#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 5.26 -0.19 1.47 1.01 -1.26 -2.53 121.20 124.95 3n8k s ILE 4 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 3n8k s ILE 4 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 3n8k s ILE 4 CO 0.00 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.53 3n8k s VAL 5 N 0.59 3.17 -0.16 2.92 1.01 -0.22 -4.04 120.40 123.67 3n8k s VAL 5 Ca 0.20 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 3n8k s VAL 5 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3n8k s VAL 5 CO 0.06 0.46 0.54 0.20 0.00 0.00 0.00 175.10 176.37 3n8k s ASN 6 N 1.17 6.67 -0.31 3.32 0.01 -0.66 -1.44 114.94 123.71 3n8k s ASN 6 Ca 0.02 0.81 -0.05 0.00 -0.71 0.00 0.00 52.86 52.93 3n8k s ASN 6 Cb -0.14 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3n8k s ASN 6 CO -0.02 -0.12 0.05 -0.69 -1.51 0.00 0.00 177.10 174.80 3n8k s VAL 7 N 1.23 3.47 -0.19 1.60 1.01 0.73 -0.46 120.40 127.80 3n8k s VAL 7 Ca 0.27 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3n8k s VAL 7 Cb -0.16 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3n8k s VAL 7 CO 0.11 -0.08 -0.05 -0.63 0.00 0.00 0.00 175.10 174.45 3n8k s ILE 8 N 1.36 3.49 -0.15 2.22 -1.09 -0.40 -0.97 121.20 125.65 3n8k s ILE 8 Ca -0.02 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3n8k s ILE 8 Cb -0.19 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3n8k s ILE 8 CO 0.01 0.46 -0.08 0.20 -1.23 0.00 0.00 174.94 174.30 3n8k s ASN 9 N 0.99 4.42 0.29 3.58 0.01 -0.22 -0.99 114.94 123.03 3n8k s ASN 9 Ca 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 3n8k s ASN 9 Cb -0.15 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.81 3n8k s ASN 9 CO 0.00 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 3n8k n GLY 10 N 3.63 -0.58 3.62 0.66 0.00 0.25 -2.25 105.19 110.52 3n8k n GLY 10 Ca -0.18 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.33 1.36 -0.11 1.61 -0.02 -1.16 -2.85 135.00 133.50 3n8k n PRO 11 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3n8k n PRO 11 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.37 0.00 -0.04 2.55 3.02 -1.26 -4.51 115.26 115.39 3n8k n ASN 12 Ca 0.09 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.78 3n8k n ASN 12 Cb 0.40 -0.66 0.60 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.22 -0.03 3.41 4.77 -1.13 -2.84 117.00 121.40 3n8k n LEU 13 Ca 0.00 0.22 0.15 0.00 -0.03 0.00 0.00 56.01 56.35 3n8k n LEU 13 Cb 0.00 -0.31 0.90 0.00 -2.33 0.00 0.00 43.42 41.68 3n8k n LEU 13 CO 0.00 0.04 1.08 0.61 -1.33 0.00 0.00 177.39 177.79 3n8k n GLY 14 N 1.38 -0.94 0.71 -0.72 0.00 -1.26 -3.49 105.19 100.87 3n8k n GLY 14 Ca 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.91 2.70 -1.69 1.61 1.74 -1.13 -4.78 116.66 114.20 3n8k n ARG 15 Ca 0.23 -2.63 -0.40 0.00 -0.77 0.00 0.00 57.85 54.28 3n8k n ARG 15 Cb 0.12 -1.67 0.02 0.00 -1.02 0.00 0.00 32.46 29.91 3n8k n ARG 15 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3n8k n LEU 16 N -0.47 4.06 0.00 0.55 4.77 -1.23 -0.71 117.00 123.97 3n8k n LEU 16 Ca 0.18 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 3n8k n LEU 16 Cb 0.76 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 3n8k n LEU 16 CO 0.12 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 3n8k n GLY 17 N 0.88 2.71 0.10 -0.72 0.00 -1.01 -3.74 105.19 103.41 3n8k n GLY 17 Ca 0.08 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 3n8k n GLY 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n8k h ARG 18 N 0.00 0.11 -6.02 1.61 2.43 -1.75 -3.42 114.38 107.35 3n8k h ARG 18 Ca 0.00 -0.20 -0.55 0.00 -0.81 0.00 0.00 59.98 58.42 3n8k h ARG 18 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3n8k h ARG 18 CO 0.00 1.09 1.43 0.50 -1.51 0.00 0.00 179.97 181.48 3n8k s ARG 19 N -2.34 2.96 -0.58 0.20 3.52 0.11 -4.11 118.95 118.70 3n8k s ARG 19 Ca -0.20 1.54 -0.18 0.00 -0.13 0.00 0.00 55.73 56.77 3n8k s ARG 19 Cb 0.01 -4.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.07 3n8k s ARG 19 CO 0.72 -2.30 0.57 0.39 -0.81 0.00 0.00 175.30 173.86 3n8k n GLU 20 N 8.74 -1.56 0.26 5.12 1.02 -1.26 -4.43 120.64 128.53 3n8k n GLU 20 Ca 0.28 0.96 0.10 0.00 -0.02 0.00 0.00 57.16 58.47 3n8k n GLU 20 Cb 0.48 -1.89 0.69 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.84 0.00 0.00 3.49 0.11 -1.75 0.91 132.00 135.60 3n8k h PRO 21 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3n8k h PRO 21 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3n8k h PRO 21 CO 0.27 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 3n8k h ALA 22 N 1.99 1.00 0.00 -0.75 0.00 -1.88 -1.48 119.26 118.14 3n8k h ALA 22 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 3n8k h ALA 22 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3n8k h ALA 22 CO -0.00 0.00 -2.10 0.28 0.00 0.00 0.00 179.25 177.43 3n8k n VAL 23 N -3.03 1.09 0.43 0.00 0.31 -0.17 -4.79 118.33 112.18 3n8k n VAL 23 Ca 0.01 -0.35 0.05 0.00 -0.01 0.00 0.00 64.34 64.04 3n8k n VAL 23 Cb 0.29 -1.47 0.01 0.00 -0.91 0.00 0.00 33.84 31.76 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 -3.48 0.00 0.00 3.52 4.02 0.14 -4.36 117.16 117.00 3n8k n TYR 24 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3n8k n TYR 24 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 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 0.78 -0.16 0.82 2.72 0.00 -0.56 -4.78 105.19 104.03 3n8k n GLY 25 Ca 0.05 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.19 3.52 3.69 -0.02 0.00 -1.26 -3.72 105.19 107.20 3n8k n GLY 26 Ca 0.00 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.12 5.08 0.80 2.61 2.01 -1.26 -4.60 115.64 118.16 3n8k s THR 27 Ca 0.35 1.16 -0.11 0.00 0.31 0.00 0.00 61.69 63.40 3n8k s THR 27 Cb 0.26 -3.92 0.07 0.00 0.01 0.00 0.00 72.50 68.92 3n8k s THR 27 CO 0.12 0.20 1.09 0.42 -0.69 0.00 0.00 174.62 175.76 3n8k s THR 28 N 1.33 3.13 0.19 -0.82 -4.23 -1.26 -2.42 115.64 111.57 3n8k s THR 28 Ca 0.30 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 3n8k s THR 28 Cb -0.16 -3.04 0.10 0.00 1.34 0.00 0.00 72.50 70.74 3n8k s THR 28 CO 0.12 -0.48 1.69 -0.74 -0.54 0.00 0.00 174.62 174.67 3n8k h HIS 29 N -1.14 1.20 -0.80 3.99 2.76 -1.87 -1.11 115.15 118.18 3n8k h HIS 29 Ca -0.47 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 57.52 3n8k h HIS 29 Cb 1.26 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.85 3n8k h HIS 29 CO 0.49 0.99 0.44 -0.44 -1.30 0.00 0.00 177.93 178.11 3n8k h ASP 30 N 1.05 1.00 -0.11 3.26 5.19 -1.93 -1.06 116.42 123.83 3n8k h ASP 30 Ca 0.21 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 3n8k h ASP 30 Cb 0.44 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3n8k h ASP 30 CO 0.01 0.81 -0.24 -0.33 -3.12 0.00 0.00 179.24 176.37 3n8k h GLU 31 N 1.11 0.54 -0.50 3.56 5.08 -1.88 -2.73 114.58 119.76 3n8k h GLU 31 Ca 0.28 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3n8k h GLU 31 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3n8k h GLU 31 CO -0.05 0.74 0.12 1.25 -1.00 0.00 0.00 179.01 180.08 3n8k h LEU 32 N 0.48 0.75 -0.19 1.33 5.85 -0.77 -1.89 115.31 120.88 3n8k h LEU 32 Ca 0.07 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3n8k h LEU 32 Cb 0.67 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3n8k h LEU 32 CO 0.05 0.79 -0.03 0.58 -0.34 0.00 0.00 178.44 179.49 3n8k h VAL 33 N 0.68 0.84 -0.28 1.05 2.07 -1.08 -1.18 116.25 118.36 3n8k h VAL 33 Ca 0.16 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 3n8k h VAL 33 Cb 0.33 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3n8k h VAL 33 CO 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 3n8k h ALA 34 N 1.17 1.32 -0.47 1.67 0.00 -1.42 -0.96 119.26 120.57 3n8k h ALA 34 Ca 0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3n8k h ALA 34 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3n8k h ALA 34 CO -0.17 0.46 -0.24 -0.07 0.00 0.00 0.00 179.25 179.22 3n8k h LEU 35 N 0.43 1.03 -0.42 0.00 3.38 -1.05 -1.91 115.31 116.78 3n8k h LEU 35 Ca 0.08 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3n8k h LEU 35 Cb 0.43 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3n8k h LEU 35 CO 0.02 1.21 -0.09 0.40 0.09 0.00 0.00 178.44 180.07 3n8k h ILE 36 N 0.85 1.27 -0.81 1.22 2.04 -0.88 -2.02 117.51 119.18 3n8k h ILE 36 Ca 0.10 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3n8k h ILE 36 Cb 0.83 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3n8k h ILE 36 CO 0.07 0.40 0.34 -0.33 0.00 0.00 0.00 178.15 178.63 3n8k h GLU 37 N 0.62 1.20 -0.15 2.37 5.08 -1.17 -1.21 114.58 121.33 3n8k h GLU 37 Ca 0.11 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 3n8k h GLU 37 Cb 0.62 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3n8k h GLU 37 CO 0.04 0.96 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.34 3n8k h ARG 38 N 1.17 0.48 -0.13 2.33 2.43 -1.30 -2.53 114.38 116.83 3n8k h ARG 38 Ca 0.27 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3n8k h ARG 38 Cb 0.20 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3n8k h ARG 38 CO -0.02 0.92 -0.30 1.49 -1.51 0.00 0.00 179.97 180.55 3n8k h GLU 39 N 0.36 0.43 -0.43 0.20 4.57 -1.23 -3.13 114.58 115.34 3n8k h GLU 39 Ca -0.00 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 3n8k h GLU 39 Cb 1.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3n8k h GLU 39 CO 0.10 0.90 0.00 0.00 -1.18 0.00 0.00 179.01 178.84 3n8k h ALA 40 N 0.52 1.20 -0.67 2.92 0.00 -1.26 -1.97 119.26 120.01 3n8k h ALA 40 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 40 Cb 0.91 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3n8k h ALA 40 CO 0.07 0.52 0.25 0.00 0.00 0.00 0.00 179.25 180.09 3n8k h ALA 41 N 1.35 1.18 0.00 0.00 0.00 -1.46 0.57 119.26 120.90 3n8k h ALA 41 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3n8k h ALA 41 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3n8k h ALA 41 CO 0.02 0.59 -0.43 0.93 0.00 0.00 0.00 179.25 180.35 3n8k h GLU 42 N 0.97 0.00 -0.02 0.00 5.08 -1.42 -2.91 114.58 116.29 3n8k h GLU 42 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3n8k h GLU 42 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3n8k h GLU 42 CO -0.02 0.43 -0.03 1.28 -1.00 0.00 0.00 179.01 179.68 3n8k n LEU 43 N -3.59 1.54 -1.14 1.33 4.77 -0.77 -4.95 117.00 114.19 3n8k n LEU 43 Ca -0.00 -0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 55.41 3n8k n LEU 43 Cb 0.54 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3n8k n LEU 43 CO 0.38 0.26 0.03 0.61 -1.33 0.00 0.00 177.39 177.34 3n8k n GLY 44 N 1.20 0.47 3.18 -0.72 0.00 -0.16 -4.93 105.19 104.23 3n8k n GLY 44 Ca 0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.37 2.36 -0.24 0.99 1.43 0.18 -4.57 118.68 116.46 3n8k s LEU 45 Ca 0.12 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3n8k s LEU 45 Cb -0.05 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 3n8k s LEU 45 CO 0.14 -0.19 0.11 -1.59 0.23 0.00 0.00 176.35 175.06 3n8k s LYS 46 N -2.43 3.86 -0.16 1.70 0.00 -1.05 -3.39 119.74 118.27 3n8k s LYS 46 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 55.97 55.58 3n8k s LYS 46 Cb -0.06 -3.42 -0.03 0.00 0.00 0.00 0.00 37.83 34.32 3n8k s LYS 46 CO 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 175.35 175.31 3n8k s ALA 47 N 1.32 3.17 -0.32 0.59 0.00 -1.26 -1.06 121.76 124.20 3n8k s ALA 47 Ca 0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 3n8k s ALA 47 Cb -0.15 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.36 3n8k s ALA 47 CO 0.05 0.25 0.06 0.08 0.00 0.00 0.00 175.76 176.20 3n8k s VAL 48 N 0.20 3.32 -0.27 0.00 1.01 -0.52 -4.91 120.40 119.23 3n8k s VAL 48 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 3n8k s VAL 48 Cb -0.13 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3n8k s VAL 48 CO 0.02 -0.18 0.13 -0.69 0.00 0.00 0.00 175.10 174.37 3n8k s VAL 49 N 1.30 4.66 0.04 2.92 1.01 -1.26 -0.19 120.40 128.88 3n8k s VAL 49 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3n8k s VAL 49 Cb -0.20 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3n8k s VAL 49 CO 0.00 0.24 -0.11 -0.13 0.00 0.00 0.00 175.10 175.10 3n8k s ARG 50 N 1.65 0.74 -0.01 2.72 0.52 -0.15 -5.00 118.95 119.43 3n8k s ARG 50 Ca 0.06 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3n8k s ARG 50 Cb -0.16 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.64 3n8k s ARG 50 CO 0.06 0.16 -0.04 -1.14 0.02 0.00 0.00 175.30 174.36 3n8k s GLN 51 N -1.19 0.48 -0.10 3.54 -0.44 -1.26 -1.06 119.66 119.63 3n8k s GLN 51 Ca -0.02 -0.14 -0.20 0.00 -2.50 0.00 0.00 55.36 52.50 3n8k s GLN 51 Cb -0.08 -0.49 0.05 0.00 -1.64 0.00 0.00 33.01 30.85 3n8k s GLN 51 CO 0.01 0.05 0.48 0.45 0.50 0.00 0.00 175.29 176.78 3n8k s SER 52 N 0.19 -0.45 0.04 6.67 0.15 -0.95 -5.00 113.70 114.35 3n8k s SER 52 Ca -0.02 0.66 0.25 0.00 0.70 0.00 0.00 55.95 57.53 3n8k s SER 52 Cb -0.06 0.69 0.43 0.00 -1.71 0.00 0.00 66.02 65.38 3n8k s SER 52 CO -0.00 -0.35 1.36 0.47 1.20 0.00 0.00 173.24 175.92 3n8k n ASP 53 N 1.91 0.56 -4.68 5.45 8.00 -1.26 -3.01 116.55 123.52 3n8k n ASP 53 Ca -0.17 -0.13 -0.40 0.00 0.71 0.00 0.00 54.79 54.81 3n8k n ASP 53 Cb 0.56 0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 -3.43 6.72 0.19 -2.24 0.15 -1.26 -4.69 113.70 109.14 3n8k s SER 54 Ca 0.09 0.87 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 3n8k s SER 54 Cb 0.16 -2.34 0.10 0.00 -1.71 0.00 0.00 66.02 62.23 3n8k s SER 54 CO 0.71 -0.19 1.75 -0.08 1.20 0.00 0.00 173.24 176.62 3n8k h GLU 55 N 7.24 1.00 -0.95 5.44 4.81 -2.00 -2.59 114.58 127.53 3n8k h GLU 55 Ca -0.35 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3n8k h GLU 55 Cb 1.16 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 3n8k h GLU 55 CO 0.76 0.84 0.62 0.00 -0.73 0.00 0.00 179.01 180.50 3n8k h ALA 56 N 1.12 1.41 -0.25 2.92 0.00 -1.99 -0.85 119.26 121.61 3n8k h ALA 56 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3n8k h ALA 56 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3n8k h ALA 56 CO -0.02 0.48 0.02 0.37 0.00 0.00 0.00 179.25 180.10 3n8k h GLN 57 N 1.17 0.44 -0.51 0.00 5.75 -1.93 -2.26 115.11 117.76 3n8k h GLN 57 Ca 0.39 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 3n8k h GLN 57 Cb 0.06 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3n8k h GLN 57 CO -0.13 0.59 0.19 -0.07 -2.65 0.00 0.00 178.83 176.76 3n8k h LEU 58 N 0.23 0.68 -0.66 -2.39 3.38 -1.07 -2.04 115.31 113.44 3n8k h LEU 58 Ca 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3n8k h LEU 58 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3n8k h LEU 58 CO 0.01 0.63 0.25 -0.07 0.09 0.00 0.00 178.44 179.35 3n8k h LEU 59 N 0.74 0.92 -1.03 1.67 3.38 -1.07 -2.48 115.31 117.43 3n8k h LEU 59 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3n8k h LEU 59 Cb 0.18 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3n8k h LEU 59 CO -0.01 0.85 0.15 -0.78 0.09 0.00 0.00 178.44 178.73 3n8k h ASP 60 N 0.94 0.79 -0.10 -0.43 3.58 -0.78 -1.66 116.42 118.75 3n8k h ASP 60 Ca 0.22 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 3n8k h ASP 60 Cb 0.22 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3n8k h ASP 60 CO -0.02 0.76 -0.47 -0.50 -2.88 0.00 0.00 179.24 176.14 3n8k h TRP 61 N 0.82 0.81 -0.37 0.28 6.55 -1.24 -2.29 115.95 120.51 3n8k h TRP 61 Ca 0.18 -0.26 -0.14 0.00 0.95 0.00 0.00 58.89 59.62 3n8k h TRP 61 Cb 0.28 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 3n8k h TRP 61 CO 0.02 1.00 -0.35 0.82 -1.05 0.00 0.00 178.44 178.88 3n8k h ILE 62 N 0.53 1.28 -0.77 1.49 1.08 -1.25 -2.13 117.51 117.74 3n8k h ILE 62 Ca 0.03 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 3n8k h ILE 62 Cb 1.01 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 3n8k h ILE 62 CO 0.09 0.50 0.34 0.45 -0.69 0.00 0.00 178.15 178.85 3n8k h HIS 63 N 0.70 1.13 -0.37 1.37 3.86 -1.27 0.44 115.15 121.00 3n8k h HIS 63 Ca 0.07 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3n8k h HIS 63 Cb 0.91 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3n8k h HIS 63 CO 0.05 0.84 -0.04 1.96 0.86 0.00 0.00 177.93 181.61 3n8k h GLN 64 N 1.09 0.61 0.00 2.45 4.20 -1.33 -1.75 115.11 120.38 3n8k h GLN 64 Ca 0.26 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3n8k h GLN 64 Cb 0.16 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3n8k h GLN 64 CO -0.03 0.66 -0.58 0.00 -0.67 0.00 0.00 178.83 178.22 3n8k h ALA 65 N 1.39 0.85 -0.06 3.87 0.00 -0.94 -2.50 119.26 121.87 3n8k h ALA 65 Ca 0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3n8k h ALA 65 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3n8k h ALA 65 CO 0.02 0.72 -0.78 0.00 0.00 0.00 0.00 179.25 179.21 3n8k h ALA 66 N 1.42 0.53 -0.11 0.00 0.00 -0.50 -0.95 119.26 119.65 3n8k h ALA 66 Ca -0.01 -0.63 -0.23 0.00 0.00 0.00 0.00 54.91 54.04 3n8k h ALA 66 Cb 1.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3n8k h ALA 66 CO 0.07 0.78 -0.85 -0.44 0.00 0.00 0.00 179.25 178.81 3n8k h ASP 67 N 0.27 0.91 0.09 0.00 3.32 -1.32 -3.24 116.42 116.46 3n8k h ASP 67 Ca -0.04 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3n8k h ASP 67 Cb 1.38 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3n8k h ASP 67 CO 0.14 1.43 -0.06 0.00 -1.72 0.00 0.00 179.24 179.03 3n8k n ALA 68 N -2.61 2.70 -3.82 3.45 0.00 -0.95 -4.95 120.51 114.34 3n8k n ALA 68 Ca -0.08 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 3n8k n ALA 68 Cb 0.79 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.39 -1.80 -2.82 0.00 0.00 -0.74 -4.99 120.51 109.78 3n8k n ALA 69 Ca 0.18 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 3n8k n ALA 69 Cb 0.29 -2.55 -0.07 0.00 0.00 0.00 0.00 19.45 17.12 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 -6.28 3.39 0.52 0.00 2.02 -0.44 -4.67 118.70 113.24 3n8k s GLU 70 Ca 0.20 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.75 3n8k s GLU 70 Cb -0.10 -3.10 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 3n8k s GLU 70 CO 0.83 0.71 1.25 -2.14 0.02 0.00 0.00 175.26 175.93 3n8k s PRO 71 N -0.84 3.36 -0.12 0.39 0.02 -1.26 -4.70 135.00 131.85 3n8k s PRO 71 Ca 0.14 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3n8k s PRO 71 Cb -0.12 -2.26 0.02 0.00 0.02 0.00 0.00 34.50 32.16 3n8k s PRO 71 CO 0.03 -0.93 -0.15 0.08 -0.33 0.00 0.00 177.00 175.70 3n8k s VAL 72 N -1.45 1.49 -0.37 3.83 1.01 -0.91 -1.65 120.40 122.35 3n8k s VAL 72 Ca 0.69 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 3n8k s VAL 72 Cb -0.34 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3n8k s VAL 72 CO 0.40 0.44 0.27 -0.63 0.00 0.00 0.00 175.10 175.57 3n8k s ILE 73 N 1.10 5.25 -0.12 2.22 1.01 0.39 -0.80 121.20 130.25 3n8k s ILE 73 Ca -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3n8k s ILE 73 Cb -0.14 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 3n8k s ILE 73 CO -0.03 -0.15 -0.21 -0.22 0.00 0.00 0.00 174.94 174.33 3n8k s LEU 74 N 1.70 2.26 -0.36 2.97 2.96 0.39 -1.28 118.68 127.32 3n8k s LEU 74 Ca 0.05 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3n8k s LEU 74 Cb -0.18 -1.47 0.10 0.00 0.50 0.00 0.00 46.19 45.14 3n8k s LEU 74 CO 0.10 0.14 0.08 0.21 -1.32 0.00 0.00 176.35 175.56 3n8k s ASN 75 N 0.45 4.67 0.00 3.68 3.84 -0.16 -0.46 114.94 126.96 3n8k s ASN 75 Ca -0.14 -2.22 0.30 0.00 0.21 0.00 0.00 52.86 51.01 3n8k s ASN 75 Cb -0.17 -1.58 1.58 0.00 -0.55 0.00 0.00 41.25 40.54 3n8k s ASN 75 CO 0.06 -0.37 2.06 0.00 -2.79 0.00 0.00 177.10 176.07 3n8k n ALA 76 N 4.16 2.64 -0.68 1.71 0.00 -1.26 0.85 120.51 127.93 3n8k n ALA 76 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 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 1.16 2.55 0.12 0.00 0.00 -1.26 -2.38 105.19 105.37 3n8k n GLY 77 Ca 0.19 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3n8k n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n8k n GLY 78 N 0.00 -1.49 0.11 -0.02 0.00 -1.26 -2.72 105.19 99.80 3n8k n GLY 78 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3n8k n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 79 N -2.28 0.72 -0.22 0.99 4.77 -1.00 -3.33 117.00 116.64 3n8k n LEU 79 Ca 0.04 0.60 0.03 0.00 -0.03 0.00 0.00 56.01 56.64 3n8k n LEU 79 Cb 0.33 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.28 3n8k n LEU 79 CO 0.25 -0.29 1.23 0.74 -1.33 0.00 0.00 177.39 177.99 3n8k h THR 80 N 0.00 1.13 -0.00 -5.08 2.02 -1.62 -0.43 112.91 108.92 3n8k h THR 80 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3n8k h THR 80 Cb 0.60 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3n8k h THR 80 CO 0.00 0.17 -0.77 1.41 0.37 0.00 0.00 175.52 176.70 3n8k n HIS 81 N -4.45 0.00 -0.02 3.16 8.25 -1.21 -1.56 115.22 119.39 3n8k n HIS 81 Ca 0.10 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.52 3n8k n HIS 81 Cb 0.11 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.22 0.19 -2.69 1.59 -2.24 -1.09 -4.78 114.28 104.04 3n8k n THR 82 Ca 0.06 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3n8k n THR 82 Cb 0.35 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 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 -4.94 6.81 0.07 3.42 0.15 -0.19 -4.88 113.70 114.14 3n8k s SER 83 Ca -0.05 0.82 0.06 0.00 0.70 0.00 0.00 55.95 57.48 3n8k s SER 83 Cb 0.02 -2.52 -0.23 0.00 -1.71 0.00 0.00 66.02 61.58 3n8k s SER 83 CO 0.07 -0.92 1.11 0.58 1.20 0.00 0.00 173.24 175.27 3n8k h VAL 84 N 5.83 1.48 -0.79 4.45 2.07 -1.96 -3.24 116.25 124.09 3n8k h VAL 84 Ca -0.22 -3.20 0.01 0.00 0.82 0.00 0.00 66.70 64.11 3n8k h VAL 84 Cb 1.07 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.57 3n8k h VAL 84 CO 1.03 0.86 0.52 0.00 0.02 0.00 0.00 177.57 180.00 3n8k h ALA 85 N 0.91 1.00 -0.14 1.67 0.00 -1.98 -0.14 119.26 120.59 3n8k h ALA 85 Ca -0.10 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 85 Cb 1.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3n8k h ALA 85 CO 0.13 0.42 -0.45 1.25 0.00 0.00 0.00 179.25 180.61 3n8k h LEU 86 N 1.07 0.35 -0.73 0.00 5.85 -1.95 -2.65 115.31 117.26 3n8k h LEU 86 Ca 0.29 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3n8k h LEU 86 Cb -0.11 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3n8k h LEU 86 CO -0.06 0.76 0.22 -0.09 -0.34 0.00 0.00 178.44 178.92 3n8k h ARG 87 N 0.27 1.14 0.00 1.25 2.43 -1.43 -2.52 114.38 115.52 3n8k h ARG 87 Ca 0.02 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 3n8k h ARG 87 Cb 0.90 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3n8k h ARG 87 CO 0.07 0.98 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.69 3n8k h ASP 88 N 1.09 0.00 -0.15 -3.80 3.32 -0.86 -2.59 116.42 113.42 3n8k h ASP 88 Ca 0.23 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 3n8k h ASP 88 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 3n8k h ASP 88 CO -0.01 0.39 -0.70 0.00 -1.72 0.00 0.00 179.24 177.20 3n8k h ALA 89 N 1.61 0.29 0.00 3.45 0.00 -1.30 -3.19 119.26 120.12 3n8k h ALA 89 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3n8k h ALA 89 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3n8k h ALA 89 CO 0.05 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 3n8k h ALA 91 N 1.97 1.25 0.00 0.00 0.00 -1.45 -2.55 119.26 118.48 3n8k h ALA 91 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n8k h ALA 91 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3n8k h ALA 91 CO 0.00 0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.23 3n8k h GLU 92 N 0.00 0.00 -6.25 0.00 5.08 -1.59 -3.45 114.58 108.37 3n8k h GLU 92 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3n8k h GLU 92 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3n8k h GLU 92 CO 0.02 0.11 1.07 -0.51 -1.00 0.00 0.00 179.01 178.69 3n8k s LEU 93 N -6.37 4.29 0.01 1.33 1.43 -0.96 -4.87 118.68 113.53 3n8k s LEU 93 Ca 0.03 2.16 0.10 0.00 -1.03 0.00 0.00 54.13 55.38 3n8k s LEU 93 Cb 0.08 -3.53 -0.23 0.00 0.03 0.00 0.00 46.19 42.54 3n8k s LEU 93 CO 0.62 -0.92 0.85 0.77 0.23 0.00 0.00 176.35 177.91 3n8k h SER 94 N 9.43 0.02 -4.16 2.29 4.64 -1.87 -3.47 113.55 120.43 3n8k h SER 94 Ca -0.38 -0.04 -0.46 0.00 -0.47 0.00 0.00 61.79 60.44 3n8k h SER 94 Cb 1.17 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3n8k h SER 94 CO 0.96 1.03 0.36 0.00 -0.87 0.00 0.00 176.83 178.31 3n8k s ALA 95 N -2.63 3.06 0.26 5.18 0.00 -1.26 -4.99 121.76 121.37 3n8k s ALA 95 Ca -0.03 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 3n8k s ALA 95 Cb 0.09 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 3n8k s ALA 95 CO 0.82 -0.14 1.49 -2.30 0.00 0.00 0.00 175.76 175.63 3n8k n PRO 96 N -1.34 2.31 -4.14 0.00 -0.02 -1.26 -4.73 135.00 125.82 3n8k n PRO 96 Ca 0.07 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 3n8k n PRO 96 Cb 0.54 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 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 -0.07 2.77 -0.19 2.45 2.96 -1.26 -2.14 118.68 123.21 3n8k s LEU 97 Ca 0.67 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3n8k s LEU 97 Cb -0.59 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 3n8k s LEU 97 CO 0.48 0.03 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.86 3n8k s ILE 98 N 1.17 3.43 0.02 6.68 1.01 0.02 0.27 121.20 133.81 3n8k s ILE 98 Ca 0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3n8k s ILE 98 Cb -0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 3n8k s ILE 98 CO -0.02 0.46 0.85 -0.70 0.00 0.00 0.00 174.94 175.52 3n8k s GLU 99 N 1.03 4.54 -0.06 2.79 2.12 0.06 -0.46 118.70 128.72 3n8k s GLU 99 Ca 0.00 1.19 0.03 0.00 0.36 0.00 0.00 54.97 56.55 3n8k s GLU 99 Cb -0.15 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.84 3n8k s GLU 99 CO -0.00 0.13 -0.13 0.08 -0.54 0.00 0.00 175.26 174.81 3n8k s VAL 100 N 0.42 1.15 -0.05 3.70 1.01 0.39 -0.49 120.40 126.54 3n8k s VAL 100 Ca 0.43 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3n8k s VAL 100 Cb -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3n8k s VAL 100 CO 0.25 0.35 -0.16 -1.00 0.00 0.00 0.00 175.10 174.54 3n8k s HIS 101 N 0.51 1.63 -0.06 5.22 3.76 0.66 -4.19 115.29 122.82 3n8k s HIS 101 Ca -0.12 -0.50 -0.25 0.00 -0.15 0.00 0.00 55.06 54.05 3n8k s HIS 101 Cb -0.14 -1.12 -0.20 0.00 1.11 0.00 0.00 32.58 32.23 3n8k s HIS 101 CO 0.03 -0.19 1.02 0.82 -0.85 0.00 0.00 174.74 175.57 3n8k h ILE 102 N 5.41 1.28 -3.61 0.60 2.04 -1.86 -1.80 117.51 119.58 3n8k h ILE 102 Ca -0.32 -1.39 -0.49 0.00 1.00 0.00 0.00 64.86 63.66 3n8k h ILE 102 Cb 1.18 2.16 0.04 0.00 -0.74 0.00 0.00 36.82 39.46 3n8k h ILE 102 CO 0.48 0.34 0.14 -0.94 0.00 0.00 0.00 178.15 178.16 3n8k s SER 103 N -5.73 6.05 -0.73 1.72 1.04 -1.26 -1.78 113.70 113.01 3n8k s SER 103 Ca -0.15 0.87 -0.26 0.00 0.48 0.00 0.00 55.95 56.89 3n8k s SER 103 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3n8k s SER 103 CO 0.61 -0.74 1.62 0.21 0.98 0.00 0.00 173.24 175.92 3n8k s ASN 104 N -4.17 5.69 0.45 7.02 3.84 -1.26 -2.50 114.94 124.01 3n8k s ASN 104 Ca 0.50 -0.23 0.31 0.00 0.21 0.00 0.00 52.86 53.65 3n8k s ASN 104 Cb -0.10 -2.55 1.39 0.00 -0.55 0.00 0.00 41.25 39.44 3n8k s ASN 104 CO 0.45 -2.14 1.92 1.62 -2.79 0.00 0.00 177.10 176.16 3n8k h VAL 105 N 6.61 0.00 -0.00 -5.21 3.04 -1.93 -2.06 116.25 116.70 3n8k h VAL 105 Ca -0.18 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3n8k h VAL 105 Cb 1.09 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3n8k h VAL 105 CO 1.26 0.00 -0.52 1.41 -1.01 0.00 0.00 177.57 178.71 3n8k n HIS 106 N -2.73 0.00 0.25 3.17 8.25 -1.26 -3.82 115.22 119.09 3n8k n HIS 106 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3n8k n HIS 106 Cb 0.22 -0.18 0.27 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.27 2.42 -2.73 -1.41 0.00 -0.78 -4.94 120.51 111.81 3n8k n ALA 107 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3n8k n ALA 107 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.30 3.24 -1.66 0.00 1.74 -1.25 -5.09 116.66 114.93 3n8k n ARG 108 Ca 0.20 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.94 3n8k n ARG 108 Cb 0.54 0.00 0.06 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 4.41 2.59 0.27 5.56 8.01 -1.26 -4.97 118.70 133.32 3n8k s GLU 109 Ca 0.00 1.52 0.04 0.00 0.01 0.00 0.00 54.97 56.54 3n8k s GLU 109 Cb 0.00 -1.91 0.39 0.00 -4.31 0.00 0.00 34.13 28.30 3n8k s GLU 109 CO 0.00 -1.44 1.68 0.93 0.01 0.00 0.00 175.26 176.44 3n8k h GLU 110 N -0.04 0.36 0.00 1.61 4.39 -1.96 -2.99 114.58 115.95 3n8k h GLU 110 Ca -0.47 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3n8k h GLU 110 Cb 1.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3n8k h GLU 110 CO 0.53 0.69 0.00 1.97 -1.16 0.00 0.00 179.01 181.04 3n8k n PHE 111 N -4.04 0.24 1.27 4.33 1.16 -1.26 -1.88 117.46 117.28 3n8k n PHE 111 Ca -0.01 0.10 0.13 0.00 -1.87 0.00 0.00 57.45 55.80 3n8k n PHE 111 Cb 0.47 -0.66 0.39 0.00 -1.61 0.00 0.00 39.48 38.07 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 -1.73 0.93 -0.14 3.97 1.74 -1.13 -4.15 116.66 116.15 3n8k n ARG 112 Ca 0.02 -0.55 0.11 0.00 -0.77 0.00 0.00 57.85 56.66 3n8k n ARG 112 Cb 0.16 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.55 2.10 -3.12 5.56 1.74 -0.79 -4.53 116.66 117.07 3n8k n ARG 113 Ca 0.13 -1.67 -0.25 0.00 -0.77 0.00 0.00 57.85 55.29 3n8k n ARG 113 Cb 0.35 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.88 2.87 -1.85 -1.55 8.25 -1.26 -5.08 115.22 117.48 3n8k n HIS 114 Ca 0.17 -3.97 -0.41 0.00 -0.26 0.00 0.00 57.72 53.26 3n8k n HIS 114 Cb 0.46 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 3n8k n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3n8k s SER 115 N -2.85 6.44 0.42 0.41 0.15 -1.26 -4.79 113.70 112.21 3n8k s SER 115 Ca 0.44 2.93 0.23 0.00 0.70 0.00 0.00 55.95 60.25 3n8k s SER 115 Cb 0.25 -2.65 0.31 0.00 -1.71 0.00 0.00 66.02 62.23 3n8k s SER 115 CO -0.10 -0.83 1.57 1.88 1.20 0.00 0.00 173.24 176.97 3n8k h TYR 116 N 3.95 0.00 0.00 3.44 0.05 -1.59 -3.35 116.97 119.46 3n8k h TYR 116 Ca -0.49 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.09 3n8k h TYR 116 Cb 1.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.93 3n8k h TYR 116 CO 0.56 0.02 -1.76 1.28 -1.05 0.00 0.00 178.16 177.21 3n8k n LEU 117 N -3.08 0.52 -0.35 3.88 4.77 -1.26 -4.39 117.00 117.09 3n8k n LEU 117 Ca 0.04 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3n8k n LEU 117 Cb 0.54 0.17 0.14 0.00 -2.33 0.00 0.00 43.42 41.94 3n8k n LEU 117 CO 0.35 0.23 1.29 0.28 -1.33 0.00 0.00 177.39 178.20 3n8k h SER 118 N 0.00 1.09 0.57 -1.43 0.02 -1.92 0.16 113.55 112.04 3n8k h SER 118 Ca -0.24 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3n8k h SER 118 Cb 1.69 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 3n8k h SER 118 CO 0.04 0.78 -0.20 -0.65 -1.14 0.00 0.00 176.83 175.66 3n8k h PRO 119 N 1.29 0.00 0.00 3.45 0.11 -1.78 -3.18 132.00 131.88 3n8k h PRO 119 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3n8k h PRO 119 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3n8k h PRO 119 CO -0.09 0.20 -1.03 0.44 -0.21 0.00 0.00 178.00 177.31 3n8k n ILE 120 N -3.61 0.00 -1.52 4.15 -5.35 -1.01 -4.98 119.36 107.05 3n8k n ILE 120 Ca -0.01 -0.15 -0.31 0.00 -0.27 0.00 0.00 62.75 62.01 3n8k n ILE 120 Cb 0.34 0.82 0.06 0.00 -1.74 0.00 0.00 39.64 39.12 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n8k s ALA 121 N -2.79 2.57 0.02 -1.28 0.00 0.01 -4.94 121.76 115.36 3n8k s ALA 121 Ca 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 3n8k s ALA 121 Cb 0.13 -3.18 -0.21 0.00 0.00 0.00 0.00 23.12 19.86 3n8k s ALA 121 CO 0.73 -1.36 1.16 1.15 0.00 0.00 0.00 175.76 177.44 3n8k h THR 122 N -0.82 1.40 -3.63 0.00 2.02 -0.50 -3.48 112.91 107.89 3n8k h THR 122 Ca -0.44 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 64.71 3n8k h THR 122 Cb 1.22 2.41 -0.12 0.00 -1.74 0.00 0.00 68.15 69.92 3n8k h THR 122 CO 0.56 0.58 -0.18 -0.83 0.37 0.00 0.00 175.52 176.02 3n8k s GLY 123 N -4.00 0.20 -0.07 2.16 0.00 -1.19 -5.04 107.32 99.37 3n8k s GLY 123 Ca -0.13 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.02 3n8k s GLY 123 CO 0.82 -0.59 -0.06 0.14 0.00 0.00 0.00 173.10 173.42 3n8k s VAL 124 N -3.92 0.75 -0.18 1.40 1.01 -1.26 -0.76 120.40 117.45 3n8k s VAL 124 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3n8k s VAL 124 Cb 0.02 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3n8k s VAL 124 CO -0.02 0.29 -0.17 -0.63 0.00 0.00 0.00 175.10 174.57 3n8k s ILE 125 N 1.23 2.38 0.00 2.22 1.01 0.35 -4.98 121.20 123.41 3n8k s ILE 125 Ca -0.05 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.79 3n8k s ILE 125 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3n8k s ILE 125 CO -0.02 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 3n8k s VAL 126 N 1.19 0.87 -0.11 2.92 1.01 -1.26 -0.24 120.40 124.78 3n8k s VAL 126 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3n8k s VAL 126 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3n8k s VAL 126 CO -0.08 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3n8k n GLY 127 N 2.56 0.45 1.76 4.51 0.00 -0.68 -4.84 105.19 108.94 3n8k n GLY 127 Ca -0.15 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.11 5.28 0.00 0.99 4.77 -1.22 -4.62 117.00 122.09 3n8k n LEU 128 Ca -0.01 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3n8k n LEU 128 Cb 0.14 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3n8k n LEU 128 CO 0.02 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3n8k n GLY 129 N 0.92 1.78 0.19 -0.72 0.00 -0.74 -3.30 105.19 103.32 3n8k n GLY 129 Ca 0.27 -0.61 0.06 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 0.83 0.00 -0.61 6.09 -1.89 -3.18 117.51 118.75 3n8k h ILE 130 Ca 0.00 -1.55 -0.03 0.00 -1.37 0.00 0.00 64.86 61.91 3n8k h ILE 130 Cb 0.00 1.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.25 3n8k h ILE 130 CO 0.00 0.36 -0.14 -0.61 -3.07 0.00 0.00 178.15 174.69 3n8k h GLN 131 N 0.00 0.00 -0.99 2.19 4.15 -1.97 -3.08 115.11 115.40 3n8k h GLN 131 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.60 3n8k h GLN 131 Cb 0.94 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.53 3n8k h GLN 131 CO 0.05 0.14 0.61 0.78 -1.93 0.00 0.00 178.83 178.48 3n8k h GLY 132 N 1.52 1.63 0.96 2.39 0.00 -1.64 0.77 103.07 108.70 3n8k h GLY 132 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3n8k h GLY 132 CO 0.02 -0.04 0.10 -0.97 0.00 0.00 0.00 176.54 175.65 3n8k h TYR 133 N 0.72 0.78 -0.19 5.60 -1.99 -1.79 -2.49 116.97 117.62 3n8k h TYR 133 Ca 0.56 -0.10 -0.15 0.00 2.00 0.00 0.00 58.73 61.04 3n8k h TYR 133 Cb 0.92 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 3n8k h TYR 133 CO -0.00 0.73 -0.50 -0.07 -0.00 0.00 0.00 178.16 178.31 3n8k h LEU 134 N 0.62 0.55 -0.77 3.88 3.38 -1.24 -2.57 115.31 119.16 3n8k h LEU 134 Ca 0.14 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3n8k h LEU 134 Cb 0.35 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3n8k h LEU 134 CO 0.00 0.96 -0.49 -0.07 0.09 0.00 0.00 178.44 178.93 3n8k h LEU 135 N 0.40 0.34 -1.19 1.67 3.38 -0.95 -2.54 115.31 116.42 3n8k h LEU 135 Ca 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3n8k h LEU 135 Cb 1.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3n8k h LEU 135 CO 0.09 0.78 -0.05 0.00 0.09 0.00 0.00 178.44 179.35 3n8k h ALA 136 N 1.24 1.33 -0.47 1.53 0.00 -1.24 -2.13 119.26 119.52 3n8k h ALA 136 Ca 0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3n8k h ALA 136 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3n8k h ALA 136 CO 0.08 0.45 -0.13 -0.07 0.00 0.00 0.00 179.25 179.58 3n8k h LEU 137 N 0.47 0.87 -1.19 0.00 3.38 -1.22 -2.85 115.31 114.78 3n8k h LEU 137 Ca 0.10 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3n8k h LEU 137 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3n8k h LEU 137 CO 0.02 1.01 -0.38 -0.09 0.09 0.00 0.00 178.44 179.09 3n8k h ARG 138 N 0.78 0.05 -0.15 1.13 2.43 -1.04 -1.49 114.38 116.10 3n8k h ARG 138 Ca 0.12 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3n8k h ARG 138 Cb 0.65 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3n8k h ARG 138 CO 0.05 0.42 -0.07 -0.92 -1.51 0.00 0.00 179.97 177.93 3n8k h TYR 139 N 0.04 0.35 -0.01 2.20 3.20 -1.32 -2.90 116.97 118.53 3n8k h TYR 139 Ca 0.00 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 3n8k h TYR 139 Cb 0.69 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3n8k h TYR 139 CO 0.00 0.64 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.66 3n8k h LEU 140 N -0.03 0.03 -0.92 2.82 3.38 -1.29 -0.59 115.31 118.72 3n8k h LEU 140 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3n8k h LEU 140 Cb 0.54 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3n8k h LEU 140 CO 0.02 0.45 -0.46 0.00 0.09 0.00 0.00 178.44 178.55 3n8k h ALA 141 N 1.55 1.02 0.15 1.53 0.00 -1.33 -3.10 119.26 119.08 3n8k h ALA 141 Ca -0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 3n8k h ALA 141 Cb 0.76 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3n8k h ALA 141 CO 0.06 0.57 -1.32 1.49 0.00 0.00 0.00 179.25 180.05 3n8k h GLU 142 N 0.00 0.32 -0.02 0.00 4.57 -1.19 -3.51 114.58 114.75 3n8k h GLU 142 Ca -0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3n8k h GLU 142 Cb 0.94 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3n8k h GLU 142 CO 0.06 1.25 0.00 0.72 -1.18 0.00 0.00 179.01 179.86