#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gak n ASP 2 N 0.00 2.55 -0.84 4.37 8.00 -1.26 -4.83 116.55 124.54 1gak n ASP 2 Ca 0.00 -2.64 0.08 0.00 0.71 0.00 0.00 54.79 52.94 1gak n ASP 2 Cb 0.00 -0.45 0.17 0.00 -0.02 0.00 0.00 41.12 40.82 1gak n ASP 2 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1gak n ASP 3 N -0.54 3.04 -4.49 -2.24 5.75 -1.26 -4.96 116.55 111.85 1gak n ASP 3 Ca 0.18 -1.90 -0.33 0.00 -0.01 0.00 0.00 54.79 52.73 1gak n ASP 3 Cb 0.83 -0.23 -0.13 0.00 -1.03 0.00 0.00 41.12 40.57 1gak n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1gak s VAL 4 N -1.10 3.54 -0.15 2.12 1.01 -1.26 -5.11 120.40 119.45 1gak s VAL 4 Ca 0.29 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1gak s VAL 4 Cb 0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1gak s VAL 4 CO 0.22 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 175.10 1gak s VAL 5 N -0.07 3.59 -0.05 2.92 1.01 -1.26 -4.97 120.40 121.56 1gak s VAL 5 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1gak s VAL 5 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1gak s VAL 5 CO 0.03 0.50 -0.22 0.54 0.00 0.00 0.00 175.10 175.96 1gak s VAL 6 N 0.36 1.80 0.83 2.92 0.11 -1.26 -5.09 120.40 120.06 1gak s VAL 6 Ca -0.07 -0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 57.95 1gak s VAL 6 Cb -0.15 -1.53 0.09 0.00 -1.53 0.00 0.00 36.38 33.26 1gak s VAL 6 CO 0.04 0.50 1.11 -0.94 -3.33 0.00 0.00 175.10 172.48 1gak s SER 7 N -0.04 4.21 0.15 3.54 1.04 -1.26 -4.85 113.70 116.49 1gak s SER 7 Ca -0.05 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.49 1gak s SER 7 Cb -0.13 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.08 1gak s SER 7 CO 0.03 -2.14 1.68 -0.09 0.98 0.00 0.00 173.24 173.71 1gak h ARG 8 N -1.21 0.77 -0.53 4.02 9.65 -2.00 -0.27 114.38 124.81 1gak h ARG 8 Ca -0.48 -0.16 0.04 0.00 -1.10 0.00 0.00 59.98 58.28 1gak h ARG 8 Cb 1.28 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 1gak h ARG 8 CO 0.60 0.72 0.28 0.37 2.80 0.00 0.00 179.97 184.73 1gak h GLN 9 N 0.67 0.54 -0.42 0.20 5.75 -1.96 0.13 115.11 120.01 1gak h GLN 9 Ca 0.16 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1gak h GLN 9 Cb 0.26 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1gak h GLN 9 CO -0.01 0.35 -0.04 0.93 -2.65 0.00 0.00 178.83 177.42 1gak h GLU 10 N 0.55 0.70 -0.67 1.69 5.08 -1.84 -2.19 114.58 117.90 1gak h GLU 10 Ca 0.23 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1gak h GLU 10 Cb 0.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1gak h GLU 10 CO -0.15 0.75 0.16 1.96 -1.00 0.00 0.00 179.01 180.73 1gak h GLN 11 N 0.65 1.06 -0.86 2.33 4.20 0.15 -2.66 115.11 119.99 1gak h GLN 11 Ca 0.13 -0.25 0.07 0.00 0.06 0.00 0.00 58.65 58.66 1gak h GLN 11 Cb 0.47 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1gak h GLN 11 CO 0.02 0.94 0.53 0.77 -0.67 0.00 0.00 178.83 180.42 1gak h SER 12 N 1.01 0.82 -0.65 1.46 0.02 -0.18 0.74 113.55 116.77 1gak h SER 12 Ca 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1gak h SER 12 Cb 0.36 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1gak h SER 12 CO 0.00 0.52 0.38 1.88 -1.14 0.00 0.00 176.83 178.47 1gak h TYR 13 N 0.95 0.87 -0.30 3.45 0.05 -1.13 -0.19 116.97 120.66 1gak h TYR 13 Ca 0.38 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 59.08 1gak h TYR 13 Cb 0.20 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1gak h TYR 13 CO -0.04 0.60 -0.10 0.28 -1.05 0.00 0.00 178.16 177.86 1gak h VAL 14 N 0.89 1.29 -0.47 -2.88 2.07 -1.14 -0.83 116.25 115.18 1gak h VAL 14 Ca 0.23 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1gak h VAL 14 Cb -0.01 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1gak h VAL 14 CO -0.04 0.37 0.25 1.56 0.02 0.00 0.00 177.57 179.73 1gak h GLN 15 N 0.37 0.48 -0.35 1.57 4.20 -0.63 -0.92 115.11 119.83 1gak h GLN 15 Ca 0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1gak h GLN 15 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1gak h GLN 15 CO 0.04 0.32 0.07 0.00 -0.67 0.00 0.00 178.83 178.58 1gak h ARG 16 N 0.49 0.58 -0.58 1.46 3.08 -0.96 -0.88 114.38 117.58 1gak h ARG 16 Ca 0.20 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1gak h ARG 16 Cb 0.08 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1gak h ARG 16 CO -0.12 0.64 0.36 0.78 -1.07 0.00 0.00 179.97 180.55 1gak h GLY 17 N 0.42 0.82 0.75 0.04 0.00 -0.89 0.36 103.07 104.57 1gak h GLY 17 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1gak h GLY 17 CO 0.00 0.23 -0.03 1.98 0.00 0.00 0.00 176.54 178.73 1gak h MET 18 N 0.71 0.25 -0.26 4.80 1.85 -0.97 -1.61 114.93 119.70 1gak h MET 18 Ca 0.23 -0.09 -0.13 0.00 -0.61 0.00 0.00 59.70 59.09 1gak h MET 18 Cb 0.00 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 1gak h MET 18 CO -0.09 0.53 -0.39 0.28 -0.40 0.00 0.00 176.91 176.85 1gak h VAL 19 N -0.05 1.29 -0.16 -5.77 2.07 -1.05 -1.61 116.25 110.98 1gak h VAL 19 Ca 0.03 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1gak h VAL 19 Cb 0.44 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1gak h VAL 19 CO 0.01 0.49 0.08 0.78 0.02 0.00 0.00 177.57 178.95 1gak h ASN 20 N 0.50 0.20 0.02 0.57 2.35 -0.23 0.19 115.58 119.18 1gak h ASN 20 Ca 0.05 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1gak h ASN 20 Cb 0.90 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 1gak h ASN 20 CO 0.08 0.26 -0.09 0.15 -1.65 0.00 0.00 177.43 176.18 1gak h PHE 21 N 0.13 -0.23 -0.87 1.19 3.57 -1.20 -0.41 116.94 119.13 1gak h PHE 21 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1gak h PHE 21 Cb 0.11 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1gak h PHE 21 CO -0.03 -0.14 0.45 -0.07 -2.23 0.00 0.00 178.31 176.29 1gak h LEU 22 N -0.17 1.11 -0.90 0.59 3.38 -1.13 -1.12 115.31 117.08 1gak h LEU 22 Ca 0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1gak h LEU 22 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1gak h LEU 22 CO -0.08 0.91 0.14 0.44 0.09 0.00 0.00 178.44 179.95 1gak h ASP 23 N 1.23 0.89 -0.15 -0.43 3.32 -0.37 0.14 116.42 121.06 1gak h ASP 23 Ca 0.30 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1gak h ASP 23 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1gak h ASP 23 CO -0.04 0.87 0.05 -0.33 -1.72 0.00 0.00 179.24 178.07 1gak h GLU 24 N 0.91 0.22 -0.76 3.56 5.08 -0.59 0.17 114.58 123.17 1gak h GLU 24 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1gak h GLU 24 Cb 0.33 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1gak h GLU 24 CO 0.00 0.33 0.30 0.93 -1.00 0.00 0.00 179.01 179.58 1gak h GLU 25 N 0.07 1.14 -0.17 2.33 4.39 -1.00 -2.85 114.58 118.48 1gak h GLU 25 Ca 0.05 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1gak h GLU 25 Cb 0.20 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1gak h GLU 25 CO -0.00 0.93 0.01 1.98 -1.16 0.00 0.00 179.01 180.77 1gak h MET 26 N 1.11 0.07 -0.05 2.33 4.05 -0.45 -1.65 114.93 120.33 1gak h MET 26 Ca 0.25 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 1gak h MET 26 Cb 0.22 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1gak h MET 26 CO -0.02 0.05 0.12 0.45 0.23 0.00 0.00 176.91 177.73 1gak h HIS 27 N 0.07 0.00 -0.01 1.39 3.86 -0.74 -0.03 115.15 119.70 1gak h HIS 27 Ca 0.08 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.05 1gak h HIS 27 Cb 0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.57 1gak h HIS 27 CO -0.15 0.00 -0.98 0.87 0.86 0.00 0.00 177.93 178.53 1gak h LYS 28 N 0.00 0.56 -0.26 2.45 1.57 -1.16 -1.81 116.57 117.92 1gak h LYS 28 Ca 0.03 -0.59 -0.17 0.00 -1.87 0.00 0.00 60.65 58.04 1gak h LYS 28 Cb 0.26 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1gak h LYS 28 CO -0.00 1.21 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.50 1gak h LEU 29 N 0.32 0.83 -0.92 2.94 3.38 -0.87 -2.96 115.31 118.03 1gak h LEU 29 Ca -0.10 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1gak h LEU 29 Cb 1.62 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 1gak h LEU 29 CO 0.18 1.20 0.59 0.58 0.09 0.00 0.00 178.44 181.08 1gak h VAL 30 N 0.59 1.24 -0.65 1.22 2.07 -1.04 -1.27 116.25 118.41 1gak h VAL 30 Ca 0.02 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.19 1gak h VAL 30 Cb 1.10 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1gak h VAL 30 CO 0.11 0.24 0.44 0.11 0.02 0.00 0.00 177.57 178.49 1gak h LYS 31 N 1.26 0.34 -0.64 1.57 1.57 -1.15 -1.45 116.57 118.07 1gak h LYS 31 Ca 0.34 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.22 1gak h LYS 31 Cb -0.11 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.03 1gak h LYS 31 CO -0.07 0.23 0.16 0.00 -0.57 0.00 0.00 179.45 179.20 1gak h ARG 32 N 0.35 0.28 -0.17 3.15 3.08 -1.20 0.83 114.38 120.71 1gak h ARG 32 Ca 0.31 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 60.13 1gak h ARG 32 Cb 0.73 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1gak h ARG 32 CO -0.08 0.18 -0.75 0.74 -1.07 0.00 0.00 179.97 178.99 1gak h PHE 33 N 0.29 1.04 -0.18 3.04 -1.00 -1.37 -2.84 116.94 115.92 1gak h PHE 33 Ca 0.34 -0.45 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1gak h PHE 33 Cb 0.52 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1gak h PHE 33 CO -0.24 1.28 0.09 0.00 -1.61 0.00 0.00 178.31 177.83 1gak h ARG 34 N 0.54 0.26 -0.76 1.51 3.08 -0.54 -1.25 114.38 117.22 1gak h ARG 34 Ca -0.04 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.09 1gak h ARG 34 Cb 1.37 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 1gak h ARG 34 CO 0.15 0.28 0.50 -0.44 -1.07 0.00 0.00 179.97 179.40 1gak h ASP 35 N 0.17 0.52 0.92 7.04 3.32 0.57 0.33 116.42 129.28 1gak h ASP 35 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1gak h ASP 35 Cb 0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1gak h ASP 35 CO -0.01 0.29 0.00 0.23 -1.72 0.00 0.00 179.24 178.03 1gak n MET 36 N -4.50 0.14 -1.44 3.56 2.81 -0.82 -4.86 117.12 112.01 1gak n MET 36 Ca 0.14 0.27 -0.08 0.00 -1.81 0.00 0.00 57.70 56.22 1gak n MET 36 Cb 0.42 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 1gak n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1gak n ARG 37 N -1.98 -0.57 -3.30 0.03 5.12 0.11 -4.93 116.66 111.14 1gak n ARG 37 Ca 0.04 0.69 -0.31 0.00 -1.93 0.00 0.00 57.85 56.34 1gak n ARG 37 Cb 0.29 -4.55 -0.06 0.00 -1.16 0.00 0.00 32.46 26.98 1gak n ARG 37 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 1gak n TRP 38 N -3.06 3.29 -1.61 -1.55 -0.00 -0.55 -5.02 117.44 108.94 1gak n TRP 38 Ca -0.08 -3.73 -0.63 0.00 -0.00 0.00 0.00 57.50 53.06 1gak n TRP 38 Cb 0.33 -0.74 -0.09 0.00 -0.00 0.00 0.00 31.31 30.81 1gak n TRP 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1gak n ASN 39 N 0.94 0.89 -4.79 5.87 4.13 -1.26 -4.51 115.26 116.54 1gak n ASN 39 Ca 0.29 1.12 -0.37 0.00 1.68 0.00 0.00 54.58 57.30 1gak n ASN 39 Cb 0.39 -0.84 -0.06 0.00 -1.54 0.00 0.00 39.78 37.72 1gak n ASN 39 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1gak s LEU 40 N 2.22 4.39 0.62 3.41 1.43 -1.26 -4.89 118.68 124.60 1gak s LEU 40 Ca 0.97 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 1gak s LEU 40 Cb -1.37 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 41.04 1gak s LEU 40 CO 0.73 0.01 1.06 -0.83 0.23 0.00 0.00 176.35 177.55 1gak s GLY 41 N -1.55 2.07 0.43 -3.19 0.00 -0.79 -4.86 107.32 99.43 1gak s GLY 41 Ca 0.46 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.65 1gak s GLY 41 CO 0.24 0.69 2.06 -0.56 0.00 0.00 0.00 173.10 175.53 1gak h PRO 42 N 0.22 0.44 0.00 2.90 0.13 -1.89 0.20 132.00 134.01 1gak h PRO 42 Ca -0.46 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1gak h PRO 42 Cb 1.22 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1gak h PRO 42 CO 0.57 0.29 -0.37 0.78 -0.23 0.00 0.00 178.00 179.04 1gak h GLY 43 N 0.45 0.00 0.50 1.56 0.00 -1.77 0.78 103.07 104.60 1gak h GLY 43 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1gak h GLY 43 CO -0.04 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.67 1gak h PHE 44 N 0.00 0.15 -0.90 5.60 3.04 -0.70 -2.16 116.94 121.97 1gak h PHE 44 Ca -0.00 -0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.91 1gak h PHE 44 Cb 0.68 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.11 1gak h PHE 44 CO 0.00 0.68 0.59 0.28 -2.02 0.00 0.00 178.31 177.85 1gak h VAL 45 N -0.43 1.18 -0.53 1.41 2.07 -0.96 -1.58 116.25 117.42 1gak h VAL 45 Ca -0.00 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1gak h VAL 45 Cb 0.68 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1gak h VAL 45 CO 0.02 0.21 0.29 0.15 0.02 0.00 0.00 177.57 178.26 1gak h PHE 46 N 1.16 0.53 -0.55 1.57 3.57 -0.77 -0.65 116.94 121.82 1gak h PHE 46 Ca 0.35 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 1gak h PHE 46 Cb -0.05 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1gak h PHE 46 CO -0.00 0.28 0.33 -0.07 -2.23 0.00 0.00 178.31 176.62 1gak h LEU 47 N 0.56 0.64 -0.34 0.59 4.07 -0.63 0.48 115.31 120.68 1gak h LEU 47 Ca 0.23 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.05 1gak h LEU 47 Cb 0.10 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1gak h LEU 47 CO -0.14 0.49 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.46 1gak h LEU 48 N 0.75 0.76 -1.08 1.67 3.38 -0.59 -1.56 115.31 118.64 1gak h LEU 48 Ca 0.20 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1gak h LEU 48 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1gak h LEU 48 CO -0.04 1.01 0.13 0.11 0.09 0.00 0.00 178.44 179.74 1gak h LYS 49 N 0.51 0.78 -0.54 1.13 1.57 -0.48 -1.92 116.57 117.62 1gak h LYS 49 Ca 0.07 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1gak h LYS 49 Cb 0.74 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1gak h LYS 49 CO 0.05 0.71 0.00 -0.22 -0.57 0.00 0.00 179.45 179.43 1gak h LYS 50 N 0.76 0.93 -0.53 3.15 3.64 -0.74 -1.07 116.57 122.71 1gak h LYS 50 Ca 0.17 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1gak h LYS 50 Cb 0.28 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1gak h LYS 50 CO -0.00 0.92 0.31 0.28 -2.27 0.00 0.00 179.45 178.69 1gak h VAL 51 N 0.86 1.05 -0.39 2.00 2.07 -0.55 0.77 116.25 122.06 1gak h VAL 51 Ca 0.16 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1gak h VAL 51 Cb 0.50 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1gak h VAL 51 CO 0.02 0.11 0.25 0.78 0.02 0.00 0.00 177.57 178.76 1gak h ASN 52 N 0.62 0.42 -0.24 0.57 2.35 -0.88 -0.76 115.58 117.67 1gak h ASN 52 Ca 0.21 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 1gak h ASN 52 Cb 0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1gak h ASN 52 CO -0.10 0.31 -0.49 0.03 -1.65 0.00 0.00 177.43 175.53 1gak h ARG 53 N 0.51 0.81 -0.02 0.81 3.08 -0.92 -2.07 114.38 116.58 1gak h ARG 53 Ca 0.14 -0.48 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 1gak h ARG 53 Cb -0.04 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gak h ARG 53 CO -0.04 1.12 -0.46 0.93 -1.07 0.00 0.00 179.97 180.45 1gak h GLU 54 N 0.64 0.04 -0.19 0.04 5.08 -0.68 0.33 114.58 119.83 1gak h GLU 54 Ca 0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1gak h GLU 54 Cb 1.08 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1gak h GLU 54 CO 0.11 0.49 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.19 1gak h ARG 55 N 0.03 0.55 -0.98 2.33 9.65 -1.06 -0.59 114.38 124.32 1gak h ARG 55 Ca -0.00 -0.34 0.03 0.00 -1.10 0.00 0.00 59.98 58.57 1gak h ARG 55 Cb 0.82 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.38 1gak h ARG 55 CO 0.06 0.95 0.64 1.98 2.80 0.00 0.00 179.97 186.40 1gak h MET 56 N 0.21 1.22 0.00 0.20 4.05 -1.11 -2.62 114.93 116.88 1gak h MET 56 Ca 0.01 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 1gak h MET 56 Cb 0.91 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1gak h MET 56 CO 0.07 0.81 -0.58 0.52 0.23 0.00 0.00 176.91 177.97 1gak h MET 57 N 1.26 0.00 -0.53 0.39 2.86 -0.65 -2.70 114.93 115.56 1gak h MET 57 Ca 0.38 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.13 1gak h MET 57 Cb -0.03 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.52 1gak h MET 57 CO -0.11 0.58 -0.18 -0.09 1.06 0.00 0.00 176.91 178.16 1gak h ARG 58 N 0.00 -0.05 -0.50 1.72 9.65 -0.71 -2.91 114.38 121.58 1gak h ARG 58 Ca -0.01 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.52 1gak h ARG 58 Cb 1.11 0.01 -0.36 0.00 -1.39 0.00 0.00 29.97 29.35 1gak h ARG 58 CO 0.07 -0.04 -0.88 0.66 2.80 0.00 0.00 179.97 182.59 1gak n TYR 59 N -5.40 1.74 -0.26 2.20 4.01 -1.25 -1.77 117.16 116.43 1gak n TYR 59 Ca 0.05 -1.97 0.04 0.00 -0.16 0.00 0.00 57.90 55.87 1gak n TYR 59 Cb 0.31 -0.28 0.18 0.00 -0.31 0.00 0.00 39.34 39.23 1gak n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gak h MET 61 N 0.55 0.57 -0.27 0.00 2.86 -1.80 -1.54 114.93 115.30 1gak h MET 61 Ca 0.40 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.95 1gak h MET 61 Cb 0.53 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1gak h MET 61 CO -0.34 0.39 -0.03 -0.44 1.06 0.00 0.00 176.91 177.55 1gak h ASP 62 N 0.57 0.50 -0.64 1.22 3.32 -1.79 -0.42 116.42 119.18 1gak h ASP 62 Ca 0.16 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 56.94 1gak h ASP 62 Cb -0.05 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.30 1gak h ASP 62 CO -0.03 0.72 0.31 1.88 -1.72 0.00 0.00 179.24 180.39 1gak h TYR 63 N 0.27 0.55 -0.17 4.55 0.05 -0.87 0.12 116.97 121.46 1gak h TYR 63 Ca 0.07 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1gak h TYR 63 Cb 0.48 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1gak h TYR 63 CO 0.04 0.22 -0.32 0.00 -1.05 0.00 0.00 178.16 177.05 1gak h ALA 64 N 1.38 0.27 0.59 3.88 0.00 -1.21 -1.46 119.26 122.70 1gak h ALA 64 Ca 0.30 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1gak h ALA 64 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gak h ALA 64 CO -0.24 0.31 -0.30 -0.09 0.00 0.00 0.00 179.25 178.93 1gak h ARG 65 N 0.16 -0.78 0.00 0.00 2.43 -0.78 -1.44 114.38 113.97 1gak h ARG 65 Ca 0.01 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1gak h ARG 65 Cb 0.91 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1gak h ARG 65 CO 0.07 -0.52 -0.25 1.88 -1.51 0.00 0.00 179.97 179.64 1gak h TYR 66 N -0.81 0.00 -0.16 2.20 0.05 -0.85 0.20 116.97 117.59 1gak h TYR 66 Ca -0.08 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1gak h TYR 66 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1gak h TYR 66 CO -0.05 0.25 -0.03 0.77 -1.05 0.00 0.00 178.16 178.05 1gak h SER 67 N 0.00 0.30 0.08 3.88 0.02 -1.10 -0.36 113.55 116.37 1gak h SER 67 Ca -0.00 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 1gak h SER 67 Cb 0.65 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1gak h SER 67 CO 0.03 0.59 -0.28 0.50 -1.14 0.00 0.00 176.83 176.54 1gak h LYS 68 N 0.01 0.32 0.74 3.45 3.64 -0.80 -2.92 116.57 121.02 1gak h LYS 68 Ca 0.04 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1gak h LYS 68 Cb 0.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1gak h LYS 68 CO 0.01 0.57 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.17 1gak h LYS 69 N 0.28 -0.99 -0.97 1.90 3.11 -0.38 -2.02 116.57 117.50 1gak h LYS 69 Ca 0.04 0.07 0.10 0.00 -2.81 0.00 0.00 60.65 58.05 1gak h LYS 69 Cb 0.64 0.23 -0.07 0.00 -1.00 0.00 0.00 32.23 32.02 1gak h LYS 69 CO 0.05 -0.66 0.62 0.97 -2.81 0.00 0.00 179.45 177.62 1gak h ILE 70 N -1.03 0.99 -0.35 2.00 6.09 -1.04 0.24 117.51 124.41 1gak h ILE 70 Ca -0.10 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 1gak h ILE 70 Cb 0.80 -0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.96 1gak h ILE 70 CO 0.15 0.19 0.20 -0.07 -3.07 0.00 0.00 178.15 175.54 1gak h LEU 71 N 1.02 0.43 -0.21 2.19 3.38 -1.41 0.18 115.31 120.89 1gak h LEU 71 Ca 0.45 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1gak h LEU 71 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1gak h LEU 71 CO -0.21 0.39 0.07 1.56 0.09 0.00 0.00 178.44 180.34 1gak h GLN 72 N 0.44 0.33 -0.95 1.13 4.20 -0.42 0.23 115.11 120.07 1gak h GLN 72 Ca 0.12 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.85 1gak h GLN 72 Cb 0.05 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 1gak h GLN 72 CO -0.02 0.42 0.61 -0.07 -0.67 0.00 0.00 178.83 179.10 1gak h LEU 73 N 0.17 0.91 -0.69 1.46 4.07 -0.18 0.68 115.31 121.73 1gak h LEU 73 Ca 0.07 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1gak h LEU 73 Cb 0.22 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1gak h LEU 73 CO -0.00 0.54 0.00 0.29 -1.08 0.00 0.00 178.44 178.19 1gak n LYS 74 N -4.54 1.45 -3.23 1.13 4.76 0.60 -4.91 118.16 113.43 1gak n LYS 74 Ca 0.16 -0.68 -0.21 0.00 -2.87 0.00 0.00 58.31 54.71 1gak n LYS 74 Cb 0.27 -1.35 0.05 0.00 -1.84 0.00 0.00 35.03 32.16 1gak n LYS 74 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1gak n HIS 75 N -0.10 -2.22 -4.07 2.13 8.25 0.23 -5.01 115.22 114.43 1gak n HIS 75 Ca 0.15 0.70 -0.29 0.00 -0.26 0.00 0.00 57.72 58.03 1gak n HIS 75 Cb 0.23 -4.47 -0.06 0.00 1.12 0.00 0.00 29.99 26.81 1gak n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1gak s LEU 76 N -6.47 3.74 0.57 2.41 1.43 0.72 -5.02 118.68 116.06 1gak s LEU 76 Ca 0.41 -0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1gak s LEU 76 Cb -0.18 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1gak s LEU 76 CO 0.50 0.14 1.27 -2.16 0.23 0.00 0.00 176.35 176.33 1gak s PRO 77 N -2.61 3.06 -0.37 1.29 0.04 -1.26 -4.33 135.00 130.81 1gak s PRO 77 Ca 0.29 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 1gak s PRO 77 Cb -0.11 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1gak s PRO 77 CO 0.22 -1.18 0.14 0.08 0.04 0.00 0.00 177.00 176.30 1gak s VAL 78 N -1.45 3.41 0.12 -0.36 1.01 -1.26 -4.74 120.40 117.13 1gak s VAL 78 Ca 0.74 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1gak s VAL 78 Cb -0.35 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1gak s VAL 78 CO 0.40 -0.44 0.19 -0.46 0.00 0.00 0.00 175.10 174.79 1gak n ASN 79 N 4.68 -0.54 -0.17 3.32 0.23 -1.26 -5.00 115.26 116.52 1gak n ASN 79 Ca -0.08 -1.56 -0.04 0.00 -0.53 0.00 0.00 54.58 52.38 1gak n ASN 79 Cb 0.43 0.96 0.06 0.00 -2.08 0.00 0.00 39.78 39.14 1gak n ASN 79 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1gak h LYS 80 N 0.00 0.47 -0.04 -3.83 3.64 -1.97 0.11 116.57 114.94 1gak h LYS 80 Ca -0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1gak h LYS 80 Cb 0.38 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1gak h LYS 80 CO 0.12 0.31 0.02 -0.22 -2.27 0.00 0.00 179.45 177.42 1gak h LYS 81 N 0.49 0.06 -0.04 1.90 3.64 -1.98 0.11 116.57 120.75 1gak h LYS 81 Ca 0.24 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.41 1gak h LYS 81 Cb 0.17 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1gak h LYS 81 CO -0.18 0.14 -0.81 1.79 -2.27 0.00 0.00 179.45 178.12 1gak h THR 82 N -0.04 1.40 -0.21 1.00 1.35 -1.81 -2.51 112.91 112.09 1gak h THR 82 Ca 0.01 -2.30 -0.17 0.00 -0.55 0.00 0.00 66.41 63.41 1gak h THR 82 Cb 0.10 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1gak h THR 82 CO -0.00 0.69 -0.55 -0.07 -0.25 0.00 0.00 175.52 175.34 1gak h LEU 83 N 0.23 0.70 -0.74 3.87 3.38 -0.78 -1.20 115.31 120.77 1gak h LEU 83 Ca -0.05 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1gak h LEU 83 Cb 1.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1gak h LEU 83 CO 0.14 1.10 0.22 0.74 0.09 0.00 0.00 178.44 180.73 1gak h THR 84 N 0.48 1.26 -0.46 0.22 2.02 -0.97 -0.34 112.91 115.13 1gak h THR 84 Ca 0.01 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 1gak h THR 84 Cb 1.10 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1gak h THR 84 CO 0.11 0.36 -0.11 0.11 0.37 0.00 0.00 175.52 176.36 1gak h LYS 85 N 1.11 0.83 -0.46 6.66 1.57 -1.27 -1.25 116.57 123.76 1gak h LYS 85 Ca 0.24 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1gak h LYS 85 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1gak h LYS 85 CO -0.01 0.91 0.07 0.52 -0.57 0.00 0.00 179.45 180.37 1gak h MET 86 N 0.75 0.71 -0.56 3.15 2.86 -0.72 0.39 114.93 121.51 1gak h MET 86 Ca 0.12 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1gak h MET 86 Cb 0.61 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1gak h MET 86 CO 0.04 0.68 0.24 0.78 1.06 0.00 0.00 176.91 179.71 1gak h GLY 87 N 0.92 0.88 1.45 8.32 0.00 -0.54 0.60 103.07 114.70 1gak h GLY 87 Ca 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1gak h GLY 87 CO 0.00 0.43 0.15 3.21 0.00 0.00 0.00 176.54 180.34 1gak h ARG 88 N 0.76 0.70 -0.58 4.80 3.08 -0.53 -0.04 114.38 122.56 1gak h ARG 88 Ca 0.19 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1gak h ARG 88 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1gak h ARG 88 CO -0.02 0.61 -0.05 0.35 -1.07 0.00 0.00 179.97 179.79 1gak h PHE 89 N 0.69 1.18 -0.60 3.04 3.57 -0.10 -0.40 116.94 124.31 1gak h PHE 89 Ca 0.16 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 1gak h PHE 89 Cb 0.20 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1gak h PHE 89 CO 0.01 1.05 0.10 0.28 -2.23 0.00 0.00 178.31 177.53 1gak h VAL 90 N 0.96 1.26 -0.78 1.41 2.07 -0.35 -0.23 116.25 120.59 1gak h VAL 90 Ca 0.16 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1gak h VAL 90 Cb 0.62 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1gak h VAL 90 CO 0.04 0.36 0.49 1.23 0.02 0.00 0.00 177.57 179.71 1gak h GLY 91 N 0.89 1.15 0.98 2.17 0.00 -0.61 -0.81 103.07 106.83 1gak h GLY 91 Ca 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1gak h GLY 91 CO 0.01 0.29 0.11 -1.82 0.00 0.00 0.00 176.54 175.13 1gak h TYR 92 N 0.93 0.23 -0.36 5.60 3.20 -0.45 -1.99 116.97 124.14 1gak h TYR 92 Ca 0.32 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1gak h TYR 92 Cb 0.07 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1gak h TYR 92 CO -0.04 0.18 0.24 0.00 -1.64 0.00 0.00 178.16 176.91 1gak h ARG 93 N 0.22 0.28 -0.33 1.82 2.47 -0.56 -2.16 114.38 116.11 1gak h ARG 93 Ca 0.06 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1gak h ARG 93 Cb 0.01 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1gak h ARG 93 CO -0.01 0.18 0.00 0.09 0.56 0.00 0.00 179.97 180.79 1gak n ASN 94 N -4.48 2.39 -0.35 7.04 3.02 -0.35 -4.41 115.26 118.11 1gak n ASN 94 Ca 0.04 -1.88 -0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1gak n ASN 94 Cb 0.22 -0.21 0.15 0.00 -0.61 0.00 0.00 39.78 39.33 1gak n ASN 94 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1gak h TYR 95 N 2.93 1.20 -0.38 3.10 3.20 -0.68 -0.52 116.97 125.82 1gak h TYR 95 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1gak h TYR 95 Cb 0.65 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1gak h TYR 95 CO 0.21 0.73 0.24 0.78 -1.64 0.00 0.00 178.16 178.47 1gak h GLY 96 N 1.27 0.55 0.97 1.82 0.00 -1.81 -0.73 103.07 105.15 1gak h GLY 96 Ca 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1gak h GLY 96 CO -0.10 0.21 0.18 -2.08 0.00 0.00 0.00 176.54 174.76 1gak h VAL 97 N 0.50 1.11 -0.38 4.60 2.07 -1.75 -2.51 116.25 119.90 1gak h VAL 97 Ca 0.14 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1gak h VAL 97 Cb -0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1gak h VAL 97 CO -0.03 0.11 0.14 0.40 0.02 0.00 0.00 177.57 178.22 1gak h ILE 98 N 0.40 0.91 -0.70 4.57 1.08 -0.81 -1.42 117.51 121.53 1gak h ILE 98 Ca 0.11 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1gak h ILE 98 Cb 0.02 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1gak h ILE 98 CO -0.02 0.06 0.46 0.03 -0.69 0.00 0.00 178.15 177.99 1gak h ARG 99 N 0.31 0.92 -0.26 2.37 2.47 -0.94 0.12 114.38 119.36 1gak h ARG 99 Ca 0.17 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.73 1gak h ARG 99 Cb 0.14 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1gak h ARG 99 CO -0.16 0.61 -0.29 0.93 0.56 0.00 0.00 179.97 181.61 1gak h GLU 100 N 0.94 0.53 0.00 0.04 4.39 -0.95 -2.39 114.58 117.14 1gak h GLU 100 Ca 0.26 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1gak h GLU 100 Cb -0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1gak h GLU 100 CO -0.06 0.77 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.90 1gak h LEU 101 N 0.46 0.00 -1.08 1.33 3.38 -0.11 -2.43 115.31 116.85 1gak h LEU 101 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1gak h LEU 101 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1gak h LEU 101 CO 0.06 0.59 -0.31 1.88 0.09 0.00 0.00 178.44 180.75 1gak h TYR 102 N 0.00 0.30 -0.86 1.13 0.05 -0.73 -2.15 116.97 114.71 1gak h TYR 102 Ca -0.01 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.73 1gak h TYR 102 Cb 1.11 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.73 1gak h TYR 102 CO 0.00 0.55 0.56 0.00 -1.05 0.00 0.00 178.16 178.22 1gak h ALA 103 N 1.45 1.11 -0.03 3.88 0.00 -0.94 -0.88 119.26 123.85 1gak h ALA 103 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gak h ALA 103 Cb 0.66 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gak h ALA 103 CO 0.05 0.44 -0.33 -0.44 0.00 0.00 0.00 179.25 178.97 1gak h ASP 104 N 1.12 0.06 -0.04 0.00 3.32 -1.24 -2.89 116.42 116.75 1gak h ASP 104 Ca 0.33 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1gak h ASP 104 Cb -0.06 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1gak h ASP 104 CO -0.10 0.39 0.02 0.58 -1.72 0.00 0.00 179.24 178.42 1gak h VAL 105 N 0.06 1.04 -0.28 -1.35 2.07 -0.70 -0.22 116.25 116.87 1gak h VAL 105 Ca 0.01 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1gak h VAL 105 Cb 0.62 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1gak h VAL 105 CO 0.05 0.03 -0.38 -0.26 0.02 0.00 0.00 177.57 177.03 1gak h PHE 106 N 0.02 -1.07 0.00 1.57 0.04 -1.27 -2.03 116.94 114.20 1gak h PHE 106 Ca 0.01 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 1gak h PHE 106 Cb 0.03 0.51 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1gak h PHE 106 CO -0.06 -0.43 -0.61 0.07 -0.60 0.00 0.00 178.31 176.68 1gak h ARG 107 N -0.36 0.00 -0.42 1.51 0.11 -1.50 -2.24 114.38 111.47 1gak h ARG 107 Ca 0.12 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.18 1gak h ARG 107 Cb 0.58 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 1gak h ARG 107 CO -0.48 0.61 0.16 -0.44 0.10 0.00 0.00 179.97 179.93 1gak h ASP 108 N 0.00 0.54 -0.09 0.08 3.32 -0.54 -2.12 116.42 117.61 1gak h ASP 108 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1gak h ASP 108 Cb 1.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1gak h ASP 108 CO 0.08 0.50 0.00 1.33 -1.72 0.00 0.00 179.24 179.43 1gak n VAL 109 N -4.37 0.09 -3.01 -1.35 0.24 -0.81 -4.95 118.33 104.18 1gak n VAL 109 Ca 0.03 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.34 61.60 1gak n VAL 109 Cb 0.15 1.29 0.01 0.00 -1.47 0.00 0.00 33.84 33.82 1gak n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gak n GLN 110 N 1.24 -3.87 -3.80 7.34 1.13 -0.80 -4.77 117.38 113.84 1gak n GLN 110 Ca 0.15 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.96 1gak n GLN 110 Cb 0.57 -5.52 0.00 0.00 0.11 0.00 0.00 30.24 25.40 1gak n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gak n GLY 111 N -1.29 -0.77 0.76 1.08 0.00 -0.95 -4.96 105.19 99.05 1gak n GLY 111 Ca -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.94 1gak n GLY 111 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gak n PHE 112 N 7.24 0.41 0.04 1.61 3.72 -1.26 -4.69 117.46 124.53 1gak n PHE 112 Ca 0.00 -0.33 -0.02 0.00 -0.05 0.00 0.00 57.45 57.05 1gak n PHE 112 Cb 0.00 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1gak n PHE 112 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1gak h ARG 113 N 2.75 -0.10 0.00 -1.08 0.11 -1.90 -2.09 114.38 112.07 1gak h ARG 113 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1gak h ARG 113 Cb 0.74 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.85 1gak h ARG 113 CO 0.00 -0.07 0.00 0.41 0.10 0.00 0.00 179.97 180.41 1gak n GLY 114 N 0.74 -0.62 3.66 0.08 0.00 -1.26 -3.26 105.19 104.53 1gak n GLY 114 Ca -0.01 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1gak n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gak s PRO 115 N -2.77 0.73 0.39 1.61 0.04 -1.26 -4.70 135.00 129.04 1gak s PRO 115 Ca 0.00 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1gak s PRO 115 Cb 0.00 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1gak s PRO 115 CO 0.00 -2.63 1.13 -1.59 0.04 0.00 0.00 177.00 173.95 1gak s LYS 116 N -4.80 4.12 -0.04 4.56 0.00 -1.26 -3.51 119.74 118.81 1gak s LYS 116 Ca 0.65 1.74 -0.30 0.00 0.00 0.00 0.00 55.97 58.06 1gak s LYS 116 Cb -0.20 -2.67 -0.02 0.00 0.00 0.00 0.00 37.83 34.93 1gak s LYS 116 CO 0.59 -0.24 0.99 -1.64 0.00 0.00 0.00 175.35 175.05 1gak s MET 117 N -2.30 4.51 0.36 1.78 -1.94 -1.26 -4.91 119.30 115.55 1gak s MET 117 Ca 0.56 1.41 0.08 0.00 -1.71 0.00 0.00 55.69 56.03 1gak s MET 117 Cb -0.28 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.03 1gak s MET 117 CO 0.36 -0.14 0.21 0.95 -0.01 0.00 0.00 175.02 176.38 1gak s THR 118 N 1.35 2.94 0.22 2.05 -4.23 -1.26 -4.99 115.64 111.71 1gak s THR 118 Ca 0.51 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1gak s THR 118 Cb -0.20 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.79 1gak s THR 118 CO 0.25 -0.13 1.82 0.00 -0.54 0.00 0.00 174.62 176.02 1gak h ALA 119 N 1.41 0.97 -0.74 3.99 0.00 -1.99 -0.98 119.26 121.91 1gak h ALA 119 Ca -0.43 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1gak h ALA 119 Cb 1.25 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1gak h ALA 119 CO 0.63 0.11 0.46 0.00 0.00 0.00 0.00 179.25 180.44 1gak h ALA 120 N 1.36 0.99 -0.52 0.00 0.00 -1.99 -0.59 119.26 118.51 1gak h ALA 120 Ca 0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1gak h ALA 120 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1gak h ALA 120 CO -0.18 0.21 -0.04 0.52 0.00 0.00 0.00 179.25 179.77 1gak h MET 121 N 0.87 0.90 -0.32 0.00 2.07 -1.72 -1.52 114.93 115.20 1gak h MET 121 Ca 0.31 -0.28 -0.11 0.00 -2.07 0.00 0.00 59.70 57.55 1gak h MET 121 Cb 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 1gak h MET 121 CO -0.14 0.92 -0.27 0.00 1.07 0.00 0.00 176.91 178.49 1gak h ARG 122 N 0.83 0.65 -0.14 1.72 3.08 -0.55 -0.19 114.38 119.78 1gak h ARG 122 Ca 0.15 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1gak h ARG 122 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1gak h ARG 122 CO 0.03 0.85 0.04 -0.22 -1.07 0.00 0.00 179.97 179.61 1gak h LYS 123 N 0.56 0.21 -0.61 0.04 3.64 -0.92 -1.36 116.57 118.13 1gak h LYS 123 Ca 0.07 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1gak h LYS 123 Cb 0.75 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1gak h LYS 123 CO 0.06 0.34 0.40 -0.92 -2.27 0.00 0.00 179.45 177.05 1gak h TYR 124 N 0.04 0.75 -0.17 1.91 5.03 -1.11 -0.50 116.97 122.92 1gak h TYR 124 Ca 0.04 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1gak h TYR 124 Cb 0.21 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1gak h TYR 124 CO -0.00 0.45 0.05 1.03 -1.32 0.00 0.00 178.16 178.37 1gak h SER 125 N 0.80 0.21 0.22 -2.11 0.87 -0.75 -2.69 113.55 110.10 1gak h SER 125 Ca 0.23 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1gak h SER 125 Cb -0.05 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1gak h SER 125 CO -0.07 0.22 -0.68 -1.20 -0.53 0.00 0.00 176.83 174.57 1gak n SER 126 N -4.44 0.90 -4.78 6.23 7.64 -0.54 -4.97 113.62 113.67 1gak n SER 126 Ca -0.00 -0.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 1gak n SER 126 Cb 0.13 0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1gak n SER 126 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1gak s LYS 127 N -2.90 4.10 0.04 1.43 2.20 -0.25 -4.90 119.74 119.45 1gak s LYS 127 Ca 0.12 2.59 -0.30 0.00 -0.36 0.00 0.00 55.97 58.01 1gak s LYS 127 Cb 0.17 -2.97 -0.08 0.00 -1.51 0.00 0.00 37.83 33.44 1gak s LYS 127 CO 0.74 -0.56 1.87 0.34 -0.36 0.00 0.00 175.35 177.38 1gak s ASP 128 N -0.08 6.49 0.52 1.43 2.15 -1.26 -4.84 116.67 121.08 1gak s ASP 128 Ca 0.54 2.60 0.23 0.00 0.43 0.00 0.00 52.55 56.35 1gak s ASP 128 Cb -0.47 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 40.96 1gak s ASP 128 CO 0.62 -1.01 2.01 -0.65 -0.17 0.00 0.00 175.17 175.98 1gak h PRO 129 N 9.93 0.04 0.00 4.34 0.11 -1.92 0.29 132.00 144.78 1gak h PRO 129 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1gak h PRO 129 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gak h PRO 129 CO 0.94 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 1gak n GLY 130 N -1.62 -0.63 0.61 -0.55 0.00 -1.26 -2.12 105.19 99.63 1gak n GLY 130 Ca 0.08 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1gak n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gak n THR 131 N -1.15 0.36 -1.92 2.61 -2.24 0.10 -4.58 114.28 107.45 1gak n THR 131 Ca 0.09 -0.68 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1gak n THR 131 Cb 0.09 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1gak n THR 131 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1gak s PHE 132 N -1.07 3.16 0.55 4.78 0.08 -0.90 -4.98 117.98 119.60 1gak s PHE 132 Ca 0.20 1.46 -0.22 0.00 0.12 0.00 0.00 56.93 58.49 1gak s PHE 132 Cb 0.12 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 1gak s PHE 132 CO 0.17 -1.01 1.37 -1.25 -0.10 0.00 0.00 175.22 174.41 1gak s PRO 133 N -4.50 3.11 -0.46 0.24 0.04 -1.26 -4.97 135.00 127.19 1gak s PRO 133 Ca 0.60 2.26 0.03 0.00 0.04 0.00 0.00 61.00 63.93 1gak s PRO 133 Cb -0.14 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 32.28 1gak s PRO 133 CO 0.44 -1.22 0.24 0.00 0.04 0.00 0.00 177.00 176.49 1gak s LYS 135 N 0.15 0.89 -0.39 0.00 -2.85 -1.26 -4.40 119.74 111.89 1gak s LYS 135 Ca 0.17 0.54 -0.28 0.00 -1.00 0.00 0.00 55.97 55.39 1gak s LYS 135 Cb -0.25 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 1gak s LYS 135 CO -0.01 -0.21 1.70 -0.80 0.10 0.00 0.00 175.35 176.14 1gak s ASN 136 N -0.48 5.93 0.00 0.03 0.01 -1.26 -4.26 114.94 114.92 1gak s ASN 136 Ca -0.06 1.06 0.18 0.00 -0.71 0.00 0.00 52.86 53.33 1gak s ASN 136 Cb -0.03 -2.53 1.08 0.00 0.41 0.00 0.00 41.25 40.19 1gak s ASN 136 CO 0.05 -1.72 1.48 -0.62 -1.51 0.00 0.00 177.10 174.79