#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 2.14 -0.10 1.12 0.40 -0.80 -3.97 117.98 116.77 1de2 s PHE 2 Ca 0.00 1.63 -0.01 0.00 -0.60 0.00 0.00 56.93 57.95 1de2 s PHE 2 Cb 0.00 -3.33 0.03 0.00 0.51 0.00 0.00 43.02 40.23 1de2 s PHE 2 CO 0.00 -2.37 -0.05 0.15 0.70 0.00 0.00 175.22 173.65 1de2 s LYS 3 N -4.24 1.21 -0.10 0.44 3.01 -0.78 -0.74 119.74 118.54 1de2 s LYS 3 Ca 0.69 -0.13 -0.01 0.00 -1.01 0.00 0.00 55.97 55.51 1de2 s LYS 3 Cb -0.24 -1.37 -0.03 0.00 -1.01 0.00 0.00 37.83 35.17 1de2 s LYS 3 CO 0.49 -0.27 -0.03 0.08 0.51 0.00 0.00 175.35 176.12 1de2 s VAL 4 N 1.78 4.00 -0.37 3.17 1.01 -0.84 0.10 120.40 129.25 1de2 s VAL 4 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1de2 s VAL 4 Cb -0.12 -2.69 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1de2 s VAL 4 CO -0.07 0.57 0.13 -0.31 0.00 0.00 0.00 175.10 175.42 1de2 s TYR 5 N -0.53 3.62 0.00 5.22 1.51 0.47 0.12 117.35 127.74 1de2 s TYR 5 Ca 0.09 -2.57 0.00 0.00 -1.01 0.00 0.00 57.07 53.58 1de2 s TYR 5 Cb -0.12 -3.00 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1de2 s TYR 5 CO 0.02 -0.95 0.00 0.41 -1.11 0.00 0.00 175.55 173.92 1de2 n GLY 6 N 4.48 3.56 3.33 0.71 0.00 -0.52 0.02 105.19 116.76 1de2 n GLY 6 Ca -0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 1.72 -0.00 1.61 2.02 -1.26 -1.72 117.35 119.91 1de2 s TYR 7 Ca 0.00 -0.52 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1de2 s TYR 7 Cb 0.00 -0.84 -0.00 0.00 -0.40 0.00 0.00 41.96 40.72 1de2 s TYR 7 CO 0.00 0.32 0.05 0.22 -1.57 0.00 0.00 175.55 174.57 1de2 h ASP 8 N 3.00 -0.00 0.00 2.29 1.82 -1.91 -3.48 116.42 118.14 1de2 h ASP 8 Ca -0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1de2 h ASP 8 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1de2 h ASP 8 CO 0.55 0.01 0.00 -0.24 -1.61 0.00 0.00 179.24 177.96 1de2 n SER 9 N -2.08 0.00 0.17 2.28 2.88 -1.16 -4.86 113.62 110.85 1de2 n SER 9 Ca -0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1de2 n SER 9 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.00 0.08 -3.46 -0.73 -2.00 -3.30 115.58 106.16 1de2 h ASN 10 Ca 0.00 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.84 1de2 h ASN 10 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1de2 h ASN 10 CO 0.00 0.40 -1.79 -0.38 -0.37 0.00 0.00 177.43 175.28 1de2 n ILE 11 N -3.31 1.68 -3.71 2.57 -0.00 -1.26 -4.99 119.36 110.35 1de2 n ILE 11 Ca 0.01 -0.44 -0.14 0.00 -0.00 0.00 0.00 62.75 62.18 1de2 n ILE 11 Cb 0.62 -1.83 -0.08 0.00 -0.00 0.00 0.00 39.64 38.35 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 -2.49 -0.35 0.61 1.39 2.46 -1.24 -4.68 115.29 110.99 1de2 s HIS 12 Ca -0.26 0.67 -0.12 0.00 0.47 0.00 0.00 55.06 55.83 1de2 s HIS 12 Cb 0.07 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.65 1de2 s HIS 12 CO 0.70 -0.39 1.03 -1.59 -2.47 0.00 0.00 174.74 172.02 1de2 s LYS 13 N -0.87 3.60 -0.30 2.88 0.00 -1.26 -2.96 119.74 120.83 1de2 s LYS 13 Ca -0.09 0.80 -0.15 0.00 0.00 0.00 0.00 55.97 56.52 1de2 s LYS 13 Cb -0.04 -2.08 0.18 0.00 0.00 0.00 0.00 37.83 35.89 1de2 s LYS 13 CO 0.04 -0.57 1.15 0.00 0.00 0.00 0.00 175.35 175.97 1de2 h VAL 15 N 4.84 1.40 0.00 0.00 -1.51 -1.99 -3.23 116.25 115.76 1de2 h VAL 15 Ca -0.11 -2.67 -0.00 0.00 -1.23 0.00 0.00 66.70 62.69 1de2 h VAL 15 Cb 1.18 2.69 -0.00 0.00 -2.13 0.00 0.00 31.29 33.03 1de2 h VAL 15 CO -0.17 0.79 -0.02 1.88 -1.23 0.00 0.00 177.57 178.83 1de2 h TYR 16 N 0.18 0.00 0.22 5.19 0.05 -1.96 -2.80 116.97 117.85 1de2 h TYR 16 Ca -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1de2 h TYR 16 Cb 1.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.56 1de2 h TYR 16 CO 0.08 0.02 -0.11 0.00 -1.05 0.00 0.00 178.16 177.10 1de2 h ASP 18 N -0.53 0.24 0.15 0.00 1.82 -1.65 -1.18 116.42 115.26 1de2 h ASP 18 Ca -0.03 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1de2 h ASP 18 Cb 0.39 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1de2 h ASP 18 CO 0.05 0.14 -0.07 0.78 -1.61 0.00 0.00 179.24 178.53 1de2 h ASN 19 N 0.26 -0.17 -0.34 2.28 2.35 -1.50 -2.10 115.58 116.36 1de2 h ASN 19 Ca 0.28 -0.38 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1de2 h ASN 19 Cb 0.73 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.10 1de2 h ASN 19 CO -0.06 0.38 0.04 0.00 -1.65 0.00 0.00 177.43 176.14 1de2 h ALA 20 N -0.19 0.34 0.08 -0.83 0.00 -0.88 0.56 119.26 118.34 1de2 h ALA 20 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1de2 h ALA 20 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1de2 h ALA 20 CO 0.03 -0.36 -0.06 -0.22 0.00 0.00 0.00 179.25 178.63 1de2 h LYS 21 N 0.15 -0.15 -0.82 0.00 3.64 -1.33 -1.72 116.57 116.34 1de2 h LYS 21 Ca 0.16 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1de2 h LYS 21 Cb 0.20 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1de2 h LYS 21 CO -0.24 -0.10 0.50 -0.09 -2.27 0.00 0.00 179.45 177.25 1de2 h ARG 22 N -0.15 0.87 0.29 1.90 1.12 -1.01 -1.03 114.38 116.38 1de2 h ARG 22 Ca -0.00 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1de2 h ARG 22 Cb 0.14 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1de2 h ARG 22 CO -0.01 0.58 -0.25 1.25 -3.11 0.00 0.00 179.97 178.43 1de2 h LEU 23 N 0.90 -0.66 -0.62 3.80 6.46 -0.54 -0.82 115.31 123.82 1de2 h LEU 23 Ca 0.37 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.26 1de2 h LEU 23 Cb 0.20 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1de2 h LEU 23 CO -0.19 -0.37 0.29 -0.07 -0.62 0.00 0.00 178.44 177.48 1de2 h LEU 24 N -0.56 0.38 -1.54 2.25 3.38 -0.91 0.55 115.31 118.86 1de2 h LEU 24 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 24 Cb 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1de2 h LEU 24 CO -0.03 0.24 0.37 0.74 0.09 0.00 0.00 178.44 179.84 1de2 h THR 25 N 0.53 1.03 0.00 0.22 2.02 -0.85 0.16 112.91 116.02 1de2 h THR 25 Ca 0.30 -0.20 -0.21 0.00 0.77 0.00 0.00 66.41 67.07 1de2 h THR 25 Cb 0.28 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1de2 h THR 25 CO -0.24 0.11 -1.00 0.58 0.37 0.00 0.00 175.52 175.34 1de2 h VAL 26 N 0.58 1.71 0.00 3.16 2.07 0.53 -3.18 116.25 121.11 1de2 h VAL 26 Ca 0.23 -3.39 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1de2 h VAL 26 Cb 0.19 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1de2 h VAL 26 CO -0.06 0.97 0.00 0.29 0.02 0.00 0.00 177.57 178.79 1de2 n LYS 27 N -3.37 0.24 -2.69 1.57 4.76 0.17 -4.96 118.16 113.89 1de2 n LYS 27 Ca -0.00 0.21 -0.09 0.00 -2.87 0.00 0.00 58.31 55.56 1de2 n LYS 27 Cb 0.94 -1.79 0.04 0.00 -1.84 0.00 0.00 35.03 32.38 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1de2 n LYS 28 N -2.20 -1.49 -4.26 1.97 4.01 0.41 -5.05 118.16 111.55 1de2 n LYS 28 Ca 0.05 0.64 -0.17 0.00 -0.51 0.00 0.00 58.31 58.32 1de2 n LYS 28 Cb 0.41 -4.47 -0.14 0.00 -0.51 0.00 0.00 35.03 30.32 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1de2 s GLN 29 N -3.87 0.67 0.07 1.97 -1.52 -1.12 -5.07 119.66 110.78 1de2 s GLN 29 Ca 0.29 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.93 1de2 s GLN 29 Cb -0.04 -0.61 -0.05 0.00 -0.22 0.00 0.00 33.01 32.09 1de2 s GLN 29 CO 0.51 0.16 0.96 -1.25 -0.25 0.00 0.00 175.29 175.42 1de2 s PRO 30 N -0.65 4.64 0.27 2.91 0.04 -1.26 -4.74 135.00 136.21 1de2 s PRO 30 Ca 0.00 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 1de2 s PRO 30 Cb -0.05 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1de2 s PRO 30 CO 0.00 0.12 0.58 -0.59 0.04 0.00 0.00 177.00 177.15 1de2 s PHE 31 N 0.38 0.15 -0.03 0.56 -0.12 -1.26 -1.91 117.98 115.76 1de2 s PHE 31 Ca 0.49 -0.56 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1de2 s PHE 31 Cb -0.22 0.41 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1de2 s PHE 31 CO 0.29 -1.11 0.16 -1.21 -0.05 0.00 0.00 175.22 173.29 1de2 s GLU 32 N -3.91 0.37 0.41 1.99 2.02 0.08 -4.85 118.70 114.82 1de2 s GLU 32 Ca 0.18 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 55.00 1de2 s GLU 32 Cb -0.03 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 1de2 s GLU 32 CO 0.09 -0.08 0.70 0.12 0.02 0.00 0.00 175.26 176.11 1de2 s PHE 33 N -0.76 3.52 -0.10 1.61 5.36 -1.26 -1.99 117.98 124.37 1de2 s PHE 33 Ca -0.08 0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 56.58 1de2 s PHE 33 Cb -0.05 -2.21 0.05 0.00 -0.34 0.00 0.00 43.02 40.47 1de2 s PHE 33 CO 0.01 -0.11 0.13 0.42 -1.46 0.00 0.00 175.22 174.22 1de2 s ILE 34 N -2.51 -0.21 -0.25 3.12 1.01 0.31 -4.79 121.20 117.89 1de2 s ILE 34 Ca 0.46 0.26 -0.28 0.00 0.00 0.00 0.00 60.65 61.09 1de2 s ILE 34 Cb -0.10 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1de2 s ILE 34 CO 0.39 0.06 0.99 0.20 0.00 0.00 0.00 174.94 176.58 1de2 s ASN 35 N 2.25 7.00 0.09 3.58 0.01 -1.26 -1.44 114.94 125.16 1de2 s ASN 35 Ca 0.04 1.24 0.13 0.00 -0.71 0.00 0.00 52.86 53.55 1de2 s ASN 35 Cb -0.13 -2.51 -0.14 0.00 0.41 0.00 0.00 41.25 38.87 1de2 s ASN 35 CO -0.06 -0.66 1.00 -0.29 -1.51 0.00 0.00 177.10 175.58 1de2 h ILE 36 N 5.49 0.96 -3.14 0.60 2.10 -1.68 -3.42 117.51 118.41 1de2 h ILE 36 Ca -0.20 -2.58 -0.60 0.00 1.08 0.00 0.00 64.86 62.56 1de2 h ILE 36 Cb 1.07 2.41 -0.40 0.00 -1.09 0.00 0.00 36.82 38.81 1de2 h ILE 36 CO 0.96 0.54 -0.75 -0.32 -1.08 0.00 0.00 178.15 177.51 1de2 s MET 37 N -2.79 1.02 0.00 2.19 1.75 -1.26 -1.27 119.30 118.94 1de2 s MET 37 Ca -0.01 -1.53 0.28 0.00 -1.25 0.00 0.00 55.69 53.18 1de2 s MET 37 Cb 0.09 -2.24 1.42 0.00 2.84 0.00 0.00 34.83 36.94 1de2 s MET 37 CO 0.81 -1.05 1.96 -0.35 -0.65 0.00 0.00 175.02 175.73 1de2 n PRO 38 N 4.26 0.45 -3.88 4.11 -0.04 -1.26 -4.76 135.00 133.88 1de2 n PRO 38 Ca 0.03 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 1de2 n PRO 38 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 1de2 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de2 s GLU 39 N -2.51 0.01 0.00 0.54 2.02 -1.26 -5.01 118.70 112.49 1de2 s GLU 39 Ca 0.28 -0.00 0.09 0.00 0.02 0.00 0.00 54.97 55.35 1de2 s GLU 39 Cb 0.19 -0.01 0.39 0.00 0.10 0.00 0.00 34.13 34.80 1de2 s GLU 39 CO 0.41 0.00 1.24 1.17 0.02 0.00 0.00 175.26 178.10 1de2 n LYS 40 N 3.09 0.04 -0.05 1.61 4.81 -1.26 -3.14 118.16 123.26 1de2 n LYS 40 Ca -0.12 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.61 1de2 n LYS 40 Cb 0.60 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.14 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de2 h GLY 41 N 1.48 0.00 -5.64 3.14 0.00 -1.95 -3.48 103.07 96.60 1de2 h GLY 41 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1de2 h GLY 41 CO 0.00 0.00 -0.36 0.14 0.00 0.00 0.00 176.54 176.32 1de2 s VAL 42 N -1.69 -0.02 1.13 4.60 1.01 -1.19 -5.16 120.40 119.08 1de2 s VAL 42 Ca -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1de2 s VAL 42 Cb 0.01 -0.51 0.25 0.00 0.00 0.00 0.00 36.38 36.13 1de2 s VAL 42 CO 0.07 0.03 0.93 2.22 0.00 0.00 0.00 175.10 178.35 1de2 n PHE 43 N 3.84 -0.99 -2.87 5.22 1.16 -1.26 -4.30 117.46 118.26 1de2 n PHE 43 Ca -0.21 -0.04 -0.43 0.00 -1.87 0.00 0.00 57.45 54.90 1de2 n PHE 43 Cb 0.55 -1.73 -0.04 0.00 -1.61 0.00 0.00 39.48 36.65 1de2 n PHE 43 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1de2 s ASP 44 N -2.37 6.43 0.59 5.98 2.15 -0.40 -4.90 116.67 124.14 1de2 s ASP 44 Ca 0.67 -0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.85 1de2 s ASP 44 Cb -0.24 -2.43 1.50 0.00 -0.30 0.00 0.00 42.92 41.46 1de2 s ASP 44 CO 0.64 -1.06 1.93 -0.78 -0.17 0.00 0.00 175.17 175.73 1de2 h ASP 45 N 9.12 0.00 -0.21 -0.34 3.58 -1.91 -1.18 116.42 125.47 1de2 h ASP 45 Ca -0.25 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.24 1de2 h ASP 45 Cb 1.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 1de2 h ASP 45 CO 1.03 0.00 -0.05 -0.33 -2.88 0.00 0.00 179.24 177.01 1de2 h GLU 46 N 0.00 0.01 -0.03 0.28 5.08 -1.95 0.39 114.58 118.36 1de2 h GLU 46 Ca 0.19 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.35 1de2 h GLU 46 Cb 1.06 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1de2 h GLU 46 CO -0.00 0.00 -0.84 0.87 -1.00 0.00 0.00 179.01 178.04 1de2 h LYS 47 N 0.01 0.33 -0.02 2.33 1.79 -1.57 -2.87 116.57 116.57 1de2 h LYS 47 Ca 0.10 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1de2 h LYS 47 Cb 0.15 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1de2 h LYS 47 CO -0.21 1.00 0.00 0.82 -1.08 0.00 0.00 179.45 179.98 1de2 h ILE 48 N 0.20 0.99 0.06 1.86 1.08 -0.83 0.85 117.51 121.73 1de2 h ILE 48 Ca -0.05 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1de2 h ILE 48 Cb 1.44 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1de2 h ILE 48 CO 0.14 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.57 1de2 h ALA 49 N 1.01 -0.08 -0.78 1.87 0.00 -0.28 -0.83 119.26 120.17 1de2 h ALA 49 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1de2 h ALA 49 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1de2 h ALA 49 CO -0.01 -0.53 0.38 1.49 0.00 0.00 0.00 179.25 180.58 1de2 h GLU 50 N -0.11 1.11 -0.18 0.00 4.81 -1.36 -2.53 114.58 116.32 1de2 h GLU 50 Ca -0.01 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1de2 h GLU 50 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1de2 h GLU 50 CO 0.01 0.86 -0.01 1.25 -0.73 0.00 0.00 179.01 180.39 1de2 h LEU 51 N 1.09 -0.09 -0.27 1.64 5.85 0.11 0.71 115.31 124.35 1de2 h LEU 51 Ca 0.27 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1de2 h LEU 51 Cb 0.10 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1de2 h LEU 51 CO -0.04 -0.02 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.92 1de2 h LEU 52 N 0.05 -0.23 -1.60 2.25 3.38 -0.92 -0.23 115.31 118.01 1de2 h LEU 52 Ca 0.08 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1de2 h LEU 52 Cb 0.11 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1de2 h LEU 52 CO -0.15 -0.08 0.15 0.74 0.09 0.00 0.00 178.44 179.19 1de2 h THR 53 N 0.01 1.11 -0.64 0.22 2.02 -1.09 -1.77 112.91 112.78 1de2 h THR 53 Ca 0.13 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1de2 h THR 53 Cb 0.19 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1de2 h THR 53 CO -0.27 0.12 0.18 0.11 0.37 0.00 0.00 175.52 176.03 1de2 h LYS 54 N 0.42 1.00 0.61 6.66 1.79 0.81 -3.13 116.57 124.73 1de2 h LYS 54 Ca 0.11 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1de2 h LYS 54 Cb 0.04 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1de2 h LYS 54 CO -0.02 0.90 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.88 1de2 h LEU 55 N 0.93 -0.72 0.00 2.94 3.38 -0.31 -3.44 115.31 118.09 1de2 h LEU 55 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1de2 h LEU 55 Cb 0.32 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1de2 h LEU 55 CO -0.00 -0.51 0.00 0.61 0.09 0.00 0.00 178.44 178.63 1de2 n GLY 56 N -1.45 -0.93 1.37 0.83 0.00 -0.99 -4.92 105.19 99.10 1de2 n GLY 56 Ca -0.13 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 0.14 0.00 1.61 0.63 -1.26 -4.56 116.66 113.21 1de2 n ARG 57 Ca 0.00 -1.54 0.00 0.00 -0.92 0.00 0.00 57.85 55.39 1de2 n ARG 57 Cb 0.00 0.20 0.00 0.00 0.45 0.00 0.00 32.46 33.11 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1de2 n ASP 58 N 0.11 0.00 -4.61 6.15 5.75 -1.26 -5.15 116.55 117.54 1de2 n ASP 58 Ca -0.12 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.39 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.89 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de2 s THR 59 N 2.17 1.91 -0.59 2.12 -1.32 -1.26 -4.99 115.64 113.68 1de2 s THR 59 Ca 0.00 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.31 1de2 s THR 59 Cb 0.00 -2.95 0.13 0.00 -1.51 0.00 0.00 72.50 68.17 1de2 s THR 59 CO 0.00 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.01 1de2 s GLN 60 N -3.73 3.08 -1.15 7.08 -2.07 -1.26 -4.99 119.66 116.62 1de2 s GLN 60 Ca 0.34 -1.66 -0.21 0.00 -1.82 0.00 0.00 55.36 52.02 1de2 s GLN 60 Cb 0.10 -4.32 0.06 0.00 -1.09 0.00 0.00 33.01 27.76 1de2 s GLN 60 CO 0.17 -1.40 1.57 0.96 -1.32 0.00 0.00 175.29 175.27 1de2 s ILE 61 N 1.84 4.03 -1.57 3.63 -4.36 -1.26 -4.15 121.20 119.36 1de2 s ILE 61 Ca 0.08 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1de2 s ILE 61 Cb -0.26 -5.12 0.00 0.00 1.25 0.00 0.00 42.46 38.34 1de2 s ILE 61 CO 0.03 -1.97 0.00 0.61 0.24 0.00 0.00 174.94 173.85 1de2 n GLY 62 N 6.17 -0.04 3.35 6.27 0.00 -1.26 -4.90 105.19 114.78 1de2 n GLY 62 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.77 -1.12 -4.61 0.99 7.99 -1.26 -5.00 117.00 111.22 1de2 n LEU 63 Ca -0.20 0.53 -0.24 0.00 -0.01 0.00 0.00 56.01 56.08 1de2 n LEU 63 Cb 0.64 -1.08 -0.08 0.00 -0.11 0.00 0.00 43.42 42.79 1de2 n LEU 63 CO 0.25 -3.90 -0.36 0.42 -1.51 0.00 0.00 177.39 172.28 1de2 s THR 64 N -1.97 3.31 0.24 -5.08 -4.23 -1.26 -5.15 115.64 101.51 1de2 s THR 64 Ca 0.60 -1.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1de2 s THR 64 Cb -0.35 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1de2 s THR 64 CO 0.64 -0.28 -0.21 -0.04 -0.54 0.00 0.00 174.62 174.19 1de2 s MET 65 N -3.35 1.58 0.36 3.99 -1.94 -1.26 -4.25 119.30 114.43 1de2 s MET 65 Ca 0.29 -1.67 -0.20 0.00 -1.71 0.00 0.00 55.69 52.40 1de2 s MET 65 Cb -0.07 -1.71 -0.10 0.00 2.01 0.00 0.00 34.83 34.96 1de2 s MET 65 CO 0.18 0.33 0.87 -2.14 -0.01 0.00 0.00 175.02 174.25 1de2 s PRO 66 N -3.25 4.22 -0.21 2.03 0.02 -1.26 -5.01 135.00 131.54 1de2 s PRO 66 Ca 0.26 1.00 -0.07 0.00 0.02 0.00 0.00 61.00 62.21 1de2 s PRO 66 Cb -0.05 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 32.01 1de2 s PRO 66 CO 0.12 0.11 0.06 -0.65 -0.33 0.00 0.00 177.00 176.32 1de2 s GLN 67 N -2.83 3.82 0.44 5.54 -0.21 0.10 -4.48 119.66 122.03 1de2 s GLN 67 Ca 0.56 -0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.57 1de2 s GLN 67 Cb -0.12 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.66 1de2 s GLN 67 CO 0.17 0.07 0.61 0.08 -2.12 0.00 0.00 175.29 174.10 1de2 s VAL 68 N 0.92 3.33 -0.03 1.09 1.01 -0.83 0.18 120.40 126.07 1de2 s VAL 68 Ca 0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1de2 s VAL 68 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1de2 s VAL 68 CO 0.03 -0.09 0.09 -0.36 0.00 0.00 0.00 175.10 174.77 1de2 s PHE 69 N -2.44 -0.07 0.54 5.22 0.08 0.29 -2.68 117.98 118.92 1de2 s PHE 69 Ca 0.52 0.17 -0.20 0.00 0.12 0.00 0.00 56.93 57.54 1de2 s PHE 69 Cb -0.10 0.01 -0.07 0.00 -0.57 0.00 0.00 43.02 42.30 1de2 s PHE 69 CO 0.35 -0.08 1.00 0.00 -0.10 0.00 0.00 175.22 176.38 1de2 n ALA 70 N 2.81 0.27 0.07 5.36 0.00 0.29 -1.87 120.51 127.43 1de2 n ALA 70 Ca -0.14 0.08 0.20 0.00 0.00 0.00 0.00 53.44 53.58 1de2 n ALA 70 Cb 0.59 -2.11 0.74 0.00 0.00 0.00 0.00 19.45 18.66 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 0.87 0.00 0.00 0.00 0.11 -1.89 -0.01 132.00 131.08 1de2 h PRO 71 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1de2 h PRO 71 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1de2 h PRO 71 CO 0.53 0.00 -1.88 -0.40 -0.21 0.00 0.00 178.00 176.04 1de2 n ASP 72 N -4.06 0.20 0.00 -2.05 5.68 -1.26 -3.56 116.55 111.50 1de2 n ASP 72 Ca 0.07 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1de2 n ASP 72 Cb 0.55 1.43 0.00 0.00 -1.14 0.00 0.00 41.12 41.97 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de2 n GLY 73 N 1.35 1.00 3.31 6.12 0.00 -0.02 -5.14 105.19 111.82 1de2 n GLY 73 Ca -0.09 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 0.00 -0.70 -0.26 1.61 0.01 -1.25 -4.82 113.70 108.29 1de2 s SER 74 Ca 0.00 0.72 -0.37 0.00 1.31 0.00 0.00 55.95 57.61 1de2 s SER 74 Cb 0.00 1.70 -0.13 0.00 0.21 0.00 0.00 66.02 67.80 1de2 s SER 74 CO 0.00 -0.13 1.93 1.57 0.41 0.00 0.00 173.24 177.02 1de2 n HIS 75 N 5.22 1.98 0.01 2.43 -0.00 -1.26 0.10 115.22 123.70 1de2 n HIS 75 Ca -0.07 0.31 -0.22 0.00 0.46 0.00 0.00 57.72 58.20 1de2 n HIS 75 Cb 0.52 -2.54 -0.14 0.00 -0.12 0.00 0.00 29.99 27.72 1de2 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de2 h ILE 76 N 5.92 0.74 0.00 3.57 2.04 -1.84 -3.46 117.51 124.48 1de2 h ILE 76 Ca -0.40 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1de2 h ILE 76 Cb 1.31 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1de2 h ILE 76 CO 0.98 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.58 1de2 n GLY 77 N 1.91 0.42 0.00 5.37 0.00 -1.25 -4.52 105.19 107.11 1de2 n GLY 77 Ca -0.30 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 1.52 0.13 -0.02 0.00 -1.26 -1.96 105.19 103.61 1de2 n GLY 78 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.23 -0.82 1.61 3.57 -1.92 -2.70 116.94 116.44 1de2 h PHE 79 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1de2 h PHE 79 Cb 0.00 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 1de2 h PHE 79 CO 0.00 -0.14 0.44 0.22 -2.23 0.00 0.00 178.31 176.59 1de2 h ASP 80 N -0.94 0.57 -0.59 0.41 3.58 -1.99 -0.83 116.42 116.62 1de2 h ASP 80 Ca -0.03 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1de2 h ASP 80 Cb 0.19 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1de2 h ASP 80 CO 0.04 0.28 0.37 1.56 -2.88 0.00 0.00 179.24 178.62 1de2 h GLN 81 N 0.68 0.72 -0.13 0.28 7.50 -1.88 -2.60 115.11 119.68 1de2 h GLN 81 Ca 0.42 -0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.54 1de2 h GLN 81 Cb 0.51 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1de2 h GLN 81 CO -0.31 0.48 0.06 1.25 -1.50 0.00 0.00 178.83 178.81 1de2 h LEU 82 N 0.74 0.09 -1.76 1.46 5.85 -0.83 0.02 115.31 120.88 1de2 h LEU 82 Ca 0.23 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.16 1de2 h LEU 82 Cb -0.03 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1de2 h LEU 82 CO -0.08 0.07 0.57 -0.09 -0.34 0.00 0.00 178.44 178.57 1de2 h ARG 83 N 0.13 0.20 -0.01 1.25 2.43 -1.05 1.22 114.38 118.54 1de2 h ARG 83 Ca 0.05 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 1de2 h ARG 83 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1de2 h ARG 83 CO -0.04 0.13 -0.80 1.49 -1.51 0.00 0.00 179.97 179.25 1de2 h GLU 84 N 0.21 0.17 -0.12 0.20 4.81 -0.85 1.02 114.58 120.01 1de2 h GLU 84 Ca 0.41 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1de2 h GLU 84 Cb 1.29 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1de2 h GLU 84 CO -0.09 0.88 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.85 1de2 h TYR 85 N 0.11 0.26 0.00 0.92 5.03 0.32 -3.36 116.97 120.24 1de2 h TYR 85 Ca -0.03 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1de2 h TYR 85 Cb 1.40 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.61 1de2 h TYR 85 CO 0.02 0.52 0.00 1.19 -1.32 0.00 0.00 178.16 178.57 1de2 n PHE 86 N -4.12 0.00 1.79 -3.82 3.72 0.68 -5.09 117.46 110.63 1de2 n PHE 86 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 1de2 n PHE 86 Cb 0.40 -0.16 0.77 0.00 -0.94 0.00 0.00 39.48 39.55 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34