#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ewl s ASN -1 N 0.00 6.38 0.20 6.43 0.02 -1.26 -4.95 114.94 121.76 3ewl s ASN -1 Ca 0.00 1.85 -0.30 0.00 -1.02 0.00 0.00 52.86 53.39 3ewl s ASN -1 Cb 0.00 -2.55 -0.16 0.00 0.02 0.00 0.00 41.25 38.56 3ewl s ASN -1 CO 0.00 -0.75 0.84 0.00 0.02 0.00 0.00 177.10 177.21 3ewl n ALA 0 N -1.10 -1.81 -1.34 0.60 0.00 -1.26 -4.66 120.51 110.93 3ewl n ALA 0 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3ewl n ALA 0 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3ewl n ALA 0 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ewl n GLY 1 N 1.74 0.95 3.59 0.00 0.00 0.37 -4.97 105.19 106.87 3ewl n GLY 1 Ca 0.15 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3ewl n GLY 1 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ewl s LYS 3 N -2.66 3.87 0.21 1.61 2.20 -1.26 -4.72 119.74 118.99 3ewl s LYS 3 Ca 0.00 0.20 -0.32 0.00 -0.36 0.00 0.00 55.97 55.49 3ewl s LYS 3 Cb 0.00 -3.73 -0.13 0.00 -1.51 0.00 0.00 37.83 32.46 3ewl s LYS 3 CO 0.00 -0.54 1.49 0.00 -0.36 0.00 0.00 175.35 175.94 3ewl n ALA 4 N 5.78 1.37 -1.67 3.13 0.00 -0.16 -4.87 120.51 124.08 3ewl n ALA 4 Ca -0.03 0.42 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 3ewl n ALA 4 Cb 0.49 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 3ewl n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ewl n ALA 5 N 2.53 1.35 -2.09 0.00 0.00 -1.26 -4.99 120.51 116.05 3ewl n ALA 5 Ca 0.13 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 3ewl n ALA 5 Cb 0.31 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 3ewl n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ewl s ASP 6 N 0.63 6.82 0.23 0.00 2.15 -1.26 -5.01 116.67 120.23 3ewl s ASP 6 Ca 0.73 1.35 -0.18 0.00 0.43 0.00 0.00 52.55 54.88 3ewl s ASP 6 Cb -0.65 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 39.59 3ewl s ASP 6 CO 0.43 -0.21 0.59 0.72 -0.17 0.00 0.00 175.17 176.52 3ewl s PHE 7 N -1.98 -0.09 0.32 -5.34 -0.12 -1.26 -5.05 117.98 104.46 3ewl s PHE 7 Ca 0.55 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 57.21 3ewl s PHE 7 Cb -0.10 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 3ewl s PHE 7 CO 0.17 -1.03 0.38 0.95 -0.05 0.00 0.00 175.22 175.64 3ewl s THR 8 N -3.90 4.04 0.17 -4.49 -4.23 -1.26 -4.39 115.64 101.57 3ewl s THR 8 Ca 0.11 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.29 3ewl s THR 8 Cb -0.03 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.47 3ewl s THR 8 CO 0.02 -0.19 0.52 -0.72 -0.54 0.00 0.00 174.62 173.70 3ewl s TYR 9 N -2.20 -0.25 0.09 3.99 -0.85 -0.41 -4.48 117.35 113.24 3ewl s TYR 9 Ca 0.42 -0.05 0.09 0.00 -0.52 0.00 0.00 57.07 57.01 3ewl s TYR 9 Cb -0.08 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 3ewl s TYR 9 CO 0.29 -0.85 -0.25 0.54 -1.52 0.00 0.00 175.55 173.76 3ewl s VAL 10 N -3.82 2.04 0.41 -3.49 0.11 -0.63 -1.76 120.40 113.25 3ewl s VAL 10 Ca 0.05 -1.54 0.08 0.00 -2.93 0.00 0.00 61.98 57.64 3ewl s VAL 10 Cb -0.00 -1.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 3ewl s VAL 10 CO -0.08 0.15 0.43 0.42 -3.33 0.00 0.00 175.10 172.69 3ewl s THR 11 N -0.98 2.87 0.48 5.04 -4.23 -0.86 -0.65 115.64 117.31 3ewl s THR 11 Ca 0.11 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 3ewl s THR 11 Cb -0.10 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.98 3ewl s THR 11 CO 0.04 -0.02 2.10 0.58 -0.54 0.00 0.00 174.62 176.78 3ewl h VAL 12 N 0.93 0.82 -0.15 2.29 2.07 -1.92 0.11 116.25 120.40 3ewl h VAL 12 Ca -0.41 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3ewl h VAL 12 Cb 1.27 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3ewl h VAL 12 CO 0.54 0.09 0.00 1.41 0.02 0.00 0.00 177.57 179.63 3ewl n HIS 13 N -4.07 0.34 -1.01 1.57 8.25 -1.26 -4.89 115.22 114.16 3ewl n HIS 13 Ca -0.02 -0.14 -0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3ewl n HIS 13 Cb 0.18 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 3ewl n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ewl n GLY 14 N 0.47 0.32 3.68 -1.41 0.00 0.36 -5.00 105.19 103.62 3ewl n GLY 14 Ca 0.06 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ewl n GLY 14 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ewl s ASP 15 N -2.02 7.15 -0.10 1.61 1.47 -1.26 -4.83 116.67 118.69 3ewl s ASP 15 Ca 0.00 1.42 -0.15 0.00 1.18 0.00 0.00 52.55 55.00 3ewl s ASP 15 Cb 0.00 -2.53 -0.05 0.00 -0.34 0.00 0.00 42.92 40.00 3ewl s ASP 15 CO 0.00 -0.47 0.37 0.20 0.68 0.00 0.00 175.17 175.95 3ewl s ASN 16 N 1.12 6.62 0.23 2.11 -0.87 -1.26 -2.03 114.94 120.86 3ewl s ASN 16 Ca 0.45 0.73 -0.14 0.00 -1.57 0.00 0.00 52.86 52.33 3ewl s ASN 16 Cb -0.17 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 38.83 3ewl s ASN 16 CO 0.15 0.15 0.48 -0.55 -2.57 0.00 0.00 177.10 174.76 3ewl s SER 17 N -0.01 -0.12 0.00 -1.22 0.15 -0.72 -4.99 113.70 106.80 3ewl s SER 17 Ca 0.21 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.04 3ewl s SER 17 Cb -0.15 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3ewl s SER 17 CO 0.09 -1.11 0.00 -1.14 1.20 0.00 0.00 173.24 172.27 3ewl n ARG 18 N -0.36 3.29 0.00 5.44 0.63 -1.26 -1.29 116.66 123.11 3ewl n ARG 18 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3ewl n ARG 18 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 3ewl n ARG 18 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3ewl n SER 20 N 0.00 0.00 -0.01 6.15 3.41 -1.26 -3.72 113.62 118.19 3ewl n SER 20 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3ewl n SER 20 Cb 0.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.56 3ewl n SER 20 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ewl n ARG 21 N 0.00 0.15 -2.76 4.33 5.12 -1.26 -4.64 116.66 117.60 3ewl n ARG 21 Ca 0.00 -0.02 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 3ewl n ARG 21 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 3ewl n ARG 21 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ewl s LEU 22 N -2.86 3.91 0.13 0.55 2.96 -1.24 -5.02 118.68 117.11 3ewl s LEU 22 Ca 0.18 -0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 3ewl s LEU 22 Cb 0.19 -2.95 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 3ewl s LEU 22 CO 0.53 -1.29 0.82 -1.59 -1.32 0.00 0.00 176.35 173.50 3ewl s LYS 23 N 4.22 4.60 -0.15 1.98 0.00 -1.26 -5.04 119.74 124.10 3ewl s LYS 23 Ca 0.34 1.21 -0.34 0.00 0.00 0.00 0.00 55.97 57.19 3ewl s LYS 23 Cb -0.11 -3.31 0.13 0.00 0.00 0.00 0.00 37.83 34.54 3ewl s LYS 23 CO 0.21 0.42 1.18 0.00 0.00 0.00 0.00 175.35 177.17 3ewl s ALA 24 N -0.64 -2.06 0.22 0.59 0.00 -1.26 -4.99 121.76 113.62 3ewl s ALA 24 Ca 0.39 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.72 3ewl s ALA 24 Cb -0.23 0.00 0.20 0.00 0.00 0.00 0.00 23.12 23.10 3ewl s ALA 24 CO 0.26 -0.66 1.70 0.37 0.00 0.00 0.00 175.76 177.44 3ewl h GLN 25 N 2.00 0.93 -4.31 0.00 5.75 -1.77 -3.40 115.11 114.31 3ewl h GLN 25 Ca -0.13 -0.27 -0.27 0.00 -0.15 0.00 0.00 58.65 57.83 3ewl h GLN 25 Cb 1.18 -0.10 -0.24 0.00 1.07 0.00 0.00 27.48 29.39 3ewl h GLN 25 CO 0.24 0.92 -0.73 0.71 -2.65 0.00 0.00 178.83 177.32 3ewl s TYR 26 N -5.01 0.47 0.00 3.99 2.02 -0.40 -2.18 117.35 116.25 3ewl s TYR 26 Ca -0.11 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 3ewl s TYR 26 Cb 0.14 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.41 3ewl s TYR 26 CO 0.83 -0.07 0.00 2.41 -1.57 0.00 0.00 175.55 177.16 3ewl n THR 27 N 2.12 0.00 -3.69 -0.71 -1.04 -0.59 -1.50 114.28 108.88 3ewl n THR 27 Ca -0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.72 3ewl n THR 27 Cb 0.56 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.98 3ewl n THR 27 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ewl s LEU 29 N 0.00 -0.22 -0.38 -4.42 1.43 0.13 0.03 118.68 115.26 3ewl s LEU 29 Ca 0.00 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 3ewl s LEU 29 Cb 0.00 1.64 0.11 0.00 0.03 0.00 0.00 46.19 47.97 3ewl s LEU 29 CO 0.00 -0.20 0.12 0.12 0.23 0.00 0.00 176.35 176.62 3ewl s PHE 30 N 1.19 3.04 -0.22 0.29 5.36 -0.27 -1.99 117.98 125.37 3ewl s PHE 30 Ca -0.07 -2.70 -0.24 0.00 -0.96 0.00 0.00 56.93 52.95 3ewl s PHE 30 Cb -0.07 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 3ewl s PHE 30 CO -0.11 -0.88 0.82 -0.06 -1.46 0.00 0.00 175.22 173.52 3ewl s PHE 31 N 0.79 3.34 0.27 10.12 0.08 -0.14 -0.71 117.98 131.72 3ewl s PHE 31 Ca 0.12 1.15 0.02 0.00 0.12 0.00 0.00 56.93 58.35 3ewl s PHE 31 Cb -0.20 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3ewl s PHE 31 CO -0.09 -0.35 0.16 1.52 -0.10 0.00 0.00 175.22 176.36 3ewl s TYR 32 N 2.61 1.47 0.02 0.36 -0.85 -0.85 -1.68 117.35 118.43 3ewl s TYR 32 Ca 0.35 -1.41 0.07 0.00 -0.52 0.00 0.00 57.07 55.57 3ewl s TYR 32 Cb -0.16 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.43 3ewl s TYR 32 CO 0.09 -0.60 -0.21 0.34 -1.52 0.00 0.00 175.55 173.64 3ewl s ASP 33 N -3.29 2.52 0.62 -0.18 2.15 -1.26 -4.36 116.67 112.86 3ewl s ASP 33 Ca 0.38 -0.48 0.39 0.00 0.43 0.00 0.00 52.55 53.27 3ewl s ASP 33 Cb 0.06 -0.23 2.01 0.00 -0.30 0.00 0.00 42.92 44.46 3ewl s ASP 33 CO 0.17 0.20 2.23 1.55 -0.17 0.00 0.00 175.17 179.15 3ewl h PRO 34 N 5.11 0.00 -3.14 4.34 0.13 -1.94 -3.25 132.00 133.26 3ewl h PRO 34 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.05 3ewl h PRO 34 Cb 1.15 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.89 3ewl h PRO 34 CO 0.45 0.01 -0.34 -3.47 -0.23 0.00 0.00 178.00 174.43 3ewl n ASP 35 N -3.18 3.66 -3.21 1.44 2.03 -1.26 -4.99 116.55 111.04 3ewl n ASP 35 Ca -0.02 -3.20 -0.00 0.00 0.52 0.00 0.00 54.79 52.09 3ewl n ASP 35 Cb 0.15 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 3ewl n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ewl h SER 37 N 8.06 0.06 -0.08 0.00 4.64 -1.94 -0.91 113.55 123.38 3ewl h SER 37 Ca -0.11 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3ewl h SER 37 Cb 1.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3ewl h SER 37 CO 0.22 0.11 -0.18 0.78 -0.87 0.00 0.00 176.83 176.89 3ewl h ASN 38 N 0.07 0.44 -0.07 4.97 2.35 -1.95 -1.03 115.58 120.35 3ewl h ASN 38 Ca 0.02 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3ewl h ASN 38 Cb 0.11 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3ewl h ASN 38 CO 0.01 0.64 -0.02 0.00 -1.65 0.00 0.00 177.43 176.40 3ewl h ARG 40 N -0.20 0.40 -0.46 0.00 2.47 -1.30 -0.86 114.38 114.42 3ewl h ARG 40 Ca 0.02 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 3ewl h ARG 40 Cb 0.42 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 3ewl h ARG 40 CO 0.01 0.26 0.09 0.87 0.56 0.00 0.00 179.97 181.76 3ewl h LYS 41 N 0.41 0.76 -0.15 0.04 1.57 -1.16 0.67 116.57 118.70 3ewl h LYS 41 Ca 0.31 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3ewl h LYS 41 Cb 0.38 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ewl h LYS 41 CO -0.31 0.76 0.07 0.35 -0.57 0.00 0.00 179.45 179.75 3ewl h PHE 42 N 0.63 0.13 -0.53 -1.35 3.57 -1.08 -0.49 116.94 117.82 3ewl h PHE 42 Ca 0.14 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 3ewl h PHE 42 Cb 0.36 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 3ewl h PHE 42 CO 0.02 0.07 0.11 0.93 -2.23 0.00 0.00 178.31 177.22 3ewl h GLU 43 N 0.15 0.24 -0.46 1.11 5.08 -0.88 0.13 114.58 119.94 3ewl h GLU 43 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3ewl h GLU 43 Cb 0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3ewl h GLU 43 CO -0.04 0.16 0.26 -0.22 -1.00 0.00 0.00 179.01 178.16 3ewl h LYS 44 N 0.25 0.64 -0.20 2.33 3.64 -0.60 -3.02 116.57 119.61 3ewl h LYS 44 Ca 0.27 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.38 3ewl h LYS 44 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3ewl h LYS 44 CO -0.35 0.50 -0.65 1.25 -2.27 0.00 0.00 179.45 177.93 3ewl h LEU 45 N 0.61 0.87 -0.81 5.20 5.85 -0.60 -3.07 115.31 123.36 3ewl h LEU 45 Ca 0.16 -0.51 0.12 0.00 0.84 0.00 0.00 57.88 58.49 3ewl h LEU 45 Cb 0.04 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 3ewl h LEU 45 CO -0.03 1.29 0.42 0.15 -0.34 0.00 0.00 178.44 179.94 3ewl h PHE 46 N 0.55 0.75 0.00 1.25 3.57 -0.74 -1.89 116.94 120.43 3ewl h PHE 46 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ewl h PHE 46 Cb 1.26 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3ewl h PHE 46 CO 0.07 0.24 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 3ewl h ALA 47 N 1.50 1.00 -0.58 2.41 0.00 -1.43 -2.36 119.26 119.80 3ewl h ALA 47 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ewl h ALA 47 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ewl h ALA 47 CO -0.31 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.09 3ewl n GLU 48 N -2.92 4.19 -3.60 0.00 0.28 -0.72 -4.76 120.64 113.11 3ewl n GLU 48 Ca 0.01 -2.87 -0.40 0.00 -0.16 0.00 0.00 57.16 53.74 3ewl n GLU 48 Cb 0.31 -2.06 -0.10 0.00 1.43 0.00 0.00 31.44 31.01 3ewl n GLU 48 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3ewl s ILE 49 N -2.27 4.28 0.22 3.84 1.01 -0.89 -5.02 121.20 122.37 3ewl s ILE 49 Ca 0.50 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3ewl s ILE 49 Cb 0.36 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 39.32 3ewl s ILE 49 CO 0.19 -0.48 1.70 -0.65 0.00 0.00 0.00 174.94 175.70 3ewl h PRO 50 N 8.42 0.93 -0.82 2.79 0.11 -1.86 -0.81 132.00 140.75 3ewl h PRO 50 Ca -0.23 -0.27 0.17 0.00 0.11 0.00 0.00 66.00 65.77 3ewl h PRO 50 Cb 1.09 -0.10 -0.11 0.00 0.11 0.00 0.00 31.00 31.99 3ewl h PRO 50 CO 0.75 0.92 0.34 0.00 -0.21 0.00 0.00 178.00 179.81 3ewl h ALA 51 N 1.13 1.21 -0.17 -0.75 0.00 -1.96 0.52 119.26 119.25 3ewl h ALA 51 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ewl h ALA 51 Cb 0.51 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ewl h ALA 51 CO 0.03 -0.24 -0.06 0.74 0.00 0.00 0.00 179.25 179.72 3ewl h PHE 52 N 0.45 0.39 -0.79 0.00 -1.00 -1.50 -3.11 116.94 111.38 3ewl h PHE 52 Ca 0.47 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 61.15 3ewl h PHE 52 Cb 0.77 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.21 3ewl h PHE 52 CO -0.15 0.63 0.45 -0.24 -1.61 0.00 0.00 178.31 177.39 3ewl h VAL 53 N 0.03 1.23 0.00 -0.55 3.04 -0.80 -1.38 116.25 117.82 3ewl h VAL 53 Ca 0.04 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3ewl h VAL 53 Cb 0.52 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 3ewl h VAL 53 CO 0.02 0.25 0.00 1.21 -1.01 0.00 0.00 177.57 178.04 3ewl n GLU 54 N -4.45 0.10 0.00 4.17 2.13 0.12 -1.14 120.64 121.57 3ewl n GLU 54 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3ewl n GLU 54 Cb 0.08 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3ewl n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ewl n VAL 56 N 0.59 0.00 -0.19 6.31 0.31 -0.52 -1.04 118.33 123.80 3ewl n VAL 56 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ewl n VAL 56 Cb 0.03 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.05 3ewl n VAL 56 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ewl h GLU 57 N 0.00 0.16 -0.34 5.55 5.08 -1.39 -2.63 114.58 121.01 3ewl h GLU 57 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ewl h GLU 57 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ewl h GLU 57 CO 0.00 0.11 0.00 0.27 -1.00 0.00 0.00 179.01 178.39 3ewl n ASN 58 N -5.21 1.77 0.00 1.42 0.23 -0.20 -4.93 115.26 108.33 3ewl n ASN 58 Ca 0.08 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3ewl n ASN 58 Cb 0.32 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 3ewl n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ewl n GLY 59 N 1.00 0.42 0.30 4.83 0.00 -0.99 -4.86 105.19 105.88 3ewl n GLY 59 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3ewl n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ewl h THR 60 N 0.00 1.25 -3.33 2.61 2.02 -1.89 -3.40 112.91 110.17 3ewl h THR 60 Ca 0.00 -1.06 -0.61 0.00 0.77 0.00 0.00 66.41 65.52 3ewl h THR 60 Cb 0.22 0.79 -0.37 0.00 -1.74 0.00 0.00 68.15 67.06 3ewl h THR 60 CO 0.00 0.38 -0.81 -0.22 0.37 0.00 0.00 175.52 175.24 3ewl s LEU 61 N -9.28 2.05 -0.17 2.58 2.96 -1.26 -1.27 118.68 114.28 3ewl s LEU 61 Ca -0.11 -0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 3ewl s LEU 61 Cb 0.14 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 3ewl s LEU 61 CO 0.83 -0.13 0.43 -0.13 -1.32 0.00 0.00 176.35 176.04 3ewl s ARG 62 N 1.45 4.24 -0.26 1.98 1.81 -0.56 -3.88 118.95 123.72 3ewl s ARG 62 Ca 0.01 0.31 -0.11 0.00 -1.72 0.00 0.00 55.73 54.21 3ewl s ARG 62 Cb -0.15 -3.50 -0.05 0.00 -0.45 0.00 0.00 34.95 30.80 3ewl s ARG 62 CO -0.09 0.03 0.19 0.08 -0.68 0.00 0.00 175.30 174.83 3ewl s VAL 63 N 1.07 5.32 -0.40 3.52 1.01 -1.26 -4.34 120.40 125.32 3ewl s VAL 63 Ca 0.22 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 3ewl s VAL 63 Cb -0.15 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.80 3ewl s VAL 63 CO 0.08 0.29 0.19 -0.22 0.00 0.00 0.00 175.10 175.44 3ewl s LEU 64 N 1.43 5.06 -0.23 3.92 2.96 -1.26 -0.62 118.68 129.95 3ewl s LEU 64 Ca 0.08 -1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 51.98 3ewl s LEU 64 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3ewl s LEU 64 CO 0.08 -0.51 0.52 0.00 -1.32 0.00 0.00 176.35 175.11 3ewl s ALA 65 N 1.21 3.57 -0.11 5.97 0.00 0.04 -1.12 121.76 131.31 3ewl s ALA 65 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3ewl s ALA 65 Cb -0.23 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.06 3ewl s ALA 65 CO -0.03 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 175.42 3ewl s ILE 66 N 1.92 1.63 -0.23 0.00 -1.09 0.11 0.44 121.20 123.99 3ewl s ILE 66 Ca 0.23 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.77 3ewl s ILE 66 Cb -0.15 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3ewl s ILE 66 CO 0.09 0.47 0.35 -0.47 -1.23 0.00 0.00 174.94 174.15 3ewl s TYR 67 N 0.90 3.33 -2.05 3.97 5.04 -0.04 -2.00 117.35 126.50 3ewl s TYR 67 Ca -0.08 0.50 0.22 0.00 -2.44 0.00 0.00 57.07 55.27 3ewl s TYR 67 Cb -0.15 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.68 3ewl s TYR 67 CO -0.01 -0.06 1.07 -0.35 -1.34 0.00 0.00 175.55 174.86 3ewl n PRO 68 N 4.67 1.41 0.00 4.97 -0.04 -1.26 -1.74 135.00 143.00 3ewl n PRO 68 Ca -0.09 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 3ewl n PRO 68 Cb 0.51 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3ewl n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ewl n ASP 69 N 0.13 0.27 -0.02 3.54 8.00 -1.26 -4.61 116.55 122.60 3ewl n ASP 69 Ca 0.09 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.63 3ewl n ASP 69 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 3ewl n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ewl n GLU 70 N 0.00 3.99 -1.20 -1.24 1.02 -1.26 -4.75 120.64 117.20 3ewl n GLU 70 Ca 0.00 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 3ewl n GLU 70 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 3ewl n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ewl n ASN 71 N -1.12 4.04 -0.03 1.62 4.13 -1.26 -4.76 115.26 117.88 3ewl n ASN 71 Ca 0.02 -2.62 0.07 0.00 1.68 0.00 0.00 54.58 53.73 3ewl n ASN 71 Cb 0.14 -1.28 0.46 0.00 -1.54 0.00 0.00 39.78 37.56 3ewl n ASN 71 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 3ewl h ARG 72 N 6.79 0.47 0.20 3.52 0.11 -1.99 -1.51 114.38 121.96 3ewl h ARG 72 Ca 0.52 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.56 3ewl h ARG 72 Cb 0.50 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3ewl h ARG 72 CO 1.81 0.31 -0.09 0.93 0.10 0.00 0.00 179.97 183.02 3ewl h GLU 73 N 0.49 -0.25 -0.48 0.08 5.08 -2.00 -0.91 114.58 116.58 3ewl h GLU 73 Ca 0.20 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3ewl h GLU 73 Cb 0.18 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3ewl h GLU 73 CO -0.05 0.07 0.30 1.49 -1.00 0.00 0.00 179.01 179.82 3ewl h GLU 74 N -0.60 0.58 -0.21 2.33 4.57 -1.95 -1.72 114.58 117.58 3ewl h GLU 74 Ca -0.03 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3ewl h GLU 74 Cb 0.44 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 3ewl h GLU 74 CO 0.04 0.39 -0.42 2.35 -1.18 0.00 0.00 179.01 180.19 3ewl h TRP 75 N 0.60 -1.20 -0.25 0.92 7.01 -1.28 -2.50 115.95 119.25 3ewl h TRP 75 Ca 0.18 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.26 3ewl h TRP 75 Cb -0.02 0.56 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 3ewl h TRP 75 CO -0.06 -0.46 0.09 0.00 -2.79 0.00 0.00 178.44 175.22 3ewl h ALA 76 N 0.22 0.29 -0.77 2.65 0.00 -0.98 0.40 119.26 121.07 3ewl h ALA 76 Ca 0.09 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.17 3ewl h ALA 76 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3ewl h ALA 76 CO -0.45 -0.32 0.34 1.15 0.00 0.00 0.00 179.25 179.98 3ewl h THR 77 N 0.21 0.70 0.00 0.00 2.02 -1.22 -2.55 112.91 112.07 3ewl h THR 77 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3ewl h THR 77 Cb 0.07 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3ewl h THR 77 CO -0.11 0.09 -0.72 0.29 0.37 0.00 0.00 175.52 175.44 3ewl n LYS 78 N -4.95 0.26 -0.04 6.66 4.76 -0.95 -4.06 118.16 119.84 3ewl n LYS 78 Ca 0.15 0.05 0.05 0.00 -2.87 0.00 0.00 58.31 55.68 3ewl n LYS 78 Cb 0.40 -1.64 0.41 0.00 -1.84 0.00 0.00 35.03 32.36 3ewl n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ewl h ALA 79 N 2.57 1.71 0.00 7.82 0.00 -0.48 -0.20 119.26 130.68 3ewl h ALA 79 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ewl h ALA 79 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ewl h ALA 79 CO 0.00 0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.78 3ewl h VAL 80 N 0.60 0.00 -2.52 0.00 2.07 -1.71 -3.46 116.25 111.24 3ewl h VAL 80 Ca 0.19 -0.17 -0.81 0.00 0.82 0.00 0.00 66.70 66.73 3ewl h VAL 80 Cb 0.01 0.98 -0.28 0.00 -1.52 0.00 0.00 31.29 30.49 3ewl h VAL 80 CO -0.04 0.00 0.92 -1.22 0.02 0.00 0.00 177.57 177.25 3ewl n TYR 81 N -2.69 2.55 -3.15 1.57 4.01 -0.09 -5.05 117.16 114.31 3ewl n TYR 81 Ca -0.01 -2.58 -0.39 0.00 -0.16 0.00 0.00 57.90 54.77 3ewl n TYR 81 Cb 0.15 -1.21 -0.05 0.00 -0.31 0.00 0.00 39.34 37.91 3ewl n TYR 81 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3ewl s PRO 83 N -3.70 4.36 0.22 -0.72 0.02 -1.26 -5.16 135.00 128.76 3ewl s PRO 83 Ca 0.36 0.80 -0.32 0.00 0.02 0.00 0.00 61.00 61.86 3ewl s PRO 83 Cb 0.13 -3.35 -0.13 0.00 0.02 0.00 0.00 34.50 31.17 3ewl s PRO 83 CO -0.03 0.33 1.54 1.04 -0.33 0.00 0.00 177.00 179.55 3ewl n GLN 84 N 2.81 2.30 0.00 5.54 1.13 -1.26 -2.16 117.38 125.73 3ewl n GLN 84 Ca -0.06 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 3ewl n GLN 84 Cb 0.51 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 28.30 3ewl n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ewl n GLY 85 N 2.77 3.19 3.76 1.08 0.00 -1.26 -5.03 105.19 109.71 3ewl n GLY 85 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3ewl n GLY 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ewl s TRP 86 N -2.58 3.60 -0.08 1.61 0.52 -0.92 -4.75 118.94 116.35 3ewl s TRP 86 Ca 0.00 1.73 -0.28 0.00 0.02 0.00 0.00 56.10 57.57 3ewl s TRP 86 Cb 0.00 -3.19 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3ewl s TRP 86 CO 0.00 -0.36 0.92 0.42 0.02 0.00 0.00 176.95 177.94 3ewl s ILE 87 N -1.26 4.87 -0.22 2.03 1.01 0.21 -4.96 121.20 122.88 3ewl s ILE 87 Ca 0.46 1.87 -0.01 0.00 0.00 0.00 0.00 60.65 62.98 3ewl s ILE 87 Cb -0.29 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 37.97 3ewl s ILE 87 CO 0.37 0.10 -0.11 -0.69 0.00 0.00 0.00 174.94 174.60 3ewl s VAL 88 N 1.53 2.59 0.10 2.92 1.01 -1.26 -0.78 120.40 126.51 3ewl s VAL 88 Ca 0.46 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3ewl s VAL 88 Cb -0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3ewl s VAL 88 CO 0.20 0.34 -0.10 -0.83 0.00 0.00 0.00 175.10 174.71 3ewl s GLY 89 N 1.32 0.88 -0.12 4.51 0.00 0.17 -4.34 107.32 109.73 3ewl s GLY 89 Ca 0.02 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.52 3ewl s GLY 89 CO -0.07 -1.32 -0.18 0.86 0.00 0.00 0.00 173.10 172.39 3ewl s TRP 90 N -2.63 2.70 -1.18 1.90 -0.00 0.18 -0.86 118.94 119.06 3ewl s TRP 90 Ca 0.07 -0.88 -0.19 0.00 -0.00 0.00 0.00 56.10 55.10 3ewl s TRP 90 Cb -0.02 -1.80 -0.03 0.00 -0.00 0.00 0.00 33.47 31.62 3ewl s TRP 90 CO -0.00 -0.34 1.98 -1.71 -0.00 0.00 0.00 176.95 176.88 3ewl n ASN 91 N 3.62 3.57 -0.31 5.86 4.05 -0.71 -1.61 115.26 129.73 3ewl n ASN 91 Ca -0.19 -2.79 0.07 0.00 0.45 0.00 0.00 54.58 52.13 3ewl n ASN 91 Cb 0.53 -1.53 0.28 0.00 1.23 0.00 0.00 39.78 40.29 3ewl n ASN 91 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 3ewl h LYS 92 N 7.54 0.89 -0.06 1.20 3.64 -1.88 -0.04 116.57 127.86 3ewl h LYS 92 Ca 0.44 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3ewl h LYS 92 Cb 0.75 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3ewl h LYS 92 CO 1.70 0.59 0.07 0.00 -2.27 0.00 0.00 179.45 179.54 3ewl h ALA 93 N 1.55 1.67 0.00 5.00 0.00 -1.85 -3.46 119.26 122.17 3ewl h ALA 93 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ewl h ALA 93 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ewl h ALA 93 CO -0.20 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3ewl n GLY 94 N -1.37 0.51 0.22 0.00 0.00 -0.03 -4.92 105.19 99.61 3ewl n GLY 94 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3ewl n GLY 94 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ewl h ASP 95 N 0.00 0.00 -0.54 1.61 -0.00 -1.89 -1.88 116.42 113.71 3ewl h ASP 95 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.05 3ewl h ASP 95 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.46 3ewl h ASP 95 CO 0.00 0.12 0.34 0.40 -0.00 0.00 0.00 179.24 180.10 3ewl h ILE 96 N 0.00 1.09 0.03 4.15 2.04 -1.91 0.18 117.51 123.10 3ewl h ILE 96 Ca -0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ewl h ILE 96 Cb 0.88 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3ewl h ILE 96 CO 0.02 0.13 -0.02 0.03 0.00 0.00 0.00 178.15 178.30 3ewl h ARG 97 N 0.69 -0.04 0.00 2.37 2.47 -1.80 0.61 114.38 118.67 3ewl h ARG 97 Ca 0.21 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.89 3ewl h ARG 97 Cb -0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3ewl h ARG 97 CO -0.07 0.63 -0.22 1.79 0.56 0.00 0.00 179.97 182.65 3ewl h THR 98 N -0.91 1.00 -0.17 2.04 1.35 -1.32 -1.03 112.91 113.86 3ewl h THR 98 Ca -0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3ewl h THR 98 Cb 0.69 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3ewl h THR 98 CO 0.01 0.21 0.00 0.54 -0.25 0.00 0.00 175.52 176.03 3ewl n ARG 99 N -4.05 1.93 -3.63 4.72 1.74 0.05 -4.99 116.66 112.43 3ewl n ARG 99 Ca -0.02 -1.84 -0.21 0.00 -0.77 0.00 0.00 57.85 55.01 3ewl n ARG 99 Cb 0.29 -1.39 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 3ewl n ARG 99 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3ewl n GLN 100 N 1.11 -5.56 -0.05 5.56 -0.06 -0.39 -4.88 117.38 113.12 3ewl n GLN 100 Ca 0.13 0.69 -0.03 0.00 -2.00 0.00 0.00 57.00 55.80 3ewl n GLN 100 Cb 0.49 -5.42 0.21 0.00 -4.06 0.00 0.00 30.24 21.47 3ewl n GLN 100 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3ewl h LEU 101 N -1.92 0.61 -8.54 1.69 3.38 -1.10 -3.42 115.31 106.01 3ewl h LEU 101 Ca -0.60 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 56.69 3ewl h LEU 101 Cb 1.35 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.71 3ewl h LEU 101 CO 0.55 0.72 -0.82 -0.31 0.09 0.00 0.00 178.44 178.67 3ewl s TYR 102 N -4.87 1.63 -1.01 1.13 2.02 -1.26 -2.14 117.35 112.85 3ewl s TYR 102 Ca -0.08 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.01 3ewl s TYR 102 Cb 0.15 -0.94 0.09 0.00 -0.40 0.00 0.00 41.96 40.86 3ewl s TYR 102 CO 0.79 0.12 1.34 0.34 -1.57 0.00 0.00 175.55 176.57 3ewl s ASP 103 N -1.51 6.59 -1.09 2.29 2.15 -1.26 -4.92 116.67 118.93 3ewl s ASP 103 Ca 0.05 -1.79 -0.14 0.00 0.43 0.00 0.00 52.55 51.10 3ewl s ASP 103 Cb -0.09 -2.50 0.19 0.00 -0.30 0.00 0.00 42.92 40.22 3ewl s ASP 103 CO 0.03 -1.29 1.22 -0.63 -0.17 0.00 0.00 175.17 174.32 3ewl s ILE 104 N 3.93 5.27 0.46 4.11 1.01 -1.26 -4.81 121.20 129.91 3ewl s ILE 104 Ca 0.41 -2.59 0.31 0.00 0.00 0.00 0.00 60.65 58.79 3ewl s ILE 104 Cb -0.02 -4.76 0.34 0.00 0.01 0.00 0.00 42.46 38.03 3ewl s ILE 104 CO -0.09 -1.43 2.15 0.03 0.00 0.00 0.00 174.94 175.60 3ewl h ARG 105 N 7.45 0.00 -1.97 2.79 3.08 -1.95 -3.46 114.38 120.32 3ewl h ARG 105 Ca 0.23 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.48 3ewl h ARG 105 Cb 0.92 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.84 3ewl h ARG 105 CO 1.11 0.07 0.62 0.00 -1.07 0.00 0.00 179.97 180.69 3ewl s ALA 106 N -4.22 -1.90 -0.12 0.04 0.00 -1.26 -5.14 121.76 109.16 3ewl s ALA 106 Ca -0.03 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.72 3ewl s ALA 106 Cb 0.13 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3ewl s ALA 106 CO 0.55 -0.86 -0.17 0.95 0.00 0.00 0.00 175.76 176.22 3ewl s THR 107 N -2.90 2.65 0.43 0.00 -4.23 -1.26 -3.32 115.64 107.02 3ewl s THR 107 Ca 0.10 -0.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 3ewl s THR 107 Cb 0.00 -2.08 -0.10 0.00 1.34 0.00 0.00 72.50 71.67 3ewl s THR 107 CO -0.04 0.54 0.92 -2.16 -0.54 0.00 0.00 174.62 173.34 3ewl s PRO 108 N 0.34 4.10 -0.06 3.99 0.04 -1.26 -4.52 135.00 137.64 3ewl s PRO 108 Ca -0.14 0.97 0.05 0.00 0.04 0.00 0.00 61.00 61.92 3ewl s PRO 108 Cb -0.17 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 3ewl s PRO 108 CO 0.07 -0.06 -0.21 0.99 0.04 0.00 0.00 177.00 177.83 3ewl s THR 109 N -2.27 1.72 -0.03 1.26 2.01 -0.67 -4.97 115.64 112.68 3ewl s THR 109 Ca 0.59 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.79 3ewl s THR 109 Cb -0.09 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 3ewl s THR 109 CO 0.19 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.75 3ewl s ILE 110 N 0.03 1.80 -0.01 1.82 1.01 -1.26 -0.97 121.20 123.63 3ewl s ILE 110 Ca -0.06 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.69 3ewl s ILE 110 Cb -0.13 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3ewl s ILE 110 CO 0.04 0.51 -0.19 -0.31 0.00 0.00 0.00 174.94 174.99 3ewl s TYR 111 N -0.35 1.67 -0.19 3.97 2.02 -0.84 -0.55 117.35 123.08 3ewl s TYR 111 Ca 0.04 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.34 3ewl s TYR 111 Cb -0.10 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 3ewl s TYR 111 CO 0.01 -0.01 0.08 -1.17 -1.57 0.00 0.00 175.55 172.88 3ewl s LEU 112 N -0.54 3.87 0.14 -1.29 2.96 0.35 -0.69 118.68 123.49 3ewl s LEU 112 Ca 0.07 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3ewl s LEU 112 Cb -0.07 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3ewl s LEU 112 CO -0.00 0.16 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.29 3ewl s LEU 113 N 0.43 2.85 0.00 -0.68 1.43 0.10 -0.47 118.68 122.35 3ewl s LEU 113 Ca 0.04 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3ewl s LEU 113 Cb -0.12 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3ewl s LEU 113 CO 0.00 0.15 0.00 -0.90 0.23 0.00 0.00 176.35 175.83 3ewl n ASP 114 N 0.46 0.00 0.19 2.29 5.68 -0.41 -1.54 116.55 123.22 3ewl n ASP 114 Ca -0.13 -0.17 0.03 0.00 -0.50 0.00 0.00 54.79 54.02 3ewl n ASP 114 Cb 0.54 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.88 3ewl n ASP 114 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3ewl h GLY 115 N 0.00 0.00 -1.60 6.12 0.00 -1.65 -2.11 103.07 103.83 3ewl h GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ewl h GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3ewl n ARG 116 N -4.06 2.03 -1.87 4.80 1.74 -1.26 -4.85 116.66 113.20 3ewl n ARG 116 Ca -0.02 -1.60 -0.13 0.00 -0.77 0.00 0.00 57.85 55.33 3ewl n ARG 116 Cb 0.41 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3ewl n ARG 116 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ewl n LYS 117 N 0.80 -1.01 -2.73 5.56 4.76 -0.79 -4.90 118.16 119.85 3ewl n LYS 117 Ca 0.15 0.79 -0.40 0.00 -2.87 0.00 0.00 58.31 55.99 3ewl n LYS 117 Cb 0.39 -4.96 -0.06 0.00 -1.84 0.00 0.00 35.03 28.56 3ewl n LYS 117 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3ewl s ARG 118 N -3.98 4.83 -0.38 1.97 3.52 -1.26 -0.99 118.95 122.67 3ewl s ARG 118 Ca 0.00 1.51 -0.29 0.00 -0.13 0.00 0.00 55.73 56.83 3ewl s ARG 118 Cb 0.00 -3.25 -0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3ewl s ARG 118 CO 0.00 0.48 1.54 0.08 -0.81 0.00 0.00 175.30 176.59 3ewl s VAL 119 N -1.19 3.76 -0.17 7.11 1.01 -1.26 -1.29 120.40 128.37 3ewl s VAL 119 Ca 0.42 0.78 0.17 0.00 0.00 0.00 0.00 61.98 63.35 3ewl s VAL 119 Cb -0.26 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 3ewl s VAL 119 CO 0.33 -0.63 0.10 2.30 0.00 0.00 0.00 175.10 177.19 3ewl n ILE 120 N 7.16 1.16 -4.40 2.22 -5.35 0.38 -0.48 119.36 120.06 3ewl n ILE 120 Ca 0.19 -0.76 -0.24 0.00 -0.27 0.00 0.00 62.75 61.66 3ewl n ILE 120 Cb 0.47 -0.45 -0.17 0.00 -1.74 0.00 0.00 39.64 37.75 3ewl n ILE 120 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3ewl s LEU 121 N -5.28 1.51 -0.19 7.28 1.43 -0.85 -4.88 118.68 117.69 3ewl s LEU 121 Ca -0.09 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3ewl s LEU 121 Cb 0.06 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 3ewl s LEU 121 CO 0.77 -0.01 0.05 -0.75 0.23 0.00 0.00 176.35 176.64 3ewl s LYS 122 N 0.88 3.85 -1.25 1.70 2.20 -1.26 -0.49 119.74 125.37 3ewl s LYS 122 Ca -0.11 -0.41 -0.23 0.00 -0.36 0.00 0.00 55.97 54.87 3ewl s LYS 122 Cb -0.15 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3ewl s LYS 122 CO 0.01 0.16 0.62 -3.47 -0.36 0.00 0.00 175.35 172.31 3ewl n ASP 123 N 3.86 -3.54 -3.88 1.43 2.03 -0.45 -4.90 116.55 111.09 3ewl n ASP 123 Ca -0.17 -1.17 -0.13 0.00 0.52 0.00 0.00 54.79 53.85 3ewl n ASP 123 Cb 0.52 -2.41 0.04 0.00 -0.72 0.00 0.00 41.12 38.55 3ewl n ASP 123 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3ewl n THR 124 N -4.64 0.00 0.00 5.18 5.66 0.29 -4.86 114.28 115.91 3ewl n THR 124 Ca -0.15 -1.26 0.00 0.00 -3.05 0.00 0.00 64.05 59.59 3ewl n THR 124 Cb 0.60 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 3ewl n THR 124 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3ewl n SER 125 N -2.48 0.00 0.00 1.09 7.64 -1.26 -4.47 113.62 114.14 3ewl n SER 125 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3ewl n SER 125 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3ewl n SER 125 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ewl n GLU 127 N 0.00 0.00 -0.10 1.43 4.71 -1.26 -1.07 120.64 124.35 3ewl n GLU 127 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 3ewl n GLU 127 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 30.53 3ewl n GLU 127 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3ewl h GLN 128 N 0.00 0.80 0.21 3.49 4.20 -1.98 -1.20 115.11 120.63 3ewl h GLN 128 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3ewl h GLN 128 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3ewl h GLN 128 CO 0.00 0.90 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.89 3ewl h LEU 129 N 0.72 -0.24 0.12 1.46 3.38 -1.51 -0.42 115.31 118.82 3ewl h LEU 129 Ca 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ewl h LEU 129 Cb 0.64 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3ewl h LEU 129 CO 0.04 -0.07 -0.22 0.40 0.09 0.00 0.00 178.44 178.69 3ewl h ILE 130 N -0.39 0.51 -0.45 1.22 2.04 -1.81 0.43 117.51 119.06 3ewl h ILE 130 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3ewl h ILE 130 Cb 0.30 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3ewl h ILE 130 CO 0.05 0.00 0.18 -0.78 0.00 0.00 0.00 178.15 177.59 3ewl h ASP 131 N -0.41 0.21 -0.33 1.72 1.82 -1.23 0.16 116.42 118.36 3ewl h ASP 131 Ca 0.02 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.59 3ewl h ASP 131 Cb 0.43 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 3ewl h ASP 131 CO -0.12 0.15 -0.26 0.22 -1.61 0.00 0.00 179.24 177.63 3ewl h TYR 132 N 0.36 0.89 0.00 0.28 3.20 -0.39 -2.59 116.97 118.72 3ewl h TYR 132 Ca 0.21 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3ewl h TYR 132 Cb 0.18 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3ewl h TYR 132 CO -0.14 1.00 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.73 3ewl h LEU 133 N 0.52 0.00 0.02 2.82 3.38 0.28 -3.33 115.31 119.00 3ewl h LEU 133 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 3ewl h LEU 133 Cb 0.82 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3ewl h LEU 133 CO 0.07 0.01 -1.78 0.00 0.09 0.00 0.00 178.44 176.83 3ewl n ALA 134 N -2.15 1.39 0.28 1.53 0.00 0.51 -5.07 120.51 117.00 3ewl n ALA 134 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 53.44 52.72 3ewl n ALA 134 Cb 0.55 -0.80 0.13 0.00 0.00 0.00 0.00 19.45 19.33 3ewl n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75