22 -2.23 0.00 0.00 178.31 175.68 1de2 h ASP 80 N -1.16 -0.49 -0.94 0.41 1.82 -1.98 0.97 116.42 115.05 1de2 h ASP 80 Ca -0.08 -0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.69 1de2 h ASP 80 Cb 0.63 0.13 -0.10 0.00 0.68 0.00 0.00 39.33 40.66 1de2 h ASP 80 CO 0.13 -0.27 0.54 1.56 -1.61 0.00 0.00 179.24 179.59 1de2 h GLN 81 N -0.69 0.72 0.00 0.28 4.20 -1.92 0.68 115.11 118.38 1de2 h GLN 81 Ca -0.06 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1de2 h GLN 81 Cb 0.50 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1de2 h GLN 81 CO 0.10 0.47 -0.81 1.25 -0.67 0.00 0.00 178.83 179.17 1de2 h LEU 82 N 0.74 0.00 -1.50 1.46 6.46 -0.88 -3.21 115.31 118.37 1de2 h LEU 82 Ca 0.52 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.48 1de2 h LEU 82 Cb 0.75 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.61 1de2 h LEU 82 CO -0.36 0.81 0.59 0.03 -0.62 0.00 0.00 178.44 178.88 1de2 h ARG 83 N 0.00 0.41 -0.26 1.25 2.47 0.34 1.57 114.38 120.16 1de2 h ARG 83 Ca -0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1de2 h ARG 83 Cb 1.61 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 1de2 h ARG 83 CO 0.10 0.27 0.17 0.93 0.56 0.00 0.00 179.97 182.00 1de2 h GLU 84 N 0.42 0.34 0.00 0.04 5.08 -1.51 1.58 114.58 120.54 1de2 h GLU 84 Ca 0.46 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1de2 h GLU 84 Cb 1.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1de2 h GLU 84 CO -0.18 0.23 -0.36 -0.92 -1.00 0.00 0.00 179.01 176.79 1de2 h TYR 85 N 0.35 0.00 0.00 4.33 5.03 0.21 -3.37 116.97 123.52 1de2 h TYR 85 Ca 0.09 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1de2 h TYR 85 Cb -0.03 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.25 1de2 h TYR 85 CO 0.00 0.36 0.00 1.19 -1.32 0.00 0.00 178.16 178.39 1de2 n PHE 86 N -3.90 0.00 0.97 -3.82 3.01 0.61 -5.14 117.46 109.19 1de2 n PHE 86 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1de2 n PHE 86 Cb 0.42 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.99 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13