#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 5.24 -0.13 -0.08 1.01 -1.26 -1.47 121.20 124.51 3n8k s ILE 4 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.39 3n8k s ILE 4 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 3n8k s ILE 4 CO 0.00 0.38 -0.17 -0.69 0.00 0.00 0.00 174.94 174.46 3n8k s VAL 5 N 0.39 2.62 -0.23 2.92 1.01 -0.24 -4.11 120.40 122.76 3n8k s VAL 5 Ca 0.21 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3n8k s VAL 5 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3n8k s VAL 5 CO 0.07 0.53 0.51 0.20 0.00 0.00 0.00 175.10 176.41 3n8k s ASN 6 N 0.56 6.49 -0.30 3.32 0.01 -0.46 -0.84 114.94 123.73 3n8k s ASN 6 Ca -0.10 0.59 -0.07 0.00 -0.71 0.00 0.00 52.86 52.56 3n8k s ASN 6 Cb -0.16 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3n8k s ASN 6 CO 0.04 -0.24 0.09 -0.69 -1.51 0.00 0.00 177.10 174.80 3n8k s VAL 7 N 2.00 4.11 -0.17 1.60 1.01 0.13 0.04 120.40 129.12 3n8k s VAL 7 Ca 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3n8k s VAL 7 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3n8k s VAL 7 CO 0.09 0.09 -0.17 -0.63 0.00 0.00 0.00 175.10 174.49 3n8k s ILE 8 N 1.53 2.42 -0.12 2.22 1.01 0.20 -1.26 121.20 127.20 3n8k s ILE 8 Ca 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 3n8k s ILE 8 Cb -0.17 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3n8k s ILE 8 CO 0.03 0.52 -0.02 0.20 0.00 0.00 0.00 174.94 175.67 3n8k s ASN 9 N 1.10 4.98 0.07 3.58 0.01 0.31 -1.45 114.94 123.54 3n8k s ASN 9 Ca 0.00 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3n8k s ASN 9 Cb -0.14 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 39.90 3n8k s ASN 9 CO -0.06 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 3n8k n GLY 10 N 2.91 0.52 3.62 0.66 0.00 0.15 -1.80 105.19 111.25 3n8k n GLY 10 Ca -0.18 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.13 1.54 -0.59 1.61 -0.02 -1.13 -2.90 135.00 133.36 3n8k n PRO 11 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3n8k n PRO 11 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.15 0.00 0.13 2.55 3.02 -1.26 -4.43 115.26 116.42 3n8k n ASN 12 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 3n8k n ASN 12 Cb 0.33 -0.92 0.27 0.00 -0.61 0.00 0.00 39.78 38.85 3n8k n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n8k h LEU 13 N 0.00 0.00 -0.52 3.41 3.38 -1.90 -2.68 115.31 117.00 3n8k h LEU 13 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n8k h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n8k h LEU 13 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3n8k n GLY 14 N 1.25 -1.16 0.73 0.83 0.00 -1.26 -2.93 105.19 102.65 3n8k n GLY 14 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3n8k n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8k n ARG 15 N -2.01 1.98 -1.64 1.61 5.12 -1.01 -4.68 116.66 116.04 3n8k n ARG 15 Ca 0.02 -1.45 -0.47 0.00 -1.93 0.00 0.00 57.85 54.02 3n8k n ARG 15 Cb 0.20 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 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 0.71 2.56 0.00 0.55 4.77 -1.15 -2.03 117.00 122.41 3n8k n LEU 16 Ca 0.17 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 3n8k n LEU 16 Cb 0.44 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3n8k n LEU 16 CO 0.15 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 3n8k n GLY 17 N 2.29 2.80 0.09 -0.72 0.00 -1.15 -3.68 105.19 104.82 3n8k n GLY 17 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.12 -6.26 1.61 3.08 -1.85 -3.44 114.38 107.63 3n8k h ARG 18 Ca 0.00 -0.20 -0.56 0.00 0.07 0.00 0.00 59.98 59.28 3n8k h ARG 18 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3n8k h ARG 18 CO 0.00 0.94 1.12 0.50 -1.07 0.00 0.00 179.97 181.45 3n8k s ARG 19 N -2.64 3.89 -0.18 0.04 3.00 -0.86 -4.30 118.95 117.90 3n8k s ARG 19 Ca -0.05 1.79 -0.01 0.00 -1.00 0.00 0.00 55.73 56.45 3n8k s ARG 19 Cb 0.08 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 31.01 3n8k s ARG 19 CO 0.84 -1.18 0.14 0.39 0.00 0.00 0.00 175.30 175.48 3n8k n GLU 20 N 7.51 -0.37 -0.21 5.12 1.02 -1.26 -4.48 120.64 127.97 3n8k n GLU 20 Ca 0.18 0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 3n8k n GLU 20 Cb 0.45 -0.50 0.43 0.00 -0.02 0.00 0.00 31.44 31.79 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3n8k h PRO 21 N 0.67 0.56 0.00 3.49 0.11 -1.77 0.14 132.00 135.20 3n8k h PRO 21 Ca -0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 3n8k h PRO 21 Cb 0.33 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3n8k h PRO 21 CO 0.08 0.37 -0.06 0.00 -0.21 0.00 0.00 178.00 178.19 3n8k h ALA 22 N 1.62 1.10 0.01 -0.75 0.00 -1.86 0.16 119.26 119.54 3n8k h ALA 22 Ca 0.39 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 3n8k h ALA 22 Cb 0.70 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3n8k h ALA 22 CO -0.15 0.07 -2.02 0.28 0.00 0.00 0.00 179.25 177.43 3n8k n VAL 23 N -3.29 1.56 0.50 0.00 0.31 0.35 -4.73 118.33 113.02 3n8k n VAL 23 Ca -0.01 -0.31 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 3n8k n VAL 23 Cb 0.23 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.31 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 -4.12 0.00 -0.57 3.52 4.01 -0.46 -4.45 117.16 115.08 3n8k n TYR 24 Ca -0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 3n8k n TYR 24 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n8k n GLY 25 N 0.84 -2.93 0.55 2.72 0.00 0.04 -4.75 105.19 101.66 3n8k n GLY 25 Ca 0.05 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.35 0.18 3.74 -0.02 0.00 -1.26 -4.28 105.19 103.20 3n8k n GLY 26 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.08 3.75 0.71 2.61 2.01 -1.26 -4.55 115.64 117.82 3n8k s THR 27 Ca 0.17 1.47 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 3n8k s THR 27 Cb 0.11 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.72 3n8k s THR 27 CO 0.17 0.24 1.06 0.42 -0.69 0.00 0.00 174.62 175.82 3n8k s THR 28 N -0.08 2.89 0.18 -0.82 -4.23 -1.26 -2.95 115.64 109.37 3n8k s THR 28 Ca 0.51 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 3n8k s THR 28 Cb -0.31 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3n8k s THR 28 CO 0.35 -0.31 1.52 -0.74 -0.54 0.00 0.00 174.62 174.91 3n8k h HIS 29 N -0.65 0.84 -0.39 3.99 2.76 -1.82 -0.58 115.15 119.30 3n8k h HIS 29 Ca -0.45 -0.26 0.04 0.00 -2.20 0.00 0.00 60.37 57.49 3n8k h HIS 29 Cb 1.29 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 30.04 3n8k h HIS 29 CO 0.41 1.01 0.17 -0.44 -1.30 0.00 0.00 177.93 177.78 3n8k h ASP 30 N 0.55 0.22 -0.57 3.26 3.32 -1.92 0.08 116.42 121.35 3n8k h ASP 30 Ca 0.03 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3n8k h ASP 30 Cb 1.00 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3n8k h ASP 30 CO 0.09 0.16 0.04 -0.33 -1.72 0.00 0.00 179.24 177.49 3n8k h GLU 31 N 0.34 1.01 0.05 3.56 3.07 -1.93 -2.66 114.58 118.03 3n8k h GLU 31 Ca 0.17 -0.29 0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3n8k h GLU 31 Cb 0.12 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3n8k h GLU 31 CO -0.15 0.97 -0.08 1.25 -1.40 0.00 0.00 179.01 179.59 3n8k h LEU 32 N 0.94 -0.23 -0.31 1.33 5.85 -0.69 -0.73 115.31 121.47 3n8k h LEU 32 Ca 0.18 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3n8k h LEU 32 Cb 0.48 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 3n8k h LEU 32 CO 0.02 -0.13 -0.25 0.58 -0.34 0.00 0.00 178.44 178.32 3n8k h VAL 33 N -0.17 0.36 -0.63 1.05 2.07 -0.91 -0.82 116.25 117.20 3n8k h VAL 33 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3n8k h VAL 33 Cb 0.19 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3n8k h VAL 33 CO -0.05 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.78 3n8k h ALA 34 N 0.86 1.24 -0.50 1.67 0.00 -1.33 -1.20 119.26 120.01 3n8k h ALA 34 Ca 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3n8k h ALA 34 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3n8k h ALA 34 CO -0.44 0.55 -0.18 1.25 0.00 0.00 0.00 179.25 180.44 3n8k h LEU 35 N 0.91 1.00 -0.24 0.00 6.46 -0.62 -1.85 115.31 120.96 3n8k h LEU 35 Ca 0.21 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3n8k h LEU 35 Cb 0.19 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3n8k h LEU 35 CO -0.02 1.15 -0.02 0.40 -0.62 0.00 0.00 178.44 179.33 3n8k h ILE 36 N 0.86 1.26 -0.79 4.05 2.04 -0.90 -2.47 117.51 121.57 3n8k h ILE 36 Ca 0.12 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3n8k h ILE 36 Cb 0.74 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3n8k h ILE 36 CO 0.06 0.30 0.48 -0.33 0.00 0.00 0.00 178.15 178.66 3n8k h GLU 37 N 0.20 1.07 -0.32 2.37 5.08 -1.16 -0.45 114.58 121.38 3n8k h GLU 37 Ca 0.07 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3n8k h GLU 37 Cb 0.44 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3n8k h GLU 37 CO 0.02 0.75 -0.06 0.00 -1.00 0.00 0.00 179.01 178.71 3n8k h ARG 38 N 1.08 0.60 -0.42 2.33 3.08 -1.35 -1.79 114.38 117.92 3n8k h ARG 38 Ca 0.28 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3n8k h ARG 38 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3n8k h ARG 38 CO -0.05 0.78 0.15 1.49 -1.07 0.00 0.00 179.97 181.27 3n8k h GLU 39 N 0.38 0.63 -0.41 0.04 4.57 -1.26 -1.85 114.58 116.69 3n8k h GLU 39 Ca 0.08 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3n8k h GLU 39 Cb 0.55 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3n8k h GLU 39 CO 0.03 0.60 0.23 0.00 -1.18 0.00 0.00 179.01 178.69 3n8k h ALA 40 N 1.00 0.52 -0.92 2.92 0.00 -1.06 -2.03 119.26 119.69 3n8k h ALA 40 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3n8k h ALA 40 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3n8k h ALA 40 CO -0.01 -0.11 0.57 0.00 0.00 0.00 0.00 179.25 179.70 3n8k h ALA 41 N 1.20 1.18 -0.40 0.00 0.00 -1.13 0.29 119.26 120.39 3n8k h ALA 41 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3n8k h ALA 41 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3n8k h ALA 41 CO -0.09 0.62 0.06 0.93 0.00 0.00 0.00 179.25 180.78 3n8k h GLU 42 N 1.27 0.61 -0.00 0.00 5.08 -1.03 -2.31 114.58 118.20 3n8k h GLU 42 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3n8k h GLU 42 Cb -0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3n8k h GLU 42 CO -0.06 0.59 -0.02 1.28 -1.00 0.00 0.00 179.01 179.80 3n8k n LEU 43 N -4.30 0.24 0.00 1.33 4.77 -0.79 -4.90 117.00 113.36 3n8k n LEU 43 Ca 0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3n8k n LEU 43 Cb 0.22 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3n8k n LEU 43 CO 0.39 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3n8k n GLY 44 N 1.12 0.67 3.63 -0.72 0.00 -0.87 -4.94 105.19 104.08 3n8k n GLY 44 Ca 0.20 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 2.85 -0.15 0.99 1.43 0.98 -4.76 118.68 120.02 3n8k s LEU 45 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 3n8k s LEU 45 Cb 0.00 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.36 3n8k s LEU 45 CO 0.00 -0.47 -0.12 -0.75 0.23 0.00 0.00 176.35 175.24 3n8k s LYS 46 N -3.72 2.10 -0.17 1.70 2.20 -0.54 -2.76 119.74 118.57 3n8k s LYS 46 Ca 0.34 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 3n8k s LYS 46 Cb 0.10 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3n8k s LYS 46 CO 0.17 -0.28 0.40 0.00 -0.36 0.00 0.00 175.35 175.29 3n8k s ALA 47 N 1.51 3.54 -0.37 3.13 0.00 -1.26 -1.07 121.76 127.24 3n8k s ALA 47 Ca 0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 3n8k s ALA 47 Cb -0.13 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3n8k s ALA 47 CO -0.10 -0.11 0.22 0.08 0.00 0.00 0.00 175.76 175.85 3n8k s VAL 48 N 0.90 4.81 -0.19 0.00 1.01 -0.02 -4.85 120.40 122.06 3n8k s VAL 48 Ca 0.21 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3n8k s VAL 48 Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3n8k s VAL 48 CO 0.08 -0.17 -0.04 -0.69 0.00 0.00 0.00 175.10 174.28 3n8k s VAL 49 N 1.61 3.59 0.01 2.92 1.01 -1.26 -0.69 120.40 127.59 3n8k s VAL 49 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3n8k s VAL 49 Cb -0.19 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3n8k s VAL 49 CO 0.08 0.45 -0.01 -0.13 0.00 0.00 0.00 175.10 175.49 3n8k s ARG 50 N 1.02 0.17 -0.02 2.72 0.52 -0.39 -5.00 118.95 117.97 3n8k s ARG 50 Ca 0.01 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3n8k s ARG 50 Cb -0.15 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 3n8k s ARG 50 CO 0.01 -0.03 -0.11 -1.14 0.02 0.00 0.00 175.30 174.05 3n8k s GLN 51 N -0.77 1.06 -0.06 3.54 -0.44 -1.26 -0.53 119.66 121.20 3n8k s GLN 51 Ca -0.08 -0.37 -0.11 0.00 -2.50 0.00 0.00 55.36 52.30 3n8k s GLN 51 Cb -0.05 -0.98 0.02 0.00 -1.64 0.00 0.00 33.01 30.35 3n8k s GLN 51 CO -0.00 0.17 0.26 0.45 0.50 0.00 0.00 175.29 176.66 3n8k s SER 52 N 0.05 -0.20 0.00 6.67 0.15 -0.74 -4.98 113.70 114.64 3n8k s SER 52 Ca -0.01 0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.19 3n8k s SER 52 Cb -0.08 0.43 0.83 0.00 -1.71 0.00 0.00 66.02 65.49 3n8k s SER 52 CO 0.00 -0.24 1.63 0.47 1.20 0.00 0.00 173.24 176.30 3n8k n ASP 53 N 2.20 0.46 -4.61 5.45 9.92 -1.26 -2.83 116.55 125.87 3n8k n ASP 53 Ca -0.17 -0.24 -0.39 0.00 -0.53 0.00 0.00 54.79 53.45 3n8k n ASP 53 Cb 0.57 0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.98 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3n8k s SER 54 N -2.83 6.31 0.20 -2.24 0.15 -1.26 -4.68 113.70 109.35 3n8k s SER 54 Ca 0.17 0.36 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 3n8k s SER 54 Cb 0.19 -2.23 0.18 0.00 -1.71 0.00 0.00 66.02 62.45 3n8k s SER 54 CO 0.60 -0.19 1.83 -0.08 1.20 0.00 0.00 173.24 176.59 3n8k h GLU 55 N 8.05 0.73 -0.97 5.44 4.81 -2.00 -2.15 114.58 128.49 3n8k h GLU 55 Ca -0.31 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 3n8k h GLU 55 Cb 1.16 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 3n8k h GLU 55 CO 0.67 0.48 0.63 0.00 -0.73 0.00 0.00 179.01 180.06 3n8k h ALA 56 N 1.29 1.32 -0.35 2.92 0.00 -1.99 -0.37 119.26 122.09 3n8k h ALA 56 Ca 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3n8k h ALA 56 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3n8k h ALA 56 CO -0.12 0.46 -0.00 0.37 0.00 0.00 0.00 179.25 179.96 3n8k h GLN 57 N 1.18 0.61 -0.94 0.00 5.75 -1.87 -1.83 115.11 118.01 3n8k h GLN 57 Ca 0.40 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3n8k h GLN 57 Cb 0.09 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3n8k h GLN 57 CO -0.15 0.73 0.60 -0.07 -2.65 0.00 0.00 178.83 177.29 3n8k h LEU 58 N 0.42 1.11 -0.73 -2.39 3.38 -0.99 -2.18 115.31 113.92 3n8k h LEU 58 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3n8k h LEU 58 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3n8k h LEU 58 CO 0.02 0.83 0.40 -0.07 0.09 0.00 0.00 178.44 179.71 3n8k h LEU 59 N 1.29 0.91 -0.52 1.67 3.38 -0.90 -1.95 115.31 119.18 3n8k h LEU 59 Ca 0.34 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3n8k h LEU 59 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3n8k h LEU 59 CO -0.07 0.75 0.23 -0.78 0.09 0.00 0.00 178.44 178.66 3n8k h ASP 60 N 1.01 0.70 -0.47 -0.43 3.58 -0.96 -0.83 116.42 119.02 3n8k h ASP 60 Ca 0.26 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3n8k h ASP 60 Cb 0.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3n8k h ASP 60 CO -0.04 0.66 0.16 -0.50 -2.88 0.00 0.00 179.24 176.64 3n8k h TRP 61 N 0.70 0.79 -0.30 0.28 6.55 -1.20 -1.93 115.95 120.84 3n8k h TRP 61 Ca 0.18 -0.06 -0.13 0.00 0.95 0.00 0.00 58.89 59.83 3n8k h TRP 61 Cb 0.16 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.22 3n8k h TRP 61 CO 0.00 0.65 -0.30 0.82 -1.05 0.00 0.00 178.44 178.55 3n8k h ILE 62 N 0.76 1.30 -0.43 1.49 2.04 -1.07 -2.20 117.51 119.40 3n8k h ILE 62 Ca 0.18 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.62 3n8k h ILE 62 Cb 0.23 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3n8k h ILE 62 CO -0.01 0.47 0.12 0.45 0.00 0.00 0.00 178.15 179.19 3n8k h HIS 63 N 0.48 0.21 -0.66 1.37 3.86 -0.91 0.35 115.15 119.85 3n8k h HIS 63 Ca 0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3n8k h HIS 63 Cb 0.88 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 3n8k h HIS 63 CO 0.07 0.06 0.39 1.96 0.86 0.00 0.00 177.93 181.27 3n8k h GLN 64 N 0.27 0.91 -0.68 2.45 4.20 -1.33 -0.44 115.11 120.49 3n8k h GLN 64 Ca 0.20 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3n8k h GLN 64 Cb 0.22 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3n8k h GLN 64 CO -0.24 0.65 0.27 0.00 -0.67 0.00 0.00 178.83 178.84 3n8k h ALA 65 N 1.20 1.20 -0.39 3.87 0.00 -0.94 -0.81 119.26 123.39 3n8k h ALA 65 Ca 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3n8k h ALA 65 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3n8k h ALA 65 CO -0.04 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.85 3n8k h ALA 66 N 1.31 0.51 0.00 0.00 0.00 -0.37 0.92 119.26 121.64 3n8k h ALA 66 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3n8k h ALA 66 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3n8k h ALA 66 CO -0.02 0.22 -0.25 -0.44 0.00 0.00 0.00 179.25 178.76 3n8k h ASP 67 N 0.49 0.00 0.10 0.00 3.32 -0.82 -2.77 116.42 116.75 3n8k h ASP 67 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3n8k h ASP 67 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3n8k h ASP 67 CO 0.01 0.25 -0.47 0.00 -1.72 0.00 0.00 179.24 177.31 3n8k n ALA 68 N -2.48 3.55 -3.87 3.45 0.00 -0.33 -4.98 120.51 115.84 3n8k n ALA 68 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 3n8k n ALA 68 Cb 0.31 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.50 -1.88 -2.80 0.00 0.00 0.24 -5.00 120.51 110.57 3n8k n ALA 69 Ca 0.09 -0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3n8k n ALA 69 Cb 0.40 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 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 -6.37 3.17 0.58 0.00 2.02 -0.71 -4.66 118.70 112.74 3n8k s GLU 70 Ca 0.13 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.55 3n8k s GLU 70 Cb -0.07 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 3n8k s GLU 70 CO 0.86 0.69 1.31 -2.14 0.02 0.00 0.00 175.26 175.99 3n8k s PRO 71 N -1.42 2.95 -0.12 0.39 0.02 -1.26 -4.72 135.00 130.85 3n8k s PRO 71 Ca 0.20 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3n8k s PRO 71 Cb -0.12 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.33 3n8k s PRO 71 CO 0.10 -1.30 -0.19 0.08 -0.33 0.00 0.00 177.00 175.36 3n8k s VAL 72 N -1.39 1.80 -0.34 3.83 1.01 -0.68 -1.35 120.40 123.28 3n8k s VAL 72 Ca 0.76 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 3n8k s VAL 72 Cb -0.37 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3n8k s VAL 72 CO 0.42 0.50 0.22 -0.63 0.00 0.00 0.00 175.10 175.61 3n8k s ILE 73 N 0.84 5.03 -0.14 2.22 1.01 0.11 -0.68 121.20 129.59 3n8k s ILE 73 Ca -0.08 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3n8k s ILE 73 Cb -0.15 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3n8k s ILE 73 CO -0.01 -0.03 -0.19 -0.22 0.00 0.00 0.00 174.94 174.50 3n8k s LEU 74 N 1.67 1.94 -0.45 2.97 2.96 0.27 -0.63 118.68 127.41 3n8k s LEU 74 Ca 0.05 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3n8k s LEU 74 Cb -0.18 -1.31 0.12 0.00 0.50 0.00 0.00 46.19 45.32 3n8k s LEU 74 CO 0.09 0.03 0.23 0.21 -1.32 0.00 0.00 176.35 175.59 3n8k s ASN 75 N 1.04 5.05 0.00 3.68 3.84 -0.53 -1.00 114.94 127.03 3n8k s ASN 75 Ca -0.03 -2.34 0.27 0.00 0.21 0.00 0.00 52.86 50.97 3n8k s ASN 75 Cb -0.15 -1.77 1.42 0.00 -0.55 0.00 0.00 41.25 40.20 3n8k s ASN 75 CO -0.05 -0.44 1.92 0.00 -2.79 0.00 0.00 177.10 175.75 3n8k n ALA 76 N 4.12 2.38 -0.83 1.71 0.00 -1.26 0.33 120.51 126.96 3n8k n ALA 76 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3n8k n ALA 76 Cb 0.40 -1.43 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 0.90 3.20 0.22 0.00 0.00 -1.26 -2.44 105.19 105.80 3n8k n GLY 77 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.07 2.00 -0.02 0.00 -1.94 -2.87 103.07 100.31 3n8k h GLY 78 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3n8k h GLY 78 CO 0.00 0.04 0.00 1.41 0.00 0.00 0.00 176.54 177.99 3n8k h LEU 79 N 0.06 0.00 -0.96 3.11 3.38 -1.86 -2.74 115.31 116.31 3n8k h LEU 79 Ca 0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.19 3n8k h LEU 79 Cb 0.42 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 3n8k h LEU 79 CO 0.03 0.00 0.54 0.74 0.09 0.00 0.00 178.44 179.84 3n8k h THR 80 N 0.00 0.61 -0.01 0.22 2.02 -1.63 -0.59 112.91 113.53 3n8k h THR 80 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3n8k h THR 80 Cb 0.32 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3n8k h THR 80 CO 0.00 0.11 -0.28 1.41 0.37 0.00 0.00 175.52 177.13 3n8k n HIS 81 N -4.87 0.00 0.00 3.16 8.25 -1.03 -1.57 115.22 119.15 3n8k n HIS 81 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3n8k n HIS 81 Cb 0.62 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.09 0.00 -3.25 1.59 -2.24 -0.97 -4.81 114.28 104.51 3n8k n THR 82 Ca 0.12 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.46 3n8k n THR 82 Cb 0.42 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.26 6.20 0.16 3.42 0.15 -0.27 -4.88 113.70 117.22 3n8k s SER 83 Ca 0.00 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 55.62 3n8k s SER 83 Cb 0.00 -2.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 3n8k s SER 83 CO 0.00 -0.77 1.40 0.58 1.20 0.00 0.00 173.24 175.64 3n8k h VAL 84 N 5.81 1.38 -0.87 4.45 2.07 -1.97 -2.94 116.25 124.18 3n8k h VAL 84 Ca -0.28 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.06 3n8k h VAL 84 Cb 1.10 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 3n8k h VAL 84 CO 0.91 0.66 0.57 0.00 0.02 0.00 0.00 177.57 179.74 3n8k h ALA 85 N 0.87 1.41 -0.33 1.67 0.00 -1.99 0.14 119.26 121.03 3n8k h ALA 85 Ca -0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3n8k h ALA 85 Cb 1.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3n8k h ALA 85 CO 0.14 0.54 -0.33 1.25 0.00 0.00 0.00 179.25 180.84 3n8k h LEU 86 N 1.15 0.85 -0.42 0.00 5.85 -1.95 -2.32 115.31 118.47 3n8k h LEU 86 Ca 0.33 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3n8k h LEU 86 Cb -0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3n8k h LEU 86 CO -0.08 1.15 0.21 -0.09 -0.34 0.00 0.00 178.44 179.29 3n8k h ARG 87 N 0.57 0.41 -0.87 1.25 2.43 -1.24 -1.45 114.38 115.49 3n8k h ARG 87 Ca 0.05 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3n8k h ARG 87 Cb 0.91 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.31 3n8k h ARG 87 CO 0.08 0.27 0.54 -0.44 -1.51 0.00 0.00 179.97 178.92 3n8k h ASP 88 N 0.42 0.87 -0.43 -3.80 3.32 -0.67 -1.12 116.42 115.01 3n8k h ASP 88 Ca 0.18 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3n8k h ASP 88 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3n8k h ASP 88 CO -0.13 0.57 0.07 0.00 -1.72 0.00 0.00 179.24 178.03 3n8k h ALA 89 N 1.39 0.57 0.00 3.45 0.00 -1.09 -2.98 119.26 120.61 3n8k h ALA 89 Ca 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3n8k h ALA 89 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3n8k h ALA 89 CO -0.16 0.29 -0.18 0.00 0.00 0.00 0.00 179.25 179.21 3n8k h ALA 91 N 1.82 1.27 0.00 0.00 0.00 -1.05 -1.65 119.26 119.66 3n8k h ALA 91 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3n8k h ALA 91 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3n8k h ALA 91 CO 0.02 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.28 3n8k h GLU 92 N 0.00 0.00 -6.70 0.00 5.08 -1.55 -3.45 114.58 107.96 3n8k h GLU 92 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3n8k h GLU 92 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.49 3n8k h GLU 92 CO 0.01 0.00 0.63 -0.51 -1.00 0.00 0.00 179.01 178.14 3n8k s LEU 93 N -5.08 4.43 -0.10 1.33 1.43 -0.62 -4.85 118.68 115.21 3n8k s LEU 93 Ca 0.06 2.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 3n8k s LEU 93 Cb 0.09 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 3n8k s LEU 93 CO 0.52 -0.50 -0.07 -1.54 0.23 0.00 0.00 176.35 174.99 3n8k n SER 94 N 2.39 3.16 -4.77 2.29 3.41 -1.26 -4.99 113.62 113.85 3n8k n SER 94 Ca 0.05 -0.05 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3n8k n SER 94 Cb 0.43 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.21 2.39 0.30 7.33 0.00 -1.26 -4.94 121.76 123.37 3n8k s ALA 95 Ca -0.12 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 3n8k s ALA 95 Cb 0.03 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 3n8k s ALA 95 CO 0.26 -1.45 1.03 -2.30 0.00 0.00 0.00 175.76 173.29 3n8k n PRO 96 N -2.80 1.41 -4.25 0.00 -0.02 -1.26 -4.72 135.00 123.36 3n8k n PRO 96 Ca 0.10 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3n8k n PRO 96 Cb 0.52 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N 0.27 2.27 -0.20 2.45 2.96 -1.26 -1.69 118.68 123.49 3n8k s LEU 97 Ca 0.59 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3n8k s LEU 97 Cb -0.68 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3n8k s LEU 97 CO 0.60 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.91 3n8k s ILE 98 N 1.16 2.81 -0.10 6.68 1.01 0.15 -0.33 121.20 132.57 3n8k s ILE 98 Ca 0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 3n8k s ILE 98 Cb -0.14 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3n8k s ILE 98 CO -0.08 0.48 0.80 -0.70 0.00 0.00 0.00 174.94 175.44 3n8k s GLU 99 N 1.32 4.39 -0.06 2.79 2.12 -0.52 -0.57 118.70 128.17 3n8k s GLU 99 Ca 0.04 1.02 0.04 0.00 0.36 0.00 0.00 54.97 56.42 3n8k s GLU 99 Cb -0.14 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.75 3n8k s GLU 99 CO -0.06 -0.12 -0.18 0.08 -0.54 0.00 0.00 175.26 174.43 3n8k s VAL 100 N 1.42 1.52 -0.05 3.70 1.01 -0.17 -0.34 120.40 127.50 3n8k s VAL 100 Ca 0.40 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3n8k s VAL 100 Cb -0.18 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3n8k s VAL 100 CO 0.17 0.44 -0.12 -1.00 0.00 0.00 0.00 175.10 174.59 3n8k s HIS 101 N 0.28 1.29 0.03 5.22 3.76 0.14 -4.07 115.29 121.94 3n8k s HIS 101 Ca -0.10 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 3n8k s HIS 101 Cb -0.14 -0.93 -0.17 0.00 1.11 0.00 0.00 32.58 32.44 3n8k s HIS 101 CO 0.04 -0.19 1.48 0.82 -0.85 0.00 0.00 174.74 176.04 3n8k h ILE 102 N 5.64 1.22 -3.63 0.60 2.04 -1.86 -1.31 117.51 120.22 3n8k h ILE 102 Ca -0.33 -0.66 -0.49 0.00 1.00 0.00 0.00 64.86 64.38 3n8k h ILE 102 Cb 1.18 1.64 0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3n8k h ILE 102 CO 0.48 0.17 0.11 -0.94 0.00 0.00 0.00 178.15 177.97 3n8k s SER 103 N -5.50 6.37 -0.82 1.72 1.04 -1.26 -1.83 113.70 113.42 3n8k s SER 103 Ca -0.15 1.01 -0.25 0.00 0.48 0.00 0.00 55.95 57.05 3n8k s SER 103 Cb 0.04 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3n8k s SER 103 CO 0.67 -0.50 1.61 0.21 0.98 0.00 0.00 173.24 176.21 3n8k s ASN 104 N -3.69 5.83 0.19 7.02 3.84 -1.26 -2.51 114.94 124.36 3n8k s ASN 104 Ca 0.49 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 53.14 3n8k s ASN 104 Cb -0.10 -2.56 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 3n8k s ASN 104 CO 0.39 -2.07 1.55 0.55 -2.79 0.00 0.00 177.10 174.73 3n8k n VAL 105 N 7.04 1.10 1.01 -5.21 3.14 -1.26 -1.38 118.33 122.77 3n8k n VAL 105 Ca 0.23 0.43 0.12 0.00 -2.96 0.00 0.00 64.34 62.16 3n8k n VAL 105 Cb 0.50 -1.36 0.26 0.00 -1.06 0.00 0.00 33.84 32.18 3n8k n VAL 105 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3n8k n HIS 106 N -2.01 0.00 -0.36 1.45 8.25 -1.26 -3.89 115.22 117.40 3n8k n HIS 106 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 3n8k n HIS 106 Cb 0.13 -0.25 0.33 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.47 2.61 -2.87 -1.41 0.00 -0.48 -4.94 120.51 111.95 3n8k n ALA 107 Ca 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.15 3n8k n ALA 107 Cb 0.34 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.45 3.36 -2.10 0.00 1.74 -1.25 -5.10 116.66 114.76 3n8k n ARG 108 Ca 0.24 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.97 3n8k n ARG 108 Cb 0.69 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.15 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 4.02 3.14 0.26 5.56 8.01 -1.26 -4.94 118.70 133.48 3n8k s GLU 109 Ca 0.00 1.63 -0.03 0.00 0.01 0.00 0.00 54.97 56.59 3n8k s GLU 109 Cb 0.00 -1.97 0.42 0.00 -4.31 0.00 0.00 34.13 28.27 3n8k s GLU 109 CO 0.00 -1.03 1.84 0.93 0.01 0.00 0.00 175.26 177.01 3n8k h GLU 110 N 0.89 0.92 0.00 1.61 4.39 -1.96 -2.46 114.58 117.98 3n8k h GLU 110 Ca -0.50 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3n8k h GLU 110 Cb 1.27 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3n8k h GLU 110 CO 0.56 0.61 0.00 0.27 -1.16 0.00 0.00 179.01 179.29 3n8k h PHE 111 N 0.95 0.00 -0.01 4.33 -5.15 -1.96 -0.87 116.94 114.24 3n8k h PHE 111 Ca 0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.19 3n8k h PHE 111 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.49 3n8k h PHE 111 CO -0.03 0.00 -0.12 0.54 -2.00 0.00 0.00 178.31 176.70 3n8k n ARG 112 N -2.47 0.85 -0.18 6.09 1.74 -0.93 -4.10 116.66 117.65 3n8k n ARG 112 Ca -0.01 -0.36 0.11 0.00 -0.77 0.00 0.00 57.85 56.82 3n8k n ARG 112 Cb 0.07 -1.49 0.27 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.77 2.26 -2.96 5.56 1.74 -0.33 -4.58 116.66 117.58 3n8k n ARG 113 Ca 0.15 -1.92 -0.23 0.00 -0.77 0.00 0.00 57.85 55.09 3n8k n ARG 113 Cb 0.29 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.11 2.46 -1.69 -1.55 8.25 -1.26 -5.07 115.22 117.47 3n8k n HIS 114 Ca 0.18 -3.77 -0.44 0.00 -0.26 0.00 0.00 57.72 53.43 3n8k n HIS 114 Cb 0.50 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.08 3.05 0.24 0.41 2.88 -1.26 -4.83 113.62 114.03 3n8k n SER 115 Ca 0.28 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 59.09 3n8k n SER 115 Cb 0.54 -1.47 0.39 0.00 -0.75 0.00 0.00 64.21 62.92 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 4.53 0.00 0.06 0.66 0.05 -1.60 -3.35 116.97 117.32 3n8k h TYR 116 Ca -0.45 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.00 3n8k h TYR 116 Cb 1.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.97 3n8k h TYR 116 CO 0.57 0.04 -1.84 1.28 -1.05 0.00 0.00 178.16 177.17 3n8k n LEU 117 N -3.12 1.64 -0.20 3.88 4.77 -1.26 -4.44 117.00 118.27 3n8k n LEU 117 Ca 0.02 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 3n8k n LEU 117 Cb 0.44 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3n8k n LEU 117 CO 0.32 0.59 0.74 0.28 -1.33 0.00 0.00 177.39 177.99 3n8k h SER 118 N 0.03 -0.59 0.22 -1.43 0.02 -1.93 -1.88 113.55 107.99 3n8k h SER 118 Ca -0.35 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3n8k h SER 118 Cb 2.03 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 64.95 3n8k h SER 118 CO 0.08 -0.21 -0.02 -0.65 -1.14 0.00 0.00 176.83 174.90 3n8k h PRO 119 N -0.01 0.00 -0.01 3.45 0.11 -1.79 -2.69 132.00 131.06 3n8k h PRO 119 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3n8k h PRO 119 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3n8k h PRO 119 CO -0.62 0.02 -0.15 0.44 -0.21 0.00 0.00 178.00 177.47 3n8k n ILE 120 N -3.30 0.00 -2.49 4.15 -6.64 -0.84 -5.00 119.36 105.25 3n8k n ILE 120 Ca -0.02 -0.42 -0.30 0.00 -1.77 0.00 0.00 62.75 60.23 3n8k n ILE 120 Cb 0.14 1.19 -0.02 0.00 -1.44 0.00 0.00 39.64 39.50 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 -1.34 3.23 0.07 -1.28 0.00 -0.77 -4.93 121.76 116.74 3n8k s ALA 121 Ca 0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 3n8k s ALA 121 Cb 0.10 -2.87 -0.14 0.00 0.00 0.00 0.00 23.12 20.21 3n8k s ALA 121 CO 0.24 -0.27 1.63 1.15 0.00 0.00 0.00 175.76 178.51 3n8k h THR 122 N 0.60 1.11 -3.26 0.00 2.02 -0.98 -3.48 112.91 108.92 3n8k h THR 122 Ca -0.46 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3n8k h THR 122 Cb 1.19 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 3n8k h THR 122 CO 0.62 0.09 0.12 -0.83 0.37 0.00 0.00 175.52 175.90 3n8k s GLY 123 N -2.51 0.32 -0.04 2.16 0.00 -1.19 -5.05 107.32 101.01 3n8k s GLY 123 Ca -0.14 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3n8k s GLY 123 CO 0.68 -0.36 -0.03 0.14 0.00 0.00 0.00 173.10 173.53 3n8k s VAL 124 N -3.47 0.43 -0.18 1.40 1.01 -1.26 -1.45 120.40 116.88 3n8k s VAL 124 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3n8k s VAL 124 Cb -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3n8k s VAL 124 CO 0.10 0.21 -0.13 -0.63 0.00 0.00 0.00 175.10 174.65 3n8k s ILE 125 N 1.06 2.78 -0.02 2.22 1.01 0.54 -4.98 121.20 123.82 3n8k s ILE 125 Ca -0.09 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3n8k s ILE 125 Cb -0.14 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 3n8k s ILE 125 CO -0.01 0.49 -0.09 -0.69 0.00 0.00 0.00 174.94 174.64 3n8k s VAL 126 N 1.14 0.72 0.00 2.92 1.01 -1.26 -0.69 120.40 124.24 3n8k s VAL 126 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3n8k s VAL 126 Cb -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3n8k s VAL 126 CO -0.04 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3n8k n GLY 127 N 3.09 0.57 1.81 4.51 0.00 -0.49 -4.80 105.19 109.87 3n8k n GLY 127 Ca -0.16 0.00 0.03 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 5.43 0.00 0.99 4.77 -1.23 -4.59 117.00 122.37 3n8k n LEU 128 Ca 0.00 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 3n8k n LEU 128 Cb 0.04 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3n8k n LEU 128 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3n8k n GLY 129 N 0.39 1.25 0.21 -0.72 0.00 -0.76 -3.22 105.19 102.34 3n8k n GLY 129 Ca 0.28 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.85 0.00 -0.61 6.09 -1.91 -2.81 117.51 119.12 3n8k h ILE 130 Ca 0.00 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3n8k h ILE 130 Cb 0.00 1.70 0.00 0.00 0.47 0.00 0.00 36.82 38.99 3n8k h ILE 130 CO 0.00 0.28 0.00 -0.61 -3.07 0.00 0.00 178.15 174.75 3n8k h GLN 131 N 0.00 0.00 -1.00 2.19 4.15 -1.97 -2.80 115.11 115.69 3n8k h GLN 131 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 3n8k h GLN 131 Cb 0.68 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.28 3n8k h GLN 131 CO 0.04 0.00 0.63 0.78 -1.93 0.00 0.00 178.83 178.35 3n8k h GLY 132 N 1.07 1.62 0.98 2.39 0.00 -1.55 0.68 103.07 108.26 3n8k h GLY 132 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3n8k h GLY 132 CO 0.00 0.15 0.23 -0.97 0.00 0.00 0.00 176.54 175.95 3n8k h TYR 133 N 0.97 0.76 -0.11 5.60 -1.99 -1.73 -2.00 116.97 118.48 3n8k h TYR 133 Ca 0.50 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 61.06 3n8k h TYR 133 Cb 0.52 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3n8k h TYR 133 CO -0.00 0.61 -0.45 -0.07 -0.00 0.00 0.00 178.16 178.25 3n8k h LEU 134 N 0.69 0.28 -0.42 3.88 3.38 -1.28 -1.56 115.31 120.27 3n8k h LEU 134 Ca 0.18 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3n8k h LEU 134 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3n8k h LEU 134 CO -0.02 0.69 -0.75 -0.07 0.09 0.00 0.00 178.44 178.38 3n8k h LEU 135 N 0.21 0.36 -0.63 1.67 3.38 -0.89 -2.14 115.31 117.27 3n8k h LEU 135 Ca 0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3n8k h LEU 135 Cb 0.89 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3n8k h LEU 135 CO 0.07 0.98 0.18 0.00 0.09 0.00 0.00 178.44 179.76 3n8k h ALA 136 N 1.01 0.83 -0.75 1.53 0.00 -1.08 -1.71 119.26 119.09 3n8k h ALA 136 Ca -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3n8k h ALA 136 Cb 1.33 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3n8k h ALA 136 CO 0.12 0.52 0.46 -0.07 0.00 0.00 0.00 179.25 180.28 3n8k h LEU 137 N 0.91 0.90 -0.83 0.00 3.38 -1.21 -2.84 115.31 115.63 3n8k h LEU 137 Ca 0.20 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3n8k h LEU 137 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3n8k h LEU 137 CO -0.00 0.69 -0.14 -0.09 0.09 0.00 0.00 178.44 178.99 3n8k h ARG 138 N 1.03 0.73 -0.41 1.13 2.43 -1.16 -0.82 114.38 117.31 3n8k h ARG 138 Ca 0.27 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3n8k h ARG 138 Cb -0.05 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 3n8k h ARG 138 CO -0.05 0.83 0.01 -0.92 -1.51 0.00 0.00 179.97 178.34 3n8k h TYR 139 N 0.66 0.00 -0.48 2.20 3.20 -1.13 -0.32 116.97 121.10 3n8k h TYR 139 Ca 0.11 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3n8k h TYR 139 Cb 0.61 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3n8k h TYR 139 CO 0.03 -0.07 0.03 -0.07 -1.64 0.00 0.00 178.16 176.44 3n8k h LEU 140 N 0.12 0.80 -0.91 2.82 3.38 -1.20 -2.59 115.31 117.73 3n8k h LEU 140 Ca 0.20 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3n8k h LEU 140 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3n8k h LEU 140 CO -0.33 0.89 0.03 0.00 0.09 0.00 0.00 178.44 179.12 3n8k h ALA 141 N 0.94 1.09 0.00 1.53 0.00 -0.93 -2.58 119.26 119.32 3n8k h ALA 141 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 141 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3n8k h ALA 141 CO 0.02 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.24 3n8k n GLU 142 N -4.22 0.08 -1.39 0.00 -0.58 -0.15 -3.53 120.64 110.85 3n8k n GLU 142 Ca 0.03 0.14 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 3n8k n GLU 142 Cb 0.29 -1.61 0.11 0.00 -0.57 0.00 0.00 31.44 29.66 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3n8k n HIS 143 N -1.75 1.96 1.19 -0.32 8.25 -0.97 -5.09 115.22 118.49 3n8k n HIS 143 Ca 0.05 -2.06 0.13 0.00 -0.26 0.00 0.00 57.72 55.58 3n8k n HIS 143 Cb 0.32 -0.52 0.26 0.00 1.12 0.00 0.00 29.99 31.17 3n8k n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31