#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 5.50 -0.13 -1.84 1.43 -1.26 -5.01 118.68 117.37 3n8k s LEU 3 Ca 0.00 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.63 3n8k s LEU 3 Cb 0.00 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 3n8k s LEU 3 CO 0.00 -0.68 0.68 -0.63 0.23 0.00 0.00 176.35 175.94 3n8k s ILE 4 N 1.81 5.03 -0.13 -0.59 1.01 -1.26 -1.85 121.20 125.22 3n8k s ILE 4 Ca 0.06 1.34 -0.00 0.00 0.00 0.00 0.00 60.65 62.05 3n8k s ILE 4 Cb -0.23 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 3n8k s ILE 4 CO 0.08 0.18 -0.12 -0.69 0.00 0.00 0.00 174.94 174.39 3n8k s VAL 5 N 1.32 3.13 -0.34 2.92 1.01 0.08 -3.97 120.40 124.55 3n8k s VAL 5 Ca 0.34 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3n8k s VAL 5 Cb -0.17 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3n8k s VAL 5 CO 0.14 0.52 0.28 0.20 0.00 0.00 0.00 175.10 176.24 3n8k s ASN 6 N 0.31 6.10 -0.36 3.32 0.01 -0.75 -0.49 114.94 123.07 3n8k s ASN 6 Ca -0.10 -0.33 -0.15 0.00 -0.71 0.00 0.00 52.86 51.57 3n8k s ASN 6 Cb -0.16 -2.16 -0.00 0.00 0.41 0.00 0.00 41.25 39.34 3n8k s ASN 6 CO 0.05 -0.26 0.33 -0.69 -1.51 0.00 0.00 177.10 175.03 3n8k s VAL 7 N 1.82 5.20 -0.20 1.60 1.01 0.77 -0.56 120.40 130.04 3n8k s VAL 7 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3n8k s VAL 7 Cb -0.17 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3n8k s VAL 7 CO 0.11 -0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 174.30 3n8k s ILE 8 N 1.91 2.68 -0.11 2.22 1.01 0.52 -0.69 121.20 128.73 3n8k s ILE 8 Ca 0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3n8k s ILE 8 Cb -0.17 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3n8k s ILE 8 CO 0.11 0.48 -0.02 0.20 0.00 0.00 0.00 174.94 175.71 3n8k s ASN 9 N 1.38 5.00 0.00 3.58 0.01 0.53 -1.14 114.94 124.29 3n8k s ASN 9 Ca 0.05 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 3n8k s ASN 9 Cb -0.14 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.00 3n8k s ASN 9 CO -0.08 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 3n8k n GLY 10 N 2.64 1.37 3.61 0.66 0.00 0.15 -1.69 105.19 111.93 3n8k n GLY 10 Ca -0.18 -1.95 -0.47 0.00 0.00 0.00 0.00 46.02 43.42 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 0.00 1.50 -0.60 1.61 -0.02 -1.15 -2.57 135.00 133.76 3n8k n PRO 11 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3n8k n PRO 11 Cb 0.00 -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 2.02 0.00 0.07 2.55 3.02 -1.26 -4.42 115.26 117.25 3n8k n ASN 12 Ca 0.13 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 3n8k n ASN 12 Cb 0.27 -0.64 0.45 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.58 0.00 3.41 4.77 -1.06 -2.33 117.00 122.36 3n8k n LEU 13 Ca 0.00 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3n8k n LEU 13 Cb 0.00 -0.36 0.50 0.00 -2.33 0.00 0.00 43.42 41.24 3n8k n LEU 13 CO 0.00 -0.12 0.87 0.61 -1.33 0.00 0.00 177.39 177.42 3n8k n GLY 14 N 1.37 -1.28 0.72 -0.72 0.00 -1.26 -3.21 105.19 100.80 3n8k n GLY 14 Ca 0.06 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.48 1.98 -1.61 1.61 5.12 -0.99 -4.70 116.66 116.59 3n8k n ARG 15 Ca 0.06 -1.44 -0.44 0.00 -1.93 0.00 0.00 57.85 54.10 3n8k n ARG 15 Cb 0.27 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 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 0.70 2.17 0.00 0.55 4.77 -1.20 -2.50 117.00 121.49 3n8k n LEU 16 Ca 0.17 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3n8k n LEU 16 Cb 0.45 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 3n8k n LEU 16 CO 0.15 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 175.56 3n8k n GLY 17 N 1.14 2.20 0.12 -0.72 0.00 -0.87 -3.63 105.19 103.42 3n8k n GLY 17 Ca 0.09 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -6.38 1.61 -0.00 -1.86 -3.41 114.38 104.34 3n8k h ARG 18 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 59.41 3n8k h ARG 18 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 29.93 3n8k h ARG 18 CO 0.00 0.00 1.11 0.50 -0.00 0.00 0.00 179.97 181.58 3n8k s ARG 19 N -3.32 3.65 -0.44 0.08 3.52 -1.04 -4.32 118.95 117.07 3n8k s ARG 19 Ca 0.01 1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 56.89 3n8k s ARG 19 Cb 0.10 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3n8k s ARG 19 CO 0.77 -1.47 0.31 0.39 -0.81 0.00 0.00 175.30 174.49 3n8k n GLU 20 N 7.90 -0.79 0.14 5.12 1.02 -1.26 -4.47 120.64 128.30 3n8k n GLU 20 Ca 0.18 0.36 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 3n8k n GLU 20 Cb 0.47 -1.13 0.65 0.00 -0.02 0.00 0.00 31.44 31.41 3n8k n GLU 20 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3n8k h PRO 21 N 0.32 0.03 0.00 3.49 0.13 -1.78 0.11 132.00 134.30 3n8k h PRO 21 Ca -0.34 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3n8k h PRO 21 Cb 0.73 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3n8k h PRO 21 CO 0.19 0.02 -0.16 0.00 -0.23 0.00 0.00 178.00 177.82 3n8k h ALA 22 N 1.88 1.25 0.02 -0.56 0.00 -1.86 -0.44 119.26 119.55 3n8k h ALA 22 Ca 0.11 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 22 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3n8k h ALA 22 CO -0.00 0.20 -2.14 0.28 0.00 0.00 0.00 179.25 177.58 3n8k n VAL 23 N -3.63 1.57 0.47 0.00 0.31 0.29 -4.71 118.33 112.62 3n8k n VAL 23 Ca -0.01 -0.40 0.05 0.00 -0.01 0.00 0.00 64.34 63.97 3n8k n VAL 23 Cb 0.29 -1.77 0.03 0.00 -0.91 0.00 0.00 33.84 31.47 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 -3.90 0.00 0.00 3.52 4.02 -0.56 -4.45 117.16 115.78 3n8k n TYR 24 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3n8k n TYR 24 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 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 0.75 -0.81 1.36 2.72 0.00 -0.18 -4.70 105.19 104.33 3n8k n GLY 25 Ca 0.06 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.87 2.78 3.71 -0.02 0.00 -1.26 -4.17 105.19 105.36 3n8k n GLY 26 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.58 4.95 0.81 2.61 2.01 -1.26 -4.58 115.64 118.60 3n8k s THR 27 Ca 0.46 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 64.09 3n8k s THR 27 Cb 0.28 -4.18 0.08 0.00 0.01 0.00 0.00 72.50 68.69 3n8k s THR 27 CO 0.25 0.18 1.12 0.42 -0.69 0.00 0.00 174.62 175.90 3n8k s THR 28 N 1.06 2.76 0.23 -0.82 -4.23 -1.26 -2.04 115.64 111.35 3n8k s THR 28 Ca 0.44 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 3n8k s THR 28 Cb -0.19 -3.07 -0.00 0.00 1.34 0.00 0.00 72.50 70.58 3n8k s THR 28 CO 0.22 -0.32 1.60 -0.74 -0.54 0.00 0.00 174.62 174.83 3n8k h HIS 29 N -1.11 0.63 -0.72 3.99 2.76 -1.83 -1.82 115.15 117.04 3n8k h HIS 29 Ca -0.47 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 57.45 3n8k h HIS 29 Cb 1.29 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.08 3n8k h HIS 29 CO 0.41 0.86 0.20 -0.44 -1.30 0.00 0.00 177.93 177.66 3n8k h ASP 30 N 0.44 1.08 0.02 3.26 3.32 -1.93 -1.07 116.42 121.53 3n8k h ASP 30 Ca 0.04 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3n8k h ASP 30 Cb 0.90 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3n8k h ASP 30 CO 0.08 1.01 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.98 3n8k h GLU 31 N 1.08 0.42 -0.24 3.56 5.08 -1.93 -2.67 114.58 119.88 3n8k h GLU 31 Ca 0.23 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3n8k h GLU 31 Cb 0.34 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3n8k h GLU 31 CO -0.00 0.68 0.04 1.25 -1.00 0.00 0.00 179.01 179.98 3n8k h LEU 32 N 0.36 0.37 -0.41 1.33 5.85 -0.98 -1.85 115.31 119.98 3n8k h LEU 32 Ca 0.05 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3n8k h LEU 32 Cb 0.71 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 3n8k h LEU 32 CO 0.05 0.53 0.06 0.58 -0.34 0.00 0.00 178.44 179.32 3n8k h VAL 33 N 0.20 0.75 -0.86 1.05 2.07 -1.13 -0.55 116.25 117.79 3n8k h VAL 33 Ca 0.07 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3n8k h VAL 33 Cb 0.31 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3n8k h VAL 33 CO 0.00 0.03 0.46 0.00 0.02 0.00 0.00 177.57 178.09 3n8k h ALA 34 N 1.33 1.20 -0.33 1.67 0.00 -1.40 -1.72 119.26 120.01 3n8k h ALA 34 Ca 0.20 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 34 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3n8k h ALA 34 CO -0.29 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.47 3n8k h LEU 35 N 1.20 0.63 -0.10 0.00 3.38 -0.79 -2.40 115.31 117.23 3n8k h LEU 35 Ca 0.30 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3n8k h LEU 35 Cb 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3n8k h LEU 35 CO -0.05 0.83 0.03 0.40 0.09 0.00 0.00 178.44 179.74 3n8k h ILE 36 N 0.41 1.19 -0.75 1.22 2.04 -0.97 -1.48 117.51 119.16 3n8k h ILE 36 Ca 0.09 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.40 3n8k h ILE 36 Cb 0.55 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3n8k h ILE 36 CO 0.03 0.17 0.48 -0.33 0.00 0.00 0.00 178.15 178.50 3n8k h GLU 37 N -0.04 0.92 -0.42 2.37 5.08 -1.37 0.80 114.58 121.92 3n8k h GLU 37 Ca 0.03 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3n8k h GLU 37 Cb 0.24 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3n8k h GLU 37 CO -0.00 0.61 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.45 3n8k h ARG 38 N 0.94 0.79 -0.66 2.33 2.43 -1.38 -1.79 114.38 117.04 3n8k h ARG 38 Ca 0.30 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3n8k h ARG 38 Cb -0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3n8k h ARG 38 CO -0.10 0.90 0.09 1.49 -1.51 0.00 0.00 179.97 180.83 3n8k h GLU 39 N 0.61 1.11 -0.66 0.20 4.57 -0.96 -2.78 114.58 116.67 3n8k h GLU 39 Ca 0.11 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 3n8k h GLU 39 Cb 0.59 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3n8k h GLU 39 CO 0.04 1.03 0.29 0.00 -1.18 0.00 0.00 179.01 179.19 3n8k h ALA 40 N 1.05 1.28 -0.39 2.92 0.00 -0.74 -2.78 119.26 120.60 3n8k h ALA 40 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3n8k h ALA 40 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3n8k h ALA 40 CO 0.02 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.96 3n8k h ALA 41 N 1.38 0.51 0.00 0.00 0.00 -1.11 0.23 119.26 120.27 3n8k h ALA 41 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3n8k h ALA 41 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n8k h ALA 41 CO -0.03 0.13 -0.11 0.93 0.00 0.00 0.00 179.25 180.18 3n8k h GLU 42 N 0.49 0.00 -0.00 0.00 3.07 -1.37 -2.51 114.58 114.26 3n8k h GLU 42 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3n8k h GLU 42 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3n8k h GLU 42 CO -0.01 0.11 -0.39 1.28 -1.40 0.00 0.00 179.01 178.60 3n8k n LEU 43 N -4.04 0.76 -0.09 1.33 4.77 -1.04 -4.95 117.00 113.73 3n8k n LEU 43 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3n8k n LEU 43 Cb 0.19 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3n8k n LEU 43 CO 0.32 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3n8k n GLY 44 N 1.42 0.67 3.43 -0.72 0.00 -0.86 -4.95 105.19 104.18 3n8k n GLY 44 Ca 0.09 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.18 2.56 -0.25 0.99 1.43 0.75 -4.65 118.68 119.33 3n8k s LEU 45 Ca 0.00 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 51.98 3n8k s LEU 45 Cb 0.00 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.44 3n8k s LEU 45 CO 0.00 -0.18 -0.05 -0.75 0.23 0.00 0.00 176.35 175.59 3n8k s LYS 46 N -3.64 2.93 -0.20 1.70 2.20 -0.77 -3.55 119.74 118.41 3n8k s LYS 46 Ca 0.28 -0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 54.83 3n8k s LYS 46 Cb 0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 3n8k s LYS 46 CO 0.12 -0.37 0.32 0.00 -0.36 0.00 0.00 175.35 175.06 3n8k s ALA 47 N 1.35 3.58 -0.42 3.13 0.00 -1.26 -0.74 121.76 127.40 3n8k s ALA 47 Ca 0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 3n8k s ALA 47 Cb -0.16 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.52 3n8k s ALA 47 CO -0.04 -0.17 0.27 0.08 0.00 0.00 0.00 175.76 175.90 3n8k s VAL 48 N 1.02 4.47 -0.26 0.00 1.01 0.36 -4.86 120.40 122.14 3n8k s VAL 48 Ca 0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 3n8k s VAL 48 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3n8k s VAL 48 CO 0.06 -0.45 0.17 -0.69 0.00 0.00 0.00 175.10 174.19 3n8k s VAL 49 N 1.49 5.24 0.01 2.92 1.01 -1.26 -0.16 120.40 129.65 3n8k s VAL 49 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3n8k s VAL 49 Cb -0.22 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3n8k s VAL 49 CO 0.04 0.29 -0.05 -0.13 0.00 0.00 0.00 175.10 175.25 3n8k s ARG 50 N 1.52 0.36 -0.02 2.72 0.52 0.13 -4.99 118.95 119.19 3n8k s ARG 50 Ca 0.07 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 3n8k s ARG 50 Cb -0.15 -0.26 -0.00 0.00 0.52 0.00 0.00 34.95 35.05 3n8k s ARG 50 CO 0.08 0.06 -0.10 -1.14 0.02 0.00 0.00 175.30 174.22 3n8k s GLN 51 N -0.55 0.94 -0.09 3.54 -0.44 -1.26 -0.35 119.66 121.45 3n8k s GLN 51 Ca -0.03 -0.36 -0.14 0.00 -2.50 0.00 0.00 55.36 52.33 3n8k s GLN 51 Cb -0.04 -0.89 0.03 0.00 -1.64 0.00 0.00 33.01 30.47 3n8k s GLN 51 CO -0.00 0.19 0.37 0.45 0.50 0.00 0.00 175.29 176.79 3n8k s SER 52 N -0.07 -0.33 0.00 6.67 0.15 -0.68 -4.98 113.70 114.46 3n8k s SER 52 Ca 0.01 0.52 0.28 0.00 0.70 0.00 0.00 55.95 57.46 3n8k s SER 52 Cb -0.06 0.60 0.99 0.00 -1.71 0.00 0.00 66.02 65.84 3n8k s SER 52 CO 0.00 -0.26 1.72 0.47 1.20 0.00 0.00 173.24 176.37 3n8k n ASP 53 N 2.24 0.45 -4.64 5.45 8.00 -1.26 -2.94 116.55 123.84 3n8k n ASP 53 Ca -0.16 -0.31 -0.39 0.00 0.71 0.00 0.00 54.79 54.63 3n8k n ASP 53 Cb 0.57 -0.05 -0.07 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 -2.72 6.45 0.19 -2.24 0.15 -1.26 -4.67 113.70 109.59 3n8k s SER 54 Ca 0.21 0.53 -0.13 0.00 0.70 0.00 0.00 55.95 57.26 3n8k s SER 54 Cb 0.19 -2.26 0.10 0.00 -1.71 0.00 0.00 66.02 62.33 3n8k s SER 54 CO 0.55 -0.19 1.85 -0.08 1.20 0.00 0.00 173.24 176.57 3n8k h GLU 55 N 7.72 0.80 -0.98 5.44 4.81 -1.99 -1.90 114.58 128.48 3n8k h GLU 55 Ca -0.32 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3n8k h GLU 55 Cb 1.15 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 3n8k h GLU 55 CO 0.71 0.53 0.65 0.00 -0.73 0.00 0.00 179.01 180.17 3n8k h ALA 56 N 1.22 1.33 -0.62 2.92 0.00 -1.99 0.03 119.26 122.14 3n8k h ALA 56 Ca 0.22 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3n8k h ALA 56 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 3n8k h ALA 56 CO -0.05 0.61 0.02 0.37 0.00 0.00 0.00 179.25 180.20 3n8k h GLN 57 N 1.29 1.08 -0.58 0.00 5.75 -1.91 -2.02 115.11 118.73 3n8k h GLN 57 Ca 0.37 -0.33 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 3n8k h GLN 57 Cb -0.09 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 3n8k h GLN 57 CO -0.10 1.04 0.06 -0.07 -2.65 0.00 0.00 178.83 177.11 3n8k h LEU 58 N 0.98 0.91 -0.82 -2.39 3.38 -0.64 -2.51 115.31 114.22 3n8k h LEU 58 Ca 0.18 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3n8k h LEU 58 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3n8k h LEU 58 CO 0.03 0.93 -0.01 -0.07 0.09 0.00 0.00 178.44 179.41 3n8k h LEU 59 N 0.89 0.84 -0.45 1.67 3.38 -0.82 -2.00 115.31 118.82 3n8k h LEU 59 Ca 0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3n8k h LEU 59 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3n8k h LEU 59 CO 0.01 0.91 0.11 -0.78 0.09 0.00 0.00 178.44 178.78 3n8k h ASP 60 N 0.81 0.69 -0.54 -0.43 3.58 -1.17 -0.56 116.42 118.79 3n8k h ASP 60 Ca 0.15 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 3n8k h ASP 60 Cb 0.49 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 3n8k h ASP 60 CO 0.02 0.75 0.19 -0.50 -2.88 0.00 0.00 179.24 176.82 3n8k h TRP 61 N 0.60 0.90 -0.32 0.28 6.55 -1.32 -1.26 115.95 121.38 3n8k h TRP 61 Ca 0.14 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.86 3n8k h TRP 61 Cb 0.33 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 3n8k h TRP 61 CO 0.02 0.72 -0.02 0.82 -1.05 0.00 0.00 178.44 178.93 3n8k h ILE 62 N 0.86 1.26 -0.52 1.49 1.08 -1.14 -2.17 117.51 118.38 3n8k h ILE 62 Ca 0.20 -1.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.71 3n8k h ILE 62 Cb 0.24 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 3n8k h ILE 62 CO -0.01 0.32 0.27 0.45 -0.69 0.00 0.00 178.15 178.49 3n8k h HIS 63 N 0.37 0.49 -0.67 1.37 3.86 -0.80 -0.87 115.15 118.91 3n8k h HIS 63 Ca 0.09 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3n8k h HIS 63 Cb 0.47 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3n8k h HIS 63 CO 0.04 0.24 0.32 1.96 0.86 0.00 0.00 177.93 181.35 3n8k h GLN 64 N 0.52 0.96 -0.11 2.45 4.20 -1.19 -1.72 115.11 120.21 3n8k h GLN 64 Ca 0.23 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 3n8k h GLN 64 Cb 0.13 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3n8k h GLN 64 CO -0.16 0.76 -0.32 0.00 -0.67 0.00 0.00 178.83 178.44 3n8k h ALA 65 N 1.15 1.26 -0.33 3.87 0.00 -1.05 -1.36 119.26 122.79 3n8k h ALA 65 Ca 0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3n8k h ALA 65 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3n8k h ALA 65 CO -0.03 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 3n8k h ALA 66 N 1.48 0.47 -0.19 0.00 0.00 -0.82 -0.30 119.26 119.90 3n8k h ALA 66 Ca 0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3n8k h ALA 66 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3n8k h ALA 66 CO 0.05 0.41 -0.33 -0.44 0.00 0.00 0.00 179.25 178.94 3n8k h ASP 67 N 0.48 0.40 0.17 0.00 3.32 -1.11 -2.84 116.42 116.83 3n8k h ASP 67 Ca 0.07 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3n8k h ASP 67 Cb 0.73 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3n8k h ASP 67 CO 0.05 0.71 -0.11 0.00 -1.72 0.00 0.00 179.24 178.17 3n8k n ALA 68 N -2.48 2.79 -3.91 3.45 0.00 -0.53 -4.95 120.51 114.87 3n8k n ALA 68 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 3n8k n ALA 68 Cb 0.44 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.34 -2.82 0.00 0.00 -0.64 -4.98 120.51 110.22 3n8k n ALA 69 Ca 0.16 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 3n8k n ALA 69 Cb 0.31 -4.25 -0.05 0.00 0.00 0.00 0.00 19.45 15.45 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 -6.59 3.52 0.70 0.00 2.02 -0.22 -4.64 118.70 113.49 3n8k s GLU 70 Ca 0.61 -0.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.32 3n8k s GLU 70 Cb -0.31 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 30.81 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 -1.47 2.29 -0.08 0.39 0.02 -1.25 -4.67 135.00 130.22 3n8k s PRO 71 Ca 0.22 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3n8k s PRO 71 Cb -0.13 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.58 3n8k s PRO 71 CO 0.12 -1.76 -0.07 0.08 -0.33 0.00 0.00 177.00 175.05 3n8k s VAL 72 N -1.72 0.81 -0.31 3.83 1.01 -0.76 -1.82 120.40 121.44 3n8k s VAL 72 Ca 0.78 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 3n8k s VAL 72 Cb -0.33 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3n8k s VAL 72 CO 0.43 0.31 0.19 -0.63 0.00 0.00 0.00 175.10 175.40 3n8k s ILE 73 N 1.32 4.98 -0.15 2.22 1.01 0.27 -0.44 121.20 130.42 3n8k s ILE 73 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3n8k s ILE 73 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.86 3n8k s ILE 73 CO -0.03 0.09 -0.14 -0.22 0.00 0.00 0.00 174.94 174.65 3n8k s LEU 74 N 1.68 1.65 -0.43 2.97 2.96 0.04 -0.36 118.68 127.20 3n8k s LEU 74 Ca 0.06 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 3n8k s LEU 74 Cb -0.17 -1.16 0.11 0.00 0.50 0.00 0.00 46.19 45.48 3n8k s LEU 74 CO 0.09 -0.06 0.25 0.21 -1.32 0.00 0.00 176.35 175.52 3n8k s ASN 75 N 1.49 5.39 0.00 3.68 3.84 -0.30 -1.74 114.94 127.31 3n8k s ASN 75 Ca 0.05 -2.02 0.30 0.00 0.21 0.00 0.00 52.86 51.40 3n8k s ASN 75 Cb -0.13 -1.88 1.43 0.00 -0.55 0.00 0.00 41.25 40.12 3n8k s ASN 75 CO -0.10 -0.58 1.98 0.00 -2.79 0.00 0.00 177.10 175.60 3n8k n ALA 76 N 4.66 2.65 -0.72 1.71 0.00 -1.26 0.30 120.51 127.84 3n8k n ALA 76 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3n8k n ALA 76 Cb 0.41 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.23 2.51 0.24 0.00 0.00 -1.26 -2.73 105.19 105.18 3n8k n GLY 77 Ca 0.16 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.03 2.00 -0.02 0.00 -1.95 -2.64 103.07 100.49 3n8k h GLY 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3n8k h GLY 78 CO 0.00 0.01 0.00 1.41 0.00 0.00 0.00 176.54 177.96 3n8k h LEU 79 N 0.02 0.00 -1.04 3.11 3.38 -1.89 -2.67 115.31 116.23 3n8k h LEU 79 Ca 0.01 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3n8k h LEU 79 Cb 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 3n8k h LEU 79 CO 0.01 0.00 0.62 0.74 0.09 0.00 0.00 178.44 179.90 3n8k h THR 80 N 0.00 0.77 -0.01 0.22 2.02 -1.59 -0.63 112.91 113.68 3n8k h THR 80 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3n8k h THR 80 Cb 0.37 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3n8k h THR 80 CO 0.00 0.15 -0.32 1.41 0.37 0.00 0.00 175.52 177.13 3n8k n HIS 81 N -4.71 0.00 0.00 3.16 8.25 -1.01 -1.43 115.22 119.49 3n8k n HIS 81 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3n8k n HIS 81 Cb 0.51 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.20 0.00 -3.08 1.59 -2.24 -1.03 -4.79 114.28 104.52 3n8k n THR 82 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3n8k n THR 82 Cb 0.42 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.93 6.28 0.20 3.42 0.15 -0.27 -4.88 113.70 116.66 3n8k s SER 83 Ca 0.00 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.06 3n8k s SER 83 Cb 0.00 -2.33 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3n8k s SER 83 CO 0.00 -0.92 1.48 0.58 1.20 0.00 0.00 173.24 175.59 3n8k h VAL 84 N 5.90 1.41 -0.71 4.45 2.07 -1.96 -3.13 116.25 124.27 3n8k h VAL 84 Ca -0.27 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.12 3n8k h VAL 84 Cb 1.09 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 3n8k h VAL 84 CO 0.96 0.64 0.46 0.00 0.02 0.00 0.00 177.57 179.65 3n8k h ALA 85 N 1.07 0.92 -0.31 1.67 0.00 -1.98 0.80 119.26 121.43 3n8k h ALA 85 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3n8k h ALA 85 Cb 1.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3n8k h ALA 85 CO 0.11 0.27 -0.21 1.25 0.00 0.00 0.00 179.25 180.67 3n8k h LEU 86 N 0.92 0.57 -0.27 0.00 5.85 -1.94 -2.08 115.31 118.35 3n8k h LEU 86 Ca 0.27 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3n8k h LEU 86 Cb -0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3n8k h LEU 86 CO -0.08 0.78 0.09 -0.09 -0.34 0.00 0.00 178.44 178.80 3n8k h ARG 87 N 0.51 0.41 -0.76 1.25 2.43 -1.33 -1.94 114.38 114.94 3n8k h ARG 87 Ca 0.08 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3n8k h ARG 87 Cb 0.64 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 3n8k h ARG 87 CO 0.05 0.46 0.47 -0.44 -1.51 0.00 0.00 179.97 179.00 3n8k h ASP 88 N 0.28 0.90 -0.29 -3.80 3.32 -0.66 -1.48 116.42 114.69 3n8k h ASP 88 Ca 0.09 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3n8k h ASP 88 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3n8k h ASP 88 CO -0.00 0.68 -0.10 0.00 -1.72 0.00 0.00 179.24 178.09 3n8k h ALA 89 N 1.47 0.41 0.00 3.45 0.00 -1.30 -3.05 119.26 120.24 3n8k h ALA 89 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3n8k h ALA 89 Cb -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3n8k h ALA 89 CO -0.05 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 3n8k h ALA 91 N 1.95 1.00 0.00 0.00 0.00 -1.16 -2.59 119.26 118.46 3n8k h ALA 91 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3n8k h ALA 91 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n8k h ALA 91 CO 0.01 0.00 -0.48 0.93 0.00 0.00 0.00 179.25 179.71 3n8k h GLU 92 N 0.00 0.00 -6.46 0.00 5.08 -1.59 -3.46 114.58 108.16 3n8k h GLU 92 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3n8k h GLU 92 Cb 0.37 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.65 3n8k h GLU 92 CO 0.00 0.48 1.14 -0.51 -1.00 0.00 0.00 179.01 179.13 3n8k s LEU 93 N -6.52 4.41 -0.11 1.33 1.43 -0.98 -4.89 118.68 113.35 3n8k s LEU 93 Ca 0.04 2.71 0.11 0.00 -1.03 0.00 0.00 54.13 55.96 3n8k s LEU 93 Cb 0.08 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.51 3n8k s LEU 93 CO 0.74 -1.01 0.42 -1.54 0.23 0.00 0.00 176.35 175.18 3n8k n SER 94 N 6.27 0.86 -4.85 2.29 3.41 -1.26 -4.92 113.62 115.42 3n8k n SER 94 Ca 0.18 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.73 3n8k n SER 94 Cb 0.39 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.56 3.01 0.47 7.33 0.00 -1.26 -5.00 121.76 123.74 3n8k s ALA 95 Ca -0.10 0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 3n8k s ALA 95 Cb 0.07 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 3n8k s ALA 95 CO 0.81 -0.66 1.24 -2.30 0.00 0.00 0.00 175.76 174.85 3n8k n PRO 96 N -2.47 1.75 -4.25 0.00 -0.02 -1.26 -4.76 135.00 123.99 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 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.02 2.21 -0.25 2.45 2.96 -1.26 -1.83 118.68 120.94 3n8k s LEU 97 Ca 0.65 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3n8k s LEU 97 Cb -0.48 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3n8k s LEU 97 CO 0.55 0.02 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.96 3n8k s ILE 98 N 1.17 3.39 -0.10 6.68 -1.09 0.42 -0.56 121.20 131.10 3n8k s ILE 98 Ca 0.02 -0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 57.44 3n8k s ILE 98 Cb -0.14 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3n8k s ILE 98 CO -0.09 0.25 0.88 -0.70 -1.23 0.00 0.00 174.94 174.05 3n8k s GLU 99 N 1.43 4.41 -0.08 2.79 2.12 -0.52 -0.78 118.70 128.07 3n8k s GLU 99 Ca 0.03 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.56 3n8k s GLU 99 Cb -0.16 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.72 3n8k s GLU 99 CO -0.02 -0.20 -0.18 0.08 -0.54 0.00 0.00 175.26 174.41 3n8k s VAL 100 N 1.63 1.56 -0.04 3.70 1.01 -0.71 -0.32 120.40 127.23 3n8k s VAL 100 Ca 0.43 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3n8k s VAL 100 Cb -0.18 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3n8k s VAL 100 CO 0.18 0.45 -0.20 -1.00 0.00 0.00 0.00 175.10 174.53 3n8k s HIS 101 N 0.44 1.93 0.03 5.22 3.76 0.44 -4.06 115.29 123.05 3n8k s HIS 101 Ca -0.15 -0.55 -0.26 0.00 -0.15 0.00 0.00 55.06 53.96 3n8k s HIS 101 Cb -0.16 -1.28 -0.17 0.00 1.11 0.00 0.00 32.58 32.08 3n8k s HIS 101 CO 0.06 -0.17 1.40 0.82 -0.85 0.00 0.00 174.74 175.99 3n8k h ILE 102 N 5.14 0.82 -4.04 0.60 2.04 -1.86 -2.44 117.51 117.78 3n8k h ILE 102 Ca -0.33 -0.48 -0.50 0.00 1.00 0.00 0.00 64.86 64.55 3n8k h ILE 102 Cb 1.17 1.10 0.05 0.00 -0.74 0.00 0.00 36.82 38.40 3n8k h ILE 102 CO 0.48 0.10 0.30 -0.94 0.00 0.00 0.00 178.15 178.09 3n8k s SER 103 N -5.11 6.22 -0.83 1.72 1.04 -1.26 -1.89 113.70 113.59 3n8k s SER 103 Ca -0.15 1.21 -0.25 0.00 0.48 0.00 0.00 55.95 57.24 3n8k s SER 103 Cb 0.03 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.81 3n8k s SER 103 CO 0.60 -0.77 1.46 0.21 0.98 0.00 0.00 173.24 175.72 3n8k s ASN 104 N -4.16 6.07 0.25 7.02 3.84 -1.26 -2.12 114.94 124.59 3n8k s ASN 104 Ca 0.52 -0.70 0.21 0.00 0.21 0.00 0.00 52.86 53.10 3n8k s ASN 104 Cb -0.11 -2.56 0.97 0.00 -0.55 0.00 0.00 41.25 39.01 3n8k s ASN 104 CO 0.50 -1.88 1.63 0.55 -2.79 0.00 0.00 177.10 175.12 3n8k n VAL 105 N 6.77 1.00 0.73 -5.21 3.14 -1.26 -1.58 118.33 121.92 3n8k n VAL 105 Ca 0.18 0.45 0.12 0.00 -2.96 0.00 0.00 64.34 62.13 3n8k n VAL 105 Cb 0.50 -1.41 0.16 0.00 -1.06 0.00 0.00 33.84 32.03 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 -2.15 0.28 -0.06 1.45 8.25 -1.26 -3.77 115.22 117.95 3n8k n HIS 106 Ca 0.01 0.08 0.11 0.00 -0.26 0.00 0.00 57.72 57.65 3n8k n HIS 106 Cb 0.13 -0.45 0.29 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.71 2.40 -2.70 -1.41 0.00 -0.61 -4.94 120.51 111.54 3n8k n ALA 107 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3n8k n ALA 107 Cb 0.40 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.41 4.00 -1.45 0.00 1.74 -1.25 -5.09 116.66 116.02 3n8k n ARG 108 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 3n8k n ARG 108 Cb 0.55 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.08 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 2.60 2.15 0.31 5.56 8.01 -1.26 -4.93 118.70 131.14 3n8k s GLU 109 Ca 0.00 1.81 0.01 0.00 0.01 0.00 0.00 54.97 56.81 3n8k s GLU 109 Cb 0.00 -1.83 0.50 0.00 -4.31 0.00 0.00 34.13 28.49 3n8k s GLU 109 CO 0.00 -1.84 1.86 1.49 0.01 0.00 0.00 175.26 176.78 3n8k h GLU 110 N -0.21 0.69 0.00 1.61 4.22 -1.95 -2.64 114.58 116.29 3n8k h GLU 110 Ca -0.48 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 58.82 3n8k h GLU 110 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3n8k h GLU 110 CO 0.50 0.65 0.00 1.97 -2.18 0.00 0.00 179.01 179.95 3n8k n PHE 111 N -4.28 0.01 1.28 0.92 1.16 -1.26 -1.97 117.46 113.30 3n8k n PHE 111 Ca 0.03 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.74 3n8k n PHE 111 Cb 0.23 -0.50 0.38 0.00 -1.61 0.00 0.00 39.48 37.97 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 -1.50 1.06 -0.31 3.97 1.74 -0.99 -4.25 116.66 116.37 3n8k n ARG 112 Ca 0.03 -0.65 0.09 0.00 -0.77 0.00 0.00 57.85 56.55 3n8k n ARG 112 Cb 0.13 -1.49 0.26 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 -0.41 2.42 -2.99 5.56 1.74 -0.83 -4.54 116.66 117.61 3n8k n ARG 113 Ca 0.13 -2.13 -0.19 0.00 -0.77 0.00 0.00 57.85 54.90 3n8k n ARG 113 Cb 0.36 -1.48 -0.02 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 1.20 1.44 -1.69 -1.55 8.25 -1.26 -5.06 115.22 116.54 3n8k n HIS 114 Ca 0.20 -3.62 -0.44 0.00 -0.26 0.00 0.00 57.72 53.60 3n8k n HIS 114 Cb 0.51 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 0.05 2.94 0.25 0.41 2.88 -1.26 -4.83 113.62 114.05 3n8k n SER 115 Ca 0.24 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 59.07 3n8k n SER 115 Cb 0.63 -1.46 0.45 0.00 -0.75 0.00 0.00 64.21 63.08 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 4.19 0.00 0.02 0.66 0.05 -1.55 -3.34 116.97 117.01 3n8k h TYR 116 Ca -0.45 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.01 3n8k h TYR 116 Cb 1.27 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.96 3n8k h TYR 116 CO 0.56 0.04 -1.82 1.28 -1.05 0.00 0.00 178.16 177.17 3n8k n LEU 117 N -3.13 1.18 -0.24 3.88 4.77 -1.26 -4.41 117.00 117.78 3n8k n LEU 117 Ca 0.02 0.34 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3n8k n LEU 117 Cb 0.42 -0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.59 3n8k n LEU 117 CO 0.31 0.49 1.03 0.28 -1.33 0.00 0.00 177.39 178.17 3n8k h SER 118 N 0.01 0.35 0.31 -1.43 0.02 -1.93 -1.76 113.55 109.13 3n8k h SER 118 Ca -0.33 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3n8k h SER 118 Cb 2.03 0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.61 3n8k h SER 118 CO 0.07 0.18 0.00 -0.65 -1.14 0.00 0.00 176.83 175.29 3n8k h PRO 119 N 0.51 0.00 -0.00 3.45 0.11 -1.79 -2.85 132.00 131.42 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 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3n8k h PRO 119 CO -0.32 0.00 -0.30 0.44 -0.21 0.00 0.00 178.00 177.60 3n8k n ILE 120 N -2.57 0.00 -1.60 4.15 -5.35 -0.85 -5.02 119.36 108.11 3n8k n ILE 120 Ca -0.01 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 3n8k n ILE 120 Cb 0.13 1.02 0.05 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.57 2.69 -0.00 -1.28 0.00 -0.72 -4.93 121.76 115.96 3n8k s ALA 121 Ca 0.03 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 3n8k s ALA 121 Cb 0.06 -3.18 -0.19 0.00 0.00 0.00 0.00 23.12 19.81 3n8k s ALA 121 CO 0.27 -1.19 1.34 1.15 0.00 0.00 0.00 175.76 177.33 3n8k h THR 122 N -0.65 1.28 -3.51 0.00 2.02 -1.14 -3.48 112.91 107.43 3n8k h THR 122 Ca -0.44 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 3n8k h THR 122 Cb 1.21 1.91 -0.08 0.00 -1.74 0.00 0.00 68.15 69.45 3n8k h THR 122 CO 0.57 0.24 -0.05 -0.83 0.37 0.00 0.00 175.52 175.82 3n8k s GLY 123 N -3.00 0.38 -0.04 2.16 0.00 -1.20 -5.05 107.32 100.58 3n8k s GLY 123 Ca -0.15 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3n8k s GLY 123 CO 0.66 -0.51 -0.08 0.14 0.00 0.00 0.00 173.10 173.32 3n8k s VAL 124 N -3.99 0.73 -0.15 1.40 1.01 -1.26 -1.44 120.40 116.70 3n8k s VAL 124 Ca 0.19 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3n8k s VAL 124 Cb -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3n8k s VAL 124 CO 0.08 0.25 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 3n8k s ILE 125 N 0.51 2.19 -0.01 2.22 1.01 0.56 -4.98 121.20 122.70 3n8k s ILE 125 Ca -0.08 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3n8k s ILE 125 Cb -0.12 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3n8k s ILE 125 CO 0.01 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.75 3n8k s VAL 126 N 0.92 0.42 -0.08 2.92 1.01 -1.26 -0.42 120.40 123.91 3n8k s VAL 126 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3n8k s VAL 126 Cb -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3n8k s VAL 126 CO -0.04 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3n8k n GLY 127 N 3.23 0.48 1.33 4.51 0.00 -0.90 -4.80 105.19 109.04 3n8k n GLY 127 Ca -0.16 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.09 4.36 0.00 0.99 4.77 -1.22 -4.63 117.00 121.18 3n8k n LEU 128 Ca -0.01 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 3n8k n LEU 128 Cb 0.07 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3n8k n LEU 128 CO 0.01 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3n8k n GLY 129 N 0.78 0.27 0.23 -0.72 0.00 -0.79 -3.49 105.19 101.47 3n8k n GLY 129 Ca 0.23 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 1.14 0.00 -0.61 5.03 -1.90 -2.65 117.51 118.52 3n8k h ILE 130 Ca 0.00 -0.63 -0.00 0.00 -0.12 0.00 0.00 64.86 64.11 3n8k h ILE 130 Cb 0.00 1.29 -0.00 0.00 -3.03 0.00 0.00 36.82 35.08 3n8k h ILE 130 CO 0.00 0.19 -0.00 -0.61 -0.68 0.00 0.00 178.15 177.04 3n8k h GLN 131 N 0.05 0.00 -0.41 2.37 4.15 -1.98 -1.83 115.11 117.46 3n8k h GLN 131 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.48 3n8k h GLN 131 Cb 0.32 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3n8k h GLN 131 CO 0.02 0.00 0.28 0.78 -1.93 0.00 0.00 178.83 177.98 3n8k h GLY 132 N 0.28 0.42 0.93 2.39 0.00 -1.56 -0.34 103.07 105.18 3n8k h GLY 132 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3n8k h GLY 132 CO 0.00 0.11 -0.01 -0.97 0.00 0.00 0.00 176.54 175.67 3n8k h TYR 133 N 0.35 0.71 -0.27 5.60 -1.99 -1.54 -2.73 116.97 117.10 3n8k h TYR 133 Ca 0.18 -0.13 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 3n8k h TYR 133 Cb 0.26 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3n8k h TYR 133 CO -0.00 0.75 -0.37 -0.07 -0.00 0.00 0.00 178.16 178.48 3n8k h LEU 134 N 0.47 0.64 -0.70 3.88 3.38 -1.37 -2.26 115.31 119.35 3n8k h LEU 134 Ca 0.10 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3n8k h LEU 134 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n8k h LEU 134 CO 0.02 0.94 -0.50 -0.07 0.09 0.00 0.00 178.44 178.92 3n8k h LEU 135 N 0.51 0.42 -0.68 1.67 3.38 -1.17 -2.30 115.31 117.14 3n8k h LEU 135 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3n8k h LEU 135 Cb 0.87 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3n8k h LEU 135 CO 0.07 0.85 0.14 0.00 0.09 0.00 0.00 178.44 179.59 3n8k h ALA 136 N 1.17 0.89 -0.75 1.53 0.00 -1.25 -1.67 119.26 119.18 3n8k h ALA 136 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3n8k h ALA 136 Cb 0.99 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3n8k h ALA 136 CO 0.09 0.63 0.46 -0.07 0.00 0.00 0.00 179.25 180.36 3n8k h LEU 137 N 1.02 0.89 -0.96 0.00 3.38 -1.27 -2.68 115.31 115.70 3n8k h LEU 137 Ca 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3n8k h LEU 137 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3n8k h LEU 137 CO 0.01 0.68 0.27 -0.09 0.09 0.00 0.00 178.44 179.41 3n8k h ARG 138 N 1.02 1.03 -0.49 1.13 2.43 -1.05 -0.52 114.38 117.94 3n8k h ARG 138 Ca 0.27 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3n8k h ARG 138 Cb -0.06 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3n8k h ARG 138 CO -0.05 0.84 0.29 -0.92 -1.51 0.00 0.00 179.97 178.62 3n8k h TYR 139 N 1.01 0.54 -0.26 2.20 3.20 -1.11 -2.08 116.97 120.47 3n8k h TYR 139 Ca 0.23 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3n8k h TYR 139 Cb 0.20 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3n8k h TYR 139 CO 0.02 0.31 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.44 3n8k h LEU 140 N 0.58 0.59 -1.03 2.82 3.38 -1.11 -1.34 115.31 119.20 3n8k h LEU 140 Ca 0.20 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3n8k h LEU 140 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3n8k h LEU 140 CO -0.09 0.88 -0.24 0.00 0.09 0.00 0.00 178.44 179.09 3n8k h ALA 141 N 1.15 1.18 0.00 1.53 0.00 -0.94 -2.58 119.26 119.60 3n8k h ALA 141 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3n8k h ALA 141 Cb 0.82 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3n8k h ALA 141 CO 0.07 0.52 -0.29 1.49 0.00 0.00 0.00 179.25 181.05 3n8k h GLU 142 N 0.37 0.00 -0.01 0.00 4.57 -1.18 -3.51 114.58 114.81 3n8k h GLU 142 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3n8k h GLU 142 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3n8k h GLU 142 CO 0.04 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.59