#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n LYS 2 N 0.00 1.51 -2.68 2.12 4.81 -1.26 -3.86 118.16 118.79 2hgj n LYS 2 Ca 0.00 -2.29 -0.43 0.00 -0.87 0.00 0.00 58.31 54.72 2hgj n LYS 2 Cb 0.00 -3.54 -0.03 0.00 0.02 0.00 0.00 35.03 31.48 2hgj n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2hgj s VAL 3 N 9.89 4.29 -0.14 3.15 1.01 -0.40 -1.27 120.40 136.92 2hgj s VAL 3 Ca 0.66 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 2hgj s VAL 3 Cb 0.03 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2hgj s VAL 3 CO 0.14 -0.98 0.41 -0.63 0.00 0.00 0.00 175.10 174.04 2hgj s ILE 4 N 4.24 5.22 -0.15 2.22 -1.09 0.46 -0.75 121.20 131.35 2hgj s ILE 4 Ca 0.43 0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 59.59 2hgj s ILE 4 Cb -0.08 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2hgj s ILE 4 CO 0.29 0.33 0.09 -0.76 -1.23 0.00 0.00 174.94 173.66 2hgj s LEU 5 N 0.70 4.02 -0.09 2.97 1.43 -0.21 -0.69 118.68 126.82 2hgj s LEU 5 Ca 0.22 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 2hgj s LEU 5 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2hgj s LEU 5 CO 0.08 0.28 -0.17 -0.11 0.23 0.00 0.00 176.35 176.66 2hgj n LEU 6 N 2.82 0.94 -0.91 1.79 0.00 0.18 -3.55 117.00 118.27 2hgj n LEU 6 Ca -0.18 0.17 0.07 0.00 0.00 0.00 0.00 56.01 56.08 2hgj n LEU 6 Cb 0.53 -0.62 0.21 0.00 0.00 0.00 0.00 43.42 43.55 2hgj n LEU 6 CO 0.33 -0.39 0.68 -0.62 0.00 0.00 0.00 177.39 177.39 2hgj n GLU 7 N -3.45 2.18 -4.07 1.96 4.71 -0.33 0.37 120.64 122.01 2hgj n GLU 7 Ca -0.07 -1.73 -0.33 0.00 -0.01 0.00 0.00 57.16 55.03 2hgj n GLU 7 Cb 0.25 -1.40 -0.07 0.00 -1.01 0.00 0.00 31.44 29.21 2hgj n GLU 7 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2hgj s PRO 8 N -1.41 3.13 -0.00 3.49 0.02 -1.26 0.22 135.00 139.19 2hgj s PRO 8 Ca 0.32 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.89 2hgj s PRO 8 Cb 0.17 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.79 2hgj s PRO 8 CO 0.21 0.65 0.62 -0.11 -0.33 0.00 0.00 177.00 178.04 2hgj n LEU 9 N 1.16 0.18 0.00 -5.54 0.00 -0.94 -0.19 117.00 111.67 2hgj n LEU 9 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 56.01 55.55 2hgj n LEU 9 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2hgj n LEU 9 CO 0.39 0.08 0.00 1.21 0.00 0.00 0.00 177.39 179.07 2hgj n GLU 10 N -0.06 0.00 -2.00 1.96 4.07 -1.26 -4.84 120.64 118.51 2hgj n GLU 10 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 2hgj n GLU 10 Cb 0.51 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2hgj n GLU 10 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2hgj n ASN 11 N 0.00 1.40 -4.35 4.31 3.02 -1.26 -4.90 115.26 113.48 2hgj n ASN 11 Ca 0.00 -1.39 -0.18 0.00 -0.03 0.00 0.00 54.58 52.98 2hgj n ASN 11 Cb 0.00 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 2hgj n ASN 11 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2hgj n LEU 12 N 0.00 0.99 -2.16 3.41 0.00 -1.26 -4.32 117.00 113.67 2hgj n LEU 12 Ca -0.01 -2.22 -0.19 0.00 0.00 0.00 0.00 56.01 53.59 2hgj n LEU 12 Cb 0.13 -1.43 0.03 0.00 0.00 0.00 0.00 43.42 42.15 2hgj n LEU 12 CO 0.08 -3.24 0.15 0.61 0.00 0.00 0.00 177.39 174.98 2hgj n GLY 13 N 5.80 5.53 0.00 -3.96 0.00 0.26 -4.77 105.19 108.05 2hgj n GLY 13 Ca 0.38 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2hgj n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgj n ASP 14 N -0.69 0.00 -0.67 1.61 9.92 0.58 -2.20 116.55 125.11 2hgj n ASP 14 Ca 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 2hgj n ASP 14 Cb 0.94 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.42 2hgj n ASP 14 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2hgj n VAL 15 N 0.00 0.00 0.11 2.53 0.31 1.16 -4.47 118.33 117.98 2hgj n VAL 15 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2hgj n VAL 15 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 2hgj n VAL 15 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2hgj h GLY 16 N 0.00 0.09 0.00 2.92 0.00 -0.66 -3.49 103.07 101.93 2hgj h GLY 16 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2hgj h GLY 16 CO 0.00 0.12 0.00 -1.06 0.00 0.00 0.00 176.54 175.60 2hgj n GLN 17 N -3.74 0.00 -3.64 4.80 3.00 -1.23 -5.00 117.38 111.57 2hgj n GLN 17 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 2hgj n GLN 17 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.87 2hgj n GLN 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2hgj s VAL 18 N -0.88 -0.35 0.33 5.09 1.01 -1.25 -1.04 120.40 123.31 2hgj s VAL 18 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2hgj s VAL 18 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2hgj s VAL 18 CO 0.00 0.00 0.26 -0.69 0.00 0.00 0.00 175.10 174.67 2hgj s VAL 19 N 2.08 0.04 -0.39 2.92 1.01 0.07 -4.87 120.40 121.26 2hgj s VAL 19 Ca -0.08 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.77 2hgj s VAL 19 Cb -0.07 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2hgj s VAL 19 CO -0.19 0.00 0.25 -1.81 0.00 0.00 0.00 175.10 173.35 2hgj s ASP 20 N -3.38 5.91 -0.46 3.32 1.11 -1.25 -1.28 116.67 120.64 2hgj s ASP 20 Ca 0.39 -0.95 0.04 0.00 0.18 0.00 0.00 52.55 52.21 2hgj s ASP 20 Cb 0.03 -2.09 0.43 0.00 1.07 0.00 0.00 42.92 42.36 2hgj s ASP 20 CO 0.26 -0.41 1.37 0.52 1.18 0.00 0.00 175.17 178.08 2hgj n VAL 21 N 5.07 2.74 -0.43 -1.27 0.31 -1.26 -5.01 118.33 118.48 2hgj n VAL 21 Ca -0.11 -4.31 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 2hgj n VAL 21 Cb 0.46 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2hgj n VAL 21 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgj n LYS 22 N -0.64 0.00 0.00 5.55 4.76 -1.26 0.30 118.16 126.88 2hgj n LYS 22 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2hgj n LYS 22 Cb 0.74 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 2hgj n LYS 22 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2hgj n PRO 23 N -2.38 0.00 -0.33 1.97 -0.02 -1.26 -0.94 135.00 132.04 2hgj n PRO 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgj n PRO 23 Cb 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.63 2hgj n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgj n GLY 24 N 0.00 -1.73 0.00 -1.23 0.00 -1.26 -1.19 105.19 99.78 2hgj n GLY 24 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.99 2hgj n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgj n TYR 25 N -5.32 0.00 -0.01 1.61 0.53 -1.21 0.22 117.16 112.98 2hgj n TYR 25 Ca 0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.86 2hgj n TYR 25 Cb 0.37 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.60 2hgj n TYR 25 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2hgj h ALA 26 N -0.00 -0.79 -1.76 -0.72 0.00 0.65 -1.75 119.26 114.89 2hgj h ALA 26 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hgj h ALA 26 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2hgj h ALA 26 CO 0.00 -0.95 0.00 -2.13 0.00 0.00 0.00 179.25 176.17 2hgj n ARG 27 N -4.80 0.00 0.00 0.00 0.63 0.60 -0.81 116.66 112.28 2hgj n ARG 27 Ca -0.05 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.02 2hgj n ARG 27 Cb 0.29 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.91 2hgj n ARG 27 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2hgj n ASN 28 N 0.00 0.00 -0.11 6.15 3.02 -0.23 0.10 115.26 124.19 2hgj n ASN 28 Ca 0.00 -0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.23 2hgj n ASN 28 Cb 0.00 -0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 2hgj n ASN 28 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2hgj n TYR 29 N -1.27 0.18 -0.02 3.10 4.02 -0.68 -4.43 117.16 118.06 2hgj n TYR 29 Ca 0.13 0.04 -0.02 0.00 -0.01 0.00 0.00 57.90 58.04 2hgj n TYR 29 Cb 0.21 -1.02 -0.03 0.00 -0.02 0.00 0.00 39.34 38.48 2hgj n TYR 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2hgj n LEU 30 N -3.23 1.03 -0.00 7.72 4.32 0.01 -4.78 117.00 122.06 2hgj n LEU 30 Ca -0.42 -0.01 0.05 0.00 -0.02 0.00 0.00 56.01 55.61 2hgj n LEU 30 Cb 1.02 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.75 2hgj n LEU 30 CO 0.30 0.26 -0.09 0.18 -1.22 0.00 0.00 177.39 176.83 2hgj n LEU 31 N -2.32 0.48 0.29 2.23 4.77 -0.45 -4.24 117.00 117.76 2hgj n LEU 31 Ca -0.07 -0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 2hgj n LEU 31 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 2hgj n LEU 31 CO 0.07 0.12 0.69 1.55 -1.33 0.00 0.00 177.39 178.49 2hgj h PRO 32 N 0.00 -0.69 -0.05 3.23 0.13 -0.55 -1.49 132.00 132.58 2hgj h PRO 32 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2hgj h PRO 32 Cb 0.29 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 2hgj h PRO 32 CO 0.00 -0.46 -0.03 0.54 -0.23 0.00 0.00 178.00 177.82 2hgj n ARG 33 N -5.41 -0.02 0.00 0.86 1.74 -1.26 -4.69 116.66 107.88 2hgj n ARG 33 Ca -0.12 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2hgj n ARG 33 Cb 0.31 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 2hgj n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgj n GLY 34 N -1.01 0.90 0.00 -0.13 0.00 -0.56 -5.05 105.19 99.34 2hgj n GLY 34 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2hgj n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 35 N 0.00 0.00 0.00 0.99 7.99 -1.26 -4.95 117.00 119.77 2hgj n LEU 35 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 2hgj n LEU 35 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2hgj n LEU 35 CO 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 177.39 176.02 2hgj n ALA 36 N 0.00 0.00 -3.00 -1.18 0.00 -1.26 -0.65 120.51 114.42 2hgj n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 36 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2hgj n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgj n VAL 37 N 4.43 0.00 -4.57 0.00 0.31 0.14 -4.89 118.33 113.75 2hgj n VAL 37 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2hgj n VAL 37 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 2hgj n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2hgj s LEU 38 N 0.00 2.19 0.00 7.52 1.98 -1.26 -0.40 118.68 128.70 2hgj s LEU 38 Ca 0.00 -0.54 0.00 0.00 -2.89 0.00 0.00 54.13 50.70 2hgj s LEU 38 Cb 0.00 -0.93 0.00 0.00 0.66 0.00 0.00 46.19 45.92 2hgj s LEU 38 CO 0.00 0.13 0.00 0.00 -1.89 0.00 0.00 176.35 174.59 2hgj n ALA 39 N 1.75 0.00 -1.53 5.97 0.00 -0.40 -4.72 120.51 121.58 2hgj n ALA 39 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2hgj n ALA 39 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2hgj n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgj n THR 40 N 0.00 -3.30 -0.13 0.00 -1.04 -1.26 -1.47 114.28 107.07 2hgj n THR 40 Ca 0.00 1.60 -0.02 0.00 -2.04 0.00 0.00 64.05 63.59 2hgj n THR 40 Cb 0.00 -2.53 0.21 0.00 -1.82 0.00 0.00 70.33 66.19 2hgj n THR 40 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2hgj h GLU 41 N 0.45 0.83 -0.66 -2.82 5.08 -1.99 -0.59 114.58 114.88 2hgj h GLU 41 Ca 0.00 -0.15 0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2hgj h GLU 41 Cb 0.75 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2hgj h GLU 41 CO 0.00 0.71 0.22 0.66 -1.00 0.00 0.00 179.01 179.61 2hgj h SER 42 N 0.81 0.18 0.11 1.42 4.64 -1.96 -0.02 113.55 118.72 2hgj h SER 42 Ca 0.19 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2hgj h SER 42 Cb 0.23 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2hgj h SER 42 CO -0.01 0.08 -0.05 0.78 -0.87 0.00 0.00 176.83 176.76 2hgj h ASN 43 N 0.38 -0.12 -0.95 4.97 -0.26 -0.40 -0.64 115.58 118.56 2hgj h ASN 43 Ca 0.35 -0.09 0.21 0.00 -0.56 0.00 0.00 56.30 56.21 2hgj h ASN 43 Cb 0.50 0.03 -0.18 0.00 -1.06 0.00 0.00 38.32 37.61 2hgj h ASN 43 CO -0.37 0.40 -0.15 -0.07 -1.06 0.00 0.00 177.43 176.17 2hgj h LEU 44 N -1.03 -0.75 0.72 1.61 3.38 -0.66 1.16 115.31 119.75 2hgj h LEU 44 Ca -0.01 0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2hgj h LEU 44 Cb 0.20 0.55 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2hgj h LEU 44 CO 0.02 -0.32 -0.34 0.50 0.09 0.00 0.00 178.44 178.39 2hgj h LYS 45 N 0.01 -0.93 -0.50 1.13 3.64 -1.06 -1.36 116.57 117.51 2hgj h LYS 45 Ca 0.49 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 60.03 2hgj h LYS 45 Cb 0.84 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.78 2hgj h LYS 45 CO -0.94 -0.62 -0.14 0.00 -2.27 0.00 0.00 179.45 175.47 2hgj n ALA 46 N -2.49 0.07 0.08 5.00 0.00 0.39 0.24 120.51 123.80 2hgj n ALA 46 Ca -0.12 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 2hgj n ALA 46 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2hgj n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hgj h LEU 47 N 0.00 -0.34 -0.98 0.00 5.85 -0.83 -0.74 115.31 118.27 2hgj h LEU 47 Ca 0.22 0.03 0.39 0.00 0.84 0.00 0.00 57.88 59.36 2hgj h LEU 47 Cb 0.35 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.31 2hgj h LEU 47 CO -0.51 -0.17 0.47 -0.62 -0.34 0.00 0.00 178.44 177.27 2hgj n GLU 48 N -3.05 -0.06 0.09 1.25 -0.58 0.67 -1.03 120.64 117.94 2hgj n GLU 48 Ca -0.03 1.36 -0.05 0.00 -0.42 0.00 0.00 57.16 58.03 2hgj n GLU 48 Cb 0.12 -2.41 -0.02 0.00 -0.57 0.00 0.00 31.44 28.55 2hgj n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgj h ALA 49 N 1.96 -0.96 -0.14 0.62 0.00 0.19 -0.42 119.26 120.51 2hgj h ALA 49 Ca 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.63 2hgj h ALA 49 Cb 2.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 2hgj h ALA 49 CO -0.77 -0.95 -0.04 0.00 0.00 0.00 0.00 179.25 177.49 2hgj h ARG 50 N -0.27 0.20 0.65 0.00 3.08 0.05 -0.77 114.38 117.32 2hgj h ARG 50 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2hgj h ARG 50 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2hgj h ARG 50 CO 0.02 0.26 -0.33 0.82 -1.07 0.00 0.00 179.97 179.67 2hgj h ILE 51 N 0.20 0.00 -0.73 2.04 2.04 -0.97 -0.14 117.51 119.94 2hgj h ILE 51 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 2hgj h ILE 51 Cb 0.21 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.17 2hgj h ILE 51 CO 0.01 0.00 -0.44 -0.09 0.00 0.00 0.00 178.15 177.63 2hgj h ARG 52 N -0.89 -0.14 -0.81 2.37 2.43 -0.95 -0.33 114.38 116.06 2hgj h ARG 52 Ca -0.09 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2hgj h ARG 52 Cb 0.69 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.17 2hgj h ARG 52 CO 0.13 -0.09 -0.51 0.00 -1.51 0.00 0.00 179.97 177.99 2hgj h ALA 53 N 0.81 -0.51 -0.90 2.80 0.00 -0.84 0.66 119.26 121.28 2hgj h ALA 53 Ca 0.22 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2hgj h ALA 53 Cb 0.55 1.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 2hgj h ALA 53 CO -0.79 -0.86 0.58 0.37 0.00 0.00 0.00 179.25 178.54 2hgj h GLN 54 N -0.04 0.85 -0.24 0.00 5.75 0.45 0.12 115.11 122.00 2hgj h GLN 54 Ca 0.13 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2hgj h GLN 54 Cb 0.38 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.67 2hgj h GLN 54 CO -0.79 0.56 -0.24 0.00 -2.65 0.00 0.00 178.83 175.71 2hgj h ALA 55 N 1.56 -0.13 -0.61 3.38 0.00 0.19 0.10 119.26 123.75 2hgj h ALA 55 Ca 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2hgj h ALA 55 Cb 0.44 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2hgj h ALA 55 CO -0.18 -0.67 0.34 0.87 0.00 0.00 0.00 179.25 179.61 2hgj h LYS 56 N -0.25 0.84 0.30 0.00 1.57 0.11 -0.74 116.57 118.41 2hgj h LYS 56 Ca 0.13 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2hgj h LYS 56 Cb 0.46 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2hgj h LYS 56 CO -0.38 0.63 -0.52 0.00 -0.57 0.00 0.00 179.45 178.61 2hgj h ARG 57 N 0.82 -0.84 0.25 3.15 3.08 -0.31 0.03 114.38 120.56 2hgj h ARG 57 Ca 0.21 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 2hgj h ARG 57 Cb 0.03 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2hgj h ARG 57 CO -0.04 -0.56 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.02 2hgj h LEU 58 N -0.87 -0.56 -0.63 3.04 -0.00 -0.94 -0.75 115.31 114.61 2hgj h LEU 58 Ca -0.03 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.01 2hgj h LEU 58 Cb 0.81 0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 41.54 2hgj h LEU 58 CO -0.18 -0.32 -0.26 0.00 -0.00 0.00 0.00 178.44 177.68 2hgj h ALA 59 N 0.21 0.18 -0.13 1.53 0.00 -1.06 -0.57 119.26 119.42 2hgj h ALA 59 Ca -0.01 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2hgj h ALA 59 Cb 0.43 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2hgj h ALA 59 CO -0.03 -0.56 -0.26 1.49 0.00 0.00 0.00 179.25 179.89 2hgj h GLU 60 N -0.09 -0.22 -0.92 0.00 4.22 -0.32 -0.08 114.58 117.17 2hgj h GLU 60 Ca 0.27 0.02 0.20 0.00 0.08 0.00 0.00 59.36 59.93 2hgj h GLU 60 Cb 0.53 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 2hgj h GLU 60 CO -0.69 -0.15 0.47 0.07 -2.18 0.00 0.00 179.01 176.54 2hgj h ARG 61 N -0.23 0.53 -0.55 1.92 -0.00 -0.58 1.92 114.38 117.39 2hgj h ARG 61 Ca 0.03 -0.03 0.11 0.00 -0.00 0.00 0.00 59.98 60.08 2hgj h ARG 61 Cb 0.30 -0.12 -0.11 0.00 -0.00 0.00 0.00 29.97 30.04 2hgj h ARG 61 CO -0.25 0.35 -0.22 0.87 -0.00 0.00 0.00 179.97 180.73 2hgj h LYS 62 N 0.55 -0.09 0.20 0.08 1.57 0.48 -0.65 116.57 118.72 2hgj h LYS 62 Ca 0.55 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2hgj h LYS 62 Cb 0.96 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2hgj h LYS 62 CO -0.45 -0.06 -0.17 0.00 -0.57 0.00 0.00 179.45 178.20 2hgj h ALA 63 N 1.30 -0.37 -0.91 3.86 0.00 0.47 -0.06 119.26 123.55 2hgj h ALA 63 Ca 0.25 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2hgj h ALA 63 Cb 0.48 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2hgj h ALA 63 CO -0.61 -0.73 0.56 0.93 0.00 0.00 0.00 179.25 179.40 2hgj h GLU 64 N -0.39 0.91 0.00 0.00 5.08 -0.90 -0.72 114.58 118.55 2hgj h GLU 64 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2hgj h GLU 64 Cb 0.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2hgj h GLU 64 CO -0.02 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 2hgj n ALA 65 N -2.36 -0.15 -0.29 3.43 0.00 -0.28 -1.49 120.51 119.37 2hgj n ALA 65 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 2hgj n ALA 65 Cb 0.27 0.20 0.12 0.00 0.00 0.00 0.00 19.45 20.04 2hgj n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hgj n GLU 66 N -1.81 -0.07 0.04 0.00 4.71 -0.05 -0.21 120.64 123.25 2hgj n GLU 66 Ca 0.00 1.25 -0.11 0.00 -0.01 0.00 0.00 57.16 58.30 2hgj n GLU 66 Cb 0.00 -1.88 -0.04 0.00 -1.01 0.00 0.00 31.44 28.51 2hgj n GLU 66 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgj h ARG 67 N 0.00 -0.34 -0.46 3.49 -0.00 -0.63 -0.12 114.38 116.33 2hgj h ARG 67 Ca 0.39 0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.76 2hgj h ARG 67 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 2hgj h ARG 67 CO -0.83 -0.23 -0.22 -0.07 0.00 0.00 0.00 179.97 178.62 2hgj h LEU 68 N -0.35 0.97 -0.48 3.04 3.38 0.53 -1.50 115.31 120.90 2hgj h LEU 68 Ca 0.07 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2hgj h LEU 68 Cb 0.46 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2hgj h LEU 68 CO -0.24 1.15 0.25 0.07 0.09 0.00 0.00 178.44 179.75 2hgj h LYS 69 N 0.82 0.47 0.38 1.13 5.09 -0.66 -0.21 116.57 123.58 2hgj h LYS 69 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.80 2hgj h LYS 69 Cb 0.79 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.02 2hgj h LYS 69 CO 0.07 0.31 -0.18 0.87 -2.09 0.00 0.00 179.45 178.43 2hgj h LYS 70 N 0.49 -0.49 -0.85 0.07 1.57 -0.96 0.89 116.57 117.29 2hgj h LYS 70 Ca 0.21 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 2hgj h LYS 70 Cb 0.11 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.39 2hgj h LYS 70 CO -0.14 -0.32 -0.36 0.82 -0.57 0.00 0.00 179.45 178.87 2hgj h ILE 71 N -0.53 0.07 0.53 1.86 2.04 -1.14 -1.03 117.51 119.31 2hgj h ILE 71 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2hgj h ILE 71 Cb 0.39 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2hgj h ILE 71 CO 0.08 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.91 2hgj h LEU 72 N -0.06 -0.61 -1.89 1.44 3.38 -1.06 -1.13 115.31 115.39 2hgj h LEU 72 Ca 0.31 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.49 2hgj h LEU 72 Cb 0.59 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2hgj h LEU 72 CO -0.88 -0.35 0.61 -0.33 0.09 0.00 0.00 178.44 177.57 2hgj h GLU 73 N -0.88 0.00 0.18 1.13 5.08 -0.66 0.15 114.58 119.58 2hgj h GLU 73 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2hgj h GLU 73 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2hgj h GLU 73 CO 0.12 0.00 -0.09 -0.97 -1.00 0.00 0.00 179.01 177.07 2hgj h ASN 74 N 0.00 -0.21 -3.51 1.42 -1.24 -1.11 -3.48 115.58 107.45 2hgj h ASN 74 Ca 0.31 0.01 -0.55 0.00 0.71 0.00 0.00 56.30 56.78 2hgj h ASN 74 Cb 1.52 0.05 0.19 0.00 0.73 0.00 0.00 38.32 40.81 2hgj h ASN 74 CO -0.00 0.11 -0.24 0.18 -1.29 0.00 0.00 177.43 176.19 2hgj n LEU 75 N -4.11 1.57 -4.88 0.34 7.99 0.53 -5.01 117.00 113.43 2hgj n LEU 75 Ca -0.03 0.53 -0.33 0.00 -0.01 0.00 0.00 56.01 56.17 2hgj n LEU 75 Cb 0.10 -1.29 -0.05 0.00 -0.11 0.00 0.00 43.42 42.06 2hgj n LEU 75 CO 0.07 -2.84 0.02 0.42 -1.51 0.00 0.00 177.39 173.55 2hgj s THR 76 N -2.06 5.18 -0.49 -5.08 -4.23 -1.26 -4.77 115.64 102.93 2hgj s THR 76 Ca 0.66 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.32 2hgj s THR 76 Cb -0.30 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.05 2hgj s THR 76 CO 0.58 0.21 0.31 -1.48 -0.54 0.00 0.00 174.62 173.70 2hgj s LEU 77 N -2.17 5.42 -0.04 4.79 2.34 -0.12 -5.05 118.68 123.86 2hgj s LEU 77 Ca 0.35 -2.21 -0.03 0.00 0.06 0.00 0.00 54.13 52.30 2hgj s LEU 77 Cb -0.13 -1.90 -0.04 0.00 -0.56 0.00 0.00 46.19 43.57 2hgj s LEU 77 CO 0.20 -0.55 0.12 0.42 -1.06 0.00 0.00 176.35 175.49 2hgj s THR 78 N 0.90 5.12 -0.10 5.48 -4.23 -1.26 -0.67 115.64 120.89 2hgj s THR 78 Ca 0.10 -0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 2hgj s THR 78 Cb -0.23 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2hgj s THR 78 CO -0.03 0.42 0.23 -0.63 -0.54 0.00 0.00 174.62 174.06 2hgj s ILE 79 N -1.18 -0.04 -0.45 2.99 1.09 0.05 -4.94 121.20 118.72 2hgj s ILE 79 Ca 0.22 0.14 -0.29 0.00 -1.10 0.00 0.00 60.65 59.62 2hgj s ILE 79 Cb -0.12 -0.35 0.02 0.00 -1.06 0.00 0.00 42.46 40.94 2hgj s ILE 79 CO 0.13 0.06 1.33 -2.84 -0.10 0.00 0.00 174.94 173.51 2hgj s PRO 80 N 1.16 3.58 0.15 2.79 0.02 -1.26 -1.42 135.00 140.02 2hgj s PRO 80 Ca -0.09 0.75 -0.02 0.00 0.02 0.00 0.00 61.00 61.67 2hgj s PRO 80 Cb -0.10 -4.00 -0.05 0.00 0.02 0.00 0.00 34.50 30.37 2hgj s PRO 80 CO -0.07 -1.56 0.34 0.08 -0.33 0.00 0.00 177.00 175.45 2hgj s VAL 81 N 5.21 5.24 -0.51 3.83 1.01 0.18 -4.80 120.40 130.56 2hgj s VAL 81 Ca 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2hgj s VAL 81 Cb -0.11 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.73 2hgj s VAL 81 CO 0.32 -0.03 0.30 -0.60 0.00 0.00 0.00 175.10 175.08 2hgj s ARG 82 N -2.93 2.19 0.00 2.72 3.00 -1.26 -0.64 118.95 122.04 2hgj s ARG 82 Ca 0.38 -2.25 0.00 0.00 -1.00 0.00 0.00 55.73 52.86 2hgj s ARG 82 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 34.95 31.26 2hgj s ARG 82 CO 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 175.30 174.46 2hgj n ALA 83 N 3.86 0.00 -1.00 6.12 0.00 -1.26 -2.21 120.51 126.02 2hgj n ALA 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2hgj n ALA 83 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2hgj n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 84 N 0.00 0.86 2.43 0.00 0.00 -1.26 -4.89 105.19 102.33 2hgj n GLY 84 Ca 0.00 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 2hgj n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgj n GLU 85 N 0.00 3.35 0.00 1.61 4.71 -1.26 -4.76 120.64 124.29 2hgj n GLU 85 Ca 0.00 -4.25 0.00 0.00 -0.01 0.00 0.00 57.16 52.90 2hgj n GLU 85 Cb 0.00 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.17 2hgj n GLU 85 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2hgj n THR 86 N -0.56 0.00 -1.40 2.62 -1.04 -1.25 -4.96 114.28 107.69 2hgj n THR 86 Ca 0.43 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.99 2hgj n THR 86 Cb 0.67 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.17 2hgj n THR 86 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2hgj n LYS 87 N 0.00 0.23 -3.13 -2.82 4.76 -0.79 -3.37 118.16 113.04 2hgj n LYS 87 Ca 0.00 0.08 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 2hgj n LYS 87 Cb 0.00 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 2hgj n LYS 87 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2hgj s ILE 88 N -1.29 4.97 0.40 -0.18 1.09 0.17 -4.24 121.20 122.12 2hgj s ILE 88 Ca 0.62 0.10 0.24 0.00 -1.10 0.00 0.00 60.65 60.50 2hgj s ILE 88 Cb -0.76 -3.78 0.42 0.00 -1.06 0.00 0.00 42.46 37.28 2hgj s ILE 88 CO 0.59 -0.50 1.66 1.88 -0.10 0.00 0.00 174.94 178.47 2hgj h TYR 89 N 1.17 0.66 -3.23 3.97 0.99 -1.80 -3.40 116.97 115.34 2hgj h TYR 89 Ca -0.48 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2hgj h TYR 89 Cb 1.20 -0.17 0.00 0.00 1.00 0.00 0.00 36.73 38.76 2hgj h TYR 89 CO 0.57 -0.17 0.00 0.41 -0.00 0.00 0.00 178.16 178.97 2hgj n GLY 90 N -1.44 3.53 3.26 3.88 0.00 -1.26 -5.13 105.19 108.02 2hgj n GLY 90 Ca 0.34 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 2hgj n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hgj s SER 91 N -0.52 1.89 -0.59 1.61 1.04 -1.26 -4.91 113.70 110.97 2hgj s SER 91 Ca 0.00 -0.99 -0.14 0.00 0.48 0.00 0.00 55.95 55.30 2hgj s SER 91 Cb 0.00 -0.03 0.15 0.00 0.10 0.00 0.00 66.02 66.24 2hgj s SER 91 CO 0.00 -0.29 0.52 -0.69 0.98 0.00 0.00 173.24 173.76 2hgj s VAL 92 N -3.16 5.02 -0.08 5.02 1.01 -0.06 -5.00 120.40 123.16 2hgj s VAL 92 Ca 0.16 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.17 2hgj s VAL 92 Cb 0.01 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2hgj s VAL 92 CO 0.01 -0.89 0.31 0.28 0.00 0.00 0.00 175.10 174.82 2hgj s THR 93 N 1.16 5.23 0.41 3.92 -1.32 -1.26 -1.01 115.64 122.76 2hgj s THR 93 Ca 0.07 0.61 0.26 0.00 -1.21 0.00 0.00 61.69 61.42 2hgj s THR 93 Cb -0.24 -3.62 0.44 0.00 -1.51 0.00 0.00 72.50 67.56 2hgj s THR 93 CO -0.01 0.53 1.63 0.00 -2.21 0.00 0.00 174.62 174.56 2hgj h ALA 94 N 5.38 2.50 -0.07 11.08 0.00 -1.94 4.42 119.26 140.64 2hgj h ALA 94 Ca -0.49 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2hgj h ALA 94 Cb 1.21 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2hgj h ALA 94 CO 0.65 -1.14 -0.03 -0.22 0.00 0.00 0.00 179.25 178.51 2hgj h LYS 95 N 0.12 -0.02 -0.95 0.00 3.64 -1.92 0.54 116.57 117.98 2hgj h LYS 95 Ca 0.80 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 60.39 2hgj h LYS 95 Cb 2.33 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 33.98 2hgj h LYS 95 CO -0.50 -0.02 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.05 2hgj h ASP 96 N -0.02 -0.79 0.22 4.20 3.32 0.82 3.45 116.42 127.62 2hgj h ASP 96 Ca 0.04 0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.38 2hgj h ASP 96 Cb 0.08 0.56 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 2hgj h ASP 96 CO -0.08 -0.31 -0.40 0.40 -1.72 0.00 0.00 179.24 177.12 2hgj h ILE 97 N 0.01 0.18 -0.18 0.35 2.04 0.14 -0.90 117.51 119.16 2hgj h ILE 97 Ca 0.48 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.35 2hgj h ILE 97 Cb 0.79 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2hgj h ILE 97 CO -0.95 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 177.09 2hgj n ALA 98 N -2.77 -0.11 -0.22 1.87 0.00 1.13 0.13 120.51 120.53 2hgj n ALA 98 Ca -0.08 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 98 Cb 0.38 0.20 0.04 0.00 0.00 0.00 0.00 19.45 20.07 2hgj n ALA 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hgj h GLU 99 N 0.00 0.87 0.00 0.00 3.07 -0.99 -0.01 114.58 117.52 2hgj h GLU 99 Ca 0.03 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2hgj h GLU 99 Cb 0.07 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2hgj h GLU 99 CO -0.17 0.65 0.00 0.00 -1.40 0.00 0.00 179.01 178.09 2hgj n ALA 100 N -2.32 -0.06 0.10 3.43 0.00 0.12 -1.32 120.51 120.47 2hgj n ALA 100 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2hgj n ALA 100 Cb 0.08 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 2hgj n ALA 100 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2hgj h LEU 101 N 0.00 -0.35 0.00 0.00 -0.00 -0.85 -0.05 115.31 114.05 2hgj h LEU 101 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2hgj h LEU 101 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2hgj h LEU 101 CO 0.00 -0.20 0.00 -0.24 -0.00 0.00 0.00 178.44 178.00 2hgj n SER 102 N -5.25 0.00 0.02 0.17 2.88 -0.02 -0.95 113.62 110.46 2hgj n SER 102 Ca -0.07 0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.74 2hgj n SER 102 Cb 0.17 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 2hgj n SER 102 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2hgj n ARG 103 N -0.44 0.39 0.03 -1.46 0.00 -0.43 -0.91 116.66 113.83 2hgj n ARG 103 Ca 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.85 57.71 2hgj n ARG 103 Cb 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 32.46 30.96 2hgj n ARG 103 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2hgj h GLN 104 N 0.00 0.45 0.00 -0.14 7.50 -0.95 -3.37 115.11 118.60 2hgj h GLN 104 Ca 0.00 -0.30 -0.01 0.00 0.50 0.00 0.00 58.65 58.84 2hgj h GLN 104 Cb 0.80 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.37 2hgj h GLN 104 CO 0.00 0.90 -1.10 1.58 -1.50 0.00 0.00 178.83 178.71 2hgj n HIS 105 N -3.93 0.00 0.00 2.96 -0.00 -0.13 -5.02 115.22 109.10 2hgj n HIS 105 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2hgj n HIS 105 Cb 0.61 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 2hgj n HIS 105 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hgj n GLY 106 N 2.55 2.20 3.69 1.57 0.00 -0.09 -5.04 105.19 110.08 2hgj n GLY 106 Ca -0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2hgj n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgj s VAL 107 N 0.00 4.96 -0.18 1.61 1.01 -1.12 -4.67 120.40 122.01 2hgj s VAL 107 Ca 0.00 1.55 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 2hgj s VAL 107 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2hgj s VAL 107 CO 0.00 0.14 0.13 -0.89 0.00 0.00 0.00 175.10 174.49 2hgj s THR 108 N 1.45 5.44 -0.04 3.92 2.01 -1.26 -2.42 115.64 124.74 2hgj s THR 108 Ca 0.38 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.60 2hgj s THR 108 Cb -0.17 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.89 2hgj s THR 108 CO 0.16 0.49 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.87 2hgj s ILE 109 N -0.01 0.72 0.59 1.82 1.09 -1.26 -5.01 121.20 119.14 2hgj s ILE 109 Ca 0.10 -0.28 -0.18 0.00 -1.10 0.00 0.00 60.65 59.19 2hgj s ILE 109 Cb -0.11 -0.67 -0.08 0.00 -1.06 0.00 0.00 42.46 40.53 2hgj s ILE 109 CO -0.00 0.24 0.52 -0.90 -0.10 0.00 0.00 174.94 174.70 2hgj n ASP 110 N 3.60 -1.08 0.00 3.58 5.75 -1.26 -4.71 116.55 122.43 2hgj n ASP 110 Ca -0.21 0.72 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 2hgj n ASP 110 Cb 0.53 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 2hgj n ASP 110 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2hgj n PRO 111 N -0.13 0.00 0.00 0.11 -0.04 -1.26 -4.40 135.00 129.28 2hgj n PRO 111 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2hgj n PRO 111 Cb 0.48 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2hgj n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hgj n LYS 112 N 0.00 0.00 -0.54 0.54 4.76 -1.26 -4.45 118.16 117.21 2hgj n LYS 112 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 2hgj n LYS 112 Cb 0.00 0.00 0.28 0.00 -1.84 0.00 0.00 35.03 33.47 2hgj n LYS 112 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2hgj s ARG 113 N 0.00 -2.54 0.00 1.97 1.04 -1.26 -4.95 118.95 113.21 2hgj s ARG 113 Ca 0.00 0.09 0.00 0.00 -1.04 0.00 0.00 55.73 54.78 2hgj s ARG 113 Cb 0.00 -1.43 0.00 0.00 -2.04 0.00 0.00 34.95 31.48 2hgj s ARG 113 CO 0.00 -4.61 0.00 1.28 -0.04 0.00 0.00 175.30 171.93 2hgj n LEU 114 N -5.43 0.00 -4.12 -1.89 4.77 -1.24 -4.94 117.00 104.15 2hgj n LEU 114 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2hgj n LEU 114 Cb 0.60 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 2hgj n LEU 114 CO 0.43 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 176.25 2hgj s ALA 115 N -1.33 3.03 -0.29 -1.18 0.00 -1.18 -4.55 121.76 116.25 2hgj s ALA 115 Ca 0.00 -2.33 0.03 0.00 0.00 0.00 0.00 51.96 49.66 2hgj s ALA 115 Cb 0.00 -2.22 0.18 0.00 0.00 0.00 0.00 23.12 21.08 2hgj s ALA 115 CO 0.00 -1.64 0.51 -1.17 0.00 0.00 0.00 175.76 173.46 2hgj s LEU 116 N 1.14 -1.24 0.00 0.00 1.98 -1.26 -4.83 118.68 114.47 2hgj s LEU 116 Ca 0.05 0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.36 2hgj s LEU 116 Cb -0.21 1.66 0.00 0.00 0.66 0.00 0.00 46.19 48.30 2hgj s LEU 116 CO -0.04 -0.31 0.00 -0.62 -1.89 0.00 0.00 176.35 173.49 2hgj n GLU 117 N 5.39 0.00 -2.65 1.98 4.71 -1.26 -4.85 120.64 123.96 2hgj n GLU 117 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.80 2hgj n GLU 117 Cb 0.52 -0.06 -0.05 0.00 -1.01 0.00 0.00 31.44 30.84 2hgj n GLU 117 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2hgj s LYS 118 N 0.00 4.43 0.69 3.49 3.01 -1.26 -4.96 119.74 125.14 2hgj s LYS 118 Ca 0.00 1.46 -0.17 0.00 -1.01 0.00 0.00 55.97 56.25 2hgj s LYS 118 Cb 0.00 -2.74 -0.05 0.00 -1.01 0.00 0.00 37.83 34.03 2hgj s LYS 118 CO 0.00 0.11 0.57 -0.35 0.51 0.00 0.00 175.35 176.19 2hgj n PRO 119 N 0.39 0.39 -4.15 -1.68 -0.04 -1.26 -4.89 135.00 123.75 2hgj n PRO 119 Ca 0.03 0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 2hgj n PRO 119 Cb 0.49 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 2hgj n PRO 119 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2hgj s ILE 120 N -1.85 4.34 0.00 0.52 1.10 -0.18 -4.84 121.20 120.30 2hgj s ILE 120 Ca 0.67 -0.69 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 2hgj s ILE 120 Cb -0.37 -3.01 0.00 0.00 0.15 0.00 0.00 42.46 39.23 2hgj s ILE 120 CO 0.56 0.25 0.32 2.29 -2.11 0.00 0.00 174.94 176.26 2hgj n LYS 121 N 0.94 0.00 0.00 3.50 2.85 -1.26 -0.88 118.16 123.31 2hgj n LYS 121 Ca -0.12 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.18 2hgj n LYS 121 Cb 0.52 0.00 0.21 0.00 -0.65 0.00 0.00 35.03 35.11 2hgj n LYS 121 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hgj n GLU 122 N 0.00 0.32 -1.47 -1.58 -0.58 -1.26 -0.66 120.64 115.41 2hgj n GLU 122 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2hgj n GLU 122 Cb 0.48 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 2hgj n GLU 122 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2hgj n LEU 123 N -0.85 -1.37 0.00 -4.62 7.94 -1.22 -3.43 117.00 113.47 2hgj n LEU 123 Ca 0.05 2.22 0.00 0.00 -1.11 0.00 0.00 56.01 57.17 2hgj n LEU 123 Cb 0.02 -2.81 0.00 0.00 0.53 0.00 0.00 43.42 41.16 2hgj n LEU 123 CO 0.04 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.51 2hgj n GLY 124 N -2.15 0.16 3.17 -3.96 0.00 -0.17 -4.78 105.19 97.46 2hgj n GLY 124 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 2hgj n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hgj s GLU 125 N 0.00 0.53 0.06 1.61 4.04 -1.24 -0.24 118.70 123.45 2hgj s GLU 125 Ca 0.00 -0.19 0.01 0.00 0.04 0.00 0.00 54.97 54.83 2hgj s GLU 125 Cb 0.00 0.23 -0.03 0.00 0.02 0.00 0.00 34.13 34.35 2hgj s GLU 125 CO 0.00 -0.13 -0.05 0.71 -1.84 0.00 0.00 175.26 173.94 2hgj s TYR 126 N -1.11 0.64 -0.08 4.83 2.02 -0.03 -4.92 117.35 118.71 2hgj s TYR 126 Ca -0.12 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 2hgj s TYR 126 Cb -0.06 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2hgj s TYR 126 CO 0.03 -0.19 -0.06 0.08 -1.57 0.00 0.00 175.55 173.83 2hgj s VAL 127 N -2.74 0.79 0.30 0.71 1.01 -1.25 -0.73 120.40 118.49 2hgj s VAL 127 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2hgj s VAL 127 Cb -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2hgj s VAL 127 CO -0.04 0.31 0.25 -0.11 0.00 0.00 0.00 175.10 175.51 2hgj n LEU 128 N 4.54 0.00 -4.43 3.92 -0.00 -0.40 -4.89 117.00 115.74 2hgj n LEU 128 Ca -0.16 -2.86 -0.42 0.00 -0.00 0.00 0.00 56.01 52.56 2hgj n LEU 128 Cb 0.51 1.49 -0.10 0.00 -0.00 0.00 0.00 43.42 45.31 2hgj n LEU 128 CO 0.19 -0.47 -0.10 0.28 -0.00 0.00 0.00 177.39 177.29 2hgj s THR 129 N -3.21 5.04 -0.27 1.96 -1.32 -1.26 -0.98 115.64 115.60 2hgj s THR 129 Ca 0.35 -0.74 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 2hgj s THR 129 Cb 0.02 -3.81 0.05 0.00 -1.51 0.00 0.00 72.50 67.24 2hgj s THR 129 CO 0.25 -0.30 -0.08 -0.31 -2.21 0.00 0.00 174.62 171.97 2hgj s TYR 130 N 1.64 3.22 0.23 9.09 1.51 -0.00 -3.12 117.35 129.92 2hgj s TYR 130 Ca 0.04 -2.10 -0.30 0.00 -1.01 0.00 0.00 57.07 53.70 2hgj s TYR 130 Cb -0.19 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 2hgj s TYR 130 CO 0.09 -0.84 1.31 -1.59 -1.11 0.00 0.00 175.55 173.41 2hgj s LYS 131 N 1.17 4.38 -0.12 -0.62 0.00 -1.26 -1.14 119.74 122.16 2hgj s LYS 131 Ca -0.06 2.10 -0.01 0.00 0.00 0.00 0.00 55.97 57.99 2hgj s LYS 131 Cb -0.19 -3.16 -0.07 0.00 0.00 0.00 0.00 37.83 34.40 2hgj s LYS 131 CO -0.04 -0.23 -0.12 -0.35 0.00 0.00 0.00 175.35 174.60 2hgj n PRO 132 N 2.20 0.29 -4.27 1.78 -0.04 -1.25 -3.68 135.00 130.03 2hgj n PRO 132 Ca 0.05 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 2hgj n PRO 132 Cb 0.42 -1.17 -0.15 0.00 -0.04 0.00 0.00 33.50 32.57 2hgj n PRO 132 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2hgj s HIS 133 N -2.24 0.66 0.00 0.54 5.65 -0.53 -5.05 115.29 114.32 2hgj s HIS 133 Ca -0.16 -0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.02 2hgj s HIS 133 Cb 0.05 -0.43 0.00 0.00 -1.18 0.00 0.00 32.58 31.01 2hgj s HIS 133 CO 0.26 -0.02 0.00 -2.30 -0.65 0.00 0.00 174.74 172.03 2hgj n PRO 134 N 2.97 0.00 -0.55 2.88 -0.02 -1.26 -0.62 135.00 138.39 2hgj n PRO 134 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2hgj n PRO 134 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2hgj n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2hgj n GLU 135 N 0.00 0.00 -3.80 -0.52 -0.00 -1.26 -4.91 120.64 110.15 2hgj n GLU 135 Ca 0.00 -1.05 -0.30 0.00 -0.00 0.00 0.00 57.16 55.81 2hgj n GLU 135 Cb 0.00 -0.47 -0.14 0.00 -0.00 0.00 0.00 31.44 30.83 2hgj n GLU 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2hgj s VAL 136 N 0.00 1.60 0.31 3.84 -7.23 0.21 -5.13 120.40 113.99 2hgj s VAL 136 Ca 0.02 -2.37 -0.14 0.00 -1.81 0.00 0.00 61.98 57.68 2hgj s VAL 136 Cb 0.02 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 2hgj s VAL 136 CO -0.01 -0.78 0.70 -2.16 -0.31 0.00 0.00 175.10 172.54 2hgj s PRO 137 N 0.63 3.97 -0.25 4.82 0.04 -1.25 -1.45 135.00 141.51 2hgj s PRO 137 Ca 0.15 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.80 2hgj s PRO 137 Cb -0.22 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 31.89 2hgj s PRO 137 CO -0.07 0.19 -0.10 -1.50 0.04 0.00 0.00 177.00 175.55 2hgj s ILE 138 N -1.95 2.38 -0.07 0.56 1.10 -0.29 -4.81 121.20 118.13 2hgj s ILE 138 Ca 0.53 -1.37 -0.02 0.00 -0.51 0.00 0.00 60.65 59.28 2hgj s ILE 138 Cb -0.10 -2.29 -0.03 0.00 0.15 0.00 0.00 42.46 40.18 2hgj s ILE 138 CO 0.18 0.10 0.02 0.00 -2.11 0.00 0.00 174.94 173.14 2hgj s GLN 139 N 1.19 3.00 0.06 3.50 0.00 -1.26 -0.82 119.66 125.34 2hgj s GLN 139 Ca -0.04 -0.42 -0.11 0.00 -0.00 0.00 0.00 55.36 54.79 2hgj s GLN 139 Cb -0.18 -2.82 0.01 0.00 0.00 0.00 0.00 33.01 30.02 2hgj s GLN 139 CO -0.06 0.69 0.24 -0.51 0.00 0.00 0.00 175.29 175.65 2hgj s LEU 140 N -1.10 1.19 -0.81 2.60 1.43 -0.15 -4.71 118.68 117.12 2hgj s LEU 140 Ca 0.16 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 2hgj s LEU 140 Cb -0.11 1.14 0.11 0.00 0.03 0.00 0.00 46.19 47.35 2hgj s LEU 140 CO 0.05 -0.63 1.04 -1.59 0.23 0.00 0.00 176.35 175.44 2hgj s LYS 141 N -2.95 3.40 -0.42 1.70 -2.85 -1.26 -1.27 119.74 116.08 2hgj s LYS 141 Ca -0.02 -1.44 -0.10 0.00 -1.00 0.00 0.00 55.97 53.42 2hgj s LYS 141 Cb 0.01 -4.64 0.07 0.00 -2.06 0.00 0.00 37.83 31.21 2hgj s LYS 141 CO -0.06 -1.76 0.27 0.08 0.10 0.00 0.00 175.35 173.97 2hgj s VAL 142 N 3.10 4.33 -0.15 1.79 1.01 0.09 -0.94 120.40 129.64 2hgj s VAL 142 Ca 0.27 -1.34 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 2hgj s VAL 142 Cb -0.10 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2hgj s VAL 142 CO -0.02 -0.50 0.32 -0.94 0.00 0.00 0.00 175.10 173.97 2hgj s SER 143 N 2.12 6.48 -0.01 3.32 1.04 0.15 -0.85 113.70 125.95 2hgj s SER 143 Ca 0.03 0.56 0.01 0.00 0.48 0.00 0.00 55.95 57.04 2hgj s SER 143 Cb -0.23 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2hgj s SER 143 CO 0.03 0.10 -0.05 0.54 0.98 0.00 0.00 173.24 174.84 2hgj s VAL 144 N 0.41 0.43 0.07 5.02 0.11 0.66 -0.77 120.40 126.34 2hgj s VAL 144 Ca 0.18 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 2hgj s VAL 144 Cb -0.13 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2hgj s VAL 144 CO 0.05 0.15 0.29 -0.69 -3.33 0.00 0.00 175.10 171.57 2hgj s VAL 145 N 0.19 0.10 0.17 2.04 1.01 -0.51 -0.99 120.40 122.40 2hgj s VAL 145 Ca -0.02 -0.79 -0.34 0.00 0.00 0.00 0.00 61.98 60.83 2hgj s VAL 145 Cb -0.06 -1.09 -0.14 0.00 0.00 0.00 0.00 36.38 35.09 2hgj s VAL 145 CO -0.00 -0.44 1.48 0.00 0.00 0.00 0.00 175.10 176.14 2hgj n ALA 146 N 0.25 0.86 0.80 5.51 0.00 -1.26 -0.65 120.51 126.02 2hgj n ALA 146 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2hgj n ALA 146 Cb 0.61 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2hgj n ALA 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hgj n GLN 147 N 2.85 0.73 -0.48 0.00 3.00 0.19 -4.74 117.38 118.92 2hgj n GLN 147 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2hgj n GLN 147 Cb 0.28 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.19 2hgj n GLN 147 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45