#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s ILE 4 N 0.00 4.97 -0.11 1.96 1.01 -1.26 -1.00 121.20 126.76 3n8k s ILE 4 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3n8k s ILE 4 Cb 0.00 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3n8k s ILE 4 CO 0.00 0.42 -0.13 -0.69 0.00 0.00 0.00 174.94 174.54 3n8k s VAL 5 N 0.68 3.11 -0.31 2.92 1.01 0.10 -4.06 120.40 123.86 3n8k s VAL 5 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 3n8k s VAL 5 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3n8k s VAL 5 CO 0.01 0.54 0.31 0.20 0.00 0.00 0.00 175.10 176.17 3n8k s ASN 6 N 0.11 6.15 -0.31 3.32 0.01 -0.60 -0.86 114.94 122.77 3n8k s ASN 6 Ca -0.06 -0.04 -0.10 0.00 -0.71 0.00 0.00 52.86 51.95 3n8k s ASN 6 Cb -0.15 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 3n8k s ASN 6 CO 0.04 -0.21 0.17 -0.69 -1.51 0.00 0.00 177.10 174.90 3n8k s VAL 7 N 1.95 4.79 -0.15 1.60 1.01 -0.05 -0.29 120.40 129.26 3n8k s VAL 7 Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3n8k s VAL 7 Cb -0.16 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3n8k s VAL 7 CO 0.11 0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.46 3n8k s ILE 8 N 1.65 2.05 -0.13 2.22 1.01 -0.07 -0.81 121.20 127.12 3n8k s ILE 8 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3n8k s ILE 8 Cb -0.17 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3n8k s ILE 8 CO 0.07 0.54 -0.07 0.20 0.00 0.00 0.00 174.94 175.69 3n8k s ASN 9 N 0.99 4.56 0.03 3.58 0.01 0.02 -1.43 114.94 122.70 3n8k s ASN 9 Ca -0.03 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 3n8k s ASN 9 Cb -0.15 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 39.92 3n8k s ASN 9 CO -0.06 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3n8k n GLY 10 N 3.22 0.31 3.61 0.66 0.00 0.11 -1.52 105.19 111.58 3n8k n GLY 10 Ca -0.18 -1.80 -0.45 0.00 0.00 0.00 0.00 46.02 43.59 3n8k n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n8k n PRO 11 N -0.04 1.49 -0.12 1.61 -0.02 -1.10 -2.69 135.00 134.14 3n8k n PRO 11 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3n8k n PRO 11 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3n8k n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n8k n ASN 12 N 1.50 0.00 0.07 2.55 3.02 -1.26 -4.43 115.26 116.71 3n8k n ASN 12 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3n8k n ASN 12 Cb 0.31 -0.47 0.46 0.00 -0.61 0.00 0.00 39.78 39.46 3n8k n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n8k n LEU 13 N 0.00 0.47 0.16 3.41 4.77 -1.09 -1.76 117.00 122.95 3n8k n LEU 13 Ca 0.00 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 3n8k n LEU 13 Cb 0.00 -0.46 0.49 0.00 -2.33 0.00 0.00 43.42 41.11 3n8k n LEU 13 CO 0.00 -0.28 0.88 1.23 -1.33 0.00 0.00 177.39 177.90 3n8k h GLY 14 N 3.57 0.00 -1.26 -0.72 0.00 -1.88 -3.19 103.07 99.58 3n8k h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n8k h GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3n8k n ARG 15 N -2.44 1.93 -1.65 4.80 5.12 -0.72 -4.65 116.66 119.04 3n8k n ARG 15 Ca 0.03 -1.41 -0.45 0.00 -1.93 0.00 0.00 57.85 54.09 3n8k n ARG 15 Cb 0.31 -1.40 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 3n8k n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n8k n LEU 16 N 0.63 2.69 0.00 0.55 4.77 -1.21 -1.32 117.00 123.12 3n8k n LEU 16 Ca 0.16 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 3n8k n LEU 16 Cb 0.39 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3n8k n LEU 16 CO 0.13 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.03 3n8k n GLY 17 N 1.79 2.93 0.10 -0.72 0.00 -1.10 -3.78 105.19 104.40 3n8k n GLY 17 Ca 0.11 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 3n8k n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3n8k h ARG 18 N 0.00 0.00 -6.57 1.61 3.08 -1.50 -3.45 114.38 107.55 3n8k h ARG 18 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3n8k h ARG 18 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 3n8k h ARG 18 CO 0.00 0.91 0.60 -0.98 -1.07 0.00 0.00 179.97 179.43 3n8k s ARG 19 N -2.35 4.42 -0.06 0.04 1.70 -0.44 -4.37 118.95 117.90 3n8k s ARG 19 Ca -0.28 1.89 -0.00 0.00 -0.47 0.00 0.00 55.73 56.87 3n8k s ARG 19 Cb 0.06 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 3n8k s ARG 19 CO 0.56 -0.24 0.04 0.39 -1.08 0.00 0.00 175.30 174.97 3n8k n GLU 20 N 3.34 -0.12 0.25 3.89 1.02 -1.26 -4.56 120.64 123.21 3n8k n GLU 20 Ca 0.08 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 3n8k n GLU 20 Cb 0.45 -0.16 0.81 0.00 -0.02 0.00 0.00 31.44 32.51 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3n8k h PRO 21 N 0.79 0.00 0.00 3.49 0.13 -1.79 0.69 132.00 135.31 3n8k h PRO 21 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3n8k h PRO 21 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.23 3n8k h PRO 21 CO 0.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.80 3n8k h ALA 22 N 1.95 1.00 0.01 -0.56 0.00 -1.87 -0.26 119.26 119.53 3n8k h ALA 22 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.53 3n8k h ALA 22 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3n8k h ALA 22 CO -0.00 0.00 -2.39 0.28 0.00 0.00 0.00 179.25 177.14 3n8k n VAL 23 N -2.83 1.53 0.45 0.00 0.31 0.10 -4.75 118.33 113.14 3n8k n VAL 23 Ca 0.02 -0.49 0.05 0.00 -0.01 0.00 0.00 64.34 63.91 3n8k n VAL 23 Cb 0.34 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 3n8k n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n8k n TYR 24 N -3.67 0.00 0.00 3.52 4.02 -0.39 -4.48 117.16 116.16 3n8k n TYR 24 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 3n8k n TYR 24 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n8k n GLY 25 N 1.00 -0.21 1.21 2.72 0.00 -0.11 -4.75 105.19 105.06 3n8k n GLY 25 Ca 0.03 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.35 3n8k n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n8k n GLY 26 N -0.18 2.55 3.70 -0.02 0.00 -1.26 -3.83 105.19 106.15 3n8k n GLY 26 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3n8k n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n8k s THR 27 N -1.00 4.95 0.73 2.61 2.01 -1.26 -4.58 115.64 119.10 3n8k s THR 27 Ca 0.44 1.68 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 3n8k s THR 27 Cb 0.23 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.62 3n8k s THR 27 CO 0.30 0.17 1.09 0.42 -0.69 0.00 0.00 174.62 175.91 3n8k s THR 28 N 1.19 3.51 0.31 -0.82 -4.23 -1.26 -2.71 115.64 111.63 3n8k s THR 28 Ca 0.42 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 3n8k s THR 28 Cb -0.18 -3.38 0.12 0.00 1.34 0.00 0.00 72.50 70.40 3n8k s THR 28 CO 0.20 -0.64 1.81 -0.74 -0.54 0.00 0.00 174.62 174.71 3n8k h HIS 29 N -0.78 0.53 -0.50 3.99 2.76 -1.83 -0.94 115.15 118.38 3n8k h HIS 29 Ca -0.45 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 57.62 3n8k h HIS 29 Cb 1.25 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 3n8k h HIS 29 CO 0.51 0.60 0.25 -0.44 -1.30 0.00 0.00 177.93 177.56 3n8k h ASP 30 N 0.46 0.65 -0.29 3.26 3.32 -1.93 -0.05 116.42 121.85 3n8k h ASP 30 Ca 0.09 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3n8k h ASP 30 Cb 0.48 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3n8k h ASP 30 CO 0.03 0.59 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.77 3n8k h GLU 31 N 0.67 0.64 -0.22 3.56 5.08 -1.87 -1.88 114.58 120.56 3n8k h GLU 31 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3n8k h GLU 31 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3n8k h GLU 31 CO -0.02 0.68 0.07 1.25 -1.00 0.00 0.00 179.01 179.99 3n8k h LEU 32 N 0.60 0.32 -0.34 1.33 5.85 -0.82 -0.85 115.31 121.40 3n8k h LEU 32 Ca 0.12 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3n8k h LEU 32 Cb 0.42 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3n8k h LEU 32 CO 0.02 0.43 -0.07 0.58 -0.34 0.00 0.00 178.44 179.06 3n8k h VAL 33 N 0.19 0.68 -0.77 1.05 2.07 -0.79 -0.70 116.25 117.99 3n8k h VAL 33 Ca 0.07 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3n8k h VAL 33 Cb 0.23 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3n8k h VAL 33 CO -0.00 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.85 3n8k h ALA 34 N 1.33 1.00 -0.40 1.67 0.00 -1.24 -1.07 119.26 120.55 3n8k h ALA 34 Ca 0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3n8k h ALA 34 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3n8k h ALA 34 CO -0.34 0.67 -0.15 -0.07 0.00 0.00 0.00 179.25 179.36 3n8k h LEU 35 N 1.13 0.74 -0.22 0.00 3.38 -0.83 -1.83 115.31 117.68 3n8k h LEU 35 Ca 0.25 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3n8k h LEU 35 Cb 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3n8k h LEU 35 CO -0.01 0.90 -0.21 0.40 0.09 0.00 0.00 178.44 179.61 3n8k h ILE 36 N 0.66 1.32 -0.30 1.22 2.04 -0.88 -2.21 117.51 119.36 3n8k h ILE 36 Ca 0.11 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 3n8k h ILE 36 Cb 0.63 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3n8k h ILE 36 CO 0.04 0.42 -0.08 -0.33 0.00 0.00 0.00 178.15 178.20 3n8k h GLU 37 N 0.23 0.50 -0.07 2.37 5.08 -1.15 -0.17 114.58 121.36 3n8k h GLU 37 Ca 0.04 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3n8k h GLU 37 Cb 0.75 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3n8k h GLU 37 CO 0.05 0.58 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.52 3n8k h ARG 38 N 0.46 0.16 -0.82 2.33 2.43 -1.33 -2.64 114.38 114.98 3n8k h ARG 38 Ca 0.09 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3n8k h ARG 38 Cb 0.43 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3n8k h ARG 38 CO 0.02 0.54 0.37 1.49 -1.51 0.00 0.00 179.97 180.88 3n8k h GLU 39 N -0.23 1.19 -0.86 0.20 4.57 -1.20 -2.55 114.58 115.71 3n8k h GLU 39 Ca 0.02 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3n8k h GLU 39 Cb 0.49 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3n8k h GLU 39 CO 0.01 0.93 0.49 0.00 -1.18 0.00 0.00 179.01 179.27 3n8k h ALA 40 N 1.23 1.25 -0.34 2.92 0.00 -1.05 -2.32 119.26 120.94 3n8k h ALA 40 Ca 0.28 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3n8k h ALA 40 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3n8k h ALA 40 CO -0.03 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 3n8k h ALA 41 N 1.35 1.28 -0.10 0.00 0.00 -1.09 0.18 119.26 120.88 3n8k h ALA 41 Ca 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3n8k h ALA 41 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3n8k h ALA 41 CO -0.05 0.48 -0.32 0.93 0.00 0.00 0.00 179.25 180.29 3n8k h GLU 42 N 0.51 0.20 -0.01 0.00 3.07 -1.05 -3.14 114.58 114.16 3n8k h GLU 42 Ca 0.10 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3n8k h GLU 42 Cb 0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3n8k h GLU 42 CO 0.02 0.50 -0.21 1.28 -1.40 0.00 0.00 179.01 179.20 3n8k n LEU 43 N -4.11 1.57 -0.60 1.33 4.77 -0.92 -4.94 117.00 114.10 3n8k n LEU 43 Ca -0.01 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.41 3n8k n LEU 43 Cb 0.40 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3n8k n LEU 43 CO 0.40 0.28 -0.07 0.61 -1.33 0.00 0.00 177.39 177.28 3n8k n GLY 44 N 1.32 0.25 3.64 -0.72 0.00 -0.73 -4.98 105.19 103.97 3n8k n GLY 44 Ca 0.13 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3n8k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8k s LEU 45 N -1.53 3.03 -0.17 0.99 1.43 0.54 -4.50 118.68 118.46 3n8k s LEU 45 Ca 0.00 -0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 3n8k s LEU 45 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.80 3n8k s LEU 45 CO 0.00 -0.22 -0.15 -0.75 0.23 0.00 0.00 176.35 175.46 3n8k s LYS 46 N -3.73 3.17 -0.17 1.70 2.20 -0.17 -3.77 119.74 118.97 3n8k s LYS 46 Ca 0.35 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3n8k s LYS 46 Cb -0.01 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 3n8k s LYS 46 CO 0.20 -0.09 -0.01 0.00 -0.36 0.00 0.00 175.35 175.09 3n8k s ALA 47 N 1.08 3.12 -0.36 3.13 0.00 -1.26 0.02 121.76 127.49 3n8k s ALA 47 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3n8k s ALA 47 Cb -0.14 -1.67 0.06 0.00 0.00 0.00 0.00 23.12 21.37 3n8k s ALA 47 CO -0.05 0.18 0.13 0.08 0.00 0.00 0.00 175.76 176.11 3n8k s VAL 48 N 0.40 3.60 -0.28 0.00 1.01 -0.04 -4.87 120.40 120.21 3n8k s VAL 48 Ca -0.02 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 3n8k s VAL 48 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3n8k s VAL 48 CO 0.02 -0.32 0.17 -0.69 0.00 0.00 0.00 175.10 174.28 3n8k s VAL 49 N 1.32 5.02 0.01 2.92 1.01 -1.26 -0.87 120.40 128.56 3n8k s VAL 49 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3n8k s VAL 49 Cb -0.21 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3n8k s VAL 49 CO 0.00 0.22 -0.12 -0.13 0.00 0.00 0.00 175.10 175.08 3n8k s ARG 50 N 1.71 0.86 -0.03 2.72 0.52 0.01 -5.00 118.95 119.75 3n8k s ARG 50 Ca 0.07 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 3n8k s ARG 50 Cb -0.16 -0.83 -0.00 0.00 0.52 0.00 0.00 34.95 34.47 3n8k s ARG 50 CO 0.09 0.22 -0.13 -1.14 0.02 0.00 0.00 175.30 174.36 3n8k s GLN 51 N -0.70 1.24 -0.07 3.54 -0.44 -1.26 -0.80 119.66 121.17 3n8k s GLN 51 Ca 0.02 -0.45 -0.12 0.00 -2.50 0.00 0.00 55.36 52.31 3n8k s GLN 51 Cb -0.06 -1.14 0.03 0.00 -1.64 0.00 0.00 33.01 30.20 3n8k s GLN 51 CO 0.00 0.21 0.30 0.45 0.50 0.00 0.00 175.29 176.75 3n8k s SER 52 N -0.02 -0.25 0.00 6.67 0.15 -0.58 -4.98 113.70 114.69 3n8k s SER 52 Ca -0.00 0.39 0.28 0.00 0.70 0.00 0.00 55.95 57.31 3n8k s SER 52 Cb -0.08 0.50 1.12 0.00 -1.71 0.00 0.00 66.02 65.85 3n8k s SER 52 CO 0.01 -0.24 1.80 0.47 1.20 0.00 0.00 173.24 176.47 3n8k n ASP 53 N 2.25 0.53 -4.64 5.45 8.00 -1.26 -2.70 116.55 124.18 3n8k n ASP 53 Ca -0.17 -0.55 -0.38 0.00 0.71 0.00 0.00 54.79 54.40 3n8k n ASP 53 Cb 0.57 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n8k s SER 54 N -2.53 6.25 0.15 -2.24 0.15 -1.26 -4.61 113.70 109.61 3n8k s SER 54 Ca 0.27 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 3n8k s SER 54 Cb 0.20 -2.17 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 3n8k s SER 54 CO 0.49 -0.05 1.75 -0.08 1.20 0.00 0.00 173.24 176.55 3n8k h GLU 55 N 7.71 0.25 -0.78 5.44 4.81 -2.00 -2.33 114.58 127.68 3n8k h GLU 55 Ca -0.35 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 3n8k h GLU 55 Cb 1.17 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 3n8k h GLU 55 CO 0.66 0.17 0.45 0.00 -0.73 0.00 0.00 179.01 179.56 3n8k h ALA 56 N 1.23 1.08 -0.50 2.92 0.00 -1.99 -0.96 119.26 121.04 3n8k h ALA 56 Ca 0.16 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3n8k h ALA 56 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3n8k h ALA 56 CO -0.17 0.13 -0.06 0.37 0.00 0.00 0.00 179.25 179.52 3n8k h GLN 57 N 0.80 0.87 -0.53 0.00 5.75 -1.93 -2.19 115.11 117.89 3n8k h GLN 57 Ca 0.36 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.49 3n8k h GLN 57 Cb 0.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3n8k h GLN 57 CO -0.21 0.91 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.77 3n8k h LEU 58 N 0.80 0.96 -0.76 -2.39 3.38 -0.85 -2.39 115.31 114.05 3n8k h LEU 58 Ca 0.14 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3n8k h LEU 58 Cb 0.56 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3n8k h LEU 58 CO 0.03 1.05 0.50 -0.07 0.09 0.00 0.00 178.44 180.04 3n8k h LEU 59 N 0.84 0.84 -0.44 1.67 3.38 -1.03 -1.63 115.31 118.93 3n8k h LEU 59 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3n8k h LEU 59 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3n8k h LEU 59 CO 0.04 0.59 0.15 -0.78 0.09 0.00 0.00 178.44 178.52 3n8k h ASP 60 N 0.99 0.63 -0.79 -0.43 -0.00 -1.24 0.05 116.42 115.62 3n8k h ASP 60 Ca 0.29 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.03 57.11 3n8k h ASP 60 Cb -0.05 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.33 39.08 3n8k h ASP 60 CO -0.09 0.66 0.41 -0.50 -0.00 0.00 0.00 179.24 179.72 3n8k h TRP 61 N 0.57 1.12 -0.56 0.28 6.55 -1.26 -1.17 115.95 121.47 3n8k h TRP 61 Ca 0.14 -0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.91 3n8k h TRP 61 Cb 0.25 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.17 3n8k h TRP 61 CO 0.01 0.80 0.22 0.82 -1.05 0.00 0.00 178.44 179.24 3n8k h ILE 62 N 1.11 1.22 -0.61 1.49 1.08 -1.07 -1.22 117.51 119.51 3n8k h ILE 62 Ca 0.28 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 64.09 3n8k h ILE 62 Cb 0.07 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 3n8k h ILE 62 CO -0.04 0.27 0.35 0.45 -0.69 0.00 0.00 178.15 178.48 3n8k h HIS 63 N 0.77 0.64 -0.77 1.37 3.86 -0.62 0.11 115.15 120.50 3n8k h HIS 63 Ca 0.19 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3n8k h HIS 63 Cb 0.20 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3n8k h HIS 63 CO 0.01 0.33 0.29 1.96 0.86 0.00 0.00 177.93 181.37 3n8k h GLN 64 N 0.66 1.17 -0.07 2.45 4.20 -0.98 -1.13 115.11 121.42 3n8k h GLN 64 Ca 0.27 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3n8k h GLN 64 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3n8k h GLN 64 CO -0.15 0.96 -0.35 0.00 -0.67 0.00 0.00 178.83 178.63 3n8k h ALA 65 N 1.15 1.30 -0.23 3.87 0.00 -0.76 -1.86 119.26 122.74 3n8k h ALA 65 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3n8k h ALA 65 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3n8k h ALA 65 CO -0.02 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.54 3n8k h ALA 66 N 1.54 0.33 -0.27 0.00 0.00 -0.48 -1.02 119.26 119.36 3n8k h ALA 66 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 66 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3n8k h ALA 66 CO 0.05 0.25 -0.15 -0.44 0.00 0.00 0.00 179.25 178.97 3n8k h ASP 67 N 0.23 0.45 0.21 0.00 3.32 -1.09 -2.89 116.42 116.65 3n8k h ASP 67 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3n8k h ASP 67 Cb 0.72 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3n8k h ASP 67 CO 0.05 0.62 -0.22 0.00 -1.72 0.00 0.00 179.24 177.97 3n8k n ALA 68 N -2.48 3.01 -3.97 3.45 0.00 -0.71 -4.96 120.51 114.85 3n8k n ALA 68 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 3n8k n ALA 68 Cb 0.33 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.65 3n8k n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n8k n ALA 69 N -0.57 -1.38 -2.76 0.00 0.00 -0.77 -4.99 120.51 110.05 3n8k n ALA 69 Ca 0.13 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 3n8k n ALA 69 Cb 0.35 -3.92 -0.06 0.00 0.00 0.00 0.00 19.45 15.82 3n8k n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n8k s GLU 70 N -6.64 3.59 0.66 0.00 2.02 -0.46 -4.59 118.70 113.28 3n8k s GLU 70 Ca 0.59 -0.01 -0.17 0.00 0.02 0.00 0.00 54.97 55.40 3n8k s GLU 70 Cb -0.30 -3.14 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 3n8k s GLU 70 CO 0.85 0.70 1.25 -2.14 0.02 0.00 0.00 175.26 175.94 3n8k s PRO 71 N -1.39 2.54 -0.09 0.39 0.02 -1.26 -4.68 135.00 130.54 3n8k s PRO 71 Ca 0.22 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.17 3n8k s PRO 71 Cb -0.13 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.54 3n8k s PRO 71 CO 0.11 -1.56 -0.10 0.08 -0.33 0.00 0.00 177.00 175.20 3n8k s VAL 72 N -1.61 1.13 -0.32 3.83 1.01 -0.90 -1.56 120.40 121.98 3n8k s VAL 72 Ca 0.79 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 3n8k s VAL 72 Cb -0.33 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3n8k s VAL 72 CO 0.39 0.37 0.26 -0.63 0.00 0.00 0.00 175.10 175.49 3n8k s ILE 73 N 1.20 5.26 -0.17 2.22 1.01 0.61 -0.99 121.20 130.34 3n8k s ILE 73 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3n8k s ILE 73 Cb -0.14 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3n8k s ILE 73 CO -0.03 0.04 -0.16 -0.22 0.00 0.00 0.00 174.94 174.57 3n8k s LEU 74 N 1.80 1.94 -0.45 2.97 2.96 0.18 -0.89 118.68 127.19 3n8k s LEU 74 Ca 0.08 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3n8k s LEU 74 Cb -0.17 -1.32 0.12 0.00 0.50 0.00 0.00 46.19 45.32 3n8k s LEU 74 CO 0.11 -0.04 0.24 0.21 -1.32 0.00 0.00 176.35 175.55 3n8k s ASN 75 N 1.39 5.22 0.00 3.68 3.84 -0.51 -1.40 114.94 127.17 3n8k s ASN 75 Ca 0.04 -2.20 0.31 0.00 0.21 0.00 0.00 52.86 51.22 3n8k s ASN 75 Cb -0.13 -1.82 1.65 0.00 -0.55 0.00 0.00 41.25 40.39 3n8k s ASN 75 CO -0.11 -0.50 2.09 0.00 -2.79 0.00 0.00 177.10 175.78 3n8k n ALA 76 N 4.36 2.65 -0.98 1.71 0.00 -1.26 0.09 120.51 127.09 3n8k n ALA 76 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3n8k n ALA 76 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 1.10 3.39 0.28 0.00 0.00 -1.26 -2.54 105.19 106.16 3n8k n GLY 77 Ca 0.21 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3n8k n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n8k h GLY 78 N 0.00 0.40 2.00 -0.02 0.00 -1.95 -2.44 103.07 101.05 3n8k h GLY 78 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3n8k h GLY 78 CO 0.00 0.17 -0.00 1.41 0.00 0.00 0.00 176.54 178.12 3n8k h LEU 79 N 0.38 0.00 -1.14 3.11 3.38 -1.87 -2.67 115.31 116.50 3n8k h LEU 79 Ca 0.09 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.24 3n8k h LEU 79 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 3n8k h LEU 79 CO -0.01 0.00 0.61 0.74 0.09 0.00 0.00 178.44 179.87 3n8k h THR 80 N 0.00 0.76 -0.02 0.22 2.02 -1.54 -0.68 112.91 113.66 3n8k h THR 80 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3n8k h THR 80 Cb 0.15 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3n8k h THR 80 CO 0.00 0.13 -0.10 1.41 0.37 0.00 0.00 175.52 177.34 3n8k n HIS 81 N -4.66 0.00 0.00 3.16 8.25 -1.01 -1.61 115.22 119.35 3n8k n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n8k n HIS 81 Cb 0.54 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3n8k n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n8k n THR 82 N 0.69 0.00 -3.25 1.59 -2.24 -0.97 -4.80 114.28 105.30 3n8k n THR 82 Ca 0.14 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.49 3n8k n THR 82 Cb 0.50 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 3n8k n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n8k s SER 83 N -1.58 6.20 0.21 3.42 0.15 -0.30 -4.88 113.70 116.93 3n8k s SER 83 Ca 0.00 -0.92 0.04 0.00 0.70 0.00 0.00 55.95 55.77 3n8k s SER 83 Cb 0.00 -2.25 0.15 0.00 -1.71 0.00 0.00 66.02 62.21 3n8k s SER 83 CO 0.00 -0.75 1.49 0.58 1.20 0.00 0.00 173.24 175.76 3n8k h VAL 84 N 5.80 1.44 -0.46 4.45 2.07 -1.96 -3.09 116.25 124.50 3n8k h VAL 84 Ca -0.27 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3n8k h VAL 84 Cb 1.10 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3n8k h VAL 84 CO 0.90 0.66 0.30 0.00 0.02 0.00 0.00 177.57 179.45 3n8k h ALA 85 N 1.11 0.58 -0.70 1.67 0.00 -1.98 0.46 119.26 120.40 3n8k h ALA 85 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 85 Cb 1.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3n8k h ALA 85 CO 0.11 0.03 0.19 1.25 0.00 0.00 0.00 179.25 180.82 3n8k h LEU 86 N 0.62 1.05 -0.70 0.00 5.85 -1.95 -2.03 115.31 118.15 3n8k h LEU 86 Ca 0.17 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3n8k h LEU 86 Cb -0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 3n8k h LEU 86 CO -0.04 1.00 0.45 -0.09 -0.34 0.00 0.00 178.44 179.42 3n8k h ARG 87 N 1.05 0.94 -0.55 1.25 2.43 -1.37 -1.50 114.38 116.64 3n8k h ARG 87 Ca 0.22 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3n8k h ARG 87 Cb 0.35 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3n8k h ARG 87 CO -0.00 0.65 0.14 -0.44 -1.51 0.00 0.00 179.97 178.81 3n8k h ASP 88 N 0.96 0.77 -0.39 -3.80 3.32 -0.69 -1.88 116.42 114.71 3n8k h ASP 88 Ca 0.26 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3n8k h ASP 88 Cb -0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3n8k h ASP 88 CO -0.05 0.76 0.06 0.00 -1.72 0.00 0.00 179.24 178.29 3n8k h ALA 89 N 1.35 0.52 0.00 3.45 0.00 -1.00 -2.95 119.26 120.63 3n8k h ALA 89 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3n8k h ALA 89 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n8k h ALA 89 CO -0.00 0.23 -0.11 0.00 0.00 0.00 0.00 179.25 179.38 3n8k h ALA 91 N 1.89 1.00 0.00 0.00 0.00 -1.16 -2.34 119.26 118.65 3n8k h ALA 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 91 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3n8k h ALA 91 CO 0.01 0.00 -0.12 0.93 0.00 0.00 0.00 179.25 180.07 3n8k h GLU 92 N 0.00 0.00 -6.46 0.00 5.08 -1.58 -3.46 114.58 108.16 3n8k h GLU 92 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3n8k h GLU 92 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3n8k h GLU 92 CO 0.00 0.00 0.86 -0.51 -1.00 0.00 0.00 179.01 178.36 3n8k s LEU 93 N -5.33 4.35 -0.10 1.33 1.43 -0.88 -4.87 118.68 114.62 3n8k s LEU 93 Ca 0.08 2.33 0.11 0.00 -1.03 0.00 0.00 54.13 55.62 3n8k s LEU 93 Cb 0.09 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.50 3n8k s LEU 93 CO 0.65 -0.77 0.46 -1.54 0.23 0.00 0.00 176.35 175.39 3n8k n SER 94 N 4.95 0.90 -4.86 2.29 3.41 -1.26 -4.92 113.62 114.12 3n8k n SER 94 Ca 0.14 0.28 -0.31 0.00 -0.26 0.00 0.00 58.87 58.72 3n8k n SER 94 Cb 0.42 0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3n8k n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n8k s ALA 95 N -2.57 2.89 0.58 7.33 0.00 -1.26 -5.01 121.76 123.72 3n8k s ALA 95 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 3n8k s ALA 95 Cb 0.07 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3n8k s ALA 95 CO 0.81 -1.02 1.34 -2.14 0.00 0.00 0.00 175.76 174.76 3n8k s PRO 96 N -5.22 2.95 -0.19 0.00 0.02 -1.26 -4.80 135.00 126.49 3n8k s PRO 96 Ca 0.57 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.80 3n8k s PRO 96 Cb -0.12 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.30 3n8k s PRO 96 CO 0.53 -1.33 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.53 3n8k s LEU 97 N -3.79 2.30 -0.23 -5.54 2.96 -1.26 -2.12 118.68 111.00 3n8k s LEU 97 Ca 0.75 -0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 3n8k s LEU 97 Cb -0.40 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3n8k s LEU 97 CO 0.46 -0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.81 3n8k s ILE 98 N 1.29 3.67 0.01 6.68 1.01 -0.16 -0.20 121.20 133.49 3n8k s ILE 98 Ca 0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 3n8k s ILE 98 Cb -0.14 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3n8k s ILE 98 CO -0.11 0.40 0.83 -0.70 0.00 0.00 0.00 174.94 175.35 3n8k s GLU 99 N 1.52 4.52 -0.03 2.79 2.12 -0.12 -0.65 118.70 128.85 3n8k s GLU 99 Ca 0.06 1.16 0.04 0.00 0.36 0.00 0.00 54.97 56.58 3n8k s GLU 99 Cb -0.14 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 3n8k s GLU 99 CO -0.01 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.78 3n8k s VAL 100 N 0.48 1.12 -0.03 3.70 1.01 -0.49 -0.24 120.40 125.95 3n8k s VAL 100 Ca 0.43 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3n8k s VAL 100 Cb -0.20 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3n8k s VAL 100 CO 0.24 0.33 -0.11 -1.00 0.00 0.00 0.00 175.10 174.56 3n8k s HIS 101 N 0.05 1.16 0.03 5.22 3.76 0.15 -4.04 115.29 121.62 3n8k s HIS 101 Ca -0.02 -0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 54.33 3n8k s HIS 101 Cb -0.09 -0.83 -0.17 0.00 1.11 0.00 0.00 32.58 32.60 3n8k s HIS 101 CO 0.01 -0.14 1.44 0.82 -0.85 0.00 0.00 174.74 176.02 3n8k h ILE 102 N 5.47 1.26 -3.55 0.60 2.04 -1.87 -1.93 117.51 119.53 3n8k h ILE 102 Ca -0.33 -0.78 -0.49 0.00 1.00 0.00 0.00 64.86 64.25 3n8k h ILE 102 Cb 1.17 1.71 0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3n8k h ILE 102 CO 0.48 0.21 0.09 -0.94 0.00 0.00 0.00 178.15 177.99 3n8k s SER 103 N -5.59 6.33 -0.87 1.72 1.04 -1.26 -2.03 113.70 113.03 3n8k s SER 103 Ca -0.15 0.94 -0.25 0.00 0.48 0.00 0.00 55.95 56.98 3n8k s SER 103 Cb 0.04 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.92 3n8k s SER 103 CO 0.68 -0.51 1.61 0.21 0.98 0.00 0.00 173.24 176.21 3n8k s ASN 104 N -3.85 5.89 0.58 7.02 3.84 -1.26 -2.47 114.94 124.68 3n8k s ASN 104 Ca 0.48 -0.79 0.28 0.00 0.21 0.00 0.00 52.86 53.03 3n8k s ASN 104 Cb -0.10 -2.56 1.60 0.00 -0.55 0.00 0.00 41.25 39.64 3n8k s ASN 104 CO 0.41 -2.04 2.08 0.58 -2.79 0.00 0.00 177.10 175.35 3n8k h VAL 105 N 6.79 0.52 0.00 -5.21 2.07 -1.92 -1.26 116.25 117.24 3n8k h VAL 105 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3n8k h VAL 105 Cb 1.04 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3n8k h VAL 105 CO 1.31 0.00 -0.18 1.41 0.02 0.00 0.00 177.57 180.13 3n8k n HIS 106 N -3.90 0.11 -0.24 1.57 8.25 -1.26 -3.42 115.22 116.33 3n8k n HIS 106 Ca 0.02 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 3n8k n HIS 106 Cb 0.35 -0.47 0.31 0.00 1.12 0.00 0.00 29.99 31.30 3n8k n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n8k n ALA 107 N -1.54 2.51 -2.84 -1.41 0.00 -0.48 -4.94 120.51 111.82 3n8k n ALA 107 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3n8k n ALA 107 Cb 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3n8k n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n8k n ARG 108 N 1.44 3.10 -2.42 0.00 1.74 -1.22 -5.09 116.66 114.20 3n8k n ARG 108 Ca 0.23 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.95 3n8k n ARG 108 Cb 0.63 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 3n8k n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n8k s GLU 109 N 4.75 3.83 0.35 5.56 8.01 -1.26 -4.95 118.70 134.98 3n8k s GLU 109 Ca 0.00 1.57 0.08 0.00 0.01 0.00 0.00 54.97 56.63 3n8k s GLU 109 Cb 0.00 -2.30 0.79 0.00 -4.31 0.00 0.00 34.13 28.31 3n8k s GLU 109 CO 0.00 -0.45 1.87 0.93 0.01 0.00 0.00 175.26 177.63 3n8k h GLU 110 N 1.92 0.70 0.00 1.61 4.39 -1.95 -2.07 114.58 119.18 3n8k h GLU 110 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3n8k h GLU 110 Cb 1.23 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3n8k h GLU 110 CO 0.60 0.46 0.00 1.97 -1.16 0.00 0.00 179.01 180.88 3n8k n PHE 111 N -4.56 0.00 1.21 4.33 1.16 -1.26 -1.73 117.46 116.61 3n8k n PHE 111 Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.88 3n8k n PHE 111 Cb 0.44 -0.45 0.32 0.00 -1.61 0.00 0.00 39.48 38.19 3n8k n PHE 111 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3n8k n ARG 112 N -1.45 0.92 -0.25 3.97 1.74 -0.78 -4.27 116.66 116.55 3n8k n ARG 112 Ca 0.03 -0.59 0.10 0.00 -0.77 0.00 0.00 57.85 56.63 3n8k n ARG 112 Cb 0.11 -1.49 0.26 0.00 -1.02 0.00 0.00 32.46 30.33 3n8k n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n8k n ARG 113 N -0.53 2.30 -2.50 5.56 1.74 -0.71 -4.47 116.66 118.05 3n8k n ARG 113 Ca 0.12 -2.00 -0.19 0.00 -0.77 0.00 0.00 57.85 55.00 3n8k n ARG 113 Cb 0.37 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 3n8k n ARG 113 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3n8k n HIS 114 N 1.15 2.52 -1.55 -1.55 8.25 -1.26 -5.07 115.22 117.70 3n8k n HIS 114 Ca 0.19 -2.84 -0.50 0.00 -0.26 0.00 0.00 57.72 54.31 3n8k n HIS 114 Cb 0.49 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 3n8k n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3n8k n SER 115 N -0.40 0.86 0.21 0.41 2.88 -1.26 -4.87 113.62 111.45 3n8k n SER 115 Ca 0.29 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 59.06 3n8k n SER 115 Cb 0.76 -1.15 0.27 0.00 -0.75 0.00 0.00 64.21 63.34 3n8k n SER 115 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3n8k h TYR 116 N 3.04 0.00 0.00 0.66 0.05 -1.61 -3.34 116.97 115.77 3n8k h TYR 116 Ca -0.43 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.11 3n8k h TYR 116 Cb 1.37 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.06 3n8k h TYR 116 CO 0.53 0.19 -1.47 -0.07 -1.05 0.00 0.00 178.16 176.29 3n8k h LEU 117 N 0.00 0.00 -0.55 3.88 3.38 -1.90 -3.39 115.31 116.72 3n8k h LEU 117 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3n8k h LEU 117 Cb 0.98 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 3n8k h LEU 117 CO 0.03 0.90 0.19 0.28 0.09 0.00 0.00 178.44 179.93 3n8k h SER 118 N 0.00 0.17 0.31 -0.43 0.02 -1.93 -1.91 113.55 109.78 3n8k h SER 118 Ca -0.20 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3n8k h SER 118 Cb 1.87 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.47 3n8k h SER 118 CO 0.08 0.11 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.16 3n8k h PRO 119 N 0.36 0.00 -0.02 3.45 0.11 -1.79 -2.89 132.00 131.22 3n8k h PRO 119 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3n8k h PRO 119 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3n8k h PRO 119 CO -0.29 0.07 -0.04 0.44 -0.21 0.00 0.00 178.00 177.96 3n8k n ILE 120 N -3.55 0.00 -2.67 4.15 -6.64 -0.97 -4.99 119.36 104.71 3n8k n ILE 120 Ca -0.02 -0.48 -0.31 0.00 -1.77 0.00 0.00 62.75 60.17 3n8k n ILE 120 Cb 0.19 1.31 -0.03 0.00 -1.44 0.00 0.00 39.64 39.67 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n8k s ALA 121 N -1.40 3.25 0.10 -1.28 0.00 -0.76 -4.91 121.76 116.77 3n8k s ALA 121 Ca 0.18 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 3n8k s ALA 121 Cb 0.13 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 3n8k s ALA 121 CO 0.23 -0.11 1.57 1.15 0.00 0.00 0.00 175.76 178.59 3n8k h THR 122 N 0.97 1.24 -3.20 0.00 2.02 -0.90 -3.48 112.91 109.56 3n8k h THR 122 Ca -0.47 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 65.90 3n8k h THR 122 Cb 1.19 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.72 3n8k h THR 122 CO 0.63 0.27 0.11 -0.83 0.37 0.00 0.00 175.52 176.06 3n8k s GLY 123 N -3.08 -0.06 -0.04 2.16 0.00 -1.18 -5.05 107.32 100.08 3n8k s GLY 123 Ca -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.33 3n8k s GLY 123 CO 0.75 -0.20 -0.10 0.14 0.00 0.00 0.00 173.10 173.69 3n8k s VAL 124 N -3.90 0.88 -0.15 1.40 1.01 -1.26 -0.95 120.40 117.44 3n8k s VAL 124 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3n8k s VAL 124 Cb -0.03 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3n8k s VAL 124 CO 0.02 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 3n8k s ILE 125 N 0.48 1.91 -0.02 2.22 1.01 0.67 -4.97 121.20 122.49 3n8k s ILE 125 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3n8k s ILE 125 Cb -0.12 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3n8k s ILE 125 CO 0.02 0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 3n8k s VAL 126 N 1.06 0.59 0.00 2.92 1.01 -1.26 -0.68 120.40 124.05 3n8k s VAL 126 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3n8k s VAL 126 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3n8k s VAL 126 CO -0.06 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n8k n GLY 127 N 3.39 0.61 1.44 4.51 0.00 -0.73 -4.80 105.19 109.61 3n8k n GLY 127 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N 0.00 4.21 0.00 0.99 4.77 -1.24 -4.62 117.00 121.11 3n8k n LEU 128 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 3n8k n LEU 128 Cb 0.03 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3n8k n LEU 128 CO 0.00 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3n8k n GLY 129 N 0.59 1.83 0.22 -0.72 0.00 -0.86 -3.19 105.19 103.06 3n8k n GLY 129 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.68 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 1.23 0.00 -0.61 6.09 -1.91 -2.79 117.51 119.52 3n8k h ILE 130 Ca 0.00 -1.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.43 3n8k h ILE 130 Cb 0.00 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.72 3n8k h ILE 130 CO 0.00 0.32 0.00 -0.61 -3.07 0.00 0.00 178.15 174.79 3n8k h GLN 131 N 0.17 0.00 -0.98 2.19 4.15 -1.97 -2.75 115.11 115.92 3n8k h GLN 131 Ca 0.03 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.58 3n8k h GLN 131 Cb 0.54 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.14 3n8k h GLN 131 CO 0.04 0.00 0.60 0.78 -1.93 0.00 0.00 178.83 178.32 3n8k h GLY 132 N 1.66 1.62 0.97 2.39 0.00 -1.50 0.13 103.07 108.33 3n8k h GLY 132 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3n8k h GLY 132 CO 0.00 0.11 0.17 -0.97 0.00 0.00 0.00 176.54 175.85 3n8k h TYR 133 N 0.92 0.77 -0.32 5.60 -1.99 -1.70 -1.98 116.97 118.27 3n8k h TYR 133 Ca 0.50 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 61.03 3n8k h TYR 133 Cb 0.55 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 3n8k h TYR 133 CO -0.02 0.67 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.41 3n8k h LEU 134 N 0.65 0.73 -0.64 3.88 3.38 -1.41 -1.80 115.31 120.12 3n8k h LEU 134 Ca 0.16 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3n8k h LEU 134 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3n8k h LEU 134 CO -0.01 1.01 -0.26 -0.07 0.09 0.00 0.00 178.44 179.20 3n8k h LEU 135 N 0.59 0.81 -0.88 1.67 3.38 -0.79 -2.43 115.31 117.67 3n8k h LEU 135 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3n8k h LEU 135 Cb 0.85 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3n8k h LEU 135 CO 0.07 1.03 0.52 0.00 0.09 0.00 0.00 178.44 180.16 3n8k h ALA 136 N 1.03 1.13 -0.63 1.53 0.00 -1.10 -2.26 119.26 118.94 3n8k h ALA 136 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3n8k h ALA 136 Cb 0.78 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3n8k h ALA 136 CO 0.06 0.60 0.41 -0.07 0.00 0.00 0.00 179.25 180.26 3n8k h LEU 137 N 1.22 0.71 -1.04 0.00 3.38 -1.13 -2.90 115.31 115.55 3n8k h LEU 137 Ca 0.32 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3n8k h LEU 137 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3n8k h LEU 137 CO -0.06 0.51 -0.06 -0.09 0.09 0.00 0.00 178.44 178.83 3n8k h ARG 138 N 0.84 0.62 -0.14 1.13 2.43 -1.06 -1.53 114.38 116.67 3n8k h ARG 138 Ca 0.24 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3n8k h ARG 138 Cb -0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3n8k h ARG 138 CO -0.06 0.68 0.04 -0.92 -1.51 0.00 0.00 179.97 178.21 3n8k h TYR 139 N 0.58 0.08 -0.25 2.20 3.20 -1.28 -1.96 116.97 119.54 3n8k h TYR 139 Ca 0.11 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3n8k h TYR 139 Cb 0.46 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3n8k h TYR 139 CO 0.02 0.04 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.34 3n8k h LEU 140 N 0.11 0.43 -0.63 2.82 3.38 -1.26 -1.40 115.31 118.77 3n8k h LEU 140 Ca 0.06 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3n8k h LEU 140 Cb 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3n8k h LEU 140 CO -0.06 0.63 -0.47 0.00 0.09 0.00 0.00 178.44 178.63 3n8k h ALA 141 N 1.42 0.81 0.00 1.53 0.00 -1.20 -3.09 119.26 118.72 3n8k h ALA 141 Ca 0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3n8k h ALA 141 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3n8k h ALA 141 CO 0.04 0.66 -0.62 1.49 0.00 0.00 0.00 179.25 180.82 3n8k h GLU 142 N 0.42 0.00 -0.88 0.00 4.57 -1.01 -3.18 114.58 114.51 3n8k h GLU 142 Ca 0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.90 3n8k h GLU 142 Cb 0.98 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.39 3n8k h GLU 142 CO 0.09 0.62 0.39 0.72 -1.18 0.00 0.00 179.01 179.65 3n8k n HIS 143 N -3.51 2.42 -0.34 0.92 8.25 -0.56 -5.10 115.22 117.30 3n8k n HIS 143 Ca -0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.12 3n8k n HIS 143 Cb 0.69 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3n8k n HIS 143 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53