#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 -1.43 -3.57 1.12 3.01 -0.99 -4.28 117.46 111.33 1de2 n PHE 2 Ca 0.00 0.23 -0.17 0.00 1.01 0.00 0.00 57.45 58.52 1de2 n PHE 2 Cb 0.00 -1.51 -0.13 0.00 -0.01 0.00 0.00 39.48 37.82 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de2 s LYS 3 N -3.17 0.15 -0.03 -1.08 3.01 -0.80 -1.30 119.74 116.52 1de2 s LYS 3 Ca 0.51 0.42 0.00 0.00 -1.01 0.00 0.00 55.97 55.90 1de2 s LYS 3 Cb -0.07 -0.71 -0.03 0.00 -1.01 0.00 0.00 37.83 36.00 1de2 s LYS 3 CO 0.64 -0.49 -0.00 0.08 0.51 0.00 0.00 175.35 176.09 1de2 s VAL 4 N 2.35 4.19 -0.29 3.17 1.01 -0.59 0.12 120.40 130.36 1de2 s VAL 4 Ca 0.05 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1de2 s VAL 4 Cb -0.14 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.48 1de2 s VAL 4 CO -0.10 0.45 -0.03 -0.31 0.00 0.00 0.00 175.10 175.11 1de2 s TYR 5 N -1.02 3.21 0.00 5.22 1.51 0.40 0.16 117.35 126.83 1de2 s TYR 5 Ca 0.17 -2.45 0.00 0.00 -1.01 0.00 0.00 57.07 53.78 1de2 s TYR 5 Cb -0.11 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1de2 s TYR 5 CO 0.08 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.04 1de2 n GLY 6 N 4.43 2.22 3.65 0.71 0.00 0.49 0.65 105.19 117.35 1de2 n GLY 6 Ca -0.06 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.89 2.89 -2.20 1.61 2.02 -1.26 -2.39 117.35 118.90 1de2 s TYR 7 Ca 0.00 -0.08 0.19 0.00 -0.37 0.00 0.00 57.07 56.80 1de2 s TYR 7 Cb 0.00 -1.48 0.54 0.00 -0.40 0.00 0.00 41.96 40.62 1de2 s TYR 7 CO 0.00 0.47 1.43 -3.47 -1.57 0.00 0.00 175.55 172.41 1de2 n ASP 8 N 0.53 2.46 0.00 2.29 2.03 -1.26 -4.91 116.55 117.70 1de2 n ASP 8 Ca -0.12 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.30 1de2 n ASP 8 Cb 0.52 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1de2 n SER 9 N 0.84 0.00 0.08 1.67 3.41 -1.13 -4.82 113.62 113.67 1de2 n SER 9 Ca 0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.55 1de2 n SER 9 Cb 0.42 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1de2 h ASN 10 N 0.00 0.63 0.02 4.04 4.21 -1.97 -3.41 115.58 119.10 1de2 h ASN 10 Ca 0.00 -0.94 -0.38 0.00 1.21 0.00 0.00 56.30 56.19 1de2 h ASN 10 Cb 0.00 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 36.93 1de2 h ASN 10 CO 0.00 1.79 -2.41 -0.38 -1.29 0.00 0.00 177.43 175.14 1de2 n ILE 11 N -3.61 1.50 -4.01 2.81 -0.00 -1.26 -5.01 119.36 109.78 1de2 n ILE 11 Ca -0.25 -0.63 -0.09 0.00 -0.00 0.00 0.00 62.75 61.79 1de2 n ILE 11 Cb 1.07 -1.29 -0.11 0.00 -0.00 0.00 0.00 39.64 39.32 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 -2.52 0.33 0.76 1.39 2.46 -1.26 -4.95 115.29 111.50 1de2 s HIS 12 Ca -0.29 -0.64 -0.11 0.00 0.47 0.00 0.00 55.06 54.49 1de2 s HIS 12 Cb 0.08 -0.24 0.05 0.00 -0.13 0.00 0.00 32.58 32.34 1de2 s HIS 12 CO 0.65 -0.22 1.08 0.21 -2.47 0.00 0.00 174.74 174.00 1de2 s LYS 13 N -1.96 2.35 -0.30 2.88 2.36 -1.26 -2.83 119.74 120.99 1de2 s LYS 13 Ca -0.11 0.79 -0.19 0.00 -2.55 0.00 0.00 55.97 53.91 1de2 s LYS 13 Cb -0.06 -1.94 0.19 0.00 -1.05 0.00 0.00 37.83 34.97 1de2 s LYS 13 CO -0.03 -1.47 1.27 0.00 1.55 0.00 0.00 175.35 176.67 1de2 h VAL 15 N 5.07 0.79 0.00 0.00 -1.51 -1.99 -3.35 116.25 115.26 1de2 h VAL 15 Ca -0.12 -2.57 -0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1de2 h VAL 15 Cb 1.14 2.49 -0.00 0.00 -2.13 0.00 0.00 31.29 32.79 1de2 h VAL 15 CO -0.02 0.69 -0.01 1.88 -1.23 0.00 0.00 177.57 178.88 1de2 h TYR 16 N 0.04 0.00 -0.02 5.19 -1.99 -1.98 -1.70 116.97 116.50 1de2 h TYR 16 Ca -0.34 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.15 1de2 h TYR 16 Cb 2.02 0.00 0.02 0.00 2.00 0.00 0.00 36.73 40.77 1de2 h TYR 16 CO 0.04 0.01 -0.94 0.00 -0.00 0.00 0.00 178.16 177.26 1de2 h ASP 18 N 0.35 -0.16 -0.06 0.00 3.32 -1.47 -1.35 116.42 117.04 1de2 h ASP 18 Ca -0.11 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1de2 h ASP 18 Cb 1.60 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 1de2 h ASP 18 CO 0.19 0.06 -0.01 -0.55 -1.72 0.00 0.00 179.24 177.21 1de2 h ASN 19 N -0.38 0.11 -0.75 6.45 7.08 -1.57 -1.38 115.58 125.12 1de2 h ASN 19 Ca -0.02 -0.34 0.11 0.00 -3.08 0.00 0.00 56.30 52.97 1de2 h ASN 19 Cb 0.31 -0.03 -0.08 0.00 -2.08 0.00 0.00 38.32 36.44 1de2 h ASN 19 CO 0.03 0.42 0.36 0.00 -2.08 0.00 0.00 177.43 176.17 1de2 h ALA 20 N 0.68 1.07 0.63 4.14 0.00 -1.35 0.69 119.26 125.11 1de2 h ALA 20 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1de2 h ALA 20 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1de2 h ALA 20 CO 0.00 -0.08 -0.30 -0.22 0.00 0.00 0.00 179.25 178.65 1de2 h LYS 21 N 0.58 -0.82 -0.99 0.00 3.64 -1.18 -1.38 116.57 116.42 1de2 h LYS 21 Ca 0.39 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.93 1de2 h LYS 21 Cb 0.48 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.41 1de2 h LYS 21 CO -0.32 -0.50 0.63 -0.09 -2.27 0.00 0.00 179.45 176.90 1de2 h ARG 22 N -1.11 1.01 0.27 1.90 2.43 -0.95 -0.88 114.38 117.04 1de2 h ARG 22 Ca -0.09 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1de2 h ARG 22 Cb 0.69 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1de2 h ARG 22 CO 0.14 0.67 -0.22 1.25 -1.51 0.00 0.00 179.97 180.31 1de2 h LEU 23 N 1.04 -0.56 -0.81 3.80 6.46 0.44 -0.36 115.31 125.31 1de2 h LEU 23 Ca 0.47 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.35 1de2 h LEU 23 Cb 0.38 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 1de2 h LEU 23 CO -0.23 -0.33 0.48 -0.07 -0.62 0.00 0.00 178.44 177.67 1de2 h LEU 24 N -0.49 0.73 -1.35 2.25 3.38 -0.57 0.86 115.31 120.11 1de2 h LEU 24 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1de2 h LEU 24 Cb 0.44 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1de2 h LEU 24 CO -0.02 0.45 0.42 0.74 0.09 0.00 0.00 178.44 180.12 1de2 h THR 25 N 0.85 1.17 0.03 0.22 2.02 -0.75 -0.40 112.91 116.05 1de2 h THR 25 Ca 0.37 -0.32 -0.22 0.00 0.77 0.00 0.00 66.41 67.01 1de2 h THR 25 Cb 0.25 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1de2 h THR 25 CO -0.20 0.17 -1.04 0.58 0.37 0.00 0.00 175.52 175.40 1de2 h VAL 26 N 0.89 1.66 0.00 3.16 2.07 0.75 -3.14 116.25 121.64 1de2 h VAL 26 Ca 0.24 -3.29 0.00 0.00 0.82 0.00 0.00 66.70 64.46 1de2 h VAL 26 Cb -0.09 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1de2 h VAL 26 CO -0.05 0.95 0.00 0.29 0.02 0.00 0.00 177.57 178.78 1de2 n LYS 27 N -3.41 0.02 -2.55 1.57 4.01 0.28 -4.93 118.16 113.15 1de2 n LYS 27 Ca -0.02 0.11 -0.08 0.00 -0.51 0.00 0.00 58.31 57.81 1de2 n LYS 27 Cb 0.94 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 34.00 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de2 n LYS 28 N -1.49 -1.32 -3.74 1.97 5.02 -0.25 -5.04 118.16 113.31 1de2 n LYS 28 Ca 0.06 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1de2 n LYS 28 Cb 0.26 -4.12 -0.13 0.00 -0.02 0.00 0.00 35.03 31.02 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1de2 s GLN 29 N -3.77 0.22 0.40 1.97 -1.52 -0.92 -5.06 119.66 110.99 1de2 s GLN 29 Ca 0.26 0.47 -0.23 0.00 -1.95 0.00 0.00 55.36 53.91 1de2 s GLN 29 Cb -0.03 -0.06 -0.10 0.00 -0.22 0.00 0.00 33.01 32.60 1de2 s GLN 29 CO 0.45 -0.13 0.98 -1.25 -0.25 0.00 0.00 175.29 175.09 1de2 s PRO 30 N 0.97 4.25 0.28 2.91 0.04 -1.26 -4.47 135.00 137.71 1de2 s PRO 30 Ca -0.07 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1de2 s PRO 30 Cb -0.08 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1de2 s PRO 30 CO -0.06 -0.03 0.65 -0.59 0.04 0.00 0.00 177.00 177.01 1de2 s PHE 31 N -1.90 0.02 -0.02 0.56 -0.71 -1.26 -2.34 117.98 112.33 1de2 s PHE 31 Ca 0.59 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 56.00 1de2 s PHE 31 Cb -0.15 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1de2 s PHE 31 CO 0.20 -1.19 0.04 -2.00 -1.34 0.00 0.00 175.22 170.92 1de2 s GLU 32 N -3.80 0.01 0.52 1.99 2.56 -0.42 -4.82 118.70 114.74 1de2 s GLU 32 Ca 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 54.97 55.22 1de2 s GLU 32 Cb -0.04 -0.11 -0.00 0.00 2.00 0.00 0.00 34.13 35.98 1de2 s GLU 32 CO 0.08 -0.09 0.79 0.12 -0.56 0.00 0.00 175.26 175.61 1de2 s PHE 33 N 0.56 3.26 -0.14 5.30 5.36 -1.26 -1.54 117.98 129.52 1de2 s PHE 33 Ca -0.05 0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 56.35 1de2 s PHE 33 Cb -0.06 -2.51 0.07 0.00 -0.34 0.00 0.00 43.02 40.17 1de2 s PHE 33 CO -0.02 -0.57 0.27 0.42 -1.46 0.00 0.00 175.22 173.86 1de2 s ILE 34 N -2.78 -0.43 -0.12 3.12 1.01 0.42 -4.76 121.20 117.66 1de2 s ILE 34 Ca 0.51 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 1de2 s ILE 34 Cb -0.10 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 1de2 s ILE 34 CO 0.42 0.10 0.31 0.54 0.00 0.00 0.00 174.94 176.31 1de2 s ASN 35 N 2.43 6.52 -0.01 3.58 2.20 -1.26 -0.38 114.94 128.02 1de2 s ASN 35 Ca 0.01 0.61 0.21 0.00 -0.94 0.00 0.00 52.86 52.75 1de2 s ASN 35 Cb -0.12 -2.19 -0.27 0.00 -2.00 0.00 0.00 41.25 36.67 1de2 s ASN 35 CO -0.09 0.17 0.73 2.30 -2.94 0.00 0.00 177.10 177.27 1de2 n ILE 36 N 3.05 0.00 -3.64 0.54 -6.64 -1.01 -4.64 119.36 107.03 1de2 n ILE 36 Ca -0.13 -0.20 -0.27 0.00 -1.77 0.00 0.00 62.75 60.38 1de2 n ILE 36 Cb 0.52 0.61 -0.10 0.00 -1.44 0.00 0.00 39.64 39.23 1de2 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58 1de2 n MET 37 N -1.79 1.93 -0.76 6.28 0.00 -1.26 0.24 117.12 121.75 1de2 n MET 37 Ca 0.01 -4.40 -0.13 0.00 0.00 0.00 0.00 57.70 53.18 1de2 n MET 37 Cb 0.42 -2.17 0.04 0.00 0.00 0.00 0.00 33.22 31.51 1de2 n MET 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1de2 n PRO 38 N 1.55 1.65 -4.23 2.12 -0.04 -1.26 -4.76 135.00 130.04 1de2 n PRO 38 Ca 0.25 -1.33 -0.13 0.00 -0.04 0.00 0.00 63.50 62.25 1de2 n PRO 38 Cb 0.39 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.52 1.28 0.00 0.54 2.02 -1.26 -5.01 118.70 114.75 1de2 s GLU 39 Ca 0.26 -1.68 0.02 0.00 0.02 0.00 0.00 54.97 53.59 1de2 s GLU 39 Cb 0.21 0.18 0.10 0.00 0.10 0.00 0.00 34.13 34.72 1de2 s GLU 39 CO 0.01 -0.39 0.98 1.17 0.02 0.00 0.00 175.26 177.05 1de2 n LYS 40 N -0.33 0.02 0.00 1.61 3.00 -1.26 -4.17 118.16 117.02 1de2 n LYS 40 Ca 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1de2 n LYS 40 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.19 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 -1.19 -0.97 3.14 3.14 0.00 -1.26 -5.05 105.19 103.01 1de2 n GLY 41 Ca 0.01 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 -0.57 0.29 1.61 1.01 -1.26 -5.14 120.40 116.35 1de2 s VAL 42 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1de2 s VAL 42 Cb 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 36.38 35.67 1de2 s VAL 42 CO 0.00 0.06 1.41 -0.36 0.00 0.00 0.00 175.10 176.22 1de2 s PHE 43 N 2.54 2.95 -0.50 5.22 0.40 -1.26 -4.17 117.98 123.16 1de2 s PHE 43 Ca 0.01 1.15 -0.19 0.00 -0.60 0.00 0.00 56.93 57.30 1de2 s PHE 43 Cb -0.12 -3.82 0.06 0.00 0.51 0.00 0.00 43.02 39.65 1de2 s PHE 43 CO -0.12 -2.51 0.59 0.34 0.70 0.00 0.00 175.22 174.22 1de2 s ASP 44 N 0.04 6.21 0.65 1.36 2.15 0.65 -4.92 116.67 122.82 1de2 s ASP 44 Ca 0.55 -0.96 0.36 0.00 0.43 0.00 0.00 52.55 52.93 1de2 s ASP 44 Cb -0.42 -2.27 1.98 0.00 -0.30 0.00 0.00 42.92 41.90 1de2 s ASP 44 CO 0.49 -0.85 2.16 -0.78 -0.17 0.00 0.00 175.17 176.02 1de2 h ASP 45 N 8.96 0.00 0.07 -0.34 3.58 -1.93 -2.31 116.42 124.45 1de2 h ASP 45 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1de2 h ASP 45 Cb 1.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1de2 h ASP 45 CO 0.95 0.00 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.91 1de2 h GLU 46 N 0.00 -0.16 -0.17 0.28 5.08 -1.93 0.52 114.58 118.21 1de2 h GLU 46 Ca 0.02 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 1de2 h GLU 46 Cb 0.33 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1de2 h GLU 46 CO -0.00 -0.11 -0.64 0.87 -1.00 0.00 0.00 179.01 178.13 1de2 h LYS 47 N -0.16 0.73 -0.98 2.33 6.56 -1.76 -2.33 116.57 120.96 1de2 h LYS 47 Ca 0.01 -0.56 0.01 0.00 -1.06 0.00 0.00 60.65 59.05 1de2 h LYS 47 Cb 0.16 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.88 1de2 h LYS 47 CO -0.02 1.18 0.65 0.82 -2.06 0.00 0.00 179.45 180.01 1de2 h ILE 48 N 0.44 1.24 -0.09 1.86 5.03 -1.34 0.67 117.51 125.32 1de2 h ILE 48 Ca -0.03 -0.45 -0.01 0.00 -0.12 0.00 0.00 64.86 64.24 1de2 h ILE 48 Cb 1.27 -0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1de2 h ILE 48 CO 0.13 0.24 0.01 0.00 -0.68 0.00 0.00 178.15 177.85 1de2 h ALA 49 N 1.36 0.13 -0.68 1.87 0.00 0.08 -1.82 119.26 120.19 1de2 h ALA 49 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1de2 h ALA 49 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1de2 h ALA 49 CO -0.08 -0.20 0.17 1.49 0.00 0.00 0.00 179.25 180.63 1de2 h GLU 50 N -0.10 1.08 -0.04 0.00 4.81 -1.02 -2.88 114.58 116.43 1de2 h GLU 50 Ca 0.03 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1de2 h GLU 50 Cb 0.33 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1de2 h GLU 50 CO 0.00 0.95 -0.06 1.25 -0.73 0.00 0.00 179.01 180.43 1de2 h LEU 51 N 1.03 -0.17 -0.72 1.64 5.85 0.48 -0.06 115.31 123.36 1de2 h LEU 51 Ca 0.22 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1de2 h LEU 51 Cb 0.35 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1de2 h LEU 51 CO 0.00 -0.08 0.25 -0.07 -0.34 0.00 0.00 178.44 178.20 1de2 h LEU 52 N -0.08 0.18 -1.26 2.25 3.38 -1.18 0.36 115.31 118.97 1de2 h LEU 52 Ca 0.04 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 52 Cb 0.13 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1de2 h LEU 52 CO -0.09 0.06 -0.29 0.74 0.09 0.00 0.00 178.44 178.96 1de2 h THR 53 N 0.38 1.24 -0.08 0.22 2.02 -1.23 -2.17 112.91 113.28 1de2 h THR 53 Ca 0.39 -1.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 1de2 h THR 53 Cb 0.60 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1de2 h THR 53 CO -0.42 0.33 -0.41 0.11 0.37 0.00 0.00 175.52 175.50 1de2 h LYS 54 N 0.11 0.17 0.00 6.66 1.79 0.16 -3.32 116.57 122.14 1de2 h LYS 54 Ca 0.02 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1de2 h LYS 54 Cb 0.58 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1de2 h LYS 54 CO 0.04 0.56 0.00 1.28 -1.08 0.00 0.00 179.45 180.25 1de2 n LEU 55 N -4.03 0.02 0.00 2.94 4.77 -0.11 -4.73 117.00 115.86 1de2 n LEU 55 Ca -0.02 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1de2 n LEU 55 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1de2 n LEU 55 CO 0.41 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1de2 n GLY 56 N 0.43 0.99 1.97 -0.72 0.00 -1.03 -4.91 105.19 101.92 1de2 n GLY 56 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.95 -0.10 1.61 1.74 -1.26 -5.01 116.66 114.60 1de2 n ARG 57 Ca 0.00 -1.69 -0.10 0.00 -0.77 0.00 0.00 57.85 55.29 1de2 n ARG 57 Cb 0.00 0.05 -0.15 0.00 -1.02 0.00 0.00 32.46 31.35 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1de2 n ASP 58 N -2.24 0.45 -4.90 0.55 8.00 -1.26 -4.52 116.55 112.64 1de2 n ASP 58 Ca 0.03 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.32 1de2 n ASP 58 Cb 0.31 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N -2.46 3.51 -0.36 -3.53 -1.32 -1.26 -5.01 115.64 105.21 1de2 s THR 59 Ca -0.11 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.13 1de2 s THR 59 Cb 0.06 -3.20 0.10 0.00 -1.51 0.00 0.00 72.50 67.95 1de2 s THR 59 CO 0.76 -0.14 0.11 -1.10 -2.21 0.00 0.00 174.62 172.04 1de2 s GLN 60 N -4.08 1.71 -1.18 7.08 -0.21 -1.26 -5.04 119.66 116.69 1de2 s GLN 60 Ca 0.44 -1.84 -0.21 0.00 0.02 0.00 0.00 55.36 53.77 1de2 s GLN 60 Cb -0.07 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1de2 s GLN 60 CO 0.28 -0.98 1.78 0.96 -2.12 0.00 0.00 175.29 175.21 1de2 s ILE 61 N 1.00 3.83 -1.04 1.08 -4.36 -1.26 -3.79 121.20 116.66 1de2 s ILE 61 Ca 0.09 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1de2 s ILE 61 Cb -0.20 -4.84 0.00 0.00 1.25 0.00 0.00 42.46 38.66 1de2 s ILE 61 CO -0.06 -1.56 0.00 0.61 0.24 0.00 0.00 174.94 174.17 1de2 n GLY 62 N 5.92 1.12 3.73 6.27 0.00 -1.26 -4.98 105.19 115.99 1de2 n GLY 62 Ca 0.44 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.23 4.41 0.30 0.99 1.98 -1.25 -5.03 118.68 117.85 1de2 s LEU 63 Ca 0.00 2.19 0.03 0.00 -2.89 0.00 0.00 54.13 53.45 1de2 s LEU 63 Cb 0.00 -3.59 -0.06 0.00 0.66 0.00 0.00 46.19 43.20 1de2 s LEU 63 CO 0.00 -0.45 0.08 -0.89 -1.89 0.00 0.00 176.35 173.19 1de2 s THR 64 N 0.48 0.88 0.21 3.68 2.01 -1.26 -5.04 115.64 116.59 1de2 s THR 64 Ca 0.57 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.63 1de2 s THR 64 Cb -0.32 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1de2 s THR 64 CO 0.33 0.00 0.17 -0.04 -0.69 0.00 0.00 174.62 174.40 1de2 s MET 65 N -3.95 2.94 0.52 4.92 1.00 -1.26 -4.25 119.30 119.21 1de2 s MET 65 Ca 0.37 -0.95 -0.18 0.00 0.00 0.00 0.00 55.69 54.93 1de2 s MET 65 Cb 0.08 -2.62 -0.07 0.00 0.00 0.00 0.00 34.83 32.22 1de2 s MET 65 CO 0.15 0.45 1.02 -2.14 0.00 0.00 0.00 175.02 174.49 1de2 s PRO 66 N -3.46 3.74 -0.22 2.03 0.02 -1.26 -5.01 135.00 130.84 1de2 s PRO 66 Ca 0.32 1.16 0.01 0.00 0.02 0.00 0.00 61.00 62.51 1de2 s PRO 66 Cb -0.09 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.36 1de2 s PRO 66 CO 0.24 -0.46 -0.14 -0.65 -0.33 0.00 0.00 177.00 175.67 1de2 s GLN 67 N -3.73 2.76 0.47 5.54 -0.21 0.21 -4.25 119.66 120.45 1de2 s GLN 67 Ca 0.63 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1de2 s GLN 67 Cb -0.13 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.11 1de2 s GLN 67 CO 0.28 -0.35 0.69 0.08 -2.12 0.00 0.00 175.29 173.87 1de2 s VAL 68 N 1.25 3.73 -0.00 1.09 1.01 0.11 0.15 120.40 127.74 1de2 s VAL 68 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1de2 s VAL 68 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1de2 s VAL 68 CO -0.09 -0.27 0.09 -0.36 0.00 0.00 0.00 175.10 174.47 1de2 s PHE 69 N -2.60 0.07 0.49 5.22 0.40 0.33 -2.67 117.98 119.23 1de2 s PHE 69 Ca 0.50 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.44 1de2 s PHE 69 Cb -0.10 -0.07 -0.07 0.00 0.51 0.00 0.00 43.02 43.29 1de2 s PHE 69 CO 0.38 -0.22 1.30 0.00 0.70 0.00 0.00 175.22 177.38 1de2 n ALA 70 N 1.77 1.41 0.07 5.36 0.00 0.31 -1.90 120.51 127.53 1de2 n ALA 70 Ca -0.21 0.18 0.20 0.00 0.00 0.00 0.00 53.44 53.61 1de2 n ALA 70 Cb 0.56 -2.31 0.74 0.00 0.00 0.00 0.00 19.45 18.44 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 1.70 0.00 0.02 0.00 0.11 -1.90 -1.35 132.00 130.58 1de2 h PRO 71 Ca -0.50 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 1de2 h PRO 71 Cb 1.30 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 1de2 h PRO 71 CO 0.58 0.00 -1.80 -0.40 -0.21 0.00 0.00 178.00 176.17 1de2 n ASP 72 N -4.07 1.08 0.00 -2.05 5.75 -1.26 -3.34 116.55 112.66 1de2 n ASP 72 Ca 0.07 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 1de2 n ASP 72 Cb 0.55 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N 1.66 0.47 3.60 6.12 0.00 -0.51 -5.11 105.19 111.42 1de2 n GLY 73 Ca -0.21 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.34 -0.29 1.61 0.01 -1.25 -4.88 113.70 108.57 1de2 s SER 74 Ca 0.00 -0.19 -0.20 0.00 1.31 0.00 0.00 55.95 56.87 1de2 s SER 74 Cb 0.00 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 1de2 s SER 74 CO 0.00 -0.86 0.61 -2.28 0.41 0.00 0.00 173.24 171.12 1de2 s HIS 75 N -3.39 3.24 -0.24 2.43 2.46 -1.26 0.11 115.29 118.65 1de2 s HIS 75 Ca 0.07 0.64 -0.11 0.00 0.47 0.00 0.00 55.06 56.13 1de2 s HIS 75 Cb -0.02 -2.91 -0.17 0.00 -0.13 0.00 0.00 32.58 29.36 1de2 s HIS 75 CO -0.05 -0.41 -0.09 -0.89 -2.47 0.00 0.00 174.74 170.83 1de2 n ILE 76 N 5.31 1.56 0.00 0.89 5.41 -1.09 -4.85 119.36 126.58 1de2 n ILE 76 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1de2 n ILE 76 Cb 0.49 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 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 1.61 0.23 0.00 7.39 0.00 -1.20 -4.61 105.19 108.63 1de2 n GLY 77 Ca -0.44 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 0.11 0.06 -0.02 0.00 -1.26 0.06 105.19 104.14 1de2 n GLY 78 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.13 0.05 -0.29 1.61 3.57 -1.86 -1.33 116.94 118.55 1de2 h PHE 79 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1de2 h PHE 79 Cb 0.00 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1de2 h PHE 79 CO 0.00 0.50 0.02 0.22 -2.23 0.00 0.00 178.31 176.82 1de2 h ASP 80 N -0.43 -0.08 -0.00 0.41 1.82 -1.95 0.53 116.42 116.71 1de2 h ASP 80 Ca 0.00 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1de2 h ASP 80 Cb 0.50 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1de2 h ASP 80 CO 0.00 -0.01 -0.08 -0.61 -1.61 0.00 0.00 179.24 176.93 1de2 h GLN 81 N 0.11 0.22 -0.09 0.28 4.15 -1.89 -2.50 115.11 115.38 1de2 h GLN 81 Ca 0.14 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.34 1de2 h GLN 81 Cb 0.17 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.84 1de2 h GLN 81 CO -0.22 0.32 -0.62 1.25 -1.93 0.00 0.00 178.83 177.62 1de2 h LEU 82 N 0.21 0.71 -0.69 -2.39 7.12 0.04 -2.96 115.31 117.35 1de2 h LEU 82 Ca 0.05 -0.66 0.07 0.00 0.13 0.00 0.00 57.88 57.46 1de2 h LEU 82 Cb 0.29 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.15 1de2 h LEU 82 CO 0.01 1.26 0.37 -0.09 -0.13 0.00 0.00 178.44 179.87 1de2 h ARG 83 N 0.21 0.65 -0.79 1.25 2.43 0.35 0.61 114.38 119.10 1de2 h ARG 83 Ca -0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1de2 h ARG 83 Cb 1.27 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1de2 h ARG 83 CO 0.13 0.43 0.40 1.49 -1.51 0.00 0.00 179.97 180.91 1de2 h GLU 84 N 0.67 1.11 -0.95 0.20 4.81 -1.49 0.38 114.58 119.31 1de2 h GLU 84 Ca 0.32 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1de2 h GLU 84 Cb 0.25 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1de2 h GLU 84 CO -0.21 0.83 0.59 -0.92 -0.73 0.00 0.00 179.01 178.57 1de2 h TYR 85 N 1.11 1.23 0.00 0.92 3.20 -0.93 -1.01 116.97 121.48 1de2 h TYR 85 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1de2 h TYR 85 Cb 0.07 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1de2 h TYR 85 CO 0.01 0.80 -0.10 1.19 -1.64 0.00 0.00 178.16 178.41 1de2 n PHE 86 N -4.38 0.02 0.00 -3.82 3.72 0.04 -5.11 117.46 107.94 1de2 n PHE 86 Ca 0.11 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1de2 n PHE 86 Cb 0.04 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07