#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5c s GLN 3 N 0.00 0.25 -0.25 5.31 -0.21 -1.26 -4.83 119.66 118.67 3d5c s GLN 3 Ca 0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.21 3d5c s GLN 3 Cb 0.00 -1.78 0.07 0.00 1.00 0.00 0.00 33.01 32.31 3d5c s GLN 3 CO 0.00 -2.71 0.02 0.71 -2.12 0.00 0.00 175.29 171.18 3d5c s TYR 4 N -3.52 2.04 -0.03 0.91 1.51 -0.20 -4.91 117.35 113.15 3d5c s TYR 4 Ca 0.71 -1.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 3d5c s TYR 4 Cb -0.08 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 3d5c s TYR 4 CO 0.54 -0.78 0.01 -0.47 -1.11 0.00 0.00 175.55 173.74 3d5c s TYR 5 N 1.51 3.13 0.23 2.71 6.14 -1.25 -1.40 117.35 128.42 3d5c s TYR 5 Ca 0.01 0.13 -0.03 0.00 0.64 0.00 0.00 57.07 57.82 3d5c s TYR 5 Cb -0.18 -1.72 -0.03 0.00 0.42 0.00 0.00 41.96 40.45 3d5c s TYR 5 CO -0.12 0.47 0.24 0.20 0.64 0.00 0.00 175.55 176.99 3d5c s GLY 6 N -1.35 1.29 -0.14 8.97 0.00 -1.11 -3.67 107.32 111.30 3d5c s GLY 6 Ca 0.18 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3d5c s GLY 6 CO 0.08 -1.20 -0.11 -1.59 0.00 0.00 0.00 173.10 170.27 3d5c s THR 7 N -4.02 1.37 -0.11 0.90 2.01 -1.25 -2.79 115.64 111.74 3d5c s THR 7 Ca 0.35 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.86 3d5c s THR 7 Cb 0.04 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 3d5c s THR 7 CO 0.13 0.41 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.42 3d5c s GLY 8 N 1.57 1.38 -0.03 4.40 0.00 -0.80 -4.22 107.32 109.61 3d5c s GLY 8 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 3d5c s GLY 8 CO -0.10 -0.26 0.14 -1.60 0.00 0.00 0.00 173.10 171.28 3d5c s ARG 9 N 0.41 0.30 -0.30 2.90 3.52 -1.26 -0.54 118.95 123.98 3d5c s ARG 9 Ca -0.16 -0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.22 3d5c s ARG 9 Cb -0.17 0.13 0.20 0.00 -1.56 0.00 0.00 34.95 33.54 3d5c s ARG 9 CO 0.07 -0.06 1.23 0.50 -0.81 0.00 0.00 175.30 176.23 3d5c s ARG 10 N -0.54 0.09 -1.25 5.12 3.00 -1.21 -4.78 118.95 119.38 3d5c s ARG 10 Ca -0.06 0.18 -0.02 0.00 -1.00 0.00 0.00 55.73 54.82 3d5c s ARG 10 Cb -0.04 0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.98 3d5c s ARG 10 CO 0.01 -0.02 1.02 1.63 0.00 0.00 0.00 175.30 177.93 3d5c n LYS 11 N 3.88 -6.77 -2.10 5.12 5.02 -1.26 -1.68 118.16 120.37 3d5c n LYS 11 Ca -0.12 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 56.88 3d5c n LYS 11 Cb 0.56 -5.81 -0.02 0.00 -0.02 0.00 0.00 35.03 29.74 3d5c n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d5c n GLU 12 N -4.35 -1.98 -3.48 1.97 1.02 -1.26 -4.21 120.64 108.35 3d5c n GLU 12 Ca -0.22 0.57 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 3d5c n GLU 12 Cb 0.64 -5.05 -0.04 0.00 -0.02 0.00 0.00 31.44 26.98 3d5c n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d5c s ALA 13 N -2.37 4.18 0.78 0.62 0.00 -0.67 -3.45 121.76 120.85 3d5c s ALA 13 Ca 0.00 -3.56 -0.12 0.00 0.00 0.00 0.00 51.96 48.28 3d5c s ALA 13 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.98 3d5c s ALA 13 CO 0.00 -2.20 1.13 0.08 0.00 0.00 0.00 175.76 174.77 3d5c s VAL 14 N -0.57 2.81 -0.30 0.00 1.01 0.53 -3.36 120.40 120.53 3d5c s VAL 14 Ca 0.23 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3d5c s VAL 14 Cb -0.12 -2.69 0.19 0.00 0.00 0.00 0.00 36.38 33.77 3d5c s VAL 14 CO -0.08 -0.31 0.64 0.00 0.00 0.00 0.00 175.10 175.35 3d5c s ALA 15 N -2.59 -2.38 0.47 5.51 0.00 0.30 0.15 121.76 123.22 3d5c s ALA 15 Ca 0.66 1.75 -0.20 0.00 0.00 0.00 0.00 51.96 54.16 3d5c s ALA 15 Cb -0.21 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 3d5c s ALA 15 CO 0.52 -1.39 1.00 1.03 0.00 0.00 0.00 175.76 176.92 3d5c s ARG 16 N 2.87 3.98 -0.32 0.00 0.52 -0.51 -1.90 118.95 123.58 3d5c s ARG 16 Ca 0.18 1.21 -0.01 0.00 -0.52 0.00 0.00 55.73 56.59 3d5c s ARG 16 Cb -0.14 -2.13 0.11 0.00 0.52 0.00 0.00 34.95 33.30 3d5c s ARG 16 CO -0.21 -0.26 0.13 0.08 0.02 0.00 0.00 175.30 175.06 3d5c s VAL 17 N -2.15 0.67 -0.58 3.52 1.01 -1.12 -1.65 120.40 120.09 3d5c s VAL 17 Ca 0.64 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3d5c s VAL 17 Cb -0.12 -1.51 0.14 0.00 0.00 0.00 0.00 36.38 34.89 3d5c s VAL 17 CO 0.19 -0.73 0.53 -0.36 0.00 0.00 0.00 175.10 174.72 3d5c s PHE 18 N 1.57 3.36 -0.15 5.22 0.40 0.23 -2.76 117.98 125.85 3d5c s PHE 18 Ca 0.11 -1.49 -0.13 0.00 -0.60 0.00 0.00 56.93 54.82 3d5c s PHE 18 Cb -0.18 -3.76 -0.05 0.00 0.51 0.00 0.00 43.02 39.54 3d5c s PHE 18 CO -0.24 -1.01 0.27 -1.17 0.70 0.00 0.00 175.22 173.77 3d5c s LEU 19 N 1.31 4.28 -0.20 -0.37 0.20 -0.49 -0.32 118.68 123.08 3d5c s LEU 19 Ca 0.06 0.51 -0.02 0.00 0.69 0.00 0.00 54.13 55.37 3d5c s LEU 19 Cb -0.26 -2.33 0.06 0.00 -0.43 0.00 0.00 46.19 43.23 3d5c s LEU 19 CO 0.00 0.16 0.03 -0.13 -0.29 0.00 0.00 176.35 176.12 3d5c s ARG 20 N 0.16 0.76 0.05 1.98 0.52 -0.61 -1.03 118.95 120.78 3d5c s ARG 20 Ca 0.16 -0.50 -0.38 0.00 -0.52 0.00 0.00 55.73 54.50 3d5c s ARG 20 Cb -0.13 -2.17 -0.17 0.00 0.52 0.00 0.00 34.95 33.00 3d5c s ARG 20 CO 0.04 -0.64 1.29 -2.30 0.02 0.00 0.00 175.30 173.71 3d5c n PRO 21 N 5.00 0.87 0.00 3.54 -0.02 -1.26 -1.60 135.00 141.53 3d5c n PRO 21 Ca -0.09 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3d5c n PRO 21 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3d5c n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5c n GLY 22 N 2.34 0.42 0.00 -1.23 0.00 -0.45 -4.70 105.19 101.57 3d5c n GLY 22 Ca 0.19 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3d5c n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d5c n ASN 23 N 0.00 0.00 -0.02 1.61 5.03 -1.26 -3.54 115.26 117.08 3d5c n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3d5c n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3d5c n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d5c n GLY 24 N 4.85 -1.87 3.57 7.41 0.00 -1.25 -0.22 105.19 117.68 3d5c n GLY 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3d5c n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5c s LYS 25 N 0.00 2.81 -0.44 1.61 2.20 -1.26 -4.87 119.74 119.80 3d5c s LYS 25 Ca 0.00 0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 56.49 3d5c s LYS 25 Cb 0.00 -4.34 0.10 0.00 -1.51 0.00 0.00 37.83 32.08 3d5c s LYS 25 CO 0.00 -2.49 0.28 0.08 -0.36 0.00 0.00 175.35 172.86 3d5c s VAL 26 N 8.64 4.06 -0.18 4.02 1.01 -1.26 -2.46 120.40 134.24 3d5c s VAL 26 Ca 0.74 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3d5c s VAL 26 Cb -0.16 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3d5c s VAL 26 CO 0.26 -0.63 0.02 -0.89 0.00 0.00 0.00 175.10 173.86 3d5c s THR 27 N 1.36 4.35 -0.08 3.92 2.01 0.31 -1.31 115.64 126.20 3d5c s THR 27 Ca 0.05 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 3d5c s THR 27 Cb -0.24 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.35 3d5c s THR 27 CO 0.00 0.46 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 3d5c s VAL 28 N 0.50 0.51 -1.56 3.82 1.01 -1.26 -1.36 120.40 122.05 3d5c s VAL 28 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 3d5c s VAL 28 Cb -0.13 -0.63 0.11 0.00 0.00 0.00 0.00 36.38 35.72 3d5c s VAL 28 CO 0.02 0.28 0.88 0.59 0.00 0.00 0.00 175.10 176.87 3d5c n ASN 29 N 5.05 -4.34 -0.02 3.32 4.13 0.31 -4.50 115.26 119.21 3d5c n ASN 29 Ca -0.09 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.37 3d5c n ASN 29 Cb 0.50 -3.49 -0.00 0.00 -1.54 0.00 0.00 39.78 35.25 3d5c n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d5c n GLY 30 N -1.55 -2.19 7.00 7.41 0.00 -1.26 -5.01 105.19 109.59 3d5c n GLY 30 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3d5c n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d5c n GLN 31 N -0.59 0.00 -4.31 1.61 1.13 -1.26 -4.83 117.38 109.13 3d5c n GLN 31 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 3d5c n GLN 31 Cb 0.01 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 3d5c n GLN 31 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3d5c s ASP 32 N -4.00 2.29 0.04 1.08 -1.08 -1.26 -4.23 116.67 109.51 3d5c s ASP 32 Ca 0.00 -1.01 -0.30 0.00 -0.52 0.00 0.00 52.55 50.73 3d5c s ASP 32 Cb 0.00 -0.09 -0.17 0.00 -1.46 0.00 0.00 42.92 41.19 3d5c s ASP 32 CO 0.00 -0.22 1.38 0.15 0.52 0.00 0.00 175.17 177.00 3d5c h PHE 33 N 2.69 -0.80 0.00 -5.34 3.57 -1.52 0.27 116.94 115.81 3d5c h PHE 33 Ca -0.38 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3d5c h PHE 33 Cb 1.21 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.22 3d5c h PHE 33 CO 0.69 -0.46 0.00 0.09 -2.23 0.00 0.00 178.31 176.40 3d5c n ASN 34 N -5.41 0.00 -0.11 0.41 4.13 -1.26 -2.04 115.26 110.98 3d5c n ASN 34 Ca -0.13 0.43 -0.25 0.00 1.68 0.00 0.00 54.58 56.31 3d5c n ASN 34 Cb 0.37 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 38.04 3d5c n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3d5c n GLU 35 N -1.45 0.60 -0.13 3.52 4.07 -0.99 -4.49 120.64 121.77 3d5c n GLU 35 Ca 0.02 0.37 -0.09 0.00 -0.06 0.00 0.00 57.16 57.40 3d5c n GLU 35 Cb 0.07 -1.61 0.05 0.00 -0.06 0.00 0.00 31.44 29.89 3d5c n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 3d5c h TYR 36 N -0.84 1.02 -3.12 4.31 3.20 -0.28 -3.38 116.97 117.88 3d5c h TYR 36 Ca -0.54 -0.24 -0.73 0.00 3.14 0.00 0.00 58.73 60.36 3d5c h TYR 36 Cb 1.55 -0.24 -0.22 0.00 1.54 0.00 0.00 36.73 39.36 3d5c h TYR 36 CO 0.00 1.02 0.21 -0.06 -1.64 0.00 0.00 178.16 177.69 3d5c s PHE 37 N -4.66 3.29 -0.27 -3.82 0.40 -0.86 -5.02 117.98 107.04 3d5c s PHE 37 Ca -0.10 -1.41 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 3d5c s PHE 37 Cb 0.13 -3.98 -0.01 0.00 0.51 0.00 0.00 43.02 39.67 3d5c s PHE 37 CO 0.85 -1.20 0.06 -1.14 0.70 0.00 0.00 175.22 174.49 3d5c s GLN 38 N 1.76 3.35 -0.46 0.44 0.74 -1.26 -4.49 119.66 119.73 3d5c s GLN 38 Ca 0.16 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 3d5c s GLN 38 Cb -0.17 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3d5c s GLN 38 CO -0.02 -0.31 0.14 0.41 -0.55 0.00 0.00 175.29 174.96 3d5c n GLY 39 N 4.88 0.30 3.09 2.59 0.00 -1.26 -5.04 105.19 109.74 3d5c n GLY 39 Ca -0.16 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 3d5c n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5c s LEU 40 N -2.16 1.85 0.26 0.99 1.43 -1.26 -5.01 118.68 114.78 3d5c s LEU 40 Ca 0.07 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 52.78 3d5c s LEU 40 Cb -0.03 -1.24 0.29 0.00 0.03 0.00 0.00 46.19 45.24 3d5c s LEU 40 CO 0.09 0.02 1.56 0.58 0.23 0.00 0.00 176.35 178.83 3d5c h VAL 41 N 5.94 1.38 0.00 -1.59 2.07 -1.97 -2.86 116.25 119.22 3d5c h VAL 41 Ca -0.34 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 64.90 3d5c h VAL 41 Cb 1.17 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3d5c h VAL 41 CO 0.53 0.63 -0.03 0.03 0.02 0.00 0.00 177.57 178.75 3d5c h ARG 42 N 0.00 0.00 0.00 1.57 3.08 -2.00 -3.30 114.38 113.73 3d5c h ARG 42 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d5c h ARG 42 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3d5c h ARG 42 CO 0.08 0.03 -0.10 0.00 -1.07 0.00 0.00 179.97 178.91 3d5c h ALA 43 N 1.97 -0.59 -0.23 0.04 0.00 -1.90 -1.42 119.26 117.14 3d5c h ALA 43 Ca -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3d5c h ALA 43 Cb 0.38 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3d5c h ALA 43 CO 0.00 -0.62 0.25 -0.39 0.00 0.00 0.00 179.25 178.50 3d5c h VAL 44 N -0.13 0.47 -0.35 0.00 -1.51 -1.77 -0.85 116.25 112.12 3d5c h VAL 44 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 3d5c h VAL 44 Cb 0.14 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 3d5c h VAL 44 CO -0.07 0.00 -0.23 0.00 -1.23 0.00 0.00 177.57 176.05 3d5c h ALA 45 N 1.72 0.95 -0.09 5.19 0.00 -1.39 -2.51 119.26 123.13 3d5c h ALA 45 Ca 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3d5c h ALA 45 Cb 0.61 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d5c h ALA 45 CO -0.00 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.97 3d5c h ALA 46 N 1.15 1.61 -0.48 0.00 0.00 -0.34 0.17 119.26 121.37 3d5c h ALA 46 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d5c h ALA 46 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3d5c h ALA 46 CO 0.05 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.42 3d5c n LEU 47 N -3.72 4.76 -0.27 0.00 4.32 -0.95 -4.36 117.00 116.79 3d5c n LEU 47 Ca -0.01 -2.41 -0.01 0.00 -0.02 0.00 0.00 56.01 53.56 3d5c n LEU 47 Cb 0.21 -0.63 0.19 0.00 -1.62 0.00 0.00 43.42 41.57 3d5c n LEU 47 CO 0.26 0.58 1.24 -0.08 -1.22 0.00 0.00 177.39 178.17 3d5c h GLU 48 N 3.30 1.10 -0.26 3.23 4.57 -0.72 -2.40 114.58 123.39 3d5c h GLU 48 Ca 0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3d5c h GLU 48 Cb 1.65 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 3d5c h GLU 48 CO 0.37 0.74 0.18 -1.00 -1.18 0.00 0.00 179.01 178.12 3d5c h PRO 49 N 1.13 0.30 0.00 0.92 0.13 -1.81 -0.56 132.00 132.10 3d5c h PRO 49 Ca 0.30 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.41 3d5c h PRO 49 Cb -0.10 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 30.96 3d5c h PRO 49 CO -0.06 0.20 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.81 3d5c h LEU 50 N 0.30 0.00 0.00 1.56 3.38 -1.76 -2.69 115.31 116.11 3d5c h LEU 50 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 3d5c h LEU 50 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3d5c h LEU 50 CO -0.02 0.02 -1.67 0.54 0.09 0.00 0.00 178.44 177.40 3d5c n ARG 51 N -3.12 0.63 0.18 1.13 1.74 -0.40 -1.65 116.66 115.18 3d5c n ARG 51 Ca 0.02 0.22 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 3d5c n ARG 51 Cb 0.39 -1.76 0.33 0.00 -1.02 0.00 0.00 32.46 30.40 3d5c n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5c h ALA 52 N 1.20 1.08 -0.01 7.54 0.00 -1.02 -2.00 119.26 126.05 3d5c h ALA 52 Ca -0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3d5c h ALA 52 Cb 1.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3d5c h ALA 52 CO 0.06 0.51 -0.20 1.33 0.00 0.00 0.00 179.25 180.95 3d5c n VAL 53 N -3.70 0.00 -1.10 0.00 0.24 -1.03 -4.93 118.33 107.82 3d5c n VAL 53 Ca -0.01 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.34 62.10 3d5c n VAL 53 Cb 0.49 0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 33.26 3d5c n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3d5c n ASP 54 N -0.48 -4.66 -3.40 -1.34 8.00 -0.75 -4.92 116.55 109.01 3d5c n ASP 54 Ca 0.14 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 3d5c n ASP 54 Cb 0.35 -2.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.96 3d5c n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d5c n ALA 55 N 1.06 4.88 -0.47 2.24 0.00 -0.66 -4.91 120.51 122.66 3d5c n ALA 55 Ca -0.03 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.68 3d5c n ALA 55 Cb 0.32 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3d5c n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3d5c n LEU 56 N 0.36 0.00 -4.39 0.00 0.00 -1.13 -4.21 117.00 107.62 3d5c n LEU 56 Ca 0.33 0.77 -0.45 0.00 0.00 0.00 0.00 56.01 56.65 3d5c n LEU 56 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 43.42 43.49 3d5c n LEU 56 CO 0.46 -0.27 0.78 -0.83 0.00 0.00 0.00 177.39 177.53 3d5c s GLY 57 N -0.53 2.39 0.00 -3.96 0.00 -1.26 -4.34 107.32 99.61 3d5c s GLY 57 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 44.72 41.57 3d5c s GLY 57 CO 0.00 1.65 0.00 -2.13 0.00 0.00 0.00 173.10 172.62 3d5c n ARG 58 N 5.08 0.00 -4.05 2.90 0.63 0.70 -4.85 116.66 117.07 3d5c n ARG 58 Ca 0.21 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.99 3d5c n ARG 58 Cb 0.47 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.23 3d5c n ARG 58 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3d5c s PHE 59 N 0.00 0.32 -0.51 -0.14 0.40 0.07 -1.34 117.98 116.79 3d5c s PHE 59 Ca 0.00 -0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.14 3d5c s PHE 59 Cb 0.00 -0.24 0.12 0.00 0.51 0.00 0.00 43.02 43.41 3d5c s PHE 59 CO 0.00 -0.03 0.43 -0.51 0.70 0.00 0.00 175.22 175.81 3d5c s ASP 60 N 0.10 6.01 0.15 1.36 1.01 -0.63 -3.80 116.67 120.86 3d5c s ASP 60 Ca -0.01 -1.77 -0.20 0.00 0.71 0.00 0.00 52.55 51.29 3d5c s ASP 60 Cb -0.03 -2.14 -0.07 0.00 1.01 0.00 0.00 42.92 41.69 3d5c s ASP 60 CO -0.00 -0.77 0.65 0.00 0.21 0.00 0.00 175.17 175.25 3d5c s ALA 61 N 1.52 3.51 -0.22 5.23 0.00 -1.03 -1.57 121.76 129.20 3d5c s ALA 61 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 3d5c s ALA 61 Cb -0.28 -2.73 0.07 0.00 0.00 0.00 0.00 23.12 20.18 3d5c s ALA 61 CO 0.02 0.37 0.05 -0.47 0.00 0.00 0.00 175.76 175.73 3d5c s TYR 62 N -1.30 1.12 -0.02 0.00 5.04 0.56 -0.53 117.35 122.22 3d5c s TYR 62 Ca 0.36 -1.02 0.08 0.00 -2.44 0.00 0.00 57.07 54.04 3d5c s TYR 62 Cb -0.19 -1.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.96 3d5c s TYR 62 CO 0.21 -0.67 -0.26 0.42 -1.34 0.00 0.00 175.55 173.91 3d5c s ILE 63 N 1.83 2.04 -0.66 3.14 1.09 -0.46 0.76 121.20 128.93 3d5c s ILE 63 Ca 0.01 -1.10 0.01 0.00 -1.10 0.00 0.00 60.65 58.47 3d5c s ILE 63 Cb -0.17 -1.69 0.17 0.00 -1.06 0.00 0.00 42.46 39.70 3d5c s ILE 63 CO -0.13 0.58 0.47 -0.89 -0.10 0.00 0.00 174.94 174.87 3d5c s THR 64 N -0.59 3.38 -0.30 2.92 2.01 -0.66 -0.53 115.64 121.87 3d5c s THR 64 Ca 0.09 -3.49 -0.13 0.00 0.31 0.00 0.00 61.69 58.47 3d5c s THR 64 Cb -0.10 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3d5c s THR 64 CO -0.01 -0.92 0.29 0.54 -0.69 0.00 0.00 174.62 173.83 3d5c s VAL 65 N -0.64 5.23 0.27 3.82 0.11 -1.26 -1.42 120.40 126.50 3d5c s VAL 65 Ca 0.20 0.20 0.12 0.00 -2.93 0.00 0.00 61.98 59.57 3d5c s VAL 65 Cb -0.16 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 3d5c s VAL 65 CO -0.07 0.10 -0.20 -0.60 -3.33 0.00 0.00 175.10 171.01 3d5c s ARG 66 N 1.91 1.68 0.22 1.54 6.06 0.12 -4.93 118.95 125.55 3d5c s ARG 66 Ca 0.10 -1.72 0.00 0.00 -2.50 0.00 0.00 55.73 51.61 3d5c s ARG 66 Cb -0.16 -1.80 0.00 0.00 0.06 0.00 0.00 34.95 33.05 3d5c s ARG 66 CO 0.11 0.34 0.00 0.41 -2.50 0.00 0.00 175.30 173.66 3d5c n GLY 67 N -0.49 -2.13 4.01 8.12 0.00 -1.26 -0.35 105.19 113.09 3d5c n GLY 67 Ca -0.06 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.69 3d5c n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5c n GLY 68 N -3.20 -1.76 0.00 -0.02 0.00 -1.22 -4.46 105.19 94.53 3d5c n GLY 68 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3d5c n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5c n GLY 69 N -1.33 0.87 0.07 -0.02 0.00 -1.26 -4.97 105.19 98.54 3d5c n GLY 69 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3d5c n GLY 69 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d5c h LYS 70 N 0.00 0.00 -0.72 1.61 1.63 -2.01 -3.33 116.57 113.75 3d5c h LYS 70 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3d5c h LYS 70 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3d5c h LYS 70 CO 0.00 0.73 0.27 1.03 -3.45 0.00 0.00 179.45 178.02 3d5c h SER 71 N -1.00 1.01 -0.73 4.20 0.87 -2.00 -2.46 113.55 113.44 3d5c h SER 71 Ca -0.01 -0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.53 3d5c h SER 71 Cb 0.73 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 3d5c h SER 71 CO -0.00 0.92 0.49 1.23 -0.53 0.00 0.00 176.83 178.94 3d5c h GLY 72 N 1.04 0.57 1.50 5.77 0.00 -1.88 0.57 103.07 110.63 3d5c h GLY 72 Ca 0.24 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 3d5c h GLY 72 CO -0.02 0.04 -0.39 1.46 0.00 0.00 0.00 176.54 177.64 3d5c h GLN 73 N 0.33 0.56 -0.40 4.80 4.20 -1.55 -1.49 115.11 121.56 3d5c h GLN 73 Ca 0.36 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3d5c h GLN 73 Cb 0.93 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3d5c h GLN 73 CO -0.10 0.86 -0.19 0.82 -0.67 0.00 0.00 178.83 179.55 3d5c h ILE 74 N 0.46 1.27 -0.16 2.54 2.04 -0.86 -1.26 117.51 121.54 3d5c h ILE 74 Ca 0.04 -1.28 -0.16 0.00 1.00 0.00 0.00 64.86 64.46 3d5c h ILE 74 Cb 0.88 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3d5c h ILE 74 CO 0.08 0.43 -0.56 0.44 0.00 0.00 0.00 178.15 178.54 3d5c h ASP 75 N 0.67 0.54 -0.45 1.72 3.32 -1.26 -1.05 116.42 119.91 3d5c h ASP 75 Ca 0.10 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 3d5c h ASP 75 Cb 0.69 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3d5c h ASP 75 CO 0.05 0.98 0.04 0.00 -1.72 0.00 0.00 179.24 178.60 3d5c h ALA 76 N 1.03 0.60 0.00 3.45 0.00 -0.97 -1.97 119.26 121.40 3d5c h ALA 76 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3d5c h ALA 76 Cb 1.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3d5c h ALA 76 CO 0.10 0.36 -0.21 0.82 0.00 0.00 0.00 179.25 180.31 3d5c h ILE 77 N 0.62 0.47 -0.20 0.00 2.04 -1.23 0.49 117.51 119.70 3d5c h ILE 77 Ca 0.13 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3d5c h ILE 77 Cb 0.43 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3d5c h ILE 77 CO 0.02 0.21 0.08 0.50 0.00 0.00 0.00 178.15 178.95 3d5c h LYS 78 N 0.00 0.30 0.00 2.37 3.64 -0.56 -1.99 116.57 120.34 3d5c h LYS 78 Ca -0.00 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.10 3d5c h LYS 78 Cb 0.84 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 3d5c h LYS 78 CO 0.03 0.37 -1.42 1.25 -2.27 0.00 0.00 179.45 177.41 3d5c h LEU 79 N 0.17 0.00 0.34 5.20 7.12 -1.31 -3.27 115.31 123.56 3d5c h LEU 79 Ca 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 3d5c h LEU 79 Cb 0.18 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 3d5c h LEU 79 CO -0.00 0.78 -0.24 1.23 -0.13 0.00 0.00 178.44 180.07 3d5c h GLY 80 N 3.55 -0.60 1.80 3.75 0.00 0.01 -1.72 103.07 109.86 3d5c h GLY 80 Ca -0.18 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3d5c h GLY 80 CO 0.07 -0.23 0.01 -2.22 0.00 0.00 0.00 176.54 174.17 3d5c h ILE 81 N -0.57 1.11 -0.78 2.60 2.04 -1.53 -1.98 117.51 118.40 3d5c h ILE 81 Ca -0.03 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3d5c h ILE 81 Cb 0.49 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3d5c h ILE 81 CO 0.01 0.14 0.50 0.00 0.00 0.00 0.00 178.15 178.81 3d5c h ALA 82 N 1.76 1.03 0.00 1.87 0.00 -1.46 0.11 119.26 122.57 3d5c h ALA 82 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3d5c h ALA 82 Cb 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3d5c h ALA 82 CO 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 3d5c h ARG 83 N 0.98 0.00 0.22 0.00 3.08 -0.62 -2.90 114.38 115.13 3d5c h ARG 83 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3d5c h ARG 83 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3d5c h ARG 83 CO -0.11 0.07 -0.10 0.00 -1.07 0.00 0.00 179.97 178.75 3d5c h ALA 84 N 1.93 -0.30 0.00 0.04 0.00 -0.51 -2.17 119.26 118.25 3d5c h ALA 84 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3d5c h ALA 84 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3d5c h ALA 84 CO 0.01 -0.28 0.00 1.37 0.00 0.00 0.00 179.25 180.35 3d5c h LEU 85 N -1.04 0.00 0.00 0.00 8.10 -1.14 -1.10 115.31 120.13 3d5c h LEU 85 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.91 3d5c h LEU 85 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 3d5c h LEU 85 CO 0.05 0.00 -1.22 0.55 -4.11 0.00 0.00 178.44 173.71 3d5c n VAL 86 N -2.70 0.71 0.32 0.15 3.14 -1.09 -3.14 118.33 115.72 3d5c n VAL 86 Ca -0.01 -0.58 0.20 0.00 -2.96 0.00 0.00 64.34 60.98 3d5c n VAL 86 Cb 0.11 -0.41 1.07 0.00 -1.06 0.00 0.00 33.84 33.56 3d5c n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3d5c h GLN 87 N 0.00 0.00 -0.22 1.45 4.15 -0.51 -2.45 115.11 117.52 3d5c h GLN 87 Ca -0.05 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.16 3d5c h GLN 87 Cb 1.16 0.00 -0.29 0.00 0.21 0.00 0.00 27.48 28.56 3d5c h GLN 87 CO 0.01 0.01 -0.86 0.66 -1.93 0.00 0.00 178.83 176.72 3d5c n TYR 88 N -3.37 0.75 -2.76 3.99 4.02 -1.24 -4.93 117.16 113.63 3d5c n TYR 88 Ca -0.03 -1.43 -0.04 0.00 -0.01 0.00 0.00 57.90 56.39 3d5c n TYR 88 Cb 0.09 -0.23 0.01 0.00 -0.02 0.00 0.00 39.34 39.20 3d5c n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3d5c n ASN 89 N -0.41 -3.34 -0.26 7.72 3.02 -0.92 -5.01 115.26 116.06 3d5c n ASN 89 Ca 0.17 -2.89 0.07 0.00 -0.03 0.00 0.00 54.58 51.89 3d5c n ASN 89 Cb 0.91 1.73 0.31 0.00 -0.61 0.00 0.00 39.78 42.12 3d5c n ASN 89 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3d5c h PRO 90 N 4.87 0.84 -0.02 3.52 0.13 -1.90 -1.63 132.00 137.81 3d5c h PRO 90 Ca 0.04 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 3d5c h PRO 90 Cb 1.10 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3d5c h PRO 90 CO 0.04 0.55 -0.51 -0.44 -0.23 0.00 0.00 178.00 177.41 3d5c h ASP 91 N 0.86 0.07 0.00 1.44 3.32 -1.94 -3.01 116.42 117.16 3d5c h ASP 91 Ca 0.38 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3d5c h ASP 91 Cb 0.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3d5c h ASP 91 CO -0.15 0.57 0.00 -1.22 -1.72 0.00 0.00 179.24 176.72 3d5c n TYR 92 N -3.93 0.00 0.08 4.55 4.02 -0.62 -1.72 117.16 119.54 3d5c n TYR 92 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.94 3d5c n TYR 92 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 3d5c n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3d5c h ARG 93 N 0.00 0.00 0.00 -0.72 2.43 -1.52 -2.43 114.38 112.14 3d5c h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3d5c h ARG 93 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3d5c h ARG 93 CO 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 3d5c n ALA 94 N -2.26 2.58 -0.02 2.80 0.00 -0.70 -2.01 120.51 120.90 3d5c n ALA 94 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3d5c n ALA 94 Cb 0.67 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3d5c n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3d5c n LYS 95 N -0.76 0.27 -0.09 0.00 -0.00 -1.25 -4.70 118.16 111.64 3d5c n LYS 95 Ca 0.12 -0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.21 3d5c n LYS 95 Cb 0.06 -0.03 -0.12 0.00 -0.00 0.00 0.00 35.03 34.93 3d5c n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3d5c n LEU 96 N -0.04 2.53 -0.10 -5.58 7.94 -0.91 -3.76 117.00 117.07 3d5c n LEU 96 Ca 0.00 0.13 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 3d5c n LEU 96 Cb 0.01 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 3d5c n LEU 96 CO 0.00 0.75 0.90 0.50 -1.11 0.00 0.00 177.39 178.43 3d5c h LYS 97 N -0.31 0.48 -0.13 1.96 1.63 -1.64 -2.63 116.57 115.93 3d5c h LYS 97 Ca -0.53 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.18 3d5c h LYS 97 Cb 1.80 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.35 3d5c h LYS 97 CO -0.12 0.48 0.05 -1.35 -3.45 0.00 0.00 179.45 175.06 3d5c h PRO 98 N 0.38 0.17 -0.26 1.90 0.11 -1.77 0.92 132.00 133.44 3d5c h PRO 98 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3d5c h PRO 98 Cb 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3d5c h PRO 98 CO -0.01 0.15 0.00 -0.11 -0.21 0.00 0.00 178.00 177.82 3d5c n LEU 99 N -4.48 0.72 -2.98 2.35 -0.00 -1.01 -4.94 117.00 106.67 3d5c n LEU 99 Ca -0.01 -0.36 -0.12 0.00 -0.00 0.00 0.00 56.01 55.51 3d5c n LEU 99 Cb 0.11 -0.15 0.01 0.00 -0.00 0.00 0.00 43.42 43.39 3d5c n LEU 99 CO 0.35 0.16 -0.14 0.61 -0.00 0.00 0.00 177.39 178.37 3d5c n GLY 100 N 0.54 -1.45 0.00 -3.96 0.00 0.32 -4.99 105.19 95.64 3d5c n GLY 100 Ca 0.03 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.10 3d5c n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d5c n PHE 101 N -0.02 0.00 -2.60 1.61 0.99 -1.18 -4.95 117.46 111.31 3d5c n PHE 101 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.07 3d5c n PHE 101 Cb 0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.91 3d5c n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3d5c s LEU 102 N -3.62 3.89 -0.25 4.37 1.43 -1.26 -4.70 118.68 118.53 3d5c s LEU 102 Ca 0.00 -2.44 -0.14 0.00 -1.03 0.00 0.00 54.13 50.52 3d5c s LEU 102 Cb 0.00 -2.57 0.07 0.00 0.03 0.00 0.00 46.19 43.72 3d5c s LEU 102 CO 0.00 -1.16 0.61 -0.89 0.23 0.00 0.00 176.35 175.14 3d5c s THR 103 N 4.13 -0.01 -1.54 5.49 2.01 -1.26 -5.01 115.64 119.45 3d5c s THR 103 Ca 0.53 0.03 0.13 0.00 0.31 0.00 0.00 61.69 62.69 3d5c s THR 103 Cb 0.04 -0.88 0.26 0.00 0.01 0.00 0.00 72.50 71.92 3d5c s THR 103 CO 0.07 0.01 1.32 -1.14 -0.69 0.00 0.00 174.62 174.19 3d5c n ARG 104 N 4.24 0.23 -2.59 4.92 0.00 -1.26 -4.89 116.66 117.31 3d5c n ARG 104 Ca -0.21 0.13 -0.06 0.00 -0.00 0.00 0.00 57.85 57.71 3d5c n ARG 104 Cb 0.58 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.55 3d5c n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3d5c n ASP 105 N -1.23 -6.88 -0.09 6.15 4.64 -1.26 -4.64 116.55 113.23 3d5c n ASP 105 Ca 0.07 0.49 0.26 0.00 -1.38 0.00 0.00 54.79 54.23 3d5c n ASP 105 Cb 0.09 -4.60 0.71 0.00 -1.04 0.00 0.00 41.12 36.29 3d5c n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3d5c h ALA 106 N 1.69 2.61 -1.19 -1.67 0.00 -1.99 -3.42 119.26 115.30 3d5c h ALA 106 Ca 0.00 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 3d5c h ALA 106 Cb 0.76 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3d5c h ALA 106 CO 0.16 -1.02 1.31 0.54 0.00 0.00 0.00 179.25 180.24 3d5c n ARG 107 N -3.97 1.13 -3.97 0.00 1.74 -1.26 -4.92 116.66 105.40 3d5c n ARG 107 Ca 0.15 0.34 -0.08 0.00 -0.77 0.00 0.00 57.85 57.49 3d5c n ARG 107 Cb 0.91 -2.38 -0.09 0.00 -1.02 0.00 0.00 32.46 29.88 3d5c n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3d5c s VAL 108 N 6.41 0.17 0.24 1.55 -7.23 -1.26 -4.83 120.40 115.45 3d5c s VAL 108 Ca 1.07 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 3d5c s VAL 108 Cb -0.91 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 3d5c s VAL 108 CO 0.53 -0.79 1.33 0.68 -0.31 0.00 0.00 175.10 176.53 3d5c s VAL 109 N -3.69 3.03 -0.00 1.32 -7.23 -1.26 -5.02 120.40 107.55 3d5c s VAL 109 Ca 0.04 0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 61.04 3d5c s VAL 109 Cb 0.05 -3.56 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 3d5c s VAL 109 CO -0.10 0.15 0.24 -1.83 -0.31 0.00 0.00 175.10 173.26 3d5c s GLU 110 N -0.51 3.54 0.44 4.82 -1.05 -1.26 -5.05 118.70 119.63 3d5c s GLU 110 Ca 0.55 -0.13 -0.22 0.00 -0.15 0.00 0.00 54.97 55.03 3d5c s GLU 110 Cb -0.38 -3.09 -0.12 0.00 -0.44 0.00 0.00 34.13 30.10 3d5c s GLU 110 CO 0.42 0.66 0.58 -2.13 0.95 0.00 0.00 175.26 175.74 3d5c n ARG 111 N 1.14 0.63 -2.42 -4.83 0.63 -1.26 -4.87 116.66 105.68 3d5c n ARG 111 Ca -0.12 0.23 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 3d5c n ARG 111 Cb 0.53 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 3d5c n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3d5c s LYS 112 N -1.68 3.78 0.28 -0.14 2.36 -1.26 -4.45 119.74 118.63 3d5c s LYS 112 Ca 0.64 1.07 -0.29 0.00 -2.55 0.00 0.00 55.97 54.83 3d5c s LYS 112 Cb -0.58 -3.93 -0.10 0.00 -1.05 0.00 0.00 37.83 32.18 3d5c s LYS 112 CO 0.58 -1.30 1.24 0.15 1.55 0.00 0.00 175.35 177.57 3d5c s LYS 113 N 4.45 4.45 0.52 4.03 -0.14 -1.26 -4.79 119.74 127.00 3d5c s LYS 113 Ca 0.57 2.04 -0.20 0.00 -1.36 0.00 0.00 55.97 57.03 3d5c s LYS 113 Cb -0.14 -3.14 -0.07 0.00 -1.68 0.00 0.00 37.83 32.80 3d5c s LYS 113 CO 0.27 -0.08 1.09 1.52 -0.76 0.00 0.00 175.35 177.39 3d5c s TYR 114 N -0.83 2.82 0.00 3.18 -0.85 -1.26 -3.04 117.35 117.37 3d5c s TYR 114 Ca 0.49 1.56 0.00 0.00 -0.52 0.00 0.00 57.07 58.60 3d5c s TYR 114 Cb -0.36 -3.18 0.00 0.00 0.38 0.00 0.00 41.96 38.80 3d5c s TYR 114 CO 0.46 -1.23 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 3d5c n GLY 115 N -0.09 2.79 0.00 5.49 0.00 -1.26 -4.99 105.19 107.13 3d5c n GLY 115 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3d5c n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5c n LYS 116 N 0.00 1.50 -0.06 1.61 4.76 -1.17 -4.77 118.16 120.04 3d5c n LYS 116 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 3d5c n LYS 116 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 3d5c n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3d5c n HIS 117 N -0.74 0.00 -2.90 2.13 8.25 -0.65 -4.88 115.22 116.43 3d5c n HIS 117 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3d5c n HIS 117 Cb 0.00 -0.50 0.03 0.00 1.12 0.00 0.00 29.99 30.64 3d5c n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d5c n LYS 118 N -2.81 1.05 0.00 -0.41 5.02 -1.18 -4.96 118.16 114.87 3d5c n LYS 118 Ca -0.22 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 3d5c n LYS 118 Cb 0.75 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 3d5c n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d5c n ALA 119 N 0.11 0.00 0.16 7.82 0.00 -1.26 -3.76 120.51 123.57 3d5c n ALA 119 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3d5c n ALA 119 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3d5c n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d5c n ARG 120 N -1.40 0.00 -1.55 0.00 1.74 -1.26 -4.57 116.66 109.62 3d5c n ARG 120 Ca 0.00 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.55 3d5c n ARG 120 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 3d5c n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3d5c n ARG 121 N -3.33 1.23 -3.59 5.56 0.00 -1.25 -4.84 116.66 110.44 3d5c n ARG 121 Ca 0.00 0.40 -0.26 0.00 -0.00 0.00 0.00 57.85 57.98 3d5c n ARG 121 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 32.46 30.08 3d5c n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d5c s ALA 122 N 5.66 3.78 0.64 5.13 0.00 -1.26 -1.63 121.76 134.07 3d5c s ALA 122 Ca 1.04 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 3d5c s ALA 122 Cb -0.92 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 3d5c s ALA 122 CO 0.55 0.30 1.14 -0.35 0.00 0.00 0.00 175.76 177.40 3d5c n PRO 123 N -0.98 0.98 -1.54 0.00 -0.04 -1.26 -4.81 135.00 127.35 3d5c n PRO 123 Ca -0.05 0.39 -0.46 0.00 -0.04 0.00 0.00 63.50 63.35 3d5c n PRO 123 Cb 0.54 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 3d5c n PRO 123 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3d5c n GLN 124 N -1.56 1.58 -2.04 0.54 6.02 -1.26 -4.91 117.38 115.75 3d5c n GLN 124 Ca 0.15 0.42 -0.39 0.00 -0.01 0.00 0.00 57.00 57.17 3d5c n GLN 124 Cb 0.48 -2.94 0.00 0.00 1.02 0.00 0.00 30.24 28.80 3d5c n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3d5c s TYR 125 N 8.12 2.76 0.16 1.08 6.14 -1.26 -5.03 117.35 129.31 3d5c s TYR 125 Ca 1.04 1.41 -0.13 0.00 0.64 0.00 0.00 57.07 60.04 3d5c s TYR 125 Cb -0.53 -3.67 0.01 0.00 0.42 0.00 0.00 41.96 38.19 3d5c s TYR 125 CO 0.40 -2.15 0.37 -1.54 0.64 0.00 0.00 175.55 173.27 3d5c s SER 126 N -0.81 -0.09 0.00 4.32 1.04 -1.26 -5.06 113.70 111.84 3d5c s SER 126 Ca 0.59 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3d5c s SER 126 Cb -0.38 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3d5c s SER 126 CO 0.48 -0.92 0.00 1.17 0.98 0.00 0.00 173.24 174.94 3d5c n LYS 127 N -0.24 2.38 0.00 4.02 0.00 -1.26 -5.30 118.16 117.75 3d5c n LYS 127 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.21 3d5c n LYS 127 Cb 0.63 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.99 3d5c n LYS 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94