#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehc s THR 3 N 0.00 4.55 0.38 1.69 -4.23 -1.26 -4.91 115.64 111.87 3ehc s THR 3 Ca 0.00 1.17 0.08 0.00 -1.18 0.00 0.00 61.69 61.76 3ehc s THR 3 Cb 0.00 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.43 3ehc s THR 3 CO 0.00 -0.65 1.95 -0.07 -0.54 0.00 0.00 174.62 175.31 3ehc h LEU 4 N 1.01 0.59 -0.41 4.79 3.38 -1.92 -1.61 115.31 121.14 3ehc h LEU 4 Ca -0.47 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.55 3ehc h LEU 4 Cb 1.18 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3ehc h LEU 4 CO 0.62 0.36 0.18 0.78 0.09 0.00 0.00 178.44 180.47 3ehc h ASN 5 N 0.66 0.24 -0.29 -0.43 4.21 -1.94 0.22 115.58 118.25 3ehc h ASN 5 Ca 0.33 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.83 3ehc h ASN 5 Cb 0.42 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 3ehc h ASN 5 CO -0.11 0.18 0.02 0.44 -1.29 0.00 0.00 177.43 176.67 3ehc h ASP 6 N 0.37 0.49 -0.53 5.81 3.32 -1.71 -1.61 116.42 122.56 3ehc h ASP 6 Ca 0.18 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.99 3ehc h ASP 6 Cb 0.12 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3ehc h ASP 6 CO -0.15 0.65 0.28 0.40 -1.72 0.00 0.00 179.24 178.70 3ehc h ILE 7 N 0.31 0.97 -0.41 0.35 2.04 -1.21 -2.13 117.51 117.42 3ehc h ILE 7 Ca 0.09 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3ehc h ILE 7 Cb 0.39 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ehc h ILE 7 CO 0.01 0.10 0.14 0.22 0.00 0.00 0.00 178.15 178.62 3ehc h TYR 8 N 0.54 0.65 -0.30 1.37 3.20 -0.84 -0.68 116.97 120.92 3ehc h TYR 8 Ca 0.23 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3ehc h TYR 8 Cb 0.13 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3ehc h TYR 8 CO -0.10 0.59 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.84 3ehc h LEU 9 N 0.52 0.48 -0.73 2.82 3.38 -1.22 -0.91 115.31 119.65 3ehc h LEU 9 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3ehc h LEU 9 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ehc h LEU 9 CO -0.01 0.63 0.06 0.00 0.09 0.00 0.00 178.44 179.21 3ehc h ALA 10 N 1.43 0.94 -0.16 1.53 0.00 -1.08 -0.67 119.26 121.24 3ehc h ALA 10 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ehc h ALA 10 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ehc h ALA 10 CO 0.03 0.65 0.07 -0.92 0.00 0.00 0.00 179.25 179.07 3ehc h TYR 11 N 0.96 0.25 -0.83 0.00 3.20 -0.71 -1.90 116.97 117.93 3ehc h TYR 11 Ca 0.19 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ehc h TYR 11 Cb 0.47 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3ehc h TYR 11 CO 0.03 0.32 0.51 -0.07 -1.64 0.00 0.00 178.16 177.31 3ehc h LEU 12 N 0.11 0.99 -0.60 2.82 3.38 -1.08 -1.12 115.31 119.82 3ehc h LEU 12 Ca 0.05 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ehc h LEU 12 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3ehc h LEU 12 CO -0.00 0.76 0.39 -0.78 0.09 0.00 0.00 178.44 178.89 3ehc h ASP 13 N 1.15 0.67 -0.74 -0.43 3.58 -0.91 -0.87 116.42 118.87 3ehc h ASP 13 Ca 0.30 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 3ehc h ASP 13 Cb -0.06 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 3ehc h ASP 13 CO -0.06 0.49 0.29 0.77 -2.88 0.00 0.00 179.24 177.85 3ehc h SER 14 N 0.80 1.03 -0.40 2.28 4.64 -0.71 -2.49 113.55 118.68 3ehc h SER 14 Ca 0.22 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ehc h SER 14 Cb -0.08 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.72 3ehc h SER 14 CO -0.05 0.92 0.26 -0.07 -0.87 0.00 0.00 176.83 177.01 3ehc h LEU 15 N 1.07 0.47 -1.90 5.97 4.07 -0.89 -0.15 115.31 123.95 3ehc h LEU 15 Ca 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 3ehc h LEU 15 Cb 0.22 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 3ehc h LEU 15 CO -0.02 0.37 0.00 0.78 -1.08 0.00 0.00 178.44 178.49 3ehc h ASN 16 N 0.54 0.05 -0.36 -0.43 2.35 -0.82 -0.13 115.58 116.78 3ehc h ASN 16 Ca 0.15 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3ehc h ASN 16 Cb -0.03 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ehc h ASN 16 CO -0.03 0.07 0.00 1.41 -1.65 0.00 0.00 177.43 177.23 3ehc n HIS 17 N -4.50 0.47 -4.06 1.19 8.25 -0.97 -4.95 115.22 110.65 3ehc n HIS 17 Ca -0.02 -0.23 -0.33 0.00 -0.26 0.00 0.00 57.72 56.87 3ehc n HIS 17 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3ehc n HIS 17 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ehc n GLN 18 N 0.81 -4.47 -2.56 -0.41 6.02 -0.06 -4.88 117.38 111.82 3ehc n GLN 18 Ca 0.17 0.50 -0.43 0.00 -0.01 0.00 0.00 57.00 57.22 3ehc n GLN 18 Cb 0.41 -5.32 0.01 0.00 1.02 0.00 0.00 30.24 26.36 3ehc n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ehc n ALA 19 N -4.55 5.26 1.11 -1.58 0.00 -0.16 -4.78 120.51 115.81 3ehc n ALA 19 Ca 0.06 -4.46 0.13 0.00 0.00 0.00 0.00 53.44 49.17 3ehc n ALA 19 Cb 0.51 -2.79 0.50 0.00 0.00 0.00 0.00 19.45 17.67 3ehc n ALA 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ehc n PHE 20 N 3.14 0.00 0.23 0.00 3.72 -1.26 -2.74 117.46 120.55 3ehc n PHE 20 Ca 0.35 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.84 3ehc n PHE 20 Cb 0.36 -0.34 0.55 0.00 -0.94 0.00 0.00 39.48 39.11 3ehc n PHE 20 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ehc h ASP 21 N 0.14 0.00 0.17 4.37 3.32 -1.99 -2.87 116.42 119.56 3ehc h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ehc h ASP 21 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ehc h ASP 21 CO 0.00 0.22 -0.11 -0.62 -1.72 0.00 0.00 179.24 177.01 3ehc n GLU 22 N -3.78 1.08 -0.19 3.56 -0.58 -1.11 -4.58 120.64 115.04 3ehc n GLU 22 Ca -0.02 -0.53 0.04 0.00 -0.42 0.00 0.00 57.16 56.23 3ehc n GLU 22 Cb 0.33 -1.49 0.31 0.00 -0.57 0.00 0.00 31.44 30.02 3ehc n GLU 22 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3ehc h LEU 23 N 1.29 0.75 -2.15 -4.62 5.85 -1.63 -0.73 115.31 114.07 3ehc h LEU 23 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ehc h LEU 23 Cb 0.42 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3ehc h LEU 23 CO 0.00 0.51 0.08 1.23 -0.34 0.00 0.00 178.44 179.92 3ehc h GLY 24 N 0.86 0.00 1.66 3.75 0.00 -1.81 -0.29 103.07 107.24 3ehc h GLY 24 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3ehc h GLY 24 CO -0.09 0.00 0.16 -0.84 0.00 0.00 0.00 176.54 175.77 3ehc h THR 25 N 0.00 1.12 0.00 4.70 2.02 -1.48 -3.32 112.91 115.94 3ehc h THR 25 Ca 0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3ehc h THR 25 Cb 0.16 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3ehc h THR 25 CO 0.00 0.13 -1.51 0.49 0.37 0.00 0.00 175.52 175.00 3ehc n PHE 26 N -4.43 0.00 -4.45 3.16 3.72 -0.21 -4.78 117.46 110.47 3ehc n PHE 26 Ca 0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.16 3ehc n PHE 26 Cb 0.11 -0.26 -0.17 0.00 -0.94 0.00 0.00 39.48 38.22 3ehc n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ehc s VAL 27 N -2.73 1.19 0.64 -4.37 1.01 -0.69 0.15 120.40 115.60 3ehc s VAL 27 Ca -0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3ehc s VAL 27 Cb 0.07 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3ehc s VAL 27 CO 0.45 0.38 1.25 -0.62 0.00 0.00 0.00 175.10 176.56 3ehc s ASP 28 N 0.91 4.78 0.38 3.32 -1.08 0.20 -4.42 116.67 120.75 3ehc s ASP 28 Ca -0.10 2.51 0.09 0.00 -0.52 0.00 0.00 52.55 54.54 3ehc s ASP 28 Cb -0.15 -2.61 0.85 0.00 -1.46 0.00 0.00 42.92 39.55 3ehc s ASP 28 CO 0.01 -1.88 1.92 0.44 0.52 0.00 0.00 175.17 176.18 3ehc h ASP 29 N 0.59 0.58 -0.61 -0.34 5.19 -1.92 -2.49 116.42 117.42 3ehc h ASP 29 Ca -0.50 0.02 -0.34 0.00 -0.62 0.00 0.00 57.03 55.59 3ehc h ASP 29 Cb 1.32 -0.10 -0.20 0.00 0.18 0.00 0.00 39.33 40.53 3ehc h ASP 29 CO 0.53 0.34 0.17 0.59 -3.12 0.00 0.00 179.24 177.75 3ehc n ASN 30 N -4.50 3.30 -4.69 6.45 3.02 -1.26 -1.05 115.26 116.52 3ehc n ASN 30 Ca 0.13 -3.74 -0.41 0.00 -0.03 0.00 0.00 54.58 50.53 3ehc n ASN 30 Cb 0.37 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 3ehc n ASN 30 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3ehc n VAL 31 N -1.10 2.53 -5.21 2.41 3.14 -0.94 -4.62 118.33 114.53 3ehc n VAL 31 Ca 0.44 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 61.00 3ehc n VAL 31 Cb 1.21 -1.53 -0.17 0.00 -1.06 0.00 0.00 33.84 32.29 3ehc n VAL 31 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3ehc s GLU 32 N -2.18 2.98 -0.15 1.45 2.12 -0.85 -1.35 118.70 120.73 3ehc s GLU 32 Ca 0.61 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 55.06 3ehc s GLU 32 Cb -0.52 -2.29 0.02 0.00 0.26 0.00 0.00 34.13 31.61 3ehc s GLU 32 CO 0.58 0.22 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.80 3ehc s HIS 33 N 0.26 2.12 -1.48 5.30 5.65 -0.93 -0.93 115.29 125.27 3ehc s HIS 33 Ca -0.16 -1.19 -0.05 0.00 0.25 0.00 0.00 55.06 53.91 3ehc s HIS 33 Cb -0.17 -1.57 0.04 0.00 -1.18 0.00 0.00 32.58 29.70 3ehc s HIS 33 CO 0.08 -0.66 0.51 0.09 -0.65 0.00 0.00 174.74 174.11 3ehc n ASN 34 N 4.78 -1.09 0.00 9.88 3.02 -0.28 -1.75 115.26 129.82 3ehc n ASN 34 Ca -0.17 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3ehc n ASN 34 Cb 0.50 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 3ehc n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ehc n GLY 35 N -1.87 0.61 3.51 7.41 0.00 -1.26 -4.99 105.19 108.60 3ehc n GLY 35 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3ehc n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ehc s ARG 36 N -0.39 3.25 -1.46 1.61 0.52 -0.72 -4.97 118.95 116.80 3ehc s ARG 36 Ca 0.00 -0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 3ehc s ARG 36 Cb 0.00 -3.95 0.04 0.00 0.52 0.00 0.00 34.95 31.56 3ehc s ARG 36 CO 0.00 -0.95 2.36 -0.35 0.02 0.00 0.00 175.30 176.38 3ehc n PRO 37 N 6.06 3.36 -0.01 3.54 -0.04 -1.26 -2.19 135.00 144.46 3ehc n PRO 37 Ca -0.03 -2.75 0.12 0.00 -0.04 0.00 0.00 63.50 60.80 3ehc n PRO 37 Cb 0.48 -3.04 0.15 0.00 -0.04 0.00 0.00 33.50 31.04 3ehc n PRO 37 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3ehc n PHE 38 N 4.68 0.02 -0.62 0.54 1.16 -1.22 -4.97 117.46 117.05 3ehc n PHE 38 Ca 0.57 -0.01 0.08 0.00 -1.87 0.00 0.00 57.45 56.23 3ehc n PHE 38 Cb 0.33 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.18 3ehc n PHE 38 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3ehc n GLY 39 N 1.33 -1.80 0.33 4.97 0.00 -0.46 -2.12 105.19 107.45 3ehc n GLY 39 Ca 0.15 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.84 3ehc n GLY 39 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ehc h LEU 40 N -0.58 0.83 -0.47 0.99 5.85 -1.18 -1.38 115.31 119.37 3ehc h LEU 40 Ca -0.01 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3ehc h LEU 40 Cb 0.57 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ehc h LEU 40 CO 0.01 0.49 0.01 -1.28 -0.34 0.00 0.00 178.44 177.34 3ehc h SER 41 N 0.95 0.80 -0.63 1.25 0.87 -1.84 -0.50 113.55 114.45 3ehc h SER 41 Ca 0.42 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3ehc h SER 41 Cb 0.30 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3ehc h SER 41 CO -0.22 0.90 0.29 1.23 -0.53 0.00 0.00 176.83 178.50 3ehc h GLY 42 N 0.67 1.01 1.04 5.77 0.00 -1.08 -1.53 103.07 108.96 3ehc h GLY 42 Ca 0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3ehc h GLY 42 CO 0.02 0.47 -0.28 -1.82 0.00 0.00 0.00 176.54 174.94 3ehc h TYR 43 N 0.93 0.99 -0.60 5.60 5.03 -1.02 -2.96 116.97 124.94 3ehc h TYR 43 Ca 0.22 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 3ehc h TYR 43 Cb 0.13 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3ehc h TYR 43 CO 0.01 1.06 0.35 -0.09 -1.32 0.00 0.00 178.16 178.16 3ehc h ARG 44 N 0.64 0.83 -1.70 1.82 2.43 -0.93 -2.24 114.38 115.23 3ehc h ARG 44 Ca 0.07 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ehc h ARG 44 Cb 0.85 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3ehc h ARG 44 CO 0.07 0.62 0.00 -0.25 -1.51 0.00 0.00 179.97 178.90 3ehc n ASP 45 N -4.59 0.29 0.00 -3.80 8.00 -0.59 -1.04 116.55 114.82 3ehc n ASP 45 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3ehc n ASP 45 Cb 0.07 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3ehc n ASP 45 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ehc n LEU 47 N 0.89 0.00 -0.31 0.64 4.77 -0.84 -1.30 117.00 120.85 3ehc n LEU 47 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3ehc n LEU 47 Cb 0.05 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.30 3ehc n LEU 47 CO 0.00 0.00 1.26 0.58 -1.33 0.00 0.00 177.39 177.90 3ehc h VAL 48 N 0.00 1.23 -0.18 4.08 2.07 -1.36 -1.95 116.25 120.15 3ehc h VAL 48 Ca 0.00 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 3ehc h VAL 48 Cb 0.00 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3ehc h VAL 48 CO 0.00 0.23 -0.22 0.50 0.02 0.00 0.00 177.57 178.10 3ehc h LYS 49 N 1.22 0.47 -0.70 1.57 3.64 -1.45 -2.11 116.57 119.20 3ehc h LYS 49 Ca 0.33 -0.26 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3ehc h LYS 49 Cb -0.12 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.61 3ehc h LYS 49 CO -0.07 0.85 0.18 -0.44 -2.27 0.00 0.00 179.45 177.70 3ehc h ASP 50 N 0.11 0.05 0.67 4.20 3.32 -1.73 0.82 116.42 123.86 3ehc h ASP 50 Ca 0.02 0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3ehc h ASP 50 Cb 0.78 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3ehc h ASP 50 CO 0.05 -0.00 -0.64 -0.26 -1.72 0.00 0.00 179.24 176.67 3ehc h PHE 51 N 0.29 0.00 -0.36 4.55 0.04 -1.32 0.79 116.94 120.93 3ehc h PHE 51 Ca 0.39 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.01 3ehc h PHE 51 Cb 0.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 3ehc h PHE 51 CO -0.25 0.64 -0.38 0.00 -0.60 0.00 0.00 178.31 177.73 3ehc h ALA 52 N 1.36 0.65 -0.03 2.45 0.00 -0.58 -2.93 119.26 120.18 3ehc h ALA 52 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 3ehc h ALA 52 Cb 1.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ehc h ALA 52 CO 0.08 0.67 -0.75 -0.44 0.00 0.00 0.00 179.25 178.82 3ehc h ASP 53 N 0.70 0.25 -2.47 0.00 3.32 -0.73 -3.40 116.42 114.09 3ehc h ASP 53 Ca 0.06 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 56.34 3ehc h ASP 53 Cb 0.95 -0.08 -0.39 0.00 0.22 0.00 0.00 39.33 40.03 3ehc h ASP 53 CO 0.09 0.91 -0.88 -0.38 -1.72 0.00 0.00 179.24 177.25 3ehc n ILE 54 N -3.76 -0.34 -0.26 0.35 5.41 0.26 -1.18 119.36 119.85 3ehc n ILE 54 Ca -0.03 -3.91 0.17 0.00 1.00 0.00 0.00 62.75 59.98 3ehc n ILE 54 Cb 0.72 -1.83 0.46 0.00 -0.71 0.00 0.00 39.64 38.27 3ehc n ILE 54 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3ehc h PRO 55 N 5.30 0.50 -0.57 0.38 0.11 -1.73 -1.56 132.00 134.42 3ehc h PRO 55 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ehc h PRO 55 Cb 0.86 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ehc h PRO 55 CO 0.48 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3ehc n ASP 56 N -4.55 2.68 -4.73 -2.05 5.75 -1.26 -4.96 116.55 107.43 3ehc n ASP 56 Ca 0.19 -2.22 -0.42 0.00 -0.01 0.00 0.00 54.79 52.32 3ehc n ASP 56 Cb 0.63 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 3ehc n ASP 56 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3ehc n LEU 57 N 0.47 4.04 -3.72 -2.12 7.94 -0.59 -4.84 117.00 118.18 3ehc n LEU 57 Ca 0.13 1.18 -0.12 0.00 -1.11 0.00 0.00 56.01 56.09 3ehc n LEU 57 Cb 0.51 -1.54 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 3ehc n LEU 57 CO 0.12 -0.11 0.06 -0.60 -1.11 0.00 0.00 177.39 175.76 3ehc s ARG 58 N -1.16 0.43 -0.23 1.96 3.52 -1.26 -4.96 118.95 117.24 3ehc s ARG 58 Ca 0.60 0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 56.77 3ehc s ARG 58 Cb -0.54 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3ehc s ARG 58 CO 0.55 -0.10 0.11 -0.06 -0.81 0.00 0.00 175.30 174.99 3ehc s PHE 59 N 0.70 3.20 -0.14 5.12 0.40 -1.26 -4.78 117.98 121.23 3ehc s PHE 59 Ca -0.04 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 3ehc s PHE 59 Cb -0.05 -2.22 0.07 0.00 0.51 0.00 0.00 43.02 41.32 3ehc s PHE 59 CO -0.05 -0.09 0.24 -2.00 0.70 0.00 0.00 175.22 174.03 3ehc s GLU 60 N 1.17 0.14 -0.08 0.44 2.56 -1.26 -4.92 118.70 116.75 3ehc s GLU 60 Ca 0.06 0.63 -0.25 0.00 0.00 0.00 0.00 54.97 55.41 3ehc s GLU 60 Cb -0.14 -0.26 -0.03 0.00 2.00 0.00 0.00 34.13 35.69 3ehc s GLU 60 CO 0.04 -0.36 0.77 0.00 -0.56 0.00 0.00 175.26 175.16 3ehc s ALA 61 N 2.39 3.35 -0.11 6.30 0.00 -1.26 -1.83 121.76 130.60 3ehc s ALA 61 Ca 0.03 0.17 0.12 0.00 0.00 0.00 0.00 51.96 52.28 3ehc s ALA 61 Cb -0.13 -3.08 -0.24 0.00 0.00 0.00 0.00 23.12 19.68 3ehc s ALA 61 CO -0.09 -0.25 0.40 0.39 0.00 0.00 0.00 175.76 176.21 3ehc n GLU 62 N 4.14 0.66 -4.07 0.00 1.02 0.13 -4.91 120.64 117.61 3ehc n GLU 62 Ca 0.01 0.19 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 3ehc n GLU 62 Cb 0.51 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.09 3ehc n GLU 62 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ehc s ILE 63 N -2.56 0.34 -0.08 -3.67 1.01 -1.12 -4.98 121.20 110.14 3ehc s ILE 63 Ca -0.10 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3ehc s ILE 63 Cb 0.07 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3ehc s ILE 63 CO 0.81 0.14 -0.16 -0.76 0.00 0.00 0.00 174.94 174.97 3ehc s LEU 64 N 0.47 1.77 -0.06 2.97 1.43 -1.26 -0.90 118.68 123.10 3ehc s LEU 64 Ca -0.05 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3ehc s LEU 64 Cb -0.08 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.15 3ehc s LEU 64 CO -0.01 0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 175.84 3ehc s VAL 65 N 0.60 1.03 0.07 -1.59 1.01 -0.20 -5.00 120.40 116.31 3ehc s VAL 65 Ca -0.15 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 3ehc s VAL 65 Cb -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3ehc s VAL 65 CO 0.05 0.33 0.22 -0.94 0.00 0.00 0.00 175.10 174.76 3ehc s SER 66 N 0.75 0.05 0.00 3.32 1.04 -1.26 -0.49 113.70 117.11 3ehc s SER 66 Ca -0.13 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3ehc s SER 66 Cb -0.15 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3ehc s SER 66 CO 0.03 -0.68 0.00 -0.90 0.98 0.00 0.00 173.24 172.67 3ehc n ASP 67 N 0.19 0.18 -0.06 7.02 5.68 -0.40 -5.01 116.55 124.15 3ehc n ASP 67 Ca -0.16 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.04 3ehc n ASP 67 Cb 0.61 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.67 3ehc n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ehc h ALA 68 N 1.00 0.82 0.00 2.12 0.00 -2.03 -3.36 119.26 117.81 3ehc h ALA 68 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ehc h ALA 68 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ehc h ALA 68 CO 0.00 0.64 -0.22 0.25 0.00 0.00 0.00 179.25 179.92 3ehc n THR 69 N -4.07 0.00 -4.17 0.00 -2.24 -1.26 -4.93 114.28 97.60 3ehc n THR 69 Ca -0.01 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 3ehc n THR 69 Cb 0.49 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 3ehc n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ehc s ARG 70 N -1.25 0.84 -0.00 -0.78 0.52 -1.26 -0.75 118.95 116.27 3ehc s ARG 70 Ca 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 3ehc s ARG 70 Cb 0.00 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.79 3ehc s ARG 70 CO 0.02 0.13 -0.01 -1.17 0.02 0.00 0.00 175.30 174.30 3ehc s LEU 71 N -2.09 1.86 -0.06 2.53 0.20 -0.90 -1.28 118.68 118.94 3ehc s LEU 71 Ca 0.02 -0.02 0.06 0.00 0.69 0.00 0.00 54.13 54.88 3ehc s LEU 71 Cb -0.07 -0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.61 3ehc s LEU 71 CO 0.01 -0.01 -0.25 0.00 -0.29 0.00 0.00 176.35 175.82 3ehc s ALA 72 N 0.15 2.16 -0.04 5.97 0.00 0.36 -0.40 121.76 129.96 3ehc s ALA 72 Ca -0.01 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3ehc s ALA 72 Cb -0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3ehc s ALA 72 CO -0.00 0.42 -0.17 0.00 0.00 0.00 0.00 175.76 176.01 3ehc s ALA 73 N -0.18 1.49 -0.38 0.00 0.00 -0.18 -1.04 121.76 121.48 3ehc s ALA 73 Ca -0.03 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 3ehc s ALA 73 Cb -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3ehc s ALA 73 CO 0.04 0.28 0.28 0.50 0.00 0.00 0.00 175.76 176.86 3ehc s ARG 74 N -0.01 3.20 -0.13 0.00 3.52 -0.08 -1.72 118.95 123.74 3ehc s ARG 74 Ca -0.02 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 3ehc s ARG 74 Cb -0.11 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 3ehc s ARG 74 CO 0.02 -0.63 0.03 -0.51 -0.81 0.00 0.00 175.30 173.40 3ehc s LEU 75 N 1.72 3.72 -0.15 -0.88 1.43 -0.35 0.17 118.68 124.34 3ehc s LEU 75 Ca 0.06 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3ehc s LEU 75 Cb -0.18 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3ehc s LEU 75 CO 0.10 0.30 -0.06 0.12 0.23 0.00 0.00 176.35 177.04 3ehc s PHE 76 N -0.39 2.96 -0.08 0.29 5.36 -0.76 -1.39 117.98 123.97 3ehc s PHE 76 Ca 0.08 -0.42 0.04 0.00 -0.96 0.00 0.00 56.93 55.68 3ehc s PHE 76 Cb -0.12 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3ehc s PHE 76 CO 0.02 -0.10 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.41 3ehc s PHE 77 N 0.40 2.59 -0.27 10.12 0.08 0.29 -4.32 117.98 126.87 3ehc s PHE 77 Ca -0.06 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.28 3ehc s PHE 77 Cb -0.15 -1.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.70 3ehc s PHE 77 CO 0.04 -0.21 0.04 0.34 -0.10 0.00 0.00 175.22 175.33 3ehc s ASP 78 N 0.01 3.78 0.33 1.36 2.15 -1.26 -1.61 116.67 121.43 3ehc s ASP 78 Ca -0.07 -1.38 -0.18 0.00 0.43 0.00 0.00 52.55 51.35 3ehc s ASP 78 Cb -0.15 -0.93 0.04 0.00 -0.30 0.00 0.00 42.92 41.57 3ehc s ASP 78 CO 0.05 -0.35 0.75 0.00 -0.17 0.00 0.00 175.17 175.45 3ehc n THR 80 N -0.49 0.10 -1.67 0.00 -1.04 -1.26 -0.51 114.28 109.40 3ehc n THR 80 Ca -0.06 -4.11 -0.46 0.00 -2.04 0.00 0.00 64.05 57.38 3ehc n THR 80 Cb 0.59 -1.90 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 3ehc n THR 80 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ehc n PRO 81 N 2.32 2.16 0.03 -2.82 -0.02 -1.26 -4.45 135.00 130.96 3ehc n PRO 81 Ca 0.26 0.78 0.01 0.00 -2.02 0.00 0.00 63.50 62.53 3ehc n PRO 81 Cb 0.43 -2.56 0.35 0.00 -0.02 0.00 0.00 33.50 31.70 3ehc n PRO 81 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ehc h LYS 82 N 6.39 0.47 0.00 -0.52 1.57 -1.50 0.11 116.57 123.08 3ehc h LYS 82 Ca -0.45 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3ehc h LYS 82 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3ehc h LYS 82 CO 0.90 0.47 0.00 0.45 -0.57 0.00 0.00 179.45 180.69 3ehc n SER 83 N -4.33 0.27 -4.72 0.86 2.88 -1.26 -2.71 113.62 104.61 3ehc n SER 83 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 3ehc n SER 83 Cb 0.20 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 3ehc n SER 83 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3ehc s ILE 84 N 2.85 4.42 -0.32 2.46 -1.09 -1.26 -0.97 121.20 127.29 3ehc s ILE 84 Ca 0.00 1.86 0.18 0.00 -2.23 0.00 0.00 60.65 60.46 3ehc s ILE 84 Cb 0.00 -4.19 0.46 0.00 -1.58 0.00 0.00 42.46 37.15 3ehc s ILE 84 CO 0.00 0.22 0.98 0.33 -1.23 0.00 0.00 174.94 175.24 3ehc n PHE 85 N 3.32 0.96 0.00 3.97 7.35 -1.26 -4.89 117.46 126.91 3ehc n PHE 85 Ca 0.05 -2.71 0.00 0.00 -0.76 0.00 0.00 57.45 54.03 3ehc n PHE 85 Cb 0.49 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.05 3ehc n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3ehc n ASP 87 N -0.12 0.00 -4.44 -2.13 8.00 -1.26 -4.73 116.55 111.88 3ehc n ASP 87 Ca 0.08 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 3ehc n ASP 87 Cb 0.82 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.79 3ehc n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ehc s LEU 88 N 0.00 2.54 -1.34 0.64 1.43 -1.26 -5.05 118.68 115.64 3ehc s LEU 88 Ca 0.00 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 3ehc s LEU 88 Cb 0.00 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.75 3ehc s LEU 88 CO 0.00 0.24 2.17 -0.81 0.23 0.00 0.00 176.35 178.18 3ehc n PRO 89 N 1.43 2.63 -0.03 1.29 -0.04 -1.26 -4.25 135.00 134.77 3ehc n PRO 89 Ca -0.16 -2.49 -0.13 0.00 -0.04 0.00 0.00 63.50 60.68 3ehc n PRO 89 Cb 0.52 -3.23 -0.09 0.00 -0.04 0.00 0.00 33.50 30.66 3ehc n PRO 89 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ehc h VAL 90 N 4.11 1.36 -6.26 0.52 2.07 -1.84 -3.48 116.25 112.74 3ehc h VAL 90 Ca 0.54 -1.19 -0.45 0.00 0.82 0.00 0.00 66.70 66.43 3ehc h VAL 90 Cb 0.65 2.02 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3ehc h VAL 90 CO 1.89 0.33 -0.87 0.59 0.02 0.00 0.00 177.57 179.53 3ehc n ASN 91 N -4.74 -1.67 0.00 0.57 3.02 -0.14 -2.36 115.26 109.94 3ehc n ASN 91 Ca -0.07 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3ehc n ASN 91 Cb 0.29 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3ehc n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ehc n GLY 92 N -1.75 0.75 3.76 7.41 0.00 0.37 -4.86 105.19 110.88 3ehc n GLY 92 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3ehc n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ehc s ARG 93 N -0.42 4.75 -0.00 1.61 0.52 -1.00 -4.93 118.95 119.48 3ehc s ARG 93 Ca 0.00 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.29 3ehc s ARG 93 Cb 0.00 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 3ehc s ARG 93 CO 0.00 0.50 0.97 0.50 0.02 0.00 0.00 175.30 177.29 3ehc s ARG 94 N -1.31 4.56 0.05 3.54 3.52 -1.26 -4.20 118.95 123.85 3ehc s ARG 94 Ca 0.41 1.41 0.02 0.00 -0.13 0.00 0.00 55.73 57.45 3ehc s ARG 94 Cb -0.24 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3ehc s ARG 94 CO 0.29 -0.05 -0.08 0.14 -0.81 0.00 0.00 175.30 174.79 3ehc s VAL 95 N 1.01 0.61 -0.11 7.11 -7.23 0.33 -4.95 120.40 117.17 3ehc s VAL 95 Ca 0.52 -1.21 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3ehc s VAL 95 Cb -0.21 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 3ehc s VAL 95 CO 0.28 -0.44 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.31 3ehc s GLN 96 N -1.90 3.10 0.14 4.82 1.11 -1.26 -1.38 119.66 124.29 3ehc s GLN 96 Ca -0.06 -0.85 -0.18 0.00 0.01 0.00 0.00 55.36 54.27 3ehc s GLN 96 Cb -0.08 -2.36 0.05 0.00 -1.01 0.00 0.00 33.01 29.61 3ehc s GLN 96 CO -0.00 0.17 0.48 -0.59 0.01 0.00 0.00 175.29 175.36 3ehc s PHE 97 N 0.37 -0.31 0.22 0.91 -0.71 -0.63 -4.62 117.98 113.21 3ehc s PHE 97 Ca -0.17 0.02 0.08 0.00 -1.04 0.00 0.00 56.93 55.82 3ehc s PHE 97 Cb -0.18 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 3ehc s PHE 97 CO 0.08 -0.77 0.05 0.00 -1.34 0.00 0.00 175.22 173.24 3ehc s GLU 99 N -3.42 2.74 -0.23 0.00 2.12 -0.48 -1.12 118.70 118.31 3ehc s GLU 99 Ca 0.30 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 3ehc s GLU 99 Cb -0.08 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.15 3ehc s GLU 99 CO 0.21 0.25 -0.05 -1.01 -0.54 0.00 0.00 175.26 174.12 3ehc s HIS 100 N 0.16 2.99 -0.01 5.30 3.76 -0.23 -1.21 115.29 126.05 3ehc s HIS 100 Ca -0.12 -1.18 0.02 0.00 -0.15 0.00 0.00 55.06 53.62 3ehc s HIS 100 Cb -0.16 -2.09 -0.00 0.00 1.11 0.00 0.00 32.58 31.44 3ehc s HIS 100 CO 0.06 -0.63 -0.06 0.54 -0.85 0.00 0.00 174.74 173.81 3ehc s VAL 101 N 1.42 0.49 -0.08 -0.90 0.11 -0.70 -1.61 120.40 119.13 3ehc s VAL 101 Ca 0.04 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3ehc s VAL 101 Cb -0.15 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3ehc s VAL 101 CO -0.04 0.15 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.42 3ehc s PHE 102 N 0.02 2.85 -0.06 1.54 0.40 0.12 -1.01 117.98 121.83 3ehc s PHE 102 Ca 0.00 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 3ehc s PHE 102 Cb -0.04 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 3ehc s PHE 102 CO -0.00 0.19 -0.22 0.71 0.70 0.00 0.00 175.22 176.60 3ehc s TYR 103 N -0.56 2.24 -0.20 0.36 1.51 0.46 -0.88 117.35 120.28 3ehc s TYR 103 Ca 0.08 -0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 55.29 3ehc s TYR 103 Cb -0.12 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 3ehc s TYR 103 CO 0.02 -0.25 0.26 -0.51 -1.11 0.00 0.00 175.55 173.96 3ehc s ASP 104 N 0.03 6.31 -0.02 2.29 1.01 0.07 -2.13 116.67 124.23 3ehc s ASP 104 Ca -0.07 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 3ehc s ASP 104 Cb -0.14 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3ehc s ASP 104 CO 0.04 0.04 0.09 -0.36 0.21 0.00 0.00 175.17 175.20 3ehc s PHE 105 N 0.90 3.32 -0.09 4.23 0.40 0.07 -0.84 117.98 125.97 3ehc s PHE 105 Ca 0.13 0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.69 3ehc s PHE 105 Cb -0.13 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.66 3ehc s PHE 105 CO 0.05 0.57 0.03 -2.00 0.70 0.00 0.00 175.22 174.56 3ehc s GLU 106 N -1.61 0.37 -1.31 0.44 2.12 0.16 -4.87 118.70 114.00 3ehc s GLU 106 Ca 0.22 0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.60 3ehc s GLU 106 Cb -0.12 -1.10 -0.00 0.00 0.26 0.00 0.00 34.13 33.17 3ehc s GLU 106 CO 0.12 -0.40 0.61 1.04 -0.54 0.00 0.00 175.26 176.10 3ehc n GLN 107 N 5.19 -3.68 -1.02 4.30 6.02 -1.26 -2.18 117.38 124.75 3ehc n GLN 107 Ca -0.06 0.52 -0.01 0.00 -0.01 0.00 0.00 57.00 57.44 3ehc n GLN 107 Cb 0.50 -4.79 -0.00 0.00 1.02 0.00 0.00 30.24 26.97 3ehc n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ehc n ALA 108 N -4.28 -0.01 -2.57 -1.58 0.00 -1.26 -5.00 120.51 105.81 3ehc n ALA 108 Ca -0.27 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 3ehc n ALA 108 Cb 0.67 -0.69 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 3ehc n ALA 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ehc s LYS 109 N -1.00 1.10 0.04 0.00 1.02 -0.93 -4.80 119.74 115.17 3ehc s LYS 109 Ca 0.00 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 3ehc s LYS 109 Cb 0.00 -1.25 -0.07 0.00 -0.52 0.00 0.00 37.83 35.99 3ehc s LYS 109 CO 0.00 0.30 1.57 0.42 -0.92 0.00 0.00 175.35 176.72 3ehc s ILE 110 N -1.05 3.26 -0.07 2.17 1.01 0.12 -0.67 121.20 125.98 3ehc s ILE 110 Ca 0.04 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.39 3ehc s ILE 110 Cb -0.09 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3ehc s ILE 110 CO 0.03 -0.00 -0.05 -1.14 0.00 0.00 0.00 174.94 173.77 3ehc n ARG 111 N 5.56 0.50 -4.01 2.79 3.00 -0.02 -0.63 116.66 123.86 3ehc n ARG 111 Ca 0.15 0.03 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 3ehc n ARG 111 Cb 0.42 -1.14 -0.14 0.00 0.00 0.00 0.00 32.46 31.60 3ehc n ARG 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3ehc s ARG 112 N -2.14 0.23 -0.02 -0.14 0.52 -1.08 -2.00 118.95 114.32 3ehc s ARG 112 Ca -0.08 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 3ehc s ARG 112 Cb 0.02 -0.18 -0.00 0.00 0.52 0.00 0.00 34.95 35.31 3ehc s ARG 112 CO 0.16 0.05 -0.11 0.08 0.02 0.00 0.00 175.30 175.50 3ehc s VAL 113 N -0.24 0.91 -0.17 3.52 1.01 -0.11 -0.75 120.40 124.58 3ehc s VAL 113 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3ehc s VAL 113 Cb -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.59 3ehc s VAL 113 CO -0.00 0.27 -0.12 0.26 0.00 0.00 0.00 175.10 175.51 3ehc s TRP 114 N 0.05 2.21 -0.04 5.22 0.51 -0.06 -1.13 118.94 125.69 3ehc s TRP 114 Ca -0.01 -1.32 0.05 0.00 -2.12 0.00 0.00 56.10 52.69 3ehc s TRP 114 Cb -0.08 -1.59 -0.01 0.00 -0.81 0.00 0.00 33.47 30.99 3ehc s TRP 114 CO 0.00 -0.69 -0.19 0.45 -0.51 0.00 0.00 176.95 176.02 3ehc s SER 115 N 1.47 2.35 -0.09 2.95 0.15 -1.26 -0.71 113.70 118.56 3ehc s SER 115 Ca 0.03 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.32 3ehc s SER 115 Cb -0.14 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.61 3ehc s SER 115 CO -0.10 0.19 -0.15 -0.69 1.20 0.00 0.00 173.24 173.69 3ehc s VAL 116 N -0.10 1.40 0.04 4.45 1.01 -0.64 -4.98 120.40 121.58 3ehc s VAL 116 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ehc s VAL 116 Cb -0.11 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ehc s VAL 116 CO 0.02 0.42 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 3ehc s LEU 117 N 0.83 4.27 -1.15 3.92 1.43 -1.26 -1.07 118.68 125.66 3ehc s LEU 117 Ca -0.11 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 3ehc s LEU 117 Cb -0.15 -2.76 0.10 0.00 0.03 0.00 0.00 46.19 43.41 3ehc s LEU 117 CO 0.01 0.21 1.49 -0.62 0.23 0.00 0.00 176.35 177.67 3ehc s ASP 118 N -2.27 6.78 0.29 2.29 2.15 -0.27 -4.80 116.67 120.84 3ehc s ASP 118 Ca 0.31 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 51.01 3ehc s ASP 118 Cb -0.13 -2.50 0.44 0.00 -0.30 0.00 0.00 42.92 40.43 3ehc s ASP 118 CO 0.24 -1.12 1.82 0.50 -0.17 0.00 0.00 175.17 176.43 3ehc h LYS 119 N 8.21 0.72 -0.97 4.34 3.64 -1.96 -3.05 116.57 127.50 3ehc h LYS 119 Ca 0.31 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3ehc h LYS 119 Cb 0.93 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 3ehc h LYS 119 CO 1.34 0.71 0.64 0.28 -2.27 0.00 0.00 179.45 180.14 3ehc h VAL 120 N 0.69 1.21 -0.74 2.00 2.07 -2.00 -1.38 116.25 118.11 3ehc h VAL 120 Ca 0.15 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ehc h VAL 120 Cb 0.36 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 3ehc h VAL 120 CO 0.01 0.23 0.45 0.00 0.02 0.00 0.00 177.57 178.28 3ehc h ALA 121 N 1.38 0.98 -0.20 1.67 0.00 -1.89 -1.35 119.26 119.84 3ehc h ALA 121 Ca 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3ehc h ALA 121 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ehc h ALA 121 CO -0.10 0.20 -0.04 0.82 0.00 0.00 0.00 179.25 180.13 3ehc h ILE 122 N 0.86 1.28 -0.74 0.00 2.04 -1.48 -2.55 117.51 116.92 3ehc h ILE 122 Ca 0.31 -1.01 0.14 0.00 1.00 0.00 0.00 64.86 65.30 3ehc h ILE 122 Cb 0.08 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 3ehc h ILE 122 CO -0.14 0.31 0.27 -0.33 0.00 0.00 0.00 178.15 178.26 3ehc h GLU 123 N 0.11 0.39 -0.05 2.37 5.08 -0.99 -1.48 114.58 120.00 3ehc h GLU 123 Ca 0.05 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3ehc h GLU 123 Cb 0.48 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ehc h GLU 123 CO 0.02 0.26 -0.38 0.00 -1.00 0.00 0.00 179.01 177.91 3ehc h ARG 124 N 0.40 0.11 0.00 2.33 3.08 -1.06 -1.15 114.38 118.09 3ehc h ARG 124 Ca 0.41 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.27 3ehc h ARG 124 Cb 0.64 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3ehc h ARG 124 CO -0.42 0.48 -0.67 1.96 -1.07 0.00 0.00 179.97 180.25 3ehc h GLN 125 N 0.10 0.00 0.00 0.04 4.20 -0.88 -3.21 115.11 115.36 3ehc h GLN 125 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3ehc h GLN 125 Cb 0.72 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3ehc h GLN 125 CO 0.05 0.67 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.27 3ehc h LEU 126 N 0.00 0.00 -0.63 1.46 3.38 -1.03 -3.52 115.31 114.97 3ehc h LEU 126 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ehc h LEU 126 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3ehc h LEU 126 CO 0.09 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.27