#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 5.08 -0.12 1.47 1.01 -1.26 -1.56 121.20 125.82 3n8k s ILE 4 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.77 3n8k s ILE 4 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3n8k s ILE 4 CO 0.00 0.37 -0.23 -0.69 0.00 0.00 0.00 174.94 174.39 3n8k s VAL 5 N 0.26 2.08 -0.26 2.92 1.01 -0.20 -4.10 120.40 122.11 3n8k s VAL 5 Ca 0.29 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 3n8k s VAL 5 Cb -0.16 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3n8k s VAL 5 CO 0.13 0.55 0.43 0.20 0.00 0.00 0.00 175.10 176.42 3n8k s ASN 6 N 0.55 6.33 -0.37 3.32 0.01 -0.67 -0.86 114.94 123.25 3n8k s ASN 6 Ca -0.14 0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 52.30 3n8k s ASN 6 Cb -0.17 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.28 3n8k s ASN 6 CO 0.04 -0.22 0.19 -0.69 -1.51 0.00 0.00 177.10 174.91 3n8k s VAL 7 N 2.15 4.45 -0.20 1.60 1.01 -0.05 0.15 120.40 129.52 3n8k s VAL 7 Ca 0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3n8k s VAL 7 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3n8k s VAL 7 CO 0.10 -0.22 -0.11 -0.63 0.00 0.00 0.00 175.10 174.24 3n8k s ILE 8 N 1.53 2.80 -0.12 2.22 1.01 0.75 -1.08 121.20 128.32 3n8k s ILE 8 Ca 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 3n8k s ILE 8 Cb -0.19 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3n8k s ILE 8 CO 0.06 0.47 -0.03 0.20 0.00 0.00 0.00 174.94 175.65 3n8k s ASN 9 N 1.39 4.95 0.13 3.58 0.01 -0.12 -0.99 114.94 123.88 3n8k s ASN 9 Ca 0.05 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 3n8k s ASN 9 Cb -0.14 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 39.91 3n8k s ASN 9 CO -0.07 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 3n8k n GLY 10 N 2.94 0.47 3.60 0.66 0.00 0.29 -1.84 105.19 111.31 3n8k n GLY 10 Ca -0.18 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.25 1.44 -0.70 1.61 -0.02 -1.10 -2.88 135.00 133.10 3n8k n PRO 11 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3n8k n PRO 11 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.46 0.00 0.10 2.55 3.02 -1.26 -4.41 115.26 116.71 3n8k n ASN 12 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 3n8k n ASN 12 Cb 0.31 -0.80 0.32 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.23 3.41 3.38 -1.90 -2.74 115.31 117.23 3n8k h LEU 13 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 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 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3n8k n GLY 14 N 1.31 -1.32 0.47 0.83 0.00 -1.26 -3.17 105.19 102.05 3n8k n GLY 14 Ca 0.05 -0.01 0.13 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 -1.89 1.51 -1.60 1.61 5.12 -1.03 -4.70 116.66 115.67 3n8k n ARG 15 Ca 0.04 -0.94 -0.44 0.00 -1.93 0.00 0.00 57.85 54.57 3n8k n ARG 15 Cb 0.27 -1.48 -0.02 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 0.08 2.04 0.00 0.55 4.77 -1.19 -2.44 117.00 120.81 3n8k n LEU 16 Ca 0.17 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 3n8k n LEU 16 Cb 0.38 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3n8k n LEU 16 CO 0.19 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 3n8k n GLY 17 N 1.23 2.93 0.04 -0.72 0.00 -1.10 -3.84 105.19 103.73 3n8k n GLY 17 Ca 0.09 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.31 3n8k n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n8k n ARG 18 N 0.00 3.06 -2.32 1.61 1.85 -1.21 -4.60 116.66 115.04 3n8k n ARG 18 Ca 0.00 -0.10 -0.43 0.00 -1.00 0.00 0.00 57.85 56.32 3n8k n ARG 18 Cb 0.00 -1.05 -0.02 0.00 -1.05 0.00 0.00 32.46 30.33 3n8k n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3n8k s ARG 19 N -1.99 3.89 -0.32 2.89 3.00 -1.02 -4.35 118.95 121.05 3n8k s ARG 19 Ca 0.05 1.40 -0.04 0.00 -1.00 0.00 0.00 55.73 56.14 3n8k s ARG 19 Cb 0.09 -3.93 0.01 0.00 0.00 0.00 0.00 34.95 31.12 3n8k s ARG 19 CO 0.44 -1.16 0.27 0.39 0.00 0.00 0.00 175.30 175.24 3n8k n GLU 20 N 7.40 -0.71 -0.31 5.12 1.02 -1.26 -4.48 120.64 127.42 3n8k n GLU 20 Ca 0.16 0.39 0.10 0.00 -0.02 0.00 0.00 57.16 57.80 3n8k n GLU 20 Cb 0.46 -0.93 0.32 0.00 -0.02 0.00 0.00 31.44 31.27 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 0.56 0.79 0.00 3.49 0.13 -1.76 -0.52 132.00 134.69 3n8k h PRO 21 Ca -0.27 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3n8k h PRO 21 Cb 0.61 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3n8k h PRO 21 CO 0.14 0.52 -0.23 0.00 -0.23 0.00 0.00 178.00 178.21 3n8k h ALA 22 N 1.58 1.21 0.00 -0.56 0.00 -1.87 -0.70 119.26 118.91 3n8k h ALA 22 Ca 0.48 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 3n8k h ALA 22 Cb 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3n8k h ALA 22 CO -0.25 0.29 -1.57 0.28 0.00 0.00 0.00 179.25 178.00 3n8k n VAL 23 N -3.66 1.54 0.75 0.00 0.31 -0.43 -4.67 118.33 112.16 3n8k n VAL 23 Ca -0.01 -0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.28 3n8k n VAL 23 Cb 0.35 -2.00 -0.00 0.00 -0.91 0.00 0.00 33.84 31.28 3n8k n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n8k n TYR 24 N -4.38 0.00 -1.08 3.52 4.02 -0.33 -4.52 117.16 114.40 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 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 3n8k n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n8k n GLY 25 N 1.18 -1.86 0.12 2.72 0.00 -0.27 -4.75 105.19 102.33 3n8k n GLY 25 Ca 0.07 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.01 2.14 3.73 -0.02 0.00 -1.26 -4.33 105.19 105.44 3n8k n GLY 26 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.84 4.93 0.82 2.61 2.01 -1.26 -4.56 115.64 119.34 3n8k s THR 27 Ca 0.04 1.54 -0.12 0.00 0.31 0.00 0.00 61.69 63.46 3n8k s THR 27 Cb 0.02 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 68.54 3n8k s THR 27 CO 0.03 0.29 1.13 0.42 -0.69 0.00 0.00 174.62 175.80 3n8k s THR 28 N 0.48 2.57 0.19 -0.82 -4.23 -1.26 -2.73 115.64 109.84 3n8k s THR 28 Ca 0.39 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3n8k s THR 28 Cb -0.19 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 3n8k s THR 28 CO 0.20 -0.24 1.54 -0.74 -0.54 0.00 0.00 174.62 174.84 3n8k h HIS 29 N -1.12 0.84 -0.81 3.99 2.76 -1.82 -1.71 115.15 117.28 3n8k h HIS 29 Ca -0.47 -0.26 -0.00 0.00 -2.20 0.00 0.00 60.37 57.44 3n8k h HIS 29 Cb 1.30 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 30.05 3n8k h HIS 29 CO 0.38 1.00 0.50 -0.44 -1.30 0.00 0.00 177.93 178.07 3n8k h ASP 30 N 0.57 0.96 0.56 3.26 3.32 -1.93 -0.72 116.42 122.43 3n8k h ASP 30 Ca 0.04 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 3n8k h ASP 30 Cb 0.96 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3n8k h ASP 30 CO 0.09 0.73 -0.72 -0.33 -1.72 0.00 0.00 179.24 177.29 3n8k h GLU 31 N 1.11 0.13 -0.55 3.56 5.08 -1.92 -2.81 114.58 119.18 3n8k h GLU 31 Ca 0.29 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3n8k h GLU 31 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3n8k h GLU 31 CO -0.06 0.79 -0.08 1.25 -1.00 0.00 0.00 179.01 179.92 3n8k h LEU 32 N 0.09 1.02 -0.50 1.33 5.85 -0.73 -1.82 115.31 120.55 3n8k h LEU 32 Ca -0.02 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3n8k h LEU 32 Cb 1.27 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3n8k h LEU 32 CO 0.10 1.12 0.32 0.58 -0.34 0.00 0.00 178.44 180.23 3n8k h VAL 33 N 0.91 1.13 -0.42 1.05 2.07 -1.11 -1.69 116.25 118.19 3n8k h VAL 33 Ca 0.15 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3n8k h VAL 33 Cb 0.64 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3n8k h VAL 33 CO 0.04 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 3n8k h ALA 34 N 1.17 1.13 -0.24 1.67 0.00 -1.37 -0.80 119.26 120.82 3n8k h ALA 34 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3n8k h ALA 34 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3n8k h ALA 34 CO -0.04 0.55 -0.44 -0.07 0.00 0.00 0.00 179.25 179.26 3n8k h LEU 35 N 0.65 0.65 -0.19 0.00 3.38 -1.16 -2.20 115.31 116.43 3n8k h LEU 35 Ca 0.12 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 3n8k h LEU 35 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3n8k h LEU 35 CO 0.02 1.00 -0.44 0.40 0.09 0.00 0.00 178.44 179.51 3n8k h ILE 36 N 0.49 1.32 -0.04 1.22 2.04 -1.06 -2.36 117.51 119.13 3n8k h ILE 36 Ca 0.03 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 3n8k h ILE 36 Cb 0.96 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3n8k h ILE 36 CO 0.09 0.52 -0.29 -0.33 0.00 0.00 0.00 178.15 178.13 3n8k h GLU 37 N 0.33 0.07 -0.16 2.37 5.08 -1.17 -1.14 114.58 119.95 3n8k h GLU 37 Ca 0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3n8k h GLU 37 Cb 1.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3n8k h GLU 37 CO 0.10 0.36 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.08 3n8k h ARG 38 N 0.06 0.49 -0.40 2.33 2.43 -1.37 -2.77 114.38 115.16 3n8k h ARG 38 Ca 0.01 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.74 3n8k h ARG 38 Cb 0.56 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3n8k h ARG 38 CO 0.04 0.92 -0.26 1.49 -1.51 0.00 0.00 179.97 180.65 3n8k h GLU 39 N 0.13 0.84 -0.36 0.20 4.57 -1.23 -2.63 114.58 116.09 3n8k h GLU 39 Ca 0.01 -0.36 -0.08 0.00 -1.18 0.00 0.00 59.36 57.75 3n8k h GLU 39 Cb 0.89 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3n8k h GLU 39 CO 0.07 1.00 -0.07 0.00 -1.18 0.00 0.00 179.01 178.83 3n8k h ALA 40 N 0.98 0.50 0.00 2.92 0.00 -1.28 -1.88 119.26 120.50 3n8k h ALA 40 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3n8k h ALA 40 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3n8k h ALA 40 CO 0.07 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.44 3n8k h ALA 41 N 0.83 1.43 -0.04 0.00 0.00 -1.47 0.41 119.26 120.42 3n8k h ALA 41 Ca 0.09 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3n8k h ALA 41 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3n8k h ALA 41 CO 0.03 0.26 -0.72 1.49 0.00 0.00 0.00 179.25 180.31 3n8k h GLU 42 N 0.00 0.23 -0.13 0.00 4.81 -1.23 -3.21 114.58 115.05 3n8k h GLU 42 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3n8k h GLU 42 Cb 0.42 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3n8k h GLU 42 CO 0.03 0.86 0.00 1.28 -0.73 0.00 0.00 179.01 180.44 3n8k n LEU 43 N -3.78 2.02 -0.25 1.64 4.77 -0.70 -4.93 117.00 115.77 3n8k n LEU 43 Ca -0.03 -0.78 -0.03 0.00 -0.03 0.00 0.00 56.01 55.14 3n8k n LEU 43 Cb 0.70 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3n8k n LEU 43 CO 0.46 0.39 -0.03 0.61 -1.33 0.00 0.00 177.39 177.49 3n8k n GLY 44 N 1.22 0.50 3.66 -0.72 0.00 -0.47 -4.96 105.19 104.42 3n8k n GLY 44 Ca 0.17 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.70 3.10 -0.29 0.99 1.43 0.13 -4.28 118.68 119.06 3n8k s LEU 45 Ca 0.00 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 3n8k s LEU 45 Cb 0.00 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.75 3n8k s LEU 45 CO 0.00 -0.20 -0.03 -0.75 0.23 0.00 0.00 176.35 175.60 3n8k s LYS 46 N -3.74 2.17 -0.14 1.70 2.36 -0.60 -3.28 119.74 118.21 3n8k s LYS 46 Ca 0.35 -1.43 -0.17 0.00 -2.55 0.00 0.00 55.97 52.17 3n8k s LYS 46 Cb -0.02 -3.07 -0.04 0.00 -1.05 0.00 0.00 37.83 33.65 3n8k s LYS 46 CO 0.20 -0.67 0.42 0.00 1.55 0.00 0.00 175.35 176.85 3n8k s ALA 47 N 1.12 3.51 -0.35 3.13 0.00 -1.26 -1.03 121.76 126.88 3n8k s ALA 47 Ca -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 3n8k s ALA 47 Cb -0.20 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.41 3n8k s ALA 47 CO -0.04 0.02 0.12 0.08 0.00 0.00 0.00 175.76 175.94 3n8k s VAL 48 N 0.61 3.68 -0.23 0.00 1.01 -0.04 -4.88 120.40 120.54 3n8k s VAL 48 Ca 0.23 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 3n8k s VAL 48 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3n8k s VAL 48 CO 0.08 -0.27 0.12 -0.69 0.00 0.00 0.00 175.10 174.34 3n8k s VAL 49 N 1.36 4.97 0.02 2.92 1.01 -1.26 -0.87 120.40 128.55 3n8k s VAL 49 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3n8k s VAL 49 Cb -0.20 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3n8k s VAL 49 CO 0.01 0.36 -0.04 -0.13 0.00 0.00 0.00 175.10 175.30 3n8k s ARG 50 N 1.07 0.35 -0.01 2.72 0.52 -0.24 -4.99 118.95 118.37 3n8k s ARG 50 Ca 0.06 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3n8k s ARG 50 Cb -0.14 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 3n8k s ARG 50 CO 0.04 0.02 -0.13 -1.14 0.02 0.00 0.00 175.30 174.12 3n8k s GLN 51 N -0.97 1.03 -0.12 3.54 -0.44 -1.26 -0.95 119.66 120.49 3n8k s GLN 51 Ca -0.08 -0.48 -0.16 0.00 -2.50 0.00 0.00 55.36 52.14 3n8k s GLN 51 Cb -0.07 -1.00 0.04 0.00 -1.64 0.00 0.00 33.01 30.35 3n8k s GLN 51 CO -0.00 0.27 0.42 0.45 0.50 0.00 0.00 175.29 176.93 3n8k s SER 52 N -0.36 -0.41 0.00 6.67 0.15 -0.77 -4.99 113.70 114.00 3n8k s SER 52 Ca 0.05 0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.65 3n8k s SER 52 Cb -0.05 0.73 0.95 0.00 -1.71 0.00 0.00 66.02 65.94 3n8k s SER 52 CO -0.00 -0.25 1.72 0.47 1.20 0.00 0.00 173.24 176.38 3n8k n ASP 53 N 2.36 0.24 -4.64 5.45 8.00 -1.26 -2.71 116.55 123.99 3n8k n ASP 53 Ca -0.15 0.10 -0.39 0.00 0.71 0.00 0.00 54.79 55.06 3n8k n ASP 53 Cb 0.57 -0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.95 6.40 0.18 -2.24 0.15 -1.26 -4.65 113.70 109.33 3n8k s SER 54 Ca 0.14 0.48 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 3n8k s SER 54 Cb 0.19 -2.25 0.09 0.00 -1.71 0.00 0.00 66.02 62.34 3n8k s SER 54 CO 0.59 -0.17 1.84 -0.08 1.20 0.00 0.00 173.24 176.62 3n8k h GLU 55 N 7.76 0.78 -0.89 5.44 4.81 -2.00 -2.29 114.58 128.19 3n8k h GLU 55 Ca -0.33 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.93 3n8k h GLU 55 Cb 1.16 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 3n8k h GLU 55 CO 0.70 0.52 0.58 0.00 -0.73 0.00 0.00 179.01 180.08 3n8k h ALA 56 N 1.21 1.57 -0.40 2.92 0.00 -1.99 -0.75 119.26 121.81 3n8k h ALA 56 Ca 0.21 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3n8k h ALA 56 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3n8k h ALA 56 CO -0.05 0.28 -0.25 0.37 0.00 0.00 0.00 179.25 179.60 3n8k h GLN 57 N 0.96 0.88 -0.48 0.00 5.75 -1.89 -1.95 115.11 118.38 3n8k h GLN 57 Ca 0.39 -0.41 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3n8k h GLN 57 Cb 0.27 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3n8k h GLN 57 CO -0.15 1.06 0.29 -0.07 -2.65 0.00 0.00 178.83 177.30 3n8k h LEU 58 N 0.70 0.58 -0.46 -2.39 3.38 -0.83 -1.95 115.31 114.34 3n8k h LEU 58 Ca 0.08 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3n8k h LEU 58 Cb 0.83 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3n8k h LEU 58 CO 0.07 0.47 0.23 -0.07 0.09 0.00 0.00 178.44 179.23 3n8k h LEU 59 N 0.64 0.33 -0.64 1.67 3.38 -1.08 -1.18 115.31 118.42 3n8k h LEU 59 Ca 0.17 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3n8k h LEU 59 Cb -0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3n8k h LEU 59 CO -0.03 0.23 0.32 -0.78 0.09 0.00 0.00 178.44 178.27 3n8k h ASP 60 N 0.46 0.44 -0.52 -0.43 3.58 -1.08 0.49 116.42 119.36 3n8k h ASP 60 Ca 0.20 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.59 3n8k h ASP 60 Cb 0.11 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3n8k h ASP 60 CO -0.14 0.28 -0.08 -0.50 -2.88 0.00 0.00 179.24 175.91 3n8k h TRP 61 N 0.58 1.09 -0.59 0.28 6.55 -0.83 -1.94 115.95 121.10 3n8k h TRP 61 Ca 0.30 -0.22 -0.10 0.00 0.95 0.00 0.00 58.89 59.82 3n8k h TRP 61 Cb 0.25 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 3n8k h TRP 61 CO -0.11 1.02 -0.01 0.82 -1.05 0.00 0.00 178.44 179.12 3n8k h ILE 62 N 0.85 1.26 -0.44 1.49 5.03 -0.92 -2.30 117.51 122.48 3n8k h ILE 62 Ca 0.14 -1.15 0.05 0.00 -0.12 0.00 0.00 64.86 63.78 3n8k h ILE 62 Cb 0.64 0.81 -0.05 0.00 -3.03 0.00 0.00 36.82 35.20 3n8k h ILE 62 CO 0.04 0.41 0.17 0.45 -0.68 0.00 0.00 178.15 178.55 3n8k h HIS 63 N 0.94 0.31 -0.76 1.37 3.86 -0.72 -0.79 115.15 119.36 3n8k h HIS 63 Ca 0.17 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3n8k h HIS 63 Cb 0.55 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 3n8k h HIS 63 CO 0.04 0.12 0.41 1.96 0.86 0.00 0.00 177.93 181.32 3n8k h GLN 64 N 0.35 1.07 0.00 2.45 4.20 -1.22 -2.03 115.11 119.92 3n8k h GLN 64 Ca 0.20 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3n8k h GLN 64 Cb 0.18 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3n8k h GLN 64 CO -0.20 0.79 -0.35 0.00 -0.67 0.00 0.00 178.83 178.41 3n8k h ALA 65 N 1.38 1.09 -0.08 3.87 0.00 -0.91 -2.00 119.26 122.60 3n8k h ALA 65 Ca 0.27 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3n8k h ALA 65 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3n8k h ALA 65 CO -0.04 0.43 -0.86 0.00 0.00 0.00 0.00 179.25 178.78 3n8k h ALA 66 N 1.65 0.33 -0.13 0.00 0.00 -0.58 -1.00 119.26 119.53 3n8k h ALA 66 Ca -0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 3n8k h ALA 66 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3n8k h ALA 66 CO 0.04 0.72 -0.54 -0.44 0.00 0.00 0.00 179.25 179.03 3n8k h ASP 67 N 0.42 0.42 0.24 0.00 3.32 -1.24 -3.14 116.42 116.43 3n8k h ASP 67 Ca -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3n8k h ASP 67 Cb 1.49 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3n8k h ASP 67 CO 0.17 0.88 -0.28 0.00 -1.72 0.00 0.00 179.24 178.29 3n8k n ALA 68 N -2.49 3.12 -3.76 3.45 0.00 -0.76 -4.97 120.51 115.10 3n8k n ALA 68 Ca -0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 3n8k n ALA 68 Cb 0.59 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.66 -1.85 -2.71 0.00 0.00 -0.77 -5.00 120.51 109.50 3n8k n ALA 69 Ca 0.12 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 3n8k n ALA 69 Cb 0.35 -2.49 -0.09 0.00 0.00 0.00 0.00 19.45 17.22 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 -6.14 3.01 0.62 0.00 2.02 -0.45 -4.66 118.70 113.09 3n8k s GLU 70 Ca 0.15 -0.41 -0.19 0.00 0.02 0.00 0.00 54.97 54.54 3n8k s GLU 70 Cb -0.07 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 3n8k s GLU 70 CO 0.82 0.70 1.28 -1.25 0.02 0.00 0.00 175.26 176.83 3n8k s PRO 71 N -1.06 2.76 -0.10 0.39 0.04 -1.26 -4.68 135.00 131.08 3n8k s PRO 71 Ca 0.15 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.24 3n8k s PRO 71 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.51 3n8k s PRO 71 CO 0.05 -1.43 -0.14 0.08 0.04 0.00 0.00 177.00 175.59 3n8k s VAL 72 N -1.43 1.39 -0.36 -0.36 1.01 -0.86 -1.66 120.40 118.13 3n8k s VAL 72 Ca 0.80 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3n8k s VAL 72 Cb -0.36 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3n8k s VAL 72 CO 0.39 0.42 0.22 -0.63 0.00 0.00 0.00 175.10 175.50 3n8k s ILE 73 N 0.98 4.92 -0.16 2.22 1.01 0.12 -0.89 121.20 129.41 3n8k s ILE 73 Ca -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3n8k s ILE 73 Cb -0.15 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.70 3n8k s ILE 73 CO -0.01 -0.12 -0.21 -0.22 0.00 0.00 0.00 174.94 174.38 3n8k s LEU 74 N 1.64 2.14 -0.44 2.97 2.96 -0.46 -0.17 118.68 127.30 3n8k s LEU 74 Ca 0.04 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3n8k s LEU 74 Cb -0.18 -1.47 0.12 0.00 0.50 0.00 0.00 46.19 45.16 3n8k s LEU 74 CO 0.08 0.03 0.20 0.21 -1.32 0.00 0.00 176.35 175.56 3n8k s ASN 75 N 1.08 4.87 0.00 3.68 3.84 -0.16 -1.17 114.94 127.08 3n8k s ASN 75 Ca -0.00 -2.44 0.30 0.00 0.21 0.00 0.00 52.86 50.94 3n8k s ASN 75 Cb -0.14 -1.72 1.56 0.00 -0.55 0.00 0.00 41.25 40.40 3n8k s ASN 75 CO -0.08 -0.39 2.07 0.00 -2.79 0.00 0.00 177.10 175.92 3n8k n ALA 76 N 3.95 2.50 -0.71 1.71 0.00 -1.26 0.10 120.51 126.80 3n8k n ALA 76 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3n8k n ALA 76 Cb 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.26 3.00 0.19 0.00 0.00 -1.26 -2.59 105.19 105.78 3n8k n GLY 77 Ca 0.15 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.00 -0.02 0.00 -1.95 -2.89 103.07 100.21 3n8k h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n8k h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n8k h LEU 79 N 0.00 0.00 -1.03 3.11 3.38 -1.87 -2.96 115.31 115.93 3n8k h LEU 79 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3n8k h LEU 79 Cb 0.62 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3n8k h LEU 79 CO 0.04 0.00 0.64 0.74 0.09 0.00 0.00 178.44 179.96 3n8k h THR 80 N 0.00 1.07 -0.01 0.22 2.02 -1.64 -1.01 112.91 113.56 3n8k h THR 80 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3n8k h THR 80 Cb 0.28 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3n8k h THR 80 CO 0.00 0.21 -0.36 1.41 0.37 0.00 0.00 175.52 177.15 3n8k n HIS 81 N -4.51 0.00 0.00 3.16 8.25 -1.12 -1.68 115.22 119.33 3n8k n HIS 81 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3n8k n HIS 81 Cb 0.21 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.54 0.00 -3.12 1.59 -2.24 -1.07 -4.78 114.28 104.13 3n8k n THR 82 Ca 0.11 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3n8k n THR 82 Cb 0.38 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.48 6.30 0.14 3.42 0.15 -0.41 -4.88 113.70 115.94 3n8k s SER 83 Ca 0.00 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 3n8k s SER 83 Cb 0.00 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 3n8k s SER 83 CO 0.00 -0.80 1.34 0.58 1.20 0.00 0.00 173.24 175.56 3n8k h VAL 84 N 5.87 1.41 -0.77 4.45 2.07 -1.96 -3.11 116.25 124.21 3n8k h VAL 84 Ca -0.26 -2.41 0.07 0.00 0.82 0.00 0.00 66.70 64.92 3n8k h VAL 84 Cb 1.10 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 3n8k h VAL 84 CO 0.91 0.72 0.45 0.00 0.02 0.00 0.00 177.57 179.67 3n8k h ALA 85 N 0.81 1.06 -0.33 1.67 0.00 -1.98 0.79 119.26 121.28 3n8k h ALA 85 Ca -0.06 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3n8k h ALA 85 Cb 1.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3n8k h ALA 85 CO 0.15 0.14 -0.38 1.25 0.00 0.00 0.00 179.25 180.41 3n8k h LEU 86 N 0.81 0.84 -0.64 0.00 5.85 -1.94 -2.43 115.31 117.79 3n8k h LEU 86 Ca 0.35 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3n8k h LEU 86 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3n8k h LEU 86 CO -0.19 1.12 0.40 -0.09 -0.34 0.00 0.00 178.44 179.34 3n8k h ARG 87 N 0.65 0.86 -0.37 1.25 2.43 -1.34 -2.15 114.38 115.70 3n8k h ARG 87 Ca 0.06 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3n8k h ARG 87 Cb 0.93 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3n8k h ARG 87 CO 0.09 0.60 0.01 -0.44 -1.51 0.00 0.00 179.97 178.72 3n8k h ASP 88 N 0.87 0.55 -0.43 -3.80 3.32 -0.71 -1.74 116.42 114.48 3n8k h ASP 88 Ca 0.23 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3n8k h ASP 88 Cb -0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3n8k h ASP 88 CO -0.05 0.61 -0.22 0.00 -1.72 0.00 0.00 179.24 177.87 3n8k h ALA 89 N 1.46 0.61 0.00 3.45 0.00 -1.23 -3.18 119.26 120.37 3n8k h ALA 89 Ca 0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3n8k h ALA 89 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3n8k h ALA 89 CO 0.01 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.63 3n8k n ALA 91 N -2.26 1.53 0.58 0.00 0.00 -0.69 -2.25 120.51 117.42 3n8k n ALA 91 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3n8k n ALA 91 Cb 0.39 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.69 3n8k n ALA 91 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3n8k n GLU 92 N -2.29 0.29 -2.19 0.00 2.13 -1.01 -4.87 120.64 112.70 3n8k n GLU 92 Ca 0.01 0.13 -0.42 0.00 0.66 0.00 0.00 57.16 57.54 3n8k n GLU 92 Cb 0.19 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.15 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 -4.34 4.29 0.00 4.31 1.43 -0.95 -4.87 118.68 118.55 3n8k s LEU 93 Ca 0.07 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 3n8k s LEU 93 Cb 0.13 -3.55 -0.25 0.00 0.03 0.00 0.00 46.19 42.55 3n8k s LEU 93 CO 0.69 -0.80 0.85 0.77 0.23 0.00 0.00 176.35 178.09 3n8k h SER 94 N 8.43 0.22 -4.35 2.29 4.64 -1.89 -3.47 113.55 119.42 3n8k h SER 94 Ca -0.36 -0.34 -0.51 0.00 -0.47 0.00 0.00 61.79 60.11 3n8k h SER 94 Cb 1.16 -0.07 0.07 0.00 -0.31 0.00 0.00 62.40 63.25 3n8k h SER 94 CO 0.93 1.28 0.41 0.00 -0.87 0.00 0.00 176.83 178.59 3n8k s ALA 95 N -2.62 3.02 0.32 5.18 0.00 -1.26 -5.00 121.76 121.40 3n8k s ALA 95 Ca -0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 3n8k s ALA 95 Cb 0.08 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 3n8k s ALA 95 CO 0.83 -0.78 1.45 -2.30 0.00 0.00 0.00 175.76 174.97 3n8k n PRO 96 N -2.79 2.42 -4.55 0.00 -0.02 -1.26 -4.78 135.00 124.02 3n8k n PRO 96 Ca 0.06 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 62.06 3n8k n PRO 96 Cb 0.54 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.92 3.06 -0.16 2.45 2.96 -1.26 -2.04 118.68 122.77 3n8k s LEU 97 Ca 0.60 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 3n8k s LEU 97 Cb -0.54 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.47 3n8k s LEU 97 CO 0.56 0.18 -0.09 -0.51 -1.32 0.00 0.00 176.35 175.18 3n8k s ILE 98 N 0.29 1.32 -0.00 6.68 -1.16 -0.07 -0.07 121.20 128.19 3n8k s ILE 98 Ca -0.06 -0.67 -0.28 0.00 -0.51 0.00 0.00 60.65 59.13 3n8k s ILE 98 Cb -0.15 -1.39 -0.04 0.00 0.61 0.00 0.00 42.46 41.50 3n8k s ILE 98 CO 0.04 0.24 0.91 -0.70 -2.81 0.00 0.00 174.94 172.62 3n8k s GLU 99 N 1.56 4.54 -0.04 3.50 2.12 -0.27 -1.36 118.70 128.76 3n8k s GLU 99 Ca 0.02 1.29 0.05 0.00 0.36 0.00 0.00 54.97 56.68 3n8k s GLU 99 Cb -0.15 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3n8k s GLU 99 CO -0.09 0.02 -0.19 0.08 -0.54 0.00 0.00 175.26 174.55 3n8k s VAL 100 N 0.80 1.56 -0.02 3.70 1.01 -0.32 -0.28 120.40 126.85 3n8k s VAL 100 Ca 0.48 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3n8k s VAL 100 Cb -0.20 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3n8k s VAL 100 CO 0.26 0.44 -0.05 -1.00 0.00 0.00 0.00 175.10 174.75 3n8k s HIS 101 N -0.14 0.65 -0.01 5.22 3.76 0.41 -4.11 115.29 121.06 3n8k s HIS 101 Ca -0.00 -0.14 -0.25 0.00 -0.15 0.00 0.00 55.06 54.52 3n8k s HIS 101 Cb -0.11 -0.50 -0.19 0.00 1.11 0.00 0.00 32.58 32.89 3n8k s HIS 101 CO 0.01 -0.09 1.28 0.82 -0.85 0.00 0.00 174.74 175.92 3n8k h ILE 102 N 5.54 1.38 -3.42 0.60 2.04 -1.86 -2.07 117.51 119.73 3n8k h ILE 102 Ca -0.34 -1.19 -0.49 0.00 1.00 0.00 0.00 64.86 63.84 3n8k h ILE 102 Cb 1.17 2.10 0.03 0.00 -0.74 0.00 0.00 36.82 39.38 3n8k h ILE 102 CO 0.49 0.32 0.05 -0.94 0.00 0.00 0.00 178.15 178.07 3n8k s SER 103 N -5.81 6.28 -0.88 1.72 1.04 -1.26 -1.81 113.70 112.99 3n8k s SER 103 Ca -0.15 0.84 -0.25 0.00 0.48 0.00 0.00 55.95 56.87 3n8k s SER 103 Cb 0.02 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.96 3n8k s SER 103 CO 0.69 -0.51 1.54 0.21 0.98 0.00 0.00 173.24 176.15 3n8k s ASN 104 N -4.03 6.03 0.61 7.02 3.84 -1.26 -2.40 114.94 124.74 3n8k s ASN 104 Ca 0.46 -0.83 0.38 0.00 0.21 0.00 0.00 52.86 53.08 3n8k s ASN 104 Cb -0.10 -2.56 1.96 0.00 -0.55 0.00 0.00 41.25 39.99 3n8k s ASN 104 CO 0.42 -1.92 2.22 1.62 -2.79 0.00 0.00 177.10 176.65 3n8k h VAL 105 N 6.68 0.13 0.00 -5.21 3.04 -1.92 -0.98 116.25 117.99 3n8k h VAL 105 Ca -0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3n8k h VAL 105 Cb 1.04 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3n8k h VAL 105 CO 1.33 0.02 -0.29 1.41 -1.01 0.00 0.00 177.57 179.03 3n8k n HIS 106 N -3.23 0.36 1.00 3.17 8.25 -1.26 -3.34 115.22 120.17 3n8k n HIS 106 Ca -0.02 0.11 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 3n8k n HIS 106 Cb 0.16 -0.58 0.25 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.65 2.49 -2.39 -1.41 0.00 -0.37 -4.94 120.51 112.23 3n8k n ALA 107 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3n8k n ALA 107 Cb 0.39 -0.94 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 1.00 3.94 -1.46 0.00 1.74 -1.21 -5.09 116.66 115.58 3n8k n ARG 108 Ca 0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 3n8k n ARG 108 Cb 0.52 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.05 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 3.33 2.17 0.25 5.56 8.01 -1.26 -4.94 118.70 131.81 3n8k s GLU 109 Ca 0.00 1.79 -0.06 0.00 0.01 0.00 0.00 54.97 56.71 3n8k s GLU 109 Cb 0.00 -1.83 0.26 0.00 -4.31 0.00 0.00 34.13 28.25 3n8k s GLU 109 CO 0.00 -1.82 1.92 0.93 0.01 0.00 0.00 175.26 176.30 3n8k h GLU 110 N -0.22 1.29 0.00 1.61 4.39 -1.96 -2.64 114.58 117.05 3n8k h GLU 110 Ca -0.48 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.14 3n8k h GLU 110 Cb 1.30 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3n8k h GLU 110 CO 0.50 0.85 0.00 1.97 -1.16 0.00 0.00 179.01 181.17 3n8k n PHE 111 N -4.40 0.00 1.13 4.33 1.16 -1.26 -1.77 117.46 116.65 3n8k n PHE 111 Ca 0.12 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.82 3n8k n PHE 111 Cb 0.02 -0.42 0.24 0.00 -1.61 0.00 0.00 39.48 37.72 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 -1.42 0.63 -0.19 3.97 1.74 -0.99 -4.32 116.66 116.08 3n8k n ARG 112 Ca 0.03 -0.42 0.10 0.00 -0.77 0.00 0.00 57.85 56.79 3n8k n ARG 112 Cb 0.10 -1.49 0.27 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.82 2.17 -3.13 5.56 1.74 -0.73 -4.52 116.66 116.95 3n8k n ARG 113 Ca 0.09 -1.79 -0.23 0.00 -0.77 0.00 0.00 57.85 55.15 3n8k n ARG 113 Cb 0.36 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.98 1.83 -1.75 -1.55 8.25 -1.26 -5.04 115.22 116.68 3n8k n HIS 114 Ca 0.18 -3.89 -0.42 0.00 -0.26 0.00 0.00 57.72 53.33 3n8k n HIS 114 Cb 0.46 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 0.30 3.54 0.18 0.41 2.88 -1.26 -4.81 113.62 114.86 3n8k n SER 115 Ca 0.27 1.20 0.06 0.00 -1.33 0.00 0.00 58.87 59.07 3n8k n SER 115 Cb 0.52 -1.57 0.16 0.00 -0.75 0.00 0.00 64.21 62.57 3n8k n SER 115 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3n8k h TYR 116 N 3.43 0.00 0.00 0.66 0.05 -1.62 -3.34 116.97 116.15 3n8k h TYR 116 Ca -0.48 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.12 3n8k h TYR 116 Cb 1.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.96 3n8k h TYR 116 CO 0.54 0.34 -1.24 -0.07 -1.05 0.00 0.00 178.16 176.69 3n8k h LEU 117 N 0.00 0.00 -0.38 3.88 3.38 -1.91 -3.39 115.31 116.88 3n8k h LEU 117 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3n8k h LEU 117 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3n8k h LEU 117 CO 0.04 0.65 0.13 0.28 0.09 0.00 0.00 178.44 179.64 3n8k h SER 118 N 0.00 0.14 0.40 -0.43 0.02 -1.93 -2.01 113.55 109.75 3n8k h SER 118 Ca -0.13 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3n8k h SER 118 Cb 1.62 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 3n8k h SER 118 CO 0.06 0.12 -0.01 -0.65 -1.14 0.00 0.00 176.83 175.21 3n8k h PRO 119 N 0.29 0.00 -0.01 3.45 0.11 -1.80 -2.86 132.00 131.18 3n8k h PRO 119 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3n8k h PRO 119 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3n8k h PRO 119 CO -0.18 0.01 -0.13 0.44 -0.21 0.00 0.00 178.00 177.93 3n8k n ILE 120 N -3.14 0.00 -2.79 4.15 -6.64 -1.02 -5.00 119.36 104.92 3n8k n ILE 120 Ca -0.02 -0.44 -0.26 0.00 -1.77 0.00 0.00 62.75 60.27 3n8k n ILE 120 Cb 0.17 1.23 0.00 0.00 -1.44 0.00 0.00 39.64 39.60 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 -1.39 3.48 0.03 -1.28 0.00 -0.79 -4.91 121.76 116.90 3n8k s ALA 121 Ca 0.14 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 3n8k s ALA 121 Cb 0.11 -2.46 -0.16 0.00 0.00 0.00 0.00 23.12 20.61 3n8k s ALA 121 CO 0.25 -0.32 1.27 1.15 0.00 0.00 0.00 175.76 178.11 3n8k h THR 122 N 0.31 1.38 -3.47 0.00 2.02 -0.80 -3.48 112.91 108.87 3n8k h THR 122 Ca -0.47 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.14 3n8k h THR 122 Cb 1.21 2.07 -0.13 0.00 -1.74 0.00 0.00 68.15 69.57 3n8k h THR 122 CO 0.61 0.44 -0.12 -0.83 0.37 0.00 0.00 175.52 176.00 3n8k s GLY 123 N -3.61 -0.14 -0.07 2.16 0.00 -1.20 -5.06 107.32 99.40 3n8k s GLY 123 Ca -0.14 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.39 3n8k s GLY 123 CO 0.77 -0.41 -0.16 0.14 0.00 0.00 0.00 173.10 173.44 3n8k s VAL 124 N -3.84 1.41 -0.21 1.40 1.01 -1.26 -1.11 120.40 117.80 3n8k s VAL 124 Ca 0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3n8k s VAL 124 Cb 0.02 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3n8k s VAL 124 CO -0.09 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.66 3n8k s ILE 125 N 0.53 2.54 -0.03 2.22 1.01 0.62 -4.98 121.20 123.10 3n8k s ILE 125 Ca -0.15 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.61 3n8k s ILE 125 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3n8k s ILE 125 CO 0.05 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.56 3n8k s VAL 126 N 1.32 1.06 0.00 2.92 1.01 -1.26 -0.45 120.40 125.01 3n8k s VAL 126 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3n8k s VAL 126 Cb -0.15 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3n8k s VAL 126 CO -0.08 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3n8k n GLY 127 N 3.21 0.53 1.54 4.51 0.00 -0.78 -4.81 105.19 109.40 3n8k n GLY 127 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N 0.00 4.56 0.00 0.99 4.77 -1.23 -4.61 117.00 121.48 3n8k n LEU 128 Ca 0.00 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 3n8k n LEU 128 Cb 0.00 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3n8k n LEU 128 CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3n8k n GLY 129 N 1.29 0.67 0.28 -0.72 0.00 -0.75 -3.46 105.19 102.51 3n8k n GLY 129 Ca 0.26 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 1.12 0.00 -0.61 5.03 -1.90 -2.73 117.51 118.42 3n8k h ILE 130 Ca 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 3n8k h ILE 130 Cb 0.00 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 3n8k h ILE 130 CO 0.00 0.15 0.00 -0.61 -0.68 0.00 0.00 178.15 177.01 3n8k h GLN 131 N 0.41 0.00 -0.48 2.37 4.15 -1.98 -2.77 115.11 116.81 3n8k h GLN 131 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.57 3n8k h GLN 131 Cb 0.10 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3n8k h GLN 131 CO -0.01 0.00 0.32 0.78 -1.93 0.00 0.00 178.83 177.99 3n8k h GLY 132 N 1.00 0.53 1.02 2.39 0.00 -1.58 -1.06 103.07 105.36 3n8k h GLY 132 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3n8k h GLY 132 CO 0.00 0.14 -0.29 -0.97 0.00 0.00 0.00 176.54 175.43 3n8k h TYR 133 N 0.44 0.94 -0.47 5.60 -1.99 -1.72 -2.55 116.97 117.22 3n8k h TYR 133 Ca 0.20 -0.27 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 3n8k h TYR 133 Cb 0.25 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 3n8k h TYR 133 CO -0.00 1.04 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.99 3n8k h LEU 134 N 0.57 0.89 -0.96 3.88 3.38 -1.49 -1.68 115.31 119.90 3n8k h LEU 134 Ca 0.06 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3n8k h LEU 134 Cb 0.86 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3n8k h LEU 134 CO 0.07 1.03 -0.42 -0.07 0.09 0.00 0.00 178.44 179.15 3n8k h LEU 135 N 0.79 0.21 -0.97 1.67 3.38 -1.28 -2.41 115.31 116.71 3n8k h LEU 135 Ca 0.12 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3n8k h LEU 135 Cb 0.67 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3n8k h LEU 135 CO 0.05 0.61 -0.25 0.00 0.09 0.00 0.00 178.44 178.94 3n8k h ALA 136 N 1.40 1.13 -0.42 1.53 0.00 -1.00 -2.60 119.26 119.30 3n8k h ALA 136 Ca 0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3n8k h ALA 136 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3n8k h ALA 136 CO 0.06 0.55 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 3n8k h LEU 137 N 0.40 0.92 -0.88 0.00 3.38 -1.03 -3.08 115.31 115.02 3n8k h LEU 137 Ca 0.06 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3n8k h LEU 137 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3n8k h LEU 137 CO 0.05 1.12 -0.19 -0.09 0.09 0.00 0.00 178.44 179.42 3n8k h ARG 138 N 0.76 0.61 -0.45 1.13 2.43 -1.24 -0.97 114.38 116.64 3n8k h ARG 138 Ca 0.09 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3n8k h ARG 138 Cb 0.82 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3n8k h ARG 138 CO 0.07 0.77 0.20 -0.92 -1.51 0.00 0.00 179.97 178.58 3n8k h TYR 139 N 0.55 0.66 0.00 2.20 3.20 -1.48 -2.94 116.97 119.16 3n8k h TYR 139 Ca 0.09 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3n8k h TYR 139 Cb 0.63 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3n8k h TYR 139 CO 0.03 0.55 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.78 3n8k h LEU 140 N 0.59 0.00 -2.15 2.82 3.38 -1.40 -2.77 115.31 115.78 3n8k h LEU 140 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n8k h LEU 140 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3n8k h LEU 140 CO -0.02 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3n8k h ALA 141 N 1.75 1.00 -0.01 1.53 0.00 -1.00 -2.49 119.26 120.04 3n8k h ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n8k h ALA 141 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3n8k h ALA 141 CO 0.03 0.00 -0.08 0.39 0.00 0.00 0.00 179.25 179.59 3n8k n GLU 142 N -3.05 1.12 0.00 0.00 1.02 -1.06 -5.10 120.64 113.56 3n8k n GLU 142 Ca -0.01 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 3n8k n GLU 142 Cb 0.19 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03