#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 3.23 -0.26 1.12 0.08 -1.00 -3.19 117.98 117.95 1de2 s PHE 2 Ca 0.00 1.63 -0.06 0.00 0.12 0.00 0.00 56.93 58.62 1de2 s PHE 2 Cb 0.00 -3.13 -0.01 0.00 -0.57 0.00 0.00 43.02 39.32 1de2 s PHE 2 CO 0.00 -0.67 0.05 0.15 -0.10 0.00 0.00 175.22 174.65 1de2 s LYS 3 N -2.58 3.37 -0.14 0.44 3.01 -0.37 0.77 119.74 124.25 1de2 s LYS 3 Ca 0.59 -0.66 -0.01 0.00 -1.01 0.00 0.00 55.97 54.88 1de2 s LYS 3 Cb -0.21 -3.26 -0.02 0.00 -1.01 0.00 0.00 37.83 33.32 1de2 s LYS 3 CO 0.27 -0.29 -0.11 0.08 0.51 0.00 0.00 175.35 175.81 1de2 s VAL 4 N 1.54 3.22 -0.48 3.17 1.01 -1.02 0.12 120.40 127.95 1de2 s VAL 4 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1de2 s VAL 4 Cb -0.16 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.97 1de2 s VAL 4 CO 0.01 0.52 0.37 -0.31 0.00 0.00 0.00 175.10 175.69 1de2 s TYR 5 N 0.38 3.36 0.00 5.22 2.02 0.33 -1.27 117.35 127.38 1de2 s TYR 5 Ca -0.09 -1.60 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 1de2 s TYR 5 Cb -0.16 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 1de2 s TYR 5 CO 0.05 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 1de2 n GLY 6 N 5.02 3.56 3.45 0.71 0.00 -1.03 -0.58 105.19 116.31 1de2 n GLY 6 Ca -0.10 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.19 2.35 -1.78 1.61 2.02 -1.26 -2.71 117.35 117.38 1de2 s TYR 7 Ca 0.00 -0.34 0.11 0.00 -0.37 0.00 0.00 57.07 56.47 1de2 s TYR 7 Cb 0.00 -1.15 0.34 0.00 -0.40 0.00 0.00 41.96 40.75 1de2 s TYR 7 CO 0.00 0.52 1.25 -0.40 -1.57 0.00 0.00 175.55 175.35 1de2 n ASP 8 N 0.15 2.19 0.00 2.29 5.75 -1.26 -4.88 116.55 120.79 1de2 n ASP 8 Ca -0.12 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1de2 n ASP 8 Cb 0.56 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1de2 n SER 9 N 0.54 0.00 -0.07 -1.12 2.88 -1.24 -4.86 113.62 109.74 1de2 n SER 9 Ca 0.13 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.47 1de2 n SER 9 Cb 0.38 -0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.71 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de2 h ASN 10 N 0.00 0.08 0.48 -3.46 -0.00 -1.99 -3.40 115.58 107.29 1de2 h ASN 10 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 56.30 55.59 1de2 h ASN 10 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1de2 h ASN 10 CO 0.00 1.39 -1.16 -0.38 -0.00 0.00 0.00 177.43 177.28 1de2 n ILE 11 N -4.37 0.24 -3.66 2.57 2.08 -1.26 -4.95 119.36 110.01 1de2 n ILE 11 Ca -0.25 -0.34 -0.14 0.00 0.56 0.00 0.00 62.75 62.58 1de2 n ILE 11 Cb 0.68 0.07 -0.08 0.00 -0.75 0.00 0.00 39.64 39.55 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de2 s HIS 12 N -3.28 -0.58 -0.16 1.39 2.46 -1.26 -4.90 115.29 108.96 1de2 s HIS 12 Ca 0.01 1.31 -0.29 0.00 0.47 0.00 0.00 55.06 56.56 1de2 s HIS 12 Cb 0.13 0.23 -0.04 0.00 -0.13 0.00 0.00 32.58 32.77 1de2 s HIS 12 CO 0.81 -0.37 1.76 0.21 -2.47 0.00 0.00 174.74 174.69 1de2 s LYS 13 N -0.15 3.81 -0.44 2.88 2.20 -1.26 -3.71 119.74 123.07 1de2 s LYS 13 Ca -0.04 1.94 0.02 0.00 -0.36 0.00 0.00 55.97 57.53 1de2 s LYS 13 Cb -0.03 -4.09 0.14 0.00 -1.51 0.00 0.00 37.83 32.33 1de2 s LYS 13 CO 0.03 -1.29 0.25 0.00 -0.36 0.00 0.00 175.35 173.97 1de2 h VAL 15 N 5.20 1.52 0.00 0.00 -1.51 -1.98 -3.28 116.25 116.20 1de2 h VAL 15 Ca 0.01 -3.20 -0.04 0.00 -1.23 0.00 0.00 66.70 62.24 1de2 h VAL 15 Cb 0.92 2.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.91 1de2 h VAL 15 CO 0.48 0.90 -0.19 1.88 -1.23 0.00 0.00 177.57 179.40 1de2 h TYR 16 N 0.03 0.00 0.16 5.19 0.05 -1.96 -2.98 116.97 117.46 1de2 h TYR 16 Ca -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1de2 h TYR 16 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 1de2 h TYR 16 CO 0.03 0.19 -0.08 0.00 -1.05 0.00 0.00 178.16 177.25 1de2 h ASP 18 N -0.40 0.00 0.37 0.00 5.19 -1.66 -0.72 116.42 119.19 1de2 h ASP 18 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1de2 h ASP 18 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1de2 h ASP 18 CO 0.04 0.00 -0.18 0.78 -3.12 0.00 0.00 179.24 176.76 1de2 h ASN 19 N 0.00 -0.42 -0.84 6.45 2.35 -1.40 -2.50 115.58 119.22 1de2 h ASN 19 Ca 0.13 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1de2 h ASN 19 Cb 0.54 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 1de2 h ASN 19 CO -0.00 0.03 0.52 0.00 -1.65 0.00 0.00 177.43 176.33 1de2 h ALA 20 N -0.79 1.15 -0.04 -0.83 0.00 -1.07 -0.84 119.26 116.85 1de2 h ALA 20 Ca -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1de2 h ALA 20 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1de2 h ALA 20 CO 0.08 0.27 -0.09 -0.22 0.00 0.00 0.00 179.25 179.29 1de2 h LYS 21 N 0.96 -0.14 -0.63 0.00 3.64 -1.21 0.19 116.57 119.38 1de2 h LYS 21 Ca 0.37 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1de2 h LYS 21 Cb 0.16 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1de2 h LYS 21 CO -0.17 -0.09 0.41 -0.09 -2.27 0.00 0.00 179.45 177.24 1de2 h ARG 22 N -0.14 0.84 0.40 1.90 2.43 -1.01 0.55 114.38 119.36 1de2 h ARG 22 Ca 0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1de2 h ARG 22 Cb 0.20 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1de2 h ARG 22 CO -0.12 0.57 -0.24 1.25 -1.51 0.00 0.00 179.97 179.92 1de2 h LEU 23 N 0.86 -0.61 -0.47 3.80 6.46 -0.70 -0.57 115.31 124.08 1de2 h LEU 23 Ca 0.23 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.08 1de2 h LEU 23 Cb -0.07 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1de2 h LEU 23 CO -0.05 -0.39 0.21 -0.07 -0.62 0.00 0.00 178.44 177.53 1de2 h LEU 24 N -0.61 0.28 -1.17 2.25 3.38 -0.44 0.96 115.31 119.95 1de2 h LEU 24 Ca -0.04 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1de2 h LEU 24 Cb 0.50 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1de2 h LEU 24 CO 0.05 0.20 0.59 0.74 0.09 0.00 0.00 178.44 180.10 1de2 h THR 25 N 0.42 0.96 0.03 0.22 2.02 -0.66 0.07 112.91 115.97 1de2 h THR 25 Ca 0.21 -0.31 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 1de2 h THR 25 Cb 0.16 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1de2 h THR 25 CO -0.18 0.17 -1.01 0.58 0.37 0.00 0.00 175.52 175.45 1de2 h VAL 26 N 0.91 1.61 0.00 3.16 2.07 0.31 -3.13 116.25 121.18 1de2 h VAL 26 Ca 0.43 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1de2 h VAL 26 Cb 0.42 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1de2 h VAL 26 CO -0.19 0.90 0.00 1.17 0.02 0.00 0.00 177.57 179.47 1de2 n LYS 27 N -3.48 0.01 -2.80 1.57 3.00 0.32 -4.89 118.16 111.89 1de2 n LYS 27 Ca -0.03 0.17 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 1de2 n LYS 27 Cb 0.92 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 34.48 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1de2 n LYS 28 N -1.49 -3.23 -4.32 1.64 4.81 -0.17 -5.04 118.16 110.36 1de2 n LYS 28 Ca 0.05 0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1de2 n LYS 28 Cb 0.22 -4.00 -0.16 0.00 0.02 0.00 0.00 35.03 31.11 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de2 s GLN 29 N -5.07 1.11 0.59 1.64 1.11 -0.85 -5.06 119.66 113.13 1de2 s GLN 29 Ca 0.13 -0.22 -0.09 0.00 0.01 0.00 0.00 55.36 55.19 1de2 s GLN 29 Cb -0.06 -1.01 -0.03 0.00 -1.01 0.00 0.00 33.01 30.91 1de2 s GLN 29 CO 0.32 -0.03 0.95 -1.25 0.01 0.00 0.00 175.29 175.30 1de2 s PRO 30 N 0.75 3.41 0.27 2.91 0.04 -1.26 -4.38 135.00 136.75 1de2 s PRO 30 Ca -0.12 0.47 -0.21 0.00 0.04 0.00 0.00 61.00 61.18 1de2 s PRO 30 Cb -0.14 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1de2 s PRO 30 CO 0.01 -0.54 0.78 -0.59 0.04 0.00 0.00 177.00 176.70 1de2 s PHE 31 N -3.06 -0.14 -0.09 0.56 -0.71 -1.26 -2.39 117.98 110.90 1de2 s PHE 31 Ca 0.53 -0.32 -0.01 0.00 -1.04 0.00 0.00 56.93 56.09 1de2 s PHE 31 Cb -0.11 0.71 0.03 0.00 -1.21 0.00 0.00 43.02 42.44 1de2 s PHE 31 CO 0.50 -1.20 -0.04 -1.83 -1.34 0.00 0.00 175.22 171.31 1de2 s GLU 32 N -3.59 1.08 0.26 1.99 -1.05 0.23 -4.77 118.70 112.86 1de2 s GLU 32 Ca 0.12 -0.09 -0.10 0.00 -0.15 0.00 0.00 54.97 54.75 1de2 s GLU 32 Cb -0.05 -1.26 -0.07 0.00 -0.44 0.00 0.00 34.13 32.31 1de2 s GLU 32 CO 0.07 -0.26 0.60 0.12 0.95 0.00 0.00 175.26 176.74 1de2 s PHE 33 N 1.71 3.42 -0.07 4.83 5.36 -1.26 -2.44 117.98 129.54 1de2 s PHE 33 Ca 0.03 0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 56.89 1de2 s PHE 33 Cb -0.13 -2.30 0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1de2 s PHE 33 CO -0.06 0.20 0.13 0.42 -1.46 0.00 0.00 175.22 174.45 1de2 s ILE 34 N -1.92 -0.17 -0.29 3.12 1.01 -0.40 -4.91 121.20 117.65 1de2 s ILE 34 Ca 0.48 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 61.23 1de2 s ILE 34 Cb -0.11 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 1de2 s ILE 34 CO 0.22 0.14 0.76 0.20 0.00 0.00 0.00 174.94 176.26 1de2 s ASN 35 N 1.94 6.66 -0.44 3.58 0.02 -1.26 -2.47 114.94 122.97 1de2 s ASN 35 Ca 0.00 0.71 0.02 0.00 -1.02 0.00 0.00 52.86 52.57 1de2 s ASN 35 Cb -0.12 -2.40 0.51 0.00 0.02 0.00 0.00 41.25 39.27 1de2 s ASN 35 CO -0.05 -0.55 1.86 2.30 0.02 0.00 0.00 177.10 180.68 1de2 n ILE 36 N 5.43 3.05 -2.87 0.60 -5.35 -1.10 -4.59 119.36 114.53 1de2 n ILE 36 Ca 0.03 -1.94 -0.03 0.00 -0.27 0.00 0.00 62.75 60.55 1de2 n ILE 36 Cb 0.48 -0.76 0.01 0.00 -1.74 0.00 0.00 39.64 37.63 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.96 0.98 0.00 6.28 0.00 -1.26 0.18 119.30 122.52 1de2 s MET 37 Ca 0.51 -0.83 0.20 0.00 0.00 0.00 0.00 55.69 55.56 1de2 s MET 37 Cb 0.42 -0.01 1.03 0.00 0.00 0.00 0.00 34.83 36.27 1de2 s MET 37 CO 0.06 -1.26 1.62 -2.30 0.00 0.00 0.00 175.02 173.14 1de2 n PRO 38 N 3.31 0.34 -4.06 4.11 -0.02 -1.24 -4.77 135.00 132.67 1de2 n PRO 38 Ca 0.16 0.08 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1de2 n PRO 38 Cb 0.57 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.44 1de2 n PRO 38 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1de2 s GLU 39 N -2.48 0.52 0.00 -0.52 0.41 -1.20 -5.02 118.70 110.41 1de2 s GLU 39 Ca 0.21 -0.98 0.17 0.00 -0.41 0.00 0.00 54.97 53.95 1de2 s GLU 39 Cb 0.13 0.09 0.80 0.00 -1.78 0.00 0.00 34.13 33.37 1de2 s GLU 39 CO 0.29 -0.07 1.50 0.36 -0.49 0.00 0.00 175.26 176.86 1de2 n LYS 40 N 0.73 0.16 -0.37 1.61 -0.00 -1.26 -2.96 118.16 116.07 1de2 n LYS 40 Ca -0.18 0.16 0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1de2 n LYS 40 Cb 0.58 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 34.12 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de2 n GLY 41 N 0.15 0.26 3.10 2.58 0.00 -1.26 -5.05 105.19 104.97 1de2 n GLY 41 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.24 -0.59 0.97 1.61 1.01 -1.16 -5.16 120.40 116.84 1de2 s VAL 42 Ca 0.02 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1de2 s VAL 42 Cb 0.02 -0.68 0.17 0.00 0.00 0.00 0.00 36.38 35.89 1de2 s VAL 42 CO 0.00 0.01 1.12 -0.36 0.00 0.00 0.00 175.10 175.87 1de2 s PHE 43 N 2.55 2.24 -0.73 5.22 0.08 -1.26 -3.23 117.98 122.86 1de2 s PHE 43 Ca 0.04 0.89 -0.14 0.00 0.12 0.00 0.00 56.93 57.84 1de2 s PHE 43 Cb -0.13 -3.34 0.19 0.00 -0.57 0.00 0.00 43.02 39.17 1de2 s PHE 43 CO -0.13 -2.70 0.67 0.34 -0.10 0.00 0.00 175.22 173.30 1de2 s ASP 44 N -3.75 6.53 0.53 1.36 -1.08 0.47 -4.76 116.67 115.98 1de2 s ASP 44 Ca 0.65 -2.41 0.28 0.00 -0.52 0.00 0.00 52.55 50.55 1de2 s ASP 44 Cb -0.17 -2.20 1.51 0.00 -1.46 0.00 0.00 42.92 40.61 1de2 s ASP 44 CO 0.56 -0.66 2.10 0.44 0.52 0.00 0.00 175.17 178.13 1de2 h ASP 45 N 8.11 0.00 0.65 -0.34 3.32 -1.94 0.14 116.42 126.36 1de2 h ASP 45 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1de2 h ASP 45 Cb 1.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.61 1de2 h ASP 45 CO 0.84 0.10 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.82 1de2 h GLU 46 N 0.00 -0.84 -0.17 3.56 5.08 -1.97 0.75 114.58 120.99 1de2 h GLU 46 Ca -0.00 0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1de2 h GLU 46 Cb 0.28 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1de2 h GLU 46 CO 0.01 -0.52 -0.40 0.87 -1.00 0.00 0.00 179.01 177.97 1de2 h LYS 47 N -1.14 0.39 -0.08 2.33 1.79 -1.93 -2.79 116.57 115.14 1de2 h LYS 47 Ca -0.09 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 1de2 h LYS 47 Cb 0.70 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1de2 h LYS 47 CO 0.15 0.74 -0.54 0.82 -1.08 0.00 0.00 179.45 179.53 1de2 h ILE 48 N 0.33 1.36 0.49 1.86 2.04 -0.97 -2.63 117.51 120.00 1de2 h ILE 48 Ca 0.03 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 1de2 h ILE 48 Cb 0.85 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1de2 h ILE 48 CO 0.07 0.54 -0.24 0.00 0.00 0.00 0.00 178.15 178.53 1de2 h ALA 49 N 1.25 -0.66 0.00 1.87 0.00 0.80 -2.30 119.26 120.22 1de2 h ALA 49 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1de2 h ALA 49 Cb 1.02 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1de2 h ALA 49 CO 0.08 -0.84 -0.07 1.05 0.00 0.00 0.00 179.25 179.48 1de2 h GLU 50 N -0.73 0.00 0.31 0.00 4.11 -1.56 -2.58 114.58 114.13 1de2 h GLU 50 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1de2 h GLU 50 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1de2 h GLU 50 CO 0.11 0.07 -0.17 1.25 0.07 0.00 0.00 179.01 180.34 1de2 h LEU 51 N 0.00 -0.41 -0.49 3.06 6.46 -1.05 -1.89 115.31 120.98 1de2 h LEU 51 Ca -0.00 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1de2 h LEU 51 Cb 0.13 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1de2 h LEU 51 CO 0.01 -0.28 0.06 -0.07 -0.62 0.00 0.00 178.44 177.54 1de2 h LEU 52 N -0.45 -0.08 -0.96 2.25 3.38 -1.03 0.27 115.31 118.70 1de2 h LEU 52 Ca -0.04 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1de2 h LEU 52 Cb 0.36 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1de2 h LEU 52 CO 0.05 -0.01 0.57 0.74 0.09 0.00 0.00 178.44 179.88 1de2 h THR 53 N 0.19 0.83 -0.35 0.22 2.02 -1.33 -0.35 112.91 114.13 1de2 h THR 53 Ca 0.25 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 1de2 h THR 53 Cb 0.35 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1de2 h THR 53 CO -0.36 0.16 -0.43 0.11 0.37 0.00 0.00 175.52 175.37 1de2 h LYS 54 N 0.85 0.88 -0.57 6.66 1.57 -0.27 -3.14 116.57 122.55 1de2 h LYS 54 Ca 0.50 -0.48 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1de2 h LYS 54 Cb 0.61 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1de2 h LYS 54 CO -0.31 1.13 0.37 -0.07 -0.57 0.00 0.00 179.45 180.00 1de2 h LEU 55 N 0.71 0.63 0.00 2.94 3.38 0.55 -3.45 115.31 120.07 1de2 h LEU 55 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 55 Cb 1.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1de2 h LEU 55 CO 0.10 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1de2 n GLY 56 N -1.26 -0.41 0.78 0.83 0.00 -0.34 -4.94 105.19 99.86 1de2 n GLY 56 Ca 0.04 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1de2 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de2 n ARG 57 N 0.00 1.43 0.00 1.61 5.12 -1.26 -4.32 116.66 119.24 1de2 n ARG 57 Ca 0.00 -3.16 0.00 0.00 -1.93 0.00 0.00 57.85 52.76 1de2 n ARG 57 Cb 0.00 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1de2 n ASP 58 N -0.88 1.26 -4.60 0.55 2.03 -1.26 -5.17 116.55 108.48 1de2 n ASP 58 Ca 0.18 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.21 1de2 n ASP 58 Cb 0.76 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.05 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 1.22 1.83 -0.79 5.18 -1.32 -1.26 -4.97 115.64 115.53 1de2 s THR 59 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 1de2 s THR 59 Cb 0.00 -2.92 0.03 0.00 -1.51 0.00 0.00 72.50 68.10 1de2 s THR 59 CO 0.00 0.00 1.34 -1.10 -2.21 0.00 0.00 174.62 172.65 1de2 s GLN 60 N -3.74 3.23 -1.11 7.08 -0.21 -1.26 -4.93 119.66 118.71 1de2 s GLN 60 Ca 0.33 -0.36 -0.21 0.00 0.02 0.00 0.00 55.36 55.14 1de2 s GLN 60 Cb 0.09 -4.41 0.06 0.00 1.00 0.00 0.00 33.01 29.76 1de2 s GLN 60 CO 0.17 -2.20 1.54 -1.50 -2.12 0.00 0.00 175.29 171.18 1de2 s ILE 61 N 5.79 4.01 -1.71 1.08 -1.16 -1.26 -4.09 121.20 123.87 1de2 s ILE 61 Ca 0.39 -1.17 0.00 0.00 -0.51 0.00 0.00 60.65 59.36 1de2 s ILE 61 Cb -0.07 -5.10 0.00 0.00 0.61 0.00 0.00 42.46 37.91 1de2 s ILE 61 CO 0.11 -1.96 0.00 0.61 -2.81 0.00 0.00 174.94 170.89 1de2 n GLY 62 N 6.35 -0.02 3.10 1.50 0.00 -1.26 -4.95 105.19 109.90 1de2 n GLY 62 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -2.82 0.00 -3.74 0.99 7.94 -1.26 -5.06 117.00 113.05 1de2 n LEU 63 Ca -0.22 -0.76 -0.10 0.00 -1.11 0.00 0.00 56.01 53.82 1de2 n LEU 63 Cb 0.66 -0.93 -0.06 0.00 0.53 0.00 0.00 43.42 43.63 1de2 n LEU 63 CO 0.27 -2.74 0.03 0.42 -1.11 0.00 0.00 177.39 174.26 1de2 s THR 64 N -2.07 0.10 0.24 1.96 -4.23 -1.26 -5.16 115.64 105.22 1de2 s THR 64 Ca 0.58 -0.86 0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1de2 s THR 64 Cb -0.10 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1de2 s THR 64 CO 0.49 -0.48 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.96 1de2 s MET 65 N -3.76 2.03 0.35 3.99 -1.94 -1.26 -4.21 119.30 114.49 1de2 s MET 65 Ca 0.03 -1.46 -0.25 0.00 -1.71 0.00 0.00 55.69 52.30 1de2 s MET 65 Cb 0.03 -2.05 -0.10 0.00 2.01 0.00 0.00 34.83 34.72 1de2 s MET 65 CO -0.11 0.38 0.95 -2.14 -0.01 0.00 0.00 175.02 174.09 1de2 s PRO 66 N -3.32 4.50 -0.20 2.03 0.02 -1.26 -5.03 135.00 131.74 1de2 s PRO 66 Ca 0.28 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.54 1de2 s PRO 66 Cb -0.07 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 1de2 s PRO 66 CO 0.17 0.20 0.05 -1.14 -0.33 0.00 0.00 177.00 175.94 1de2 s GLN 67 N -2.28 3.81 0.28 5.54 2.00 0.26 -4.27 119.66 125.00 1de2 s GLN 67 Ca 0.53 -0.42 0.02 0.00 -2.00 0.00 0.00 55.36 53.49 1de2 s GLN 67 Cb -0.17 -3.19 -0.03 0.00 0.80 0.00 0.00 33.01 30.42 1de2 s GLN 67 CO 0.22 0.12 0.45 0.08 -0.50 0.00 0.00 175.29 175.66 1de2 s VAL 68 N 0.77 5.18 -0.02 1.34 1.01 0.36 0.12 120.40 129.17 1de2 s VAL 68 Ca 0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1de2 s VAL 68 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1de2 s VAL 68 CO 0.02 -0.40 0.09 -0.36 0.00 0.00 0.00 175.10 174.45 1de2 s PHE 69 N -2.11 -0.01 0.21 5.22 0.40 0.31 -2.83 117.98 119.17 1de2 s PHE 69 Ca 0.37 0.03 -0.32 0.00 -0.60 0.00 0.00 56.93 56.41 1de2 s PHE 69 Cb -0.10 -0.02 -0.14 0.00 0.51 0.00 0.00 43.02 43.27 1de2 s PHE 69 CO 0.32 -0.14 1.41 0.00 0.70 0.00 0.00 175.22 177.52 1de2 n ALA 70 N 2.38 0.84 0.24 5.36 0.00 0.28 -1.23 120.51 128.36 1de2 n ALA 70 Ca -0.17 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1de2 n ALA 70 Cb 0.58 -2.25 0.65 0.00 0.00 0.00 0.00 19.45 18.42 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 4.52 0.00 0.00 0.00 0.11 -1.86 -3.09 132.00 131.68 1de2 h PRO 71 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1de2 h PRO 71 Cb 1.28 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 1de2 h PRO 71 CO 0.78 0.00 -0.19 -0.25 -0.21 0.00 0.00 178.00 178.13 1de2 n ASP 72 N -2.47 -1.04 0.00 -2.05 9.92 -1.26 -4.74 116.55 114.90 1de2 n ASP 72 Ca -0.02 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1de2 n ASP 72 Cb 0.25 0.49 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de2 n GLY 73 N -1.10 2.80 1.10 0.44 0.00 -1.17 -5.19 105.19 102.08 1de2 n GLY 73 Ca -0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de2 n SER 74 N 0.00 1.70 -4.76 1.61 3.41 -1.26 -4.77 113.62 109.55 1de2 n SER 74 Ca 0.00 -1.69 -0.38 0.00 -0.26 0.00 0.00 58.87 56.53 1de2 n SER 74 Cb 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1de2 s HIS 75 N -1.81 2.72 0.00 7.33 2.46 -1.26 0.99 115.29 125.71 1de2 s HIS 75 Ca 0.03 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1de2 s HIS 75 Cb 0.00 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.88 1de2 s HIS 75 CO 0.02 -2.01 0.00 -0.89 -2.47 0.00 0.00 174.74 169.39 1de2 n ILE 76 N -0.41 0.00 0.00 0.89 -0.00 -1.13 -4.76 119.36 113.95 1de2 n ILE 76 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 1de2 n ILE 76 Cb 0.46 -0.73 0.00 0.00 -0.00 0.00 0.00 39.64 39.37 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 3.27 0.54 0.00 7.39 0.00 -1.17 -4.26 105.19 110.95 1de2 n GLY 77 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 1.35 0.00 -0.02 0.00 -1.26 0.14 105.19 105.40 1de2 n GLY 78 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.05 1.61 7.35 -1.26 -2.08 117.46 123.03 1de2 n PHE 79 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1de2 n PHE 79 Cb 0.00 -0.46 -0.02 0.00 0.35 0.00 0.00 39.48 39.36 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 -0.01 -0.99 -2.13 3.58 -1.98 0.24 116.42 115.13 1de2 h ASP 80 Ca 0.00 0.04 0.23 0.00 0.42 0.00 0.00 57.03 57.72 1de2 h ASP 80 Cb 0.00 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.02 1de2 h ASP 80 CO 0.00 0.03 0.64 1.56 -2.88 0.00 0.00 179.24 178.58 1de2 h GLN 81 N 0.12 0.46 0.00 0.28 4.20 -1.88 0.25 115.11 118.54 1de2 h GLN 81 Ca 0.11 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 1de2 h GLN 81 Cb 0.11 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1de2 h GLN 81 CO -0.15 0.31 -1.17 1.25 -0.67 0.00 0.00 178.83 178.40 1de2 h LEU 82 N 0.48 0.00 -1.86 1.46 6.46 -0.67 -3.25 115.31 117.93 1de2 h LEU 82 Ca 0.55 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 58.55 1de2 h LEU 82 Cb 1.27 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.16 1de2 h LEU 82 CO -0.28 0.99 0.60 -0.09 -0.62 0.00 0.00 178.44 179.04 1de2 h ARG 83 N 0.00 0.11 -0.31 1.25 2.43 0.29 1.46 114.38 119.60 1de2 h ARG 83 Ca -0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1de2 h ARG 83 Cb 1.82 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.33 1de2 h ARG 83 CO 0.11 0.07 -0.12 0.93 -1.51 0.00 0.00 179.97 179.45 1de2 h GLU 84 N 0.11 0.52 -0.22 0.20 5.08 -1.52 0.89 114.58 119.63 1de2 h GLU 84 Ca 0.42 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1de2 h GLU 84 Cb 1.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1de2 h GLU 84 CO -0.05 0.64 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.56 1de2 h TYR 85 N 0.48 0.39 0.00 4.33 5.03 0.18 -3.31 116.97 124.07 1de2 h TYR 85 Ca 0.09 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de2 h TYR 85 Cb 0.50 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1de2 h TYR 85 CO 0.02 0.48 -0.16 0.74 -1.32 0.00 0.00 178.16 177.92 1de2 h PHE 86 N 0.34 0.00 0.00 -3.82 0.04 -0.56 -3.52 116.94 109.42 1de2 h PHE 86 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1de2 h PHE 86 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1de2 h PHE 86 CO 0.01 0.00 0.00 0.36 -0.60 0.00 0.00 178.31 178.08