#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s LEU 3 N 0.00 4.30 -0.23 -1.84 2.96 -1.26 -4.93 118.68 117.68 3n8k s LEU 3 Ca 0.00 1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.96 3n8k s LEU 3 Cb 0.00 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3n8k s LEU 3 CO 0.00 -0.13 0.15 -0.63 -1.32 0.00 0.00 176.35 174.42 3n8k s ILE 4 N 0.89 5.35 -0.08 6.68 1.01 -1.26 -0.80 121.20 132.99 3n8k s ILE 4 Ca 0.37 0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.23 3n8k s ILE 4 Cb -0.17 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3n8k s ILE 4 CO 0.17 0.38 -0.22 0.68 0.00 0.00 0.00 174.94 175.95 3n8k s VAL 5 N 0.82 2.30 -0.31 2.92 -7.23 0.12 -3.96 120.40 115.06 3n8k s VAL 5 Ca 0.08 -0.96 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 3n8k s VAL 5 Cb -0.13 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 3n8k s VAL 5 CO 0.02 0.56 0.32 0.20 -0.31 0.00 0.00 175.10 175.89 3n8k s ASN 6 N 0.01 6.16 -0.38 4.85 0.01 -0.56 -1.20 114.94 123.82 3n8k s ASN 6 Ca -0.08 -0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.88 3n8k s ASN 6 Cb -0.15 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.34 3n8k s ASN 6 CO 0.05 -0.22 0.27 -0.69 -1.51 0.00 0.00 177.10 175.00 3n8k s VAL 7 N 1.95 5.18 -0.18 1.60 1.01 -0.18 0.04 120.40 129.82 3n8k s VAL 7 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3n8k s VAL 7 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3n8k s VAL 7 CO 0.11 -0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.26 3n8k s ILE 8 N 1.68 2.98 -0.10 2.22 1.01 0.41 -0.48 121.20 128.91 3n8k s ILE 8 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 3n8k s ILE 8 Cb -0.19 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3n8k s ILE 8 CO 0.10 0.48 -0.07 0.20 0.00 0.00 0.00 174.94 175.65 3n8k s ASN 9 N 1.11 4.60 0.16 3.58 0.01 0.54 -1.25 114.94 123.69 3n8k s ASN 9 Ca 0.01 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3n8k s ASN 9 Cb -0.14 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.10 3n8k s ASN 9 CO -0.03 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 3n8k n GLY 10 N 2.80 0.75 3.61 0.66 0.00 0.23 -1.86 105.19 111.38 3n8k n GLY 10 Ca -0.18 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.38 1.52 -0.51 1.61 -0.02 -1.11 -2.64 135.00 133.46 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 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.59 0.00 0.15 2.55 3.02 -1.26 -4.40 115.26 116.91 3n8k n ASN 12 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3n8k n ASN 12 Cb 0.30 -0.44 0.31 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.28 3.41 3.38 -1.87 -2.55 115.31 117.40 3n8k h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3n8k n GLY 14 N 1.22 -1.22 0.70 0.83 0.00 -1.26 -2.99 105.19 102.46 3n8k n GLY 14 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.86 1.94 -1.65 1.61 5.12 -0.96 -4.71 116.66 116.15 3n8k n ARG 15 Ca 0.03 -1.39 -0.42 0.00 -1.93 0.00 0.00 57.85 54.15 3n8k n ARG 15 Cb 0.23 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.64 3.05 0.00 0.55 4.77 -1.16 -2.28 117.00 122.58 3n8k n LEU 16 Ca 0.17 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3n8k n LEU 16 Cb 0.43 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3n8k n LEU 16 CO 0.15 -1.10 0.00 0.61 -1.33 0.00 0.00 177.39 175.72 3n8k n GLY 17 N 1.02 2.17 0.16 -0.72 0.00 -1.00 -3.85 105.19 102.97 3n8k n GLY 17 Ca 0.08 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.46 3n8k n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3n8k h ARG 18 N 0.00 0.00 -6.20 1.61 -0.00 -1.85 -3.41 114.38 104.52 3n8k h ARG 18 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.42 3n8k h ARG 18 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.94 3n8k h ARG 18 CO 0.00 0.15 0.85 0.50 -0.00 0.00 0.00 179.97 181.47 3n8k s ARG 19 N -3.16 4.26 -0.09 0.08 3.00 -0.97 -4.43 118.95 117.65 3n8k s ARG 19 Ca 0.03 1.69 -0.01 0.00 -1.00 0.00 0.00 55.73 56.44 3n8k s ARG 19 Cb 0.07 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.31 3n8k s ARG 19 CO 0.74 -0.64 0.07 0.39 0.00 0.00 0.00 175.30 175.86 3n8k n GLU 20 N 6.21 -0.19 0.21 5.12 1.02 -1.26 -4.49 120.64 127.26 3n8k n GLU 20 Ca 0.13 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.44 3n8k n GLU 20 Cb 0.45 -0.25 0.59 0.00 -0.02 0.00 0.00 31.44 32.21 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 0.73 0.10 0.00 3.49 0.11 -1.80 0.37 132.00 135.00 3n8k h PRO 21 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3n8k h PRO 21 Cb 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3n8k h PRO 21 CO 0.04 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 3n8k h ALA 22 N 1.94 1.00 0.00 -0.75 0.00 -1.89 -0.38 119.26 119.18 3n8k h ALA 22 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 3n8k h ALA 22 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3n8k h ALA 22 CO -0.00 0.00 -1.86 0.28 0.00 0.00 0.00 179.25 177.67 3n8k n VAL 23 N -2.42 0.86 0.42 0.00 0.31 -0.06 -4.80 118.33 112.64 3n8k n VAL 23 Ca 0.01 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.08 3n8k n VAL 23 Cb 0.19 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.11 0.00 0.00 3.52 4.02 -0.18 -4.42 117.16 116.99 3n8k n TYR 24 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3n8k n TYR 24 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 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 0.95 -1.14 1.17 2.72 0.00 -0.16 -4.71 105.19 104.03 3n8k n GLY 25 Ca 0.03 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.20 1.77 3.71 -0.02 0.00 -1.26 -3.99 105.19 104.21 3n8k n GLY 26 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.48 4.34 0.80 2.61 2.01 -1.26 -4.48 115.64 118.19 3n8k s THR 27 Ca 0.39 1.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.96 3n8k s THR 27 Cb 0.23 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 68.74 3n8k s THR 27 CO 0.32 0.13 1.15 0.42 -0.69 0.00 0.00 174.62 175.96 3n8k s THR 28 N 1.02 2.35 0.22 -0.82 -4.23 -1.26 -2.39 115.64 110.53 3n8k s THR 28 Ca 0.56 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3n8k s THR 28 Cb -0.26 -3.06 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 3n8k s THR 28 CO 0.29 -0.15 1.59 -0.74 -0.54 0.00 0.00 174.62 175.07 3n8k h HIS 29 N -1.05 0.72 -0.62 3.99 2.76 -1.82 -1.17 115.15 117.95 3n8k h HIS 29 Ca -0.47 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 57.50 3n8k h HIS 29 Cb 1.31 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 3n8k h HIS 29 CO 0.35 0.90 0.38 -0.44 -1.30 0.00 0.00 177.93 177.83 3n8k h ASP 30 N 0.50 0.73 -0.21 3.26 3.32 -1.93 -0.53 116.42 121.56 3n8k h ASP 30 Ca 0.04 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3n8k h ASP 30 Cb 0.90 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3n8k h ASP 30 CO 0.08 0.57 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.71 3n8k h GLU 31 N 0.84 0.60 -0.49 3.56 5.08 -1.91 -2.31 114.58 119.94 3n8k h GLU 31 Ca 0.22 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3n8k h GLU 31 Cb -0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3n8k h GLU 31 CO -0.04 0.71 0.08 1.25 -1.00 0.00 0.00 179.01 180.01 3n8k h LEU 32 N 0.55 0.77 -0.24 1.33 5.85 -0.84 -1.44 115.31 121.30 3n8k h LEU 32 Ca 0.10 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3n8k h LEU 32 Cb 0.54 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3n8k h LEU 32 CO 0.03 0.84 0.11 0.58 -0.34 0.00 0.00 178.44 179.66 3n8k h VAL 33 N 0.68 0.99 -0.82 1.05 2.07 -0.92 -1.61 116.25 117.69 3n8k h VAL 33 Ca 0.15 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3n8k h VAL 33 Cb 0.39 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3n8k h VAL 33 CO 0.01 0.04 0.38 0.00 0.02 0.00 0.00 177.57 178.03 3n8k h ALA 34 N 1.12 1.12 -0.43 1.67 0.00 -1.32 -1.06 119.26 120.36 3n8k h ALA 34 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3n8k h ALA 34 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3n8k h ALA 34 CO -0.07 0.66 -0.10 -0.07 0.00 0.00 0.00 179.25 179.67 3n8k h LEU 35 N 1.18 0.75 -0.15 0.00 3.38 -1.09 -1.94 115.31 117.44 3n8k h LEU 35 Ca 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3n8k h LEU 35 Cb 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3n8k h LEU 35 CO -0.03 0.88 -0.16 0.40 0.09 0.00 0.00 178.44 179.61 3n8k h ILE 36 N 0.69 1.35 -0.14 1.22 2.04 -0.97 -2.45 117.51 119.25 3n8k h ILE 36 Ca 0.12 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 3n8k h ILE 36 Cb 0.57 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3n8k h ILE 36 CO 0.04 0.39 -0.15 -0.33 0.00 0.00 0.00 178.15 178.10 3n8k h GLU 37 N 0.00 0.23 -0.10 2.37 5.08 -1.17 0.68 114.58 121.68 3n8k h GLU 37 Ca 0.02 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 3n8k h GLU 37 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3n8k h GLU 37 CO 0.04 0.39 -0.78 0.00 -1.00 0.00 0.00 179.01 177.66 3n8k h ARG 38 N 0.22 0.58 -0.26 2.33 3.08 -1.37 -2.40 114.38 116.56 3n8k h ARG 38 Ca 0.04 -0.49 -0.19 0.00 0.07 0.00 0.00 59.98 59.42 3n8k h ARG 38 Cb 0.40 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3n8k h ARG 38 CO 0.02 1.11 -0.58 1.49 -1.07 0.00 0.00 179.97 180.95 3n8k h GLU 39 N 0.39 0.83 -0.59 0.04 4.57 -1.08 -2.80 114.58 115.93 3n8k h GLU 39 Ca -0.05 -0.54 -0.05 0.00 -1.18 0.00 0.00 59.36 57.54 3n8k h GLU 39 Cb 1.38 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.02 3n8k h GLU 39 CO 0.15 1.17 0.16 0.00 -1.18 0.00 0.00 179.01 179.30 3n8k h ALA 40 N 0.71 1.17 -0.13 2.92 0.00 -0.90 -1.93 119.26 121.11 3n8k h ALA 40 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 40 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3n8k h ALA 40 CO 0.12 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.67 3n8k h ALA 41 N 1.30 1.31 -0.11 0.00 0.00 -1.42 0.22 119.26 120.57 3n8k h ALA 41 Ca 0.19 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3n8k h ALA 41 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3n8k h ALA 41 CO -0.00 0.47 -0.56 0.93 0.00 0.00 0.00 179.25 180.09 3n8k h GLU 42 N 0.21 0.33 -0.01 0.00 5.08 -1.15 -3.20 114.58 115.84 3n8k h GLU 42 Ca 0.03 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3n8k h GLU 42 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3n8k h GLU 42 CO 0.04 0.80 -0.28 1.28 -1.00 0.00 0.00 179.01 179.85 3n8k n LEU 43 N -3.92 0.93 -0.55 1.33 4.77 -0.77 -4.95 117.00 113.84 3n8k n LEU 43 Ca -0.02 -0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 3n8k n LEU 43 Cb 0.59 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3n8k n LEU 43 CO 0.45 0.18 -0.04 0.61 -1.33 0.00 0.00 177.39 177.26 3n8k n GLY 44 N 1.36 0.26 3.52 -0.72 0.00 -0.68 -5.00 105.19 103.93 3n8k n GLY 44 Ca 0.11 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.31 2.75 -0.28 0.99 1.43 0.69 -3.08 118.68 119.86 3n8k s LEU 45 Ca 0.02 -0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 3n8k s LEU 45 Cb -0.01 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3n8k s LEU 45 CO 0.02 -0.01 0.08 -0.75 0.23 0.00 0.00 176.35 175.92 3n8k s LYS 46 N -3.57 3.25 -0.20 1.70 2.36 0.02 -3.91 119.74 119.39 3n8k s LYS 46 Ca 0.31 -0.75 -0.08 0.00 -2.55 0.00 0.00 55.97 52.90 3n8k s LYS 46 Cb -0.04 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 33.34 3n8k s LYS 46 CO 0.16 -0.37 0.08 0.00 1.55 0.00 0.00 175.35 176.77 3n8k s ALA 47 N 1.53 3.44 -0.35 3.13 0.00 -1.26 -0.70 121.76 127.56 3n8k s ALA 47 Ca 0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3n8k s ALA 47 Cb -0.17 -2.00 0.07 0.00 0.00 0.00 0.00 23.12 21.02 3n8k s ALA 47 CO 0.03 0.09 0.09 0.08 0.00 0.00 0.00 175.76 176.05 3n8k s VAL 48 N 0.53 3.31 -0.24 0.00 1.01 -0.34 -4.90 120.40 119.77 3n8k s VAL 48 Ca 0.04 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 3n8k s VAL 48 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3n8k s VAL 48 CO 0.01 -0.31 0.20 -0.69 0.00 0.00 0.00 175.10 174.31 3n8k s VAL 49 N 1.26 5.33 0.02 2.92 1.01 -1.26 -1.01 120.40 128.67 3n8k s VAL 49 Ca -0.00 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3n8k s VAL 49 Cb -0.21 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3n8k s VAL 49 CO -0.01 0.32 -0.07 -0.13 0.00 0.00 0.00 175.10 175.21 3n8k s ARG 50 N 1.17 0.49 -0.01 2.72 0.52 0.37 -4.99 118.95 119.22 3n8k s ARG 50 Ca 0.09 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 3n8k s ARG 50 Cb -0.14 -0.35 -0.00 0.00 0.52 0.00 0.00 34.95 34.97 3n8k s ARG 50 CO 0.06 0.08 -0.08 -1.14 0.02 0.00 0.00 175.30 174.24 3n8k s GLN 51 N -0.92 0.67 -0.07 3.54 -0.44 -1.26 -0.34 119.66 120.84 3n8k s GLN 51 Ca -0.04 -0.28 -0.16 0.00 -2.50 0.00 0.00 55.36 52.38 3n8k s GLN 51 Cb -0.06 -0.64 0.03 0.00 -1.64 0.00 0.00 33.01 30.70 3n8k s GLN 51 CO 0.00 0.16 0.38 0.45 0.50 0.00 0.00 175.29 176.77 3n8k s SER 52 N -0.12 -0.31 0.00 6.67 0.15 -0.78 -4.98 113.70 114.33 3n8k s SER 52 Ca 0.02 0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.35 3n8k s SER 52 Cb -0.04 0.51 1.02 0.00 -1.71 0.00 0.00 66.02 65.80 3n8k s SER 52 CO -0.00 -0.35 1.74 0.47 1.20 0.00 0.00 173.24 176.30 3n8k n ASP 53 N 1.82 0.47 -4.63 5.45 8.00 -1.26 -2.76 116.55 123.64 3n8k n ASP 53 Ca -0.18 -0.37 -0.39 0.00 0.71 0.00 0.00 54.79 54.56 3n8k n ASP 53 Cb 0.57 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.67 6.40 0.17 -2.24 0.15 -1.26 -4.67 113.70 109.58 3n8k s SER 54 Ca 0.22 0.47 -0.14 0.00 0.70 0.00 0.00 55.95 57.20 3n8k s SER 54 Cb 0.19 -2.25 0.08 0.00 -1.71 0.00 0.00 66.02 62.33 3n8k s SER 54 CO 0.54 -0.20 1.81 -0.08 1.20 0.00 0.00 173.24 176.51 3n8k h GLU 55 N 7.85 0.57 -0.96 5.44 4.81 -2.00 -2.17 114.58 128.12 3n8k h GLU 55 Ca -0.32 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3n8k h GLU 55 Cb 1.15 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 3n8k h GLU 55 CO 0.70 0.38 0.62 0.00 -0.73 0.00 0.00 179.01 179.98 3n8k h ALA 56 N 1.21 1.28 -0.55 2.92 0.00 -1.99 -0.42 119.26 121.72 3n8k h ALA 56 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3n8k h ALA 56 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3n8k h ALA 56 CO -0.09 0.49 0.21 0.37 0.00 0.00 0.00 179.25 180.23 3n8k h GLN 57 N 1.20 0.83 -0.84 0.00 5.75 -1.91 -1.17 115.11 118.97 3n8k h GLN 57 Ca 0.39 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 3n8k h GLN 57 Cb 0.03 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3n8k h GLN 57 CO -0.13 0.73 0.43 -0.07 -2.65 0.00 0.00 178.83 177.13 3n8k h LEU 58 N 0.75 1.08 -0.79 -2.39 3.38 -0.78 -2.27 115.31 114.30 3n8k h LEU 58 Ca 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3n8k h LEU 58 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3n8k h LEU 58 CO -0.01 0.90 0.36 -0.07 0.09 0.00 0.00 178.44 179.71 3n8k h LEU 59 N 1.19 1.05 -0.40 1.67 3.38 -0.80 -1.91 115.31 119.49 3n8k h LEU 59 Ca 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3n8k h LEU 59 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3n8k h LEU 59 CO -0.04 0.90 0.21 -0.78 0.09 0.00 0.00 178.44 178.82 3n8k h ASP 60 N 1.12 0.50 -0.65 -0.43 3.58 -0.90 -0.83 116.42 118.82 3n8k h ASP 60 Ca 0.27 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 3n8k h ASP 60 Cb 0.14 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3n8k h ASP 60 CO -0.03 0.45 0.29 -0.50 -2.88 0.00 0.00 179.24 176.57 3n8k h TRP 61 N 0.51 0.95 -0.69 0.28 6.55 -1.25 -1.71 115.95 120.58 3n8k h TRP 61 Ca 0.14 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 3n8k h TRP 61 Cb 0.07 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 3n8k h TRP 61 CO -0.02 0.73 0.41 0.82 -1.05 0.00 0.00 178.44 179.32 3n8k h ILE 62 N 0.90 1.20 -0.88 1.49 1.08 -1.17 -1.46 117.51 118.67 3n8k h ILE 62 Ca 0.22 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3n8k h ILE 62 Cb 0.15 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 3n8k h ILE 62 CO -0.02 0.21 0.58 0.45 -0.69 0.00 0.00 178.15 178.68 3n8k h HIS 63 N 0.94 1.09 -0.69 1.37 3.86 -0.83 -0.68 115.15 120.22 3n8k h HIS 63 Ca 0.25 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 3n8k h HIS 63 Cb -0.01 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.06 3n8k h HIS 63 CO -0.01 0.67 0.14 1.96 0.86 0.00 0.00 177.93 181.55 3n8k h GLN 64 N 1.17 1.13 -0.34 2.45 4.20 -1.00 -1.26 115.11 121.46 3n8k h GLN 64 Ca 0.33 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3n8k h GLN 64 Cb -0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3n8k h GLN 64 CO -0.08 1.02 -0.16 0.00 -0.67 0.00 0.00 178.83 178.93 3n8k h ALA 65 N 1.07 1.09 -0.30 3.87 0.00 -0.87 -0.55 119.26 123.57 3n8k h ALA 65 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3n8k h ALA 65 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3n8k h ALA 65 CO 0.01 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 3n8k h ALA 66 N 1.27 0.41 -0.59 0.00 0.00 -0.90 -0.32 119.26 119.14 3n8k h ALA 66 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3n8k h ALA 66 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3n8k h ALA 66 CO 0.04 0.18 0.06 -0.44 0.00 0.00 0.00 179.25 179.09 3n8k h ASP 67 N 0.33 0.94 0.73 0.00 3.32 -1.06 -2.79 116.42 117.88 3n8k h ASP 67 Ca 0.08 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3n8k h ASP 67 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3n8k h ASP 67 CO 0.02 0.96 -0.18 0.00 -1.72 0.00 0.00 179.24 178.32 3n8k n ALA 68 N -2.47 2.81 -3.66 3.45 0.00 -0.23 -4.95 120.51 115.46 3n8k n ALA 68 Ca 0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 3n8k n ALA 68 Cb 0.30 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.41 -1.79 -2.71 0.00 0.00 -0.28 -5.02 120.51 109.31 3n8k n ALA 69 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 3n8k n ALA 69 Cb 0.33 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.69 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 -5.99 2.84 0.68 0.00 2.02 -0.34 -4.64 118.70 113.27 3n8k s GLU 70 Ca 0.20 -0.59 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 3n8k s GLU 70 Cb -0.10 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3n8k s GLU 70 CO 0.78 0.62 1.25 -2.14 0.02 0.00 0.00 175.26 175.80 3n8k s PRO 71 N -1.65 2.41 -0.09 0.39 0.02 -1.25 -4.65 135.00 130.18 3n8k s PRO 71 Ca 0.21 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.17 3n8k s PRO 71 Cb -0.12 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.58 3n8k s PRO 71 CO 0.12 -1.67 -0.11 0.08 -0.33 0.00 0.00 177.00 175.08 3n8k s VAL 72 N -1.65 1.16 -0.30 3.83 1.01 -0.85 -1.49 120.40 122.11 3n8k s VAL 72 Ca 0.79 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 3n8k s VAL 72 Cb -0.34 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3n8k s VAL 72 CO 0.41 0.37 0.19 -0.63 0.00 0.00 0.00 175.10 175.45 3n8k s ILE 73 N 1.02 5.12 -0.13 2.22 1.01 0.11 -0.97 121.20 129.58 3n8k s ILE 73 Ca -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3n8k s ILE 73 Cb -0.15 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3n8k s ILE 73 CO -0.01 0.15 -0.17 -0.22 0.00 0.00 0.00 174.94 174.69 3n8k s LEU 74 N 1.72 1.85 -0.37 2.97 2.96 -0.26 -0.45 118.68 127.11 3n8k s LEU 74 Ca 0.06 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3n8k s LEU 74 Cb -0.17 -1.22 0.09 0.00 0.50 0.00 0.00 46.19 45.40 3n8k s LEU 74 CO 0.10 0.03 0.12 0.21 -1.32 0.00 0.00 176.35 175.48 3n8k s ASN 75 N 1.01 5.04 0.00 3.68 3.84 -0.38 -1.37 114.94 126.76 3n8k s ASN 75 Ca -0.05 -1.89 0.31 0.00 0.21 0.00 0.00 52.86 51.44 3n8k s ASN 75 Cb -0.15 -1.75 1.63 0.00 -0.55 0.00 0.00 41.25 40.43 3n8k s ASN 75 CO -0.03 -0.44 2.08 0.00 -2.79 0.00 0.00 177.10 175.92 3n8k n ALA 76 N 4.51 2.66 -0.90 1.71 0.00 -1.26 0.75 120.51 127.98 3n8k n ALA 76 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3n8k n ALA 76 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.09 3.35 0.29 0.00 0.00 -1.26 -2.29 105.19 106.36 3n8k n GLY 77 Ca 0.21 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.25 2.00 -0.02 0.00 -1.95 -2.57 103.07 100.79 3n8k h GLY 78 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3n8k h GLY 78 CO 0.00 0.09 -0.03 1.41 0.00 0.00 0.00 176.54 178.01 3n8k h LEU 79 N 0.24 0.00 -0.96 3.11 3.38 -1.83 -2.57 115.31 116.68 3n8k h LEU 79 Ca 0.08 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.30 3n8k h LEU 79 Cb 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.65 3n8k h LEU 79 CO -0.02 0.03 0.52 0.74 0.09 0.00 0.00 178.44 179.80 3n8k h THR 80 N 0.00 0.48 -0.01 0.22 2.02 -1.56 -0.24 112.91 113.81 3n8k h THR 80 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3n8k h THR 80 Cb 0.24 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3n8k h THR 80 CO 0.00 0.09 -0.47 1.41 0.37 0.00 0.00 175.52 176.92 3n8k n HIS 81 N -4.97 0.00 0.00 3.16 8.25 -0.97 -1.65 115.22 119.04 3n8k n HIS 81 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3n8k n HIS 81 Cb 0.75 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.47 0.00 -3.31 1.59 -2.24 -0.96 -4.81 114.28 104.08 3n8k n THR 82 Ca 0.09 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.43 3n8k n THR 82 Cb 0.41 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.28 6.18 0.18 3.42 0.15 -0.14 -4.88 113.70 117.32 3n8k s SER 83 Ca 0.00 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 3n8k s SER 83 Cb 0.00 -2.22 0.07 0.00 -1.71 0.00 0.00 66.02 62.16 3n8k s SER 83 CO 0.00 -0.69 1.44 0.58 1.20 0.00 0.00 173.24 175.77 3n8k h VAL 84 N 5.77 1.39 -0.78 4.45 2.07 -1.96 -3.06 116.25 124.12 3n8k h VAL 84 Ca -0.28 -2.17 0.07 0.00 0.82 0.00 0.00 66.70 65.14 3n8k h VAL 84 Cb 1.11 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 3n8k h VAL 84 CO 0.87 0.65 0.47 0.00 0.02 0.00 0.00 177.57 179.58 3n8k h ALA 85 N 0.96 1.08 -0.33 1.67 0.00 -1.98 0.81 119.26 121.46 3n8k h ALA 85 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3n8k h ALA 85 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3n8k h ALA 85 CO 0.12 0.17 -0.31 1.25 0.00 0.00 0.00 179.25 180.48 3n8k h LEU 86 N 0.84 0.74 -0.53 0.00 5.85 -1.94 -2.38 115.31 117.89 3n8k h LEU 86 Ca 0.35 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3n8k h LEU 86 Cb 0.20 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3n8k h LEU 86 CO -0.19 1.00 0.21 -0.09 -0.34 0.00 0.00 178.44 179.04 3n8k h ARG 87 N 0.61 0.79 -0.40 1.25 2.43 -1.28 -2.20 114.38 115.58 3n8k h ARG 87 Ca 0.07 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3n8k h ARG 87 Cb 0.82 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3n8k h ARG 87 CO 0.07 0.69 0.00 -0.44 -1.51 0.00 0.00 179.97 178.78 3n8k h ASP 88 N 0.72 0.60 -0.49 -3.80 3.32 -0.73 -1.60 116.42 114.44 3n8k h ASP 88 Ca 0.18 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3n8k h ASP 88 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3n8k h ASP 88 CO -0.01 0.67 -0.12 0.00 -1.72 0.00 0.00 179.24 178.06 3n8k h ALA 89 N 1.40 0.68 0.00 3.45 0.00 -1.30 -3.15 119.26 120.34 3n8k h ALA 89 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3n8k h ALA 89 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3n8k h ALA 89 CO 0.01 0.59 -0.29 0.00 0.00 0.00 0.00 179.25 179.57 3n8k h ALA 91 N 1.71 1.00 0.00 0.00 0.00 -1.25 -2.50 119.26 118.22 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3n8k h ALA 91 CO 0.04 0.00 -0.10 -1.91 0.00 0.00 0.00 179.25 177.28 3n8k n GLU 92 N -2.98 0.13 -2.32 0.00 2.13 -1.06 -4.86 120.64 111.67 3n8k n GLU 92 Ca -0.00 0.09 -0.41 0.00 0.66 0.00 0.00 57.16 57.49 3n8k n GLU 92 Cb 0.21 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.26 3n8k n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3n8k s LEU 93 N -3.69 4.43 -0.20 4.31 1.43 -0.94 -4.86 118.68 119.16 3n8k s LEU 93 Ca 0.12 2.28 0.13 0.00 -1.03 0.00 0.00 54.13 55.63 3n8k s LEU 93 Cb 0.16 -3.60 -0.23 0.00 0.03 0.00 0.00 46.19 42.54 3n8k s LEU 93 CO 0.59 -0.44 0.07 -1.54 0.23 0.00 0.00 176.35 175.25 3n8k n SER 94 N 2.72 0.59 -4.85 2.29 3.41 -1.26 -4.95 113.62 111.56 3n8k n SER 94 Ca 0.06 0.01 -0.31 0.00 -0.26 0.00 0.00 58.87 58.37 3n8k n SER 94 Cb 0.44 0.53 0.01 0.00 -0.26 0.00 0.00 64.21 64.93 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 -2.51 2.99 0.40 7.33 0.00 -1.26 -5.00 121.76 123.71 3n8k s ALA 95 Ca -0.15 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 3n8k s ALA 95 Cb 0.07 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.97 3n8k s ALA 95 CO 0.78 -0.74 1.19 -2.30 0.00 0.00 0.00 175.76 174.68 3n8k n PRO 96 N -2.63 1.77 -4.05 0.00 -0.02 -1.26 -4.76 135.00 124.06 3n8k n PRO 96 Ca 0.07 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 3n8k n PRO 96 Cb 0.54 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.12 2.73 -0.25 2.45 2.96 -1.26 -2.00 118.68 122.19 3n8k s LEU 97 Ca 0.60 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3n8k s LEU 97 Cb -0.55 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3n8k s LEU 97 CO 0.59 -0.07 0.03 -0.63 -1.32 0.00 0.00 176.35 174.94 3n8k s ILE 98 N 1.29 3.86 -0.04 6.68 1.01 -0.15 -0.08 121.20 133.77 3n8k s ILE 98 Ca 0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 3n8k s ILE 98 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3n8k s ILE 98 CO -0.08 0.32 0.83 -0.70 0.00 0.00 0.00 174.94 175.31 3n8k s GLU 99 N 1.54 4.49 -0.05 2.79 2.12 -0.28 -1.10 118.70 128.21 3n8k s GLU 99 Ca 0.05 1.12 0.03 0.00 0.36 0.00 0.00 54.97 56.54 3n8k s GLU 99 Cb -0.15 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3n8k s GLU 99 CO 0.01 0.01 -0.15 0.08 -0.54 0.00 0.00 175.26 174.67 3n8k s VAL 100 N 0.91 1.27 -0.03 3.70 1.01 -0.47 -0.49 120.40 126.29 3n8k s VAL 100 Ca 0.44 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3n8k s VAL 100 Cb -0.19 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3n8k s VAL 100 CO 0.22 0.38 -0.15 -1.00 0.00 0.00 0.00 175.10 174.55 3n8k s HIS 101 N 0.35 1.48 0.02 5.22 3.76 0.34 -4.10 115.29 122.37 3n8k s HIS 101 Ca -0.10 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 3n8k s HIS 101 Cb -0.14 -1.00 -0.17 0.00 1.11 0.00 0.00 32.58 32.38 3n8k s HIS 101 CO 0.03 -0.13 1.35 0.82 -0.85 0.00 0.00 174.74 175.96 3n8k h ILE 102 N 5.20 0.78 -4.15 0.60 2.04 -1.86 -2.27 117.51 117.85 3n8k h ILE 102 Ca -0.33 -0.52 -0.49 0.00 1.00 0.00 0.00 64.86 64.52 3n8k h ILE 102 Cb 1.17 1.07 0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3n8k h ILE 102 CO 0.48 0.11 0.34 -0.94 0.00 0.00 0.00 178.15 178.14 3n8k s SER 103 N -5.10 6.46 -0.94 1.72 1.04 -1.26 -2.01 113.70 113.61 3n8k s SER 103 Ca -0.15 1.42 -0.24 0.00 0.48 0.00 0.00 55.95 57.47 3n8k s SER 103 Cb 0.03 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.70 3n8k s SER 103 CO 0.58 -0.66 1.66 0.21 0.98 0.00 0.00 173.24 176.02 3n8k s ASN 104 N -3.52 5.88 0.48 7.02 3.84 -1.26 -2.24 114.94 125.14 3n8k s ASN 104 Ca 0.56 -1.01 0.31 0.00 0.21 0.00 0.00 52.86 52.93 3n8k s ASN 104 Cb -0.10 -2.56 1.70 0.00 -0.55 0.00 0.00 41.25 39.73 3n8k s ASN 104 CO 0.40 -2.07 1.95 1.62 -2.79 0.00 0.00 177.10 176.21 3n8k h VAL 105 N 6.95 0.00 0.00 -5.21 3.04 -1.93 -0.29 116.25 118.82 3n8k h VAL 105 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 3n8k h VAL 105 Cb 1.02 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3n8k h VAL 105 CO 1.32 0.00 -0.57 1.41 -1.01 0.00 0.00 177.57 178.72 3n8k n HIS 106 N -2.61 0.08 -0.69 3.17 8.25 -1.26 -3.77 115.22 118.39 3n8k n HIS 106 Ca -0.02 0.02 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 3n8k n HIS 106 Cb 0.07 -0.30 0.37 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.56 3.25 -2.97 -1.41 0.00 -0.12 -4.95 120.51 112.75 3n8k n ALA 107 Ca 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3n8k n ALA 107 Cb 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.02 3.54 -2.23 0.00 1.74 -1.25 -5.07 116.66 114.42 3n8k n ARG 108 Ca 0.26 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.98 3n8k n ARG 108 Cb 0.96 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.40 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 3.40 3.58 0.33 5.56 8.01 -1.26 -4.94 118.70 133.38 3n8k s GLU 109 Ca 0.00 1.74 0.07 0.00 0.01 0.00 0.00 54.97 56.80 3n8k s GLU 109 Cb 0.00 -2.26 0.76 0.00 -4.31 0.00 0.00 34.13 28.32 3n8k s GLU 109 CO 0.00 -0.70 1.84 0.93 0.01 0.00 0.00 175.26 177.34 3n8k h GLU 110 N 1.71 0.74 0.00 1.61 4.39 -1.96 -1.85 114.58 119.23 3n8k h GLU 110 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3n8k h GLU 110 Cb 1.26 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3n8k h GLU 110 CO 0.59 0.49 0.00 1.97 -1.16 0.00 0.00 179.01 180.90 3n8k n PHE 111 N -4.61 0.25 1.30 4.33 1.16 -1.26 -1.56 117.46 117.07 3n8k n PHE 111 Ca 0.19 0.11 0.13 0.00 -1.87 0.00 0.00 57.45 56.02 3n8k n PHE 111 Cb 0.48 -0.68 0.38 0.00 -1.61 0.00 0.00 39.48 38.05 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 -1.74 1.34 -0.39 3.97 1.74 -0.69 -4.24 116.66 116.64 3n8k n ARG 112 Ca 0.01 -0.86 0.09 0.00 -0.77 0.00 0.00 57.85 56.33 3n8k n ARG 112 Cb 0.10 -1.48 0.29 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.08 2.75 -2.67 5.56 1.74 -0.60 -4.54 116.66 118.82 3n8k n ARG 113 Ca 0.15 -2.31 -0.17 0.00 -0.77 0.00 0.00 57.85 54.75 3n8k n ARG 113 Cb 0.38 -1.59 0.01 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 1.19 1.98 -1.62 -1.55 8.25 -1.26 -5.07 115.22 117.15 3n8k n HIS 114 Ca 0.21 -3.08 -0.48 0.00 -0.26 0.00 0.00 57.72 54.11 3n8k n HIS 114 Cb 0.61 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.18 2.18 0.22 0.41 2.88 -1.26 -4.85 113.62 113.02 3n8k n SER 115 Ca 0.22 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.98 3n8k n SER 115 Cb 0.72 -1.30 0.43 0.00 -0.75 0.00 0.00 64.21 63.31 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 4.64 0.00 0.00 0.66 0.05 -1.63 -3.31 116.97 117.38 3n8k h TYR 116 Ca -0.46 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.05 3n8k h TYR 116 Cb 1.30 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.00 3n8k h TYR 116 CO 0.59 0.21 -1.62 -0.07 -1.05 0.00 0.00 178.16 176.22 3n8k h LEU 117 N 0.00 0.00 -0.65 3.88 3.38 -1.90 -3.39 115.31 116.62 3n8k h LEU 117 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3n8k h LEU 117 Cb 0.79 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 3n8k h LEU 117 CO 0.03 0.95 0.18 0.28 0.09 0.00 0.00 178.44 179.96 3n8k h SER 118 N 0.00 0.08 0.42 -0.43 0.02 -1.93 -1.51 113.55 110.19 3n8k h SER 118 Ca -0.25 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3n8k h SER 118 Cb 1.94 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.62 3n8k h SER 118 CO 0.08 0.03 -0.12 -0.65 -1.14 0.00 0.00 176.83 175.03 3n8k h PRO 119 N 0.31 0.00 -0.02 3.45 0.11 -1.78 -2.85 132.00 131.21 3n8k h PRO 119 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3n8k h PRO 119 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3n8k h PRO 119 CO -0.41 0.12 -0.12 0.44 -0.21 0.00 0.00 178.00 177.82 3n8k n ILE 120 N -3.60 0.00 -2.16 4.15 -6.64 -0.91 -4.98 119.36 105.22 3n8k n ILE 120 Ca -0.02 -0.44 -0.30 0.00 -1.77 0.00 0.00 62.75 60.22 3n8k n ILE 120 Cb 0.25 1.32 -0.00 0.00 -1.44 0.00 0.00 39.64 39.77 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 -1.69 3.16 0.00 -1.28 0.00 -0.62 -4.91 121.76 116.44 3n8k s ALA 121 Ca 0.19 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 3n8k s ALA 121 Cb 0.15 -2.97 -0.18 0.00 0.00 0.00 0.00 23.12 20.11 3n8k s ALA 121 CO 0.30 -0.51 1.30 1.15 0.00 0.00 0.00 175.76 178.01 3n8k h THR 122 N 0.08 1.09 -3.69 0.00 2.02 -0.79 -3.48 112.91 108.13 3n8k h THR 122 Ca -0.45 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 3n8k h THR 122 Cb 1.19 1.60 -0.10 0.00 -1.74 0.00 0.00 68.15 69.11 3n8k h THR 122 CO 0.62 0.20 -0.14 -0.83 0.37 0.00 0.00 175.52 175.73 3n8k s GLY 123 N -2.90 0.55 -0.04 2.16 0.00 -1.17 -5.04 107.32 100.87 3n8k s GLY 123 Ca -0.15 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3n8k s GLY 123 CO 0.62 -0.65 -0.04 0.14 0.00 0.00 0.00 173.10 173.17 3n8k s VAL 124 N -4.02 0.45 -0.17 1.40 1.01 -1.26 -1.12 120.40 116.70 3n8k s VAL 124 Ca 0.22 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3n8k s VAL 124 Cb -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.90 3n8k s VAL 124 CO 0.08 0.20 -0.18 -0.63 0.00 0.00 0.00 175.10 174.57 3n8k s ILE 125 N 0.87 2.29 0.01 2.22 1.01 0.35 -4.98 121.20 122.97 3n8k s ILE 125 Ca -0.11 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3n8k s ILE 125 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3n8k s ILE 125 CO -0.00 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 3n8k s VAL 126 N 1.09 0.80 -0.04 2.92 1.01 -1.26 -0.50 120.40 124.41 3n8k s VAL 126 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3n8k s VAL 126 Cb -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.53 3n8k s VAL 126 CO -0.07 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3n8k n GLY 127 N 2.50 0.40 1.50 4.51 0.00 -0.85 -4.82 105.19 108.42 3n8k n GLY 127 Ca -0.15 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 4.60 0.00 0.99 4.77 -1.22 -4.60 117.00 121.50 3n8k n LEU 128 Ca -0.00 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 3n8k n LEU 128 Cb 0.13 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3n8k n LEU 128 CO 0.01 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3n8k n GLY 129 N 1.04 0.49 0.25 -0.72 0.00 -0.85 -3.52 105.19 101.88 3n8k n GLY 129 Ca 0.25 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.49 3n8k n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n8k h ILE 130 N 0.00 1.13 -0.68 -0.61 5.03 -1.90 -2.62 117.51 117.87 3n8k h ILE 130 Ca 0.00 -0.56 0.18 0.00 -0.12 0.00 0.00 64.86 64.35 3n8k h ILE 130 Cb 0.00 1.10 -0.03 0.00 -3.03 0.00 0.00 36.82 34.86 3n8k h ILE 130 CO 0.00 0.18 0.47 -0.61 -0.68 0.00 0.00 178.15 177.51 3n8k h GLN 131 N 0.21 0.12 -0.94 2.37 5.75 -1.98 -2.01 115.11 118.62 3n8k h GLN 131 Ca 0.05 -0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.74 3n8k h GLN 131 Cb 0.25 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.70 3n8k h GLN 131 CO 0.01 0.08 0.61 0.78 -2.65 0.00 0.00 178.83 177.66 3n8k h GLY 132 N 0.12 1.08 0.93 2.39 0.00 -1.58 0.49 103.07 106.50 3n8k h GLY 132 Ca 0.33 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3n8k h GLY 132 CO -0.04 -0.02 -0.13 -0.97 0.00 0.00 0.00 176.54 175.38 3n8k h TYR 133 N 0.48 0.75 -0.12 5.60 -1.99 -1.58 -2.45 116.97 117.66 3n8k h TYR 133 Ca 0.50 -0.18 -0.15 0.00 2.00 0.00 0.00 58.73 60.91 3n8k h TYR 133 Cb 1.14 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 3n8k h TYR 133 CO -0.00 0.86 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.40 3n8k h LEU 134 N 0.43 0.41 -0.51 3.88 3.38 -1.27 -2.06 115.31 119.56 3n8k h LEU 134 Ca 0.08 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3n8k h LEU 134 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3n8k h LEU 134 CO 0.04 0.88 -0.30 -0.07 0.09 0.00 0.00 178.44 179.08 3n8k h LEU 135 N 0.28 0.92 -1.19 1.67 3.38 -1.02 -2.18 115.31 117.18 3n8k h LEU 135 Ca 0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3n8k h LEU 135 Cb 1.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3n8k h LEU 135 CO 0.09 1.15 0.20 0.00 0.09 0.00 0.00 178.44 179.98 3n8k h ALA 136 N 0.90 1.36 -0.59 1.53 0.00 -1.27 -2.00 119.26 119.19 3n8k h ALA 136 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 136 Cb 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3n8k h ALA 136 CO 0.08 0.48 0.18 -0.07 0.00 0.00 0.00 179.25 179.92 3n8k h LEU 137 N 0.76 0.87 -0.85 0.00 3.38 -1.17 -2.68 115.31 115.62 3n8k h LEU 137 Ca 0.18 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3n8k h LEU 137 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3n8k h LEU 137 CO -0.02 0.85 -0.04 -0.09 0.09 0.00 0.00 178.44 179.23 3n8k h ARG 138 N 0.84 0.81 -0.17 1.13 2.43 -1.00 -1.37 114.38 117.05 3n8k h ARG 138 Ca 0.19 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3n8k h ARG 138 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3n8k h ARG 138 CO -0.01 0.84 0.07 -0.92 -1.51 0.00 0.00 179.97 178.45 3n8k h TYR 139 N 0.75 0.14 0.00 2.20 3.20 -1.28 -2.73 116.97 119.24 3n8k h TYR 139 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3n8k h TYR 139 Cb 0.51 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3n8k h TYR 139 CO 0.03 0.08 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.32 3n8k h LEU 140 N 0.17 0.00 -0.71 2.82 3.38 -1.20 -2.28 115.31 117.49 3n8k h LEU 140 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3n8k h LEU 140 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3n8k h LEU 140 CO -0.06 0.23 -0.50 0.00 0.09 0.00 0.00 178.44 178.20 3n8k h ALA 141 N 1.77 0.89 0.00 1.53 0.00 -1.03 -1.64 119.26 120.78 3n8k h ALA 141 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3n8k h ALA 141 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3n8k h ALA 141 CO 0.03 0.67 -0.79 0.93 0.00 0.00 0.00 179.25 180.09 3n8k h GLU 142 N 0.29 0.00 0.00 0.00 3.07 -1.17 -3.41 114.58 113.36 3n8k h GLU 142 Ca 0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 3n8k h GLU 142 Cb 0.98 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3n8k h GLU 142 CO 0.08 0.00 -1.11 0.72 -1.40 0.00 0.00 179.01 177.31 3n8k n HIS 143 N -2.46 0.00 0.95 4.33 8.25 -0.90 -5.12 115.22 120.28 3n8k n HIS 143 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 3n8k n HIS 143 Cb 0.50 -0.45 0.10 0.00 1.12 0.00 0.00 29.99 31.25 3n8k n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31