#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk8 s VAL 3 N 0.00 5.36 -0.30 2.03 1.01 -1.26 -5.05 120.40 122.19 1gk8 s VAL 3 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1gk8 s VAL 3 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1gk8 s VAL 3 CO 0.00 0.41 1.15 0.86 0.00 0.00 0.00 175.10 177.52 1gk8 s TRP 4 N 0.41 3.01 0.26 5.22 -0.11 -1.26 -4.97 118.94 121.50 1gk8 s TRP 4 Ca 0.12 1.10 -0.29 0.00 1.22 0.00 0.00 56.10 58.25 1gk8 s TRP 4 Cb -0.12 -3.72 -0.09 0.00 -1.50 0.00 0.00 33.47 28.03 1gk8 s TRP 4 CO 0.01 -1.08 1.23 -0.08 -4.62 0.00 0.00 176.95 172.41 1gk8 s THR 5 N 3.81 3.19 -1.55 5.86 -1.32 -1.26 -4.90 115.64 119.48 1gk8 s THR 5 Ca 0.49 1.11 0.27 0.00 -1.21 0.00 0.00 61.69 62.35 1gk8 s THR 5 Cb -0.14 -3.71 0.27 0.00 -1.51 0.00 0.00 72.50 67.41 1gk8 s THR 5 CO 0.17 0.23 1.64 -0.81 -2.21 0.00 0.00 174.62 173.64 1gk8 n PRO 6 N 1.64 0.60 -3.62 7.08 -0.04 -1.26 -4.78 135.00 134.62 1gk8 n PRO 6 Ca 0.02 -0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 62.81 1gk8 n PRO 6 Cb 0.43 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1gk8 n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gk8 s VAL 7 N -2.61 5.34 -1.33 0.52 1.01 -1.26 -4.51 120.40 117.56 1gk8 s VAL 7 Ca 0.23 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1gk8 s VAL 7 Cb 0.19 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1gk8 s VAL 7 CO 0.54 0.37 0.54 0.59 0.00 0.00 0.00 175.10 177.14 1gk8 n ASN 8 N 3.90 -1.48 -1.89 3.32 5.03 -1.26 -4.88 115.26 118.00 1gk8 n ASN 8 Ca -0.14 -0.98 -0.02 0.00 0.87 0.00 0.00 54.58 54.31 1gk8 n ASN 8 Cb 0.52 -3.26 0.06 0.00 -1.02 0.00 0.00 39.78 36.08 1gk8 n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1gk8 n ASN 9 N -2.93 1.97 -4.77 6.41 4.05 -1.26 -5.08 115.26 113.64 1gk8 n ASN 9 Ca -0.26 -2.62 -0.36 0.00 0.45 0.00 0.00 54.58 51.79 1gk8 n ASN 9 Cb 0.67 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.27 1gk8 n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1gk8 s LYS 10 N -2.42 3.45 0.30 1.20 1.02 -1.26 -5.04 119.74 117.00 1gk8 s LYS 10 Ca 0.35 1.69 0.09 0.00 0.02 0.00 0.00 55.97 58.12 1gk8 s LYS 10 Cb 0.37 -2.13 -0.06 0.00 -0.52 0.00 0.00 37.83 35.49 1gk8 s LYS 10 CO -0.07 -0.78 -0.10 -1.64 -0.92 0.00 0.00 175.35 171.83 1gk8 s MET 11 N -3.09 1.66 -0.31 1.68 -1.94 -1.26 -5.08 119.30 110.95 1gk8 s MET 11 Ca 0.70 -1.83 0.14 0.00 -1.71 0.00 0.00 55.69 53.00 1gk8 s MET 11 Cb -0.26 -1.47 0.47 0.00 2.01 0.00 0.00 34.83 35.58 1gk8 s MET 11 CO 0.30 0.14 1.10 1.19 -0.01 0.00 0.00 175.02 177.74 1gk8 n PHE 12 N -0.66 2.04 -4.82 -0.03 3.01 -1.26 -5.10 117.46 110.64 1gk8 n PHE 12 Ca -0.05 -2.47 0.00 0.00 1.01 0.00 0.00 57.45 55.93 1gk8 n PHE 12 Cb 0.63 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1gk8 n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1gk8 n GLU 13 N -0.50 0.00 -1.72 -1.08 -0.58 -1.26 -4.59 120.64 110.91 1gk8 n GLU 13 Ca 0.24 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.56 1gk8 n GLU 13 Cb 0.83 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.67 1gk8 n GLU 13 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1gk8 s THR 14 N 0.00 2.19 0.00 2.62 2.01 -1.26 -1.66 115.64 119.53 1gk8 s THR 14 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1gk8 s THR 14 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1gk8 s THR 14 CO 0.00 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.42 1gk8 n PHE 15 N 4.53 0.00 0.29 4.92 0.99 -1.26 -4.57 117.46 122.36 1gk8 n PHE 15 Ca 0.16 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.79 1gk8 n PHE 15 Cb 0.36 0.00 0.67 0.00 -1.00 0.00 0.00 39.48 39.51 1gk8 n PHE 15 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1gk8 h SER 16 N 0.00 0.00 -0.06 4.37 0.02 -1.61 -2.56 113.55 113.71 1gk8 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gk8 h SER 16 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gk8 h SER 16 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1gk8 n TYR 17 N -3.04 0.06 -3.13 3.45 4.02 -1.26 -4.92 117.16 112.33 1gk8 n TYR 17 Ca 0.01 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.90 57.67 1gk8 n TYR 17 Cb 0.30 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.63 1gk8 n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1gk8 s LEU 18 N -1.93 3.72 0.55 7.72 1.43 -0.97 -5.08 118.68 124.14 1gk8 s LEU 18 Ca 0.33 -0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1gk8 s LEU 18 Cb 0.20 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.50 1gk8 s LEU 18 CO 0.31 -0.67 0.83 -2.65 0.23 0.00 0.00 176.35 174.40 1gk8 n PRO 19 N -1.90 0.86 -1.57 1.29 -0.02 -1.26 -4.85 135.00 127.55 1gk8 n PRO 19 Ca 0.03 0.33 -0.49 0.00 -2.02 0.00 0.00 63.50 61.35 1gk8 n PRO 19 Cb 0.58 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1gk8 n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gk8 n PRO 20 N -0.46 1.08 -2.12 0.52 -0.02 -1.26 -4.83 135.00 127.91 1gk8 n PRO 20 Ca 0.12 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1gk8 n PRO 20 Cb 0.46 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1gk8 n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1gk8 s LEU 21 N 0.71 3.97 1.23 2.45 1.43 -1.26 -5.01 118.68 122.20 1gk8 s LEU 21 Ca 0.73 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 55.40 1gk8 s LEU 21 Cb -0.86 -3.53 0.31 0.00 0.03 0.00 0.00 46.19 42.13 1gk8 s LEU 21 CO 0.53 -1.18 1.00 0.42 0.23 0.00 0.00 176.35 177.35 1gk8 s THR 22 N 4.93 1.89 0.26 5.49 -4.23 -1.26 -4.78 115.64 117.94 1gk8 s THR 22 Ca 0.71 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1gk8 s THR 22 Cb -0.26 -2.03 0.14 0.00 1.34 0.00 0.00 72.50 71.69 1gk8 s THR 22 CO 0.28 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.59 1gk8 h ASP 23 N -2.84 0.84 -0.58 3.99 3.32 -1.99 -1.47 116.42 117.69 1gk8 h ASP 23 Ca -0.61 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.23 1gk8 h ASP 23 Cb 1.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1gk8 h ASP 23 CO 0.48 0.83 0.17 -0.33 -1.72 0.00 0.00 179.24 178.66 1gk8 h GLU 24 N 0.85 0.90 -0.56 3.56 3.07 -1.98 0.49 114.58 120.91 1gk8 h GLU 24 Ca 0.18 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1gk8 h GLU 24 Cb 0.34 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1gk8 h GLU 24 CO 0.00 0.82 -0.04 1.96 -1.40 0.00 0.00 179.01 180.36 1gk8 h GLN 25 N 0.82 1.01 -0.21 2.33 4.20 -1.84 -0.87 115.11 120.55 1gk8 h GLN 25 Ca 0.18 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1gk8 h GLN 25 Cb 0.30 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1gk8 h GLN 25 CO -0.00 1.01 0.10 0.82 -0.67 0.00 0.00 178.83 180.09 1gk8 h ILE 26 N 0.91 1.13 -0.90 2.54 2.04 -1.10 -2.21 117.51 119.92 1gk8 h ILE 26 Ca 0.16 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1gk8 h ILE 26 Cb 0.58 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1gk8 h ILE 26 CO 0.04 0.13 0.59 0.00 0.00 0.00 0.00 178.15 178.90 1gk8 h ALA 27 N 0.97 1.49 -0.77 1.87 0.00 -0.74 -1.25 119.26 120.83 1gk8 h ALA 27 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1gk8 h ALA 27 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1gk8 h ALA 27 CO -0.01 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.93 1gk8 h ALA 28 N 1.50 1.00 -0.63 0.00 0.00 -0.94 -0.39 119.26 119.80 1gk8 h ALA 28 Ca 0.38 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1gk8 h ALA 28 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1gk8 h ALA 28 CO -0.14 0.62 0.14 1.96 0.00 0.00 0.00 179.25 181.84 1gk8 h GLN 29 N 1.11 1.00 -0.79 0.00 1.08 -0.68 -1.56 115.11 115.26 1gk8 h GLN 29 Ca 0.26 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1gk8 h GLN 29 Cb 0.21 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1gk8 h GLN 29 CO -0.02 0.90 0.44 0.28 -0.95 0.00 0.00 178.83 179.48 1gk8 h VAL 30 N 0.95 1.24 -0.68 -0.54 2.07 -0.81 -1.67 116.25 116.81 1gk8 h VAL 30 Ca 0.20 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1gk8 h VAL 30 Cb 0.36 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1gk8 h VAL 30 CO 0.00 0.26 0.31 0.44 0.02 0.00 0.00 177.57 178.61 1gk8 h ASP 31 N 1.10 0.88 -0.73 0.57 3.32 -0.76 -1.73 116.42 119.07 1gk8 h ASP 31 Ca 0.28 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1gk8 h ASP 31 Cb 0.02 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1gk8 h ASP 31 CO -0.05 0.76 0.22 0.22 -1.72 0.00 0.00 179.24 178.67 1gk8 h TYR 32 N 0.96 1.18 -0.01 4.55 3.20 -0.76 0.11 116.97 126.21 1gk8 h TYR 32 Ca 0.23 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1gk8 h TYR 32 Cb 0.12 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1gk8 h TYR 32 CO 0.01 0.94 -0.19 0.82 -1.64 0.00 0.00 178.16 178.10 1gk8 h ILE 33 N 1.09 0.55 -0.61 1.81 2.04 -0.72 -2.54 117.51 119.12 1gk8 h ILE 33 Ca 0.23 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 1gk8 h ILE 33 Cb 0.32 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1gk8 h ILE 33 CO -0.01 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.76 1gk8 h VAL 34 N -0.30 1.26 -0.35 1.67 2.07 -1.12 -1.84 116.25 117.64 1gk8 h VAL 34 Ca 0.06 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1gk8 h VAL 34 Cb 0.38 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1gk8 h VAL 34 CO -0.19 0.40 0.20 0.00 0.02 0.00 0.00 177.57 178.01 1gk8 h ALA 35 N 1.00 1.69 -0.02 1.67 0.00 -0.68 -2.36 119.26 120.56 1gk8 h ALA 35 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gk8 h ALA 35 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gk8 h ALA 35 CO 0.02 0.27 -0.02 0.09 0.00 0.00 0.00 179.25 179.62 1gk8 n ASN 36 N -4.45 2.36 -0.39 0.00 3.02 -0.97 -4.96 115.26 109.87 1gk8 n ASN 36 Ca 0.02 -1.77 -0.04 0.00 -0.03 0.00 0.00 54.58 52.75 1gk8 n ASN 36 Cb 0.09 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1gk8 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk8 n GLY 37 N 1.28 0.58 3.92 7.41 0.00 -0.87 -5.02 105.19 112.49 1gk8 n GLY 37 Ca 0.16 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1gk8 n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gk8 s TRP 38 N -2.18 3.15 -0.40 1.61 0.51 -0.75 -4.98 118.94 115.90 1gk8 s TRP 38 Ca 0.00 0.60 -0.12 0.00 -2.12 0.00 0.00 56.10 54.46 1gk8 s TRP 38 Cb 0.00 -2.90 0.04 0.00 -0.81 0.00 0.00 33.47 29.80 1gk8 s TRP 38 CO 0.00 -1.02 0.26 0.42 -0.51 0.00 0.00 176.95 176.10 1gk8 s ILE 39 N -3.09 4.79 0.50 2.03 1.01 -0.25 -4.71 121.20 121.48 1gk8 s ILE 39 Ca 0.56 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1gk8 s ILE 39 Cb -0.11 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1gk8 s ILE 39 CO 0.45 -0.34 1.23 -2.84 0.00 0.00 0.00 174.94 173.44 1gk8 s PRO 40 N 1.58 3.51 -0.10 2.79 0.02 -1.26 -0.87 135.00 140.67 1gk8 s PRO 40 Ca 0.03 1.92 -0.20 0.00 0.02 0.00 0.00 61.00 62.77 1gk8 s PRO 40 Cb -0.20 -2.33 0.05 0.00 0.02 0.00 0.00 34.50 32.03 1gk8 s PRO 40 CO 0.07 -0.79 0.49 0.00 -0.33 0.00 0.00 177.00 176.44 1gk8 s LEU 42 N -0.65 3.44 0.06 0.00 1.43 -1.26 -0.52 118.68 121.17 1gk8 s LEU 42 Ca -0.07 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1gk8 s LEU 42 Cb -0.03 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1gk8 s LEU 42 CO 0.04 0.27 -0.09 -1.61 0.23 0.00 0.00 176.35 175.20 1gk8 s GLU 43 N -1.59 0.63 0.08 1.70 2.02 -0.71 -0.73 118.70 120.10 1gk8 s GLU 43 Ca 0.19 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 1gk8 s GLU 43 Cb -0.11 -0.39 0.01 0.00 0.10 0.00 0.00 34.13 33.73 1gk8 s GLU 43 CO 0.10 0.07 0.24 -0.59 0.02 0.00 0.00 175.26 175.10 1gk8 s PHE 44 N -1.68 0.05 -0.11 1.61 -0.12 0.08 -0.80 117.98 117.01 1gk8 s PHE 44 Ca -0.05 -0.40 -0.17 0.00 -0.05 0.00 0.00 56.93 56.26 1gk8 s PHE 44 Cb -0.08 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1gk8 s PHE 44 CO 0.00 -0.55 0.44 0.00 -0.05 0.00 0.00 175.22 175.06 1gk8 s ALA 45 N -3.51 -1.10 0.85 1.99 0.00 -0.24 -0.86 121.76 118.90 1gk8 s ALA 45 Ca 0.02 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1gk8 s ALA 45 Cb 0.03 -0.42 0.11 0.00 0.00 0.00 0.00 23.12 22.84 1gk8 s ALA 45 CO -0.09 -0.25 1.10 -1.83 0.00 0.00 0.00 175.76 174.70 1gk8 s GLU 46 N -0.38 1.57 0.28 0.00 -1.05 -1.26 -0.65 118.70 117.21 1gk8 s GLU 46 Ca -0.05 1.21 0.01 0.00 -0.15 0.00 0.00 54.97 55.99 1gk8 s GLU 46 Cb -0.03 -1.82 0.54 0.00 -0.44 0.00 0.00 34.13 32.38 1gk8 s GLU 46 CO 0.03 -2.14 1.85 0.00 0.95 0.00 0.00 175.26 175.95 1gk8 h ALA 47 N -1.49 1.51 0.00 -0.84 0.00 -1.96 -0.11 119.26 116.36 1gk8 h ALA 47 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gk8 h ALA 47 Cb 1.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gk8 h ALA 47 CO 0.49 0.26 0.00 -0.44 0.00 0.00 0.00 179.25 179.56 1gk8 h ASP 48 N 1.02 0.00 -0.18 0.00 3.32 -1.99 -2.79 116.42 115.80 1gk8 h ASP 48 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1gk8 h ASP 48 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1gk8 h ASP 48 CO -0.24 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.57 1gk8 n LYS 49 N -2.60 2.64 0.00 3.56 4.76 -0.10 -4.72 118.16 121.71 1gk8 n LYS 49 Ca 0.01 -2.22 0.04 0.00 -2.87 0.00 0.00 58.31 53.27 1gk8 n LYS 49 Cb 0.22 -1.40 -0.11 0.00 -1.84 0.00 0.00 35.03 31.90 1gk8 n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gk8 n ALA 50 N -0.33 2.25 -2.80 7.82 0.00 -0.93 -4.80 120.51 121.72 1gk8 n ALA 50 Ca 0.12 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 1gk8 n ALA 50 Cb 0.54 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 1gk8 n ALA 50 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1gk8 s TYR 51 N -3.12 3.08 0.18 0.00 1.51 -1.26 -4.98 117.35 112.76 1gk8 s TYR 51 Ca -0.06 -0.05 -0.32 0.00 -1.01 0.00 0.00 57.07 55.63 1gk8 s TYR 51 Cb 0.10 -1.88 -0.16 0.00 -0.11 0.00 0.00 41.96 39.92 1gk8 s TYR 51 CO 0.85 0.21 1.09 1.55 -1.11 0.00 0.00 175.55 178.13 1gk8 n VAL 52 N 2.88 1.10 -4.04 0.71 3.14 -1.26 -4.71 118.33 116.14 1gk8 n VAL 52 Ca -0.18 -0.27 -0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1gk8 n VAL 52 Cb 0.53 -0.76 -0.03 0.00 -1.06 0.00 0.00 33.84 32.51 1gk8 n VAL 52 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1gk8 s SER 53 N -0.16 0.59 -0.01 6.55 1.04 -0.48 -4.98 113.70 116.26 1gk8 s SER 53 Ca 0.71 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1gk8 s SER 53 Cb -0.86 0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1gk8 s SER 53 CO 0.54 -1.32 0.80 0.59 0.98 0.00 0.00 173.24 174.83 1gk8 n ASN 54 N -1.20 1.11 0.20 7.02 3.02 -1.26 -0.37 115.26 123.77 1gk8 n ASN 54 Ca -0.01 -1.63 0.04 0.00 -0.03 0.00 0.00 54.58 52.95 1gk8 n ASN 54 Cb 0.61 -0.02 0.43 0.00 -0.61 0.00 0.00 39.78 40.19 1gk8 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1gk8 h GLU 55 N 0.00 0.02 0.00 3.52 9.09 -1.98 -2.03 114.58 123.20 1gk8 h GLU 55 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1gk8 h GLU 55 Cb 0.76 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 1gk8 h GLU 55 CO 0.00 0.28 0.00 0.77 0.05 0.00 0.00 179.01 180.11 1gk8 h SER 56 N 0.02 0.00 0.28 3.06 0.02 -2.00 -2.87 113.55 112.06 1gk8 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gk8 h SER 56 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1gk8 h SER 56 CO 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1gk8 n ALA 57 N -1.94 1.35 0.27 3.77 0.00 -0.76 -1.55 120.51 121.65 1gk8 n ALA 57 Ca 0.01 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1gk8 n ALA 57 Cb 0.27 -1.15 0.75 0.00 0.00 0.00 0.00 19.45 19.31 1gk8 n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1gk8 h ILE 58 N 0.00 0.81 -0.01 0.00 2.10 -1.71 -1.82 117.51 116.88 1gk8 h ILE 58 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gk8 h ILE 58 Cb 0.14 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1gk8 h ILE 58 CO 0.00 0.00 -0.04 0.54 -1.08 0.00 0.00 178.15 177.57 1gk8 n ARG 59 N -4.27 1.27 -3.96 2.19 1.74 -0.60 -4.96 116.66 108.07 1gk8 n ARG 59 Ca -0.03 -0.57 -0.26 0.00 -0.77 0.00 0.00 57.85 56.22 1gk8 n ARG 59 Cb 0.10 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1gk8 n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1gk8 s PHE 60 N -2.13 3.45 0.00 -1.55 2.99 -0.69 -5.12 117.98 114.94 1gk8 s PHE 60 Ca 0.38 0.10 0.00 0.00 0.00 0.00 0.00 56.93 57.40 1gk8 s PHE 60 Cb 0.21 -1.64 0.00 0.00 0.00 0.00 0.00 43.02 41.58 1gk8 s PHE 60 CO 0.38 0.51 0.00 0.41 -0.00 0.00 0.00 175.22 176.53 1gk8 n GLY 61 N -0.59 0.43 2.52 4.36 0.00 -1.26 -4.89 105.19 105.76 1gk8 n GLY 61 Ca -0.07 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1gk8 n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gk8 n SER 62 N 0.00 6.94 -0.87 1.61 7.64 -1.26 -4.34 113.62 123.34 1gk8 n SER 62 Ca 0.00 -3.25 0.05 0.00 1.01 0.00 0.00 58.87 56.69 1gk8 n SER 62 Cb 0.00 -1.25 0.14 0.00 -1.01 0.00 0.00 64.21 62.09 1gk8 n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gk8 n VAL 63 N 0.96 1.44 0.81 0.44 0.24 -1.26 -4.79 118.33 116.16 1gk8 n VAL 63 Ca 0.52 -2.42 0.13 0.00 -2.04 0.00 0.00 64.34 60.53 1gk8 n VAL 63 Cb 0.45 0.18 0.52 0.00 -1.47 0.00 0.00 33.84 33.51 1gk8 n VAL 63 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1gk8 n SER 64 N -0.59 0.33 -4.69 -1.34 7.64 -1.26 -4.77 113.62 108.93 1gk8 n SER 64 Ca 0.14 0.54 -0.55 0.00 1.01 0.00 0.00 58.87 60.01 1gk8 n SER 64 Cb 0.84 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 1gk8 n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gk8 n LEU 66 N 5.34 -1.51 -4.49 0.00 4.77 -1.26 -4.97 117.00 114.88 1gk8 n LEU 66 Ca 0.25 0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 1gk8 n LEU 66 Cb 0.17 -2.38 -0.12 0.00 -2.33 0.00 0.00 43.42 38.76 1gk8 n LEU 66 CO 0.77 -0.07 -0.29 -0.47 -1.33 0.00 0.00 177.39 176.00 1gk8 s TYR 67 N -2.80 3.10 0.01 -1.77 5.04 0.03 -5.10 117.35 115.87 1gk8 s TYR 67 Ca 0.08 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1gk8 s TYR 67 Cb -0.04 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.09 1gk8 s TYR 67 CO 0.10 -0.22 -0.03 0.71 -1.34 0.00 0.00 175.55 174.77 1gk8 s TYR 68 N 1.19 0.27 0.53 4.97 2.02 -1.26 -4.98 117.35 120.08 1gk8 s TYR 68 Ca 0.04 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 1gk8 s TYR 68 Cb -0.14 -0.18 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 1gk8 s TYR 68 CO 0.03 -0.08 1.00 -0.51 -1.57 0.00 0.00 175.55 174.41 1gk8 s ASP 69 N -0.79 6.49 -0.45 2.29 1.01 0.50 -4.25 116.67 121.46 1gk8 s ASP 69 Ca -0.07 1.61 0.00 0.00 0.71 0.00 0.00 52.55 54.80 1gk8 s ASP 69 Cb -0.05 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1gk8 s ASP 69 CO -0.00 -0.68 0.00 0.59 0.21 0.00 0.00 175.17 175.29 1gk8 n ASN 70 N -1.64 -3.62 -0.03 0.27 3.02 -1.26 -1.38 115.26 110.62 1gk8 n ASN 70 Ca 0.07 0.10 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 1gk8 n ASN 70 Cb 0.54 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.12 1gk8 n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1gk8 h ARG 71 N 0.12 0.26 -6.64 3.52 3.08 -1.91 -3.40 114.38 109.41 1gk8 h ARG 71 Ca -0.09 -0.21 -0.53 0.00 0.07 0.00 0.00 59.98 59.22 1gk8 h ARG 71 Cb 0.31 0.05 0.04 0.00 0.08 0.00 0.00 29.97 30.45 1gk8 h ARG 71 CO 0.13 0.87 0.75 0.71 -1.07 0.00 0.00 179.97 181.36 1gk8 s TYR 72 N -3.56 3.15 0.28 3.04 2.02 -1.26 -5.04 117.35 115.98 1gk8 s TYR 72 Ca -0.15 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.53 1gk8 s TYR 72 Cb 0.03 -3.76 0.02 0.00 -0.40 0.00 0.00 41.96 37.86 1gk8 s TYR 72 CO 0.75 -2.59 0.20 0.91 -1.57 0.00 0.00 175.55 173.26 1gk8 n TRP 73 N 3.28 -0.97 -3.49 2.71 7.02 -1.26 -5.03 117.44 119.70 1gk8 n TRP 73 Ca 0.10 -1.21 -0.38 0.00 -1.02 0.00 0.00 57.50 54.99 1gk8 n TRP 73 Cb 0.41 -0.23 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1gk8 n TRP 73 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1gk8 s THR 74 N -1.43 5.11 0.11 -0.99 2.01 -0.04 -4.86 115.64 115.55 1gk8 s THR 74 Ca 0.16 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 1gk8 s THR 74 Cb -0.01 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1gk8 s THR 74 CO 0.10 0.52 1.18 -0.32 -0.69 0.00 0.00 174.62 175.40 1gk8 s MET 75 N -0.61 4.48 -0.40 4.92 1.75 -1.26 -0.74 119.30 127.44 1gk8 s MET 75 Ca 0.23 1.78 -0.26 0.00 -1.25 0.00 0.00 55.69 56.19 1gk8 s MET 75 Cb -0.16 -3.31 0.02 0.00 2.84 0.00 0.00 34.83 34.22 1gk8 s MET 75 CO 0.11 -0.15 0.93 -0.46 -0.65 0.00 0.00 175.02 174.80 1gk8 s TRP 76 N 0.55 3.02 0.00 4.11 -0.11 0.09 -4.90 118.94 121.71 1gk8 s TRP 76 Ca 0.55 0.66 0.00 0.00 1.22 0.00 0.00 56.10 58.53 1gk8 s TRP 76 Cb -0.30 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 27.90 1gk8 s TRP 76 CO 0.32 -0.92 0.00 1.63 -4.62 0.00 0.00 176.95 173.36 1gk8 n LYS 77 N 6.92 0.00 -4.37 5.86 5.02 -1.26 -4.51 118.16 125.82 1gk8 n LYS 77 Ca 0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 1gk8 n LYS 77 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1gk8 n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gk8 s LEU 78 N 0.00 2.49 0.45 -0.35 1.43 -1.26 -5.09 118.68 116.34 1gk8 s LEU 78 Ca 0.00 -1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 51.76 1gk8 s LEU 78 Cb 0.00 -0.61 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 1gk8 s LEU 78 CO 0.00 -0.28 1.02 -2.65 0.23 0.00 0.00 176.35 174.67 1gk8 n PRO 79 N -0.46 1.34 -2.18 1.29 -0.02 -1.26 -4.82 135.00 128.89 1gk8 n PRO 79 Ca -0.07 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1gk8 n PRO 79 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1gk8 n PRO 79 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1gk8 n MET 80 N -0.01 4.05 -1.70 -0.52 2.81 0.26 -4.96 117.12 117.06 1gk8 n MET 80 Ca 0.10 -3.49 -0.44 0.00 -1.81 0.00 0.00 57.70 52.06 1gk8 n MET 80 Cb 0.40 -2.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.09 1gk8 n MET 80 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1gk8 n PHE 81 N 2.91 2.56 -0.20 2.03 3.72 -1.26 -1.51 117.46 125.70 1gk8 n PHE 81 Ca 0.50 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 1gk8 n PHE 81 Cb 0.31 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 1gk8 n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gk8 n GLY 82 N 3.89 1.72 3.68 1.37 0.00 -1.26 -5.00 105.19 109.58 1gk8 n GLY 82 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1gk8 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk8 n ARG 84 N 5.89 0.92 -4.01 0.00 1.74 -1.26 -4.91 116.66 115.03 1gk8 n ARG 84 Ca 0.14 -2.38 -0.31 0.00 -0.77 0.00 0.00 57.85 54.54 1gk8 n ARG 84 Cb 0.43 -1.11 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 1gk8 n ARG 84 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1gk8 s ASP 85 N -2.47 4.09 0.42 0.55 -1.08 -1.26 -5.00 116.67 111.91 1gk8 s ASP 85 Ca 0.27 -1.25 0.10 0.00 -0.52 0.00 0.00 52.55 51.15 1gk8 s ASP 85 Cb 0.26 -1.37 0.92 0.00 -1.46 0.00 0.00 42.92 41.28 1gk8 s ASP 85 CO -0.03 -0.20 2.03 1.55 0.52 0.00 0.00 175.17 179.03 1gk8 h PRO 86 N 7.87 0.49 -0.04 4.34 0.13 -1.94 -1.85 132.00 140.99 1gk8 h PRO 86 Ca -0.20 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1gk8 h PRO 86 Cb 1.06 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1gk8 h PRO 86 CO 0.44 0.32 -0.28 0.52 -0.23 0.00 0.00 178.00 178.78 1gk8 h MET 87 N 0.50 0.06 -0.54 0.86 2.86 -1.99 -0.79 114.93 115.91 1gk8 h MET 87 Ca 0.20 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1gk8 h MET 87 Cb 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1gk8 h MET 87 CO -0.05 0.34 0.10 1.96 1.06 0.00 0.00 176.91 180.32 1gk8 h GLN 88 N 0.06 0.88 -0.31 1.72 4.20 -1.77 -0.39 115.11 119.49 1gk8 h GLN 88 Ca 0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1gk8 h GLN 88 Cb 0.52 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1gk8 h GLN 88 CO 0.04 0.84 0.14 0.28 -0.67 0.00 0.00 178.83 179.46 1gk8 h VAL 89 N 0.77 1.17 -0.78 -0.54 2.07 -1.35 -1.82 116.25 115.77 1gk8 h VAL 89 Ca 0.17 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1gk8 h VAL 89 Cb 0.38 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1gk8 h VAL 89 CO 0.01 0.17 0.33 -0.07 0.02 0.00 0.00 177.57 178.03 1gk8 h LEU 90 N 0.36 1.05 -1.22 2.57 3.38 -1.01 -1.59 115.31 118.85 1gk8 h LEU 90 Ca 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1gk8 h LEU 90 Cb 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1gk8 h LEU 90 CO -0.01 0.92 0.50 0.03 0.09 0.00 0.00 178.44 179.97 1gk8 h ARG 91 N 1.12 1.02 -0.18 1.13 3.08 -0.92 -2.37 114.38 117.26 1gk8 h ARG 91 Ca 0.26 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1gk8 h ARG 91 Cb 0.18 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1gk8 h ARG 91 CO -0.03 0.69 -0.44 0.93 -1.07 0.00 0.00 179.97 180.05 1gk8 h GLU 92 N 1.05 0.43 -0.38 0.04 4.39 -0.68 -0.51 114.58 118.92 1gk8 h GLU 92 Ca 0.28 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1gk8 h GLU 92 Cb -0.11 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1gk8 h GLU 92 CO -0.06 0.79 0.17 0.82 -1.16 0.00 0.00 179.01 179.57 1gk8 h ILE 93 N 0.35 0.96 -0.31 3.13 2.04 -0.95 0.97 117.51 123.70 1gk8 h ILE 93 Ca 0.03 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1gk8 h ILE 93 Cb 0.91 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1gk8 h ILE 93 CO 0.08 0.07 0.20 0.58 0.00 0.00 0.00 178.15 179.07 1gk8 h VAL 94 N 0.36 1.09 -0.50 1.67 2.07 -1.21 -1.50 116.25 118.23 1gk8 h VAL 94 Ca 0.16 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1gk8 h VAL 94 Cb 0.09 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1gk8 h VAL 94 CO -0.13 0.08 0.27 0.00 0.02 0.00 0.00 177.57 177.82 1gk8 h ALA 95 N 1.10 0.64 -0.13 1.67 0.00 -0.78 0.28 119.26 122.04 1gk8 h ALA 95 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1gk8 h ALA 95 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1gk8 h ALA 95 CO -0.02 0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.43 1gk8 h THR 97 N 0.05 1.22 -0.32 0.00 1.35 -1.18 -0.88 112.91 113.15 1gk8 h THR 97 Ca 0.04 -1.00 -0.15 0.00 -0.55 0.00 0.00 66.41 64.75 1gk8 h THR 97 Cb 0.17 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1gk8 h THR 97 CO -0.00 0.30 -0.39 0.07 -0.25 0.00 0.00 175.52 175.25 1gk8 h LYS 98 N 0.16 0.76 -0.11 4.72 5.09 -0.78 -2.56 116.57 123.85 1gk8 h LYS 98 Ca 0.03 -0.39 -0.16 0.00 0.09 0.00 0.00 60.65 60.22 1gk8 h LYS 98 Cb 0.51 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.84 1gk8 h LYS 98 CO 0.04 1.01 -0.61 0.00 -2.09 0.00 0.00 179.45 177.80 1gk8 h ALA 99 N 0.94 0.76 -2.23 0.07 0.00 -0.88 -3.36 119.26 114.56 1gk8 h ALA 99 Ca 0.05 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1gk8 h ALA 99 Cb 0.94 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 1gk8 h ALA 99 CO 0.09 0.72 -0.82 1.19 0.00 0.00 0.00 179.25 180.43 1gk8 n PHE 100 N -3.89 1.68 0.31 0.00 3.01 -0.37 -4.95 117.46 113.24 1gk8 n PHE 100 Ca -0.03 -3.87 0.16 0.00 1.01 0.00 0.00 57.45 54.72 1gk8 n PHE 100 Cb 0.63 -0.41 0.63 0.00 -0.01 0.00 0.00 39.48 40.32 1gk8 n PHE 100 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1gk8 h PRO 101 N 4.37 0.00 -0.32 -1.08 0.13 -1.62 -2.30 132.00 131.18 1gk8 h PRO 101 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1gk8 h PRO 101 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1gk8 h PRO 101 CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1gk8 n ASP 102 N -2.86 3.39 -4.91 1.44 8.00 -1.26 -4.73 116.55 115.62 1gk8 n ASP 102 Ca 0.01 -2.00 -0.28 0.00 0.71 0.00 0.00 54.79 53.23 1gk8 n ASP 102 Cb 0.29 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1gk8 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gk8 s ALA 103 N -1.60 3.67 0.19 2.24 0.00 -0.87 -4.50 121.76 120.90 1gk8 s ALA 103 Ca 0.37 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1gk8 s ALA 103 Cb 0.22 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 21.04 1gk8 s ALA 103 CO 0.32 0.26 1.19 0.71 0.00 0.00 0.00 175.76 178.23 1gk8 s TYR 104 N -2.06 3.44 -0.04 0.00 1.51 0.17 -3.85 117.35 116.52 1gk8 s TYR 104 Ca 0.43 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 57.94 1gk8 s TYR 104 Cb -0.11 -3.42 0.02 0.00 -0.11 0.00 0.00 41.96 38.34 1gk8 s TYR 104 CO 0.30 -1.16 -0.07 0.08 -1.11 0.00 0.00 175.55 173.60 1gk8 s VAL 105 N -0.10 0.67 0.02 0.71 1.01 -0.81 -1.07 120.40 120.82 1gk8 s VAL 105 Ca 0.52 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1gk8 s VAL 105 Cb -0.32 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1gk8 s VAL 105 CO 0.37 0.24 -0.20 0.00 0.00 0.00 0.00 175.10 175.51 1gk8 s ARG 106 N 0.65 1.43 -0.21 2.72 1.70 0.02 -0.27 118.95 125.00 1gk8 s ARG 106 Ca -0.10 -0.81 -0.15 0.00 -0.47 0.00 0.00 55.73 54.20 1gk8 s ARG 106 Cb -0.13 -1.46 -0.04 0.00 -0.57 0.00 0.00 34.95 32.75 1gk8 s ARG 106 CO 0.01 0.39 0.38 -1.17 -1.08 0.00 0.00 175.30 173.83 1gk8 s LEU 107 N -0.83 4.14 0.35 -1.89 2.96 -0.40 -1.74 118.68 121.27 1gk8 s LEU 107 Ca 0.07 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1gk8 s LEU 107 Cb -0.08 -2.49 -0.07 0.00 0.50 0.00 0.00 46.19 44.05 1gk8 s LEU 107 CO 0.01 -0.08 0.03 0.68 -1.32 0.00 0.00 176.35 175.66 1gk8 s VAL 108 N 1.38 1.54 -0.02 1.68 -7.23 0.32 -1.36 120.40 116.71 1gk8 s VAL 108 Ca 0.18 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1gk8 s VAL 108 Cb -0.15 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 33.95 1gk8 s VAL 108 CO 0.08 -0.02 0.15 0.00 -0.31 0.00 0.00 175.10 175.00 1gk8 s ALA 109 N -3.05 -0.37 -0.01 1.32 0.00 -0.94 -0.76 121.76 117.95 1gk8 s ALA 109 Ca 0.36 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1gk8 s ALA 109 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1gk8 s ALA 109 CO 0.16 -0.16 -0.09 -0.06 0.00 0.00 0.00 175.76 175.62 1gk8 s PHE 110 N -0.79 2.84 -0.22 0.00 0.08 -0.05 -0.23 117.98 119.60 1gk8 s PHE 110 Ca -0.09 -0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.83 1gk8 s PHE 110 Cb -0.05 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1gk8 s PHE 110 CO 0.01 0.33 0.04 0.34 -0.10 0.00 0.00 175.22 175.84 1gk8 s ASP 111 N -1.25 5.07 0.00 1.36 -1.08 -0.49 -1.09 116.67 119.20 1gk8 s ASP 111 Ca 0.15 -0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 1gk8 s ASP 111 Cb -0.11 -1.89 0.83 0.00 -1.46 0.00 0.00 42.92 40.29 1gk8 s ASP 111 CO 0.05 0.03 1.61 -0.46 0.52 0.00 0.00 175.17 176.93 1gk8 n ASN 112 N 4.47 0.77 -0.02 -0.34 6.94 -1.26 -1.01 115.26 124.81 1gk8 n ASN 112 Ca -0.17 -0.65 -0.21 0.00 -0.02 0.00 0.00 54.58 53.53 1gk8 n ASN 112 Cb 0.52 0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 37.89 1gk8 n ASN 112 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1gk8 h GLN 113 N 0.79 0.19 0.00 -3.83 1.08 -1.95 -3.31 115.11 108.08 1gk8 h GLN 113 Ca 0.00 -0.33 -0.05 0.00 -1.45 0.00 0.00 58.65 56.83 1gk8 h GLN 113 Cb 0.47 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1gk8 h GLN 113 CO 0.00 1.16 -0.22 0.87 -0.95 0.00 0.00 178.83 179.69 1gk8 h LYS 114 N -0.36 0.00 -6.05 1.46 1.57 -2.01 -3.48 116.57 107.70 1gk8 h LYS 114 Ca -0.35 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 1gk8 h LYS 114 Cb 1.73 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.08 1gk8 h LYS 114 CO 0.00 0.22 -0.65 0.94 -0.57 0.00 0.00 179.45 179.39 1gk8 n GLN 115 N -3.23 -1.39 -3.53 3.15 7.27 -0.18 -5.03 117.38 114.46 1gk8 n GLN 115 Ca 0.02 0.93 -0.17 0.00 0.07 0.00 0.00 57.00 57.85 1gk8 n GLN 115 Cb 0.53 -4.22 -0.06 0.00 2.41 0.00 0.00 30.24 28.91 1gk8 n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1gk8 s VAL 116 N -3.15 0.01 0.18 1.69 0.11 -0.93 -5.01 120.40 113.29 1gk8 s VAL 116 Ca 0.17 -0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 1gk8 s VAL 116 Cb -0.06 -0.98 -0.10 0.00 -1.53 0.00 0.00 36.38 33.72 1gk8 s VAL 116 CO 0.83 -0.03 1.55 -1.58 -3.33 0.00 0.00 175.10 172.55 1gk8 s GLN 117 N -1.57 4.22 0.00 1.54 0.74 -1.26 -1.39 119.66 121.93 1gk8 s GLN 117 Ca -0.09 2.36 0.05 0.00 0.05 0.00 0.00 55.36 57.73 1gk8 s GLN 117 Cb -0.00 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 1gk8 s GLN 117 CO 0.06 -0.58 0.38 1.51 -0.55 0.00 0.00 175.29 176.11 1gk8 n ILE 118 N 3.69 0.00 -3.55 -2.34 3.06 0.68 -4.90 119.36 115.99 1gk8 n ILE 118 Ca 0.13 -0.43 -0.10 0.00 -2.50 0.00 0.00 62.75 59.85 1gk8 n ILE 118 Cb 0.39 1.04 -0.02 0.00 0.54 0.00 0.00 39.64 41.59 1gk8 n ILE 118 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1gk8 s MET 119 N -1.09 1.29 0.00 9.51 0.23 -1.21 -4.99 119.30 123.04 1gk8 s MET 119 Ca 0.04 -0.56 0.00 0.00 -1.03 0.00 0.00 55.69 54.14 1gk8 s MET 119 Cb 0.04 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.88 1gk8 s MET 119 CO 0.15 -0.57 0.00 0.41 -2.03 0.00 0.00 175.02 172.98 1gk8 n GLY 120 N -0.38 1.75 3.45 3.16 0.00 -1.26 -2.21 105.19 109.69 1gk8 n GLY 120 Ca -0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1gk8 n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gk8 s PHE 121 N -1.36 -0.50 0.15 1.61 -0.71 -0.46 -4.39 117.98 112.31 1gk8 s PHE 121 Ca 0.00 0.36 -0.30 0.00 -1.04 0.00 0.00 56.93 55.95 1gk8 s PHE 121 Cb 0.00 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.28 1gk8 s PHE 121 CO 0.00 -0.75 1.25 -1.17 -1.34 0.00 0.00 175.22 173.21 1gk8 s LEU 122 N -2.56 4.41 -0.00 -1.99 2.96 -1.26 -1.28 118.68 118.96 1gk8 s LEU 122 Ca 0.01 2.23 0.06 0.00 -0.22 0.00 0.00 54.13 56.21 1gk8 s LEU 122 Cb -0.01 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1gk8 s LEU 122 CO -0.10 -0.47 0.23 1.33 -1.32 0.00 0.00 176.35 176.01 1gk8 n VAL 123 N 3.12 0.00 -3.73 1.68 0.24 0.63 -4.88 118.33 115.39 1gk8 n VAL 123 Ca 0.07 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1gk8 n VAL 123 Cb 0.44 0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 33.54 1gk8 n VAL 123 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1gk8 s GLN 124 N -1.75 0.16 -0.06 7.34 0.74 -0.81 -4.96 119.66 120.33 1gk8 s GLN 124 Ca 0.01 0.47 0.04 0.00 0.05 0.00 0.00 55.36 55.93 1gk8 s GLN 124 Cb 0.04 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.99 1gk8 s GLN 124 CO 0.25 -0.17 -0.17 0.50 -0.55 0.00 0.00 175.29 175.15 1gk8 s ARG 125 N 1.25 2.57 0.00 1.67 3.52 -1.26 -1.92 118.95 124.78 1gk8 s ARG 125 Ca -0.09 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1gk8 s ARG 125 Cb -0.11 -2.33 0.09 0.00 -1.56 0.00 0.00 34.95 31.04 1gk8 s ARG 125 CO -0.07 0.53 0.58 -0.35 -0.81 0.00 0.00 175.30 175.17