#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgl s PRO 1 N 0.00 0.49 0.00 0.03 0.04 -1.26 -5.02 135.00 129.28 1kgl s PRO 1 Ca 0.00 0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1kgl s PRO 1 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1kgl s PRO 1 CO 0.00 -2.62 1.38 0.14 0.04 0.00 0.00 177.00 175.94 1kgl s VAL 2 N -3.23 3.75 -0.53 -0.36 -7.23 -1.21 -4.98 120.40 106.62 1kgl s VAL 2 Ca 0.66 1.14 -0.24 0.00 -1.81 0.00 0.00 61.98 61.73 1kgl s VAL 2 Cb -0.13 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.11 1kgl s VAL 2 CO 0.55 0.00 0.94 -0.62 -0.31 0.00 0.00 175.10 175.66 1kgl s ASP 3 N 1.80 6.38 0.00 4.85 -1.08 -1.26 -4.94 116.67 122.41 1kgl s ASP 3 Ca 0.63 -0.24 0.17 0.00 -0.52 0.00 0.00 52.55 52.59 1kgl s ASP 3 Cb -0.31 -2.44 0.99 0.00 -1.46 0.00 0.00 42.92 39.70 1kgl s ASP 3 CO 0.26 -1.18 1.48 0.49 0.52 0.00 0.00 175.17 176.74 1kgl n PHE 4 N 7.39 0.00 -1.53 -5.34 3.72 -1.26 -4.94 117.46 115.51 1kgl n PHE 4 Ca 0.03 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.95 1kgl n PHE 4 Cb 0.48 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 1kgl n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kgl n ASN 5 N -0.84 2.71 0.00 4.37 3.02 -1.26 -4.47 115.26 118.80 1kgl n ASN 5 Ca 0.12 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1kgl n ASN 5 Cb 0.06 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 1kgl n ASN 5 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kgl n GLY 6 N 6.02 0.50 3.33 7.41 0.00 -0.90 -5.01 105.19 116.54 1kgl n GLY 6 Ca 0.35 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1kgl n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kgl s TYR 7 N -1.92 3.10 -0.25 1.61 6.14 0.27 -1.34 117.35 124.96 1kgl s TYR 7 Ca 0.00 -0.98 0.01 0.00 0.64 0.00 0.00 57.07 56.74 1kgl s TYR 7 Cb 0.00 -2.20 0.05 0.00 0.42 0.00 0.00 41.96 40.22 1kgl s TYR 7 CO 0.00 -0.56 -0.10 -1.58 0.64 0.00 0.00 175.55 173.94 1kgl s TRP 8 N 1.49 3.14 0.07 4.97 0.52 0.72 -0.98 118.94 128.86 1kgl s TRP 8 Ca 0.03 -2.00 -0.15 0.00 0.02 0.00 0.00 56.10 54.00 1kgl s TRP 8 Cb -0.16 -1.98 -0.06 0.00 -1.15 0.00 0.00 33.47 30.12 1kgl s TRP 8 CO 0.01 -0.83 0.49 -1.59 0.02 0.00 0.00 176.95 175.05 1kgl s LYS 9 N 1.20 3.99 -0.02 4.98 -2.85 -0.14 -0.53 119.74 126.37 1kgl s LYS 9 Ca -0.04 0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 55.12 1kgl s LYS 9 Cb -0.18 -3.13 -0.05 0.00 -2.06 0.00 0.00 37.83 32.41 1kgl s LYS 9 CO -0.06 0.61 1.41 1.41 0.10 0.00 0.00 175.35 178.82 1kgl s MET 10 N -1.40 4.27 -0.16 1.78 -2.45 -1.01 -0.25 119.30 120.08 1kgl s MET 10 Ca 0.30 1.95 -0.18 0.00 -1.25 0.00 0.00 55.69 56.51 1kgl s MET 10 Cb -0.17 -3.62 -0.15 0.00 1.25 0.00 0.00 34.83 32.14 1kgl s MET 10 CO 0.17 -0.60 0.25 -0.07 1.05 0.00 0.00 175.02 175.82 1kgl h LEU 11 N 8.61 0.00 -8.07 4.11 3.38 -0.93 -3.48 115.31 118.93 1kgl h LEU 11 Ca -0.37 -0.46 -0.20 0.00 0.09 0.00 0.00 57.88 56.94 1kgl h LEU 11 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.72 1kgl h LEU 11 CO 0.91 1.05 -0.71 -0.94 0.09 0.00 0.00 178.44 178.85 1kgl s SER 12 N -6.25 0.47 -0.18 -0.43 1.04 -1.19 -5.00 113.70 102.16 1kgl s SER 12 Ca -0.19 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 1kgl s SER 12 Cb 0.02 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1kgl s SER 12 CO 0.45 -0.29 -0.04 0.21 0.98 0.00 0.00 173.24 174.55 1kgl s ASN 13 N -1.63 3.01 -0.22 7.02 2.47 -1.26 -2.06 114.94 122.26 1kgl s ASN 13 Ca -0.12 -0.77 -0.01 0.00 0.42 0.00 0.00 52.86 52.38 1kgl s ASN 13 Cb -0.08 -0.92 0.02 0.00 -1.45 0.00 0.00 41.25 38.81 1kgl s ASN 13 CO -0.01 -0.21 -0.10 -0.70 -3.72 0.00 0.00 177.10 172.36 1kgl s GLU 14 N 1.62 2.97 -1.23 0.43 2.12 0.13 -4.80 118.70 119.94 1kgl s GLU 14 Ca -0.01 -0.88 -0.05 0.00 0.36 0.00 0.00 54.97 54.40 1kgl s GLU 14 Cb -0.16 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.36 1kgl s GLU 14 CO -0.07 -0.31 0.62 -1.71 -0.54 0.00 0.00 175.26 173.25 1kgl n ASN 15 N 4.67 -5.39 0.01 -1.70 5.15 -1.26 -1.07 115.26 115.68 1kgl n ASN 15 Ca -0.18 -0.29 -0.18 0.00 -0.60 0.00 0.00 54.58 53.33 1kgl n ASN 15 Cb 0.48 -4.17 -0.08 0.00 -0.53 0.00 0.00 39.78 35.48 1kgl n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1kgl h PHE 16 N -1.43 1.05 -0.75 1.20 3.57 -1.88 -2.96 116.94 115.75 1kgl h PHE 16 Ca -0.44 -0.51 -0.01 0.00 3.53 0.00 0.00 57.97 60.53 1kgl h PHE 16 Cb 1.30 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1kgl h PHE 16 CO 0.42 1.35 0.42 0.93 -2.23 0.00 0.00 178.31 179.20 1kgl h GLU 17 N 0.47 1.04 -0.41 1.11 5.08 -1.94 0.38 114.58 120.32 1kgl h GLU 17 Ca -0.09 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1kgl h GLU 17 Cb 1.54 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1kgl h GLU 17 CO 0.18 0.77 -0.32 1.49 -1.00 0.00 0.00 179.01 180.12 1kgl h GLU 18 N 1.03 0.92 -0.29 2.33 4.81 -1.99 -1.37 114.58 120.02 1kgl h GLU 18 Ca 0.26 -0.45 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1kgl h GLU 18 Cb 0.02 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1kgl h GLU 18 CO -0.04 1.10 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.40 1kgl h TYR 19 N 0.77 -0.05 -0.53 0.92 3.20 -1.43 -0.84 116.97 119.00 1kgl h TYR 19 Ca 0.08 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1kgl h TYR 19 Cb 0.90 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1kgl h TYR 19 CO 0.06 -0.07 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.38 1kgl h LEU 20 N 0.06 0.97 -0.52 2.82 3.38 -0.95 -1.79 115.31 119.28 1kgl h LEU 20 Ca 0.14 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1kgl h LEU 20 Cb 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1kgl h LEU 20 CO -0.25 1.07 0.19 -0.09 0.09 0.00 0.00 178.44 179.45 1kgl h ARG 21 N 0.85 0.36 0.00 1.13 2.43 -1.26 -1.77 114.38 116.11 1kgl h ARG 21 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1kgl h ARG 21 Cb 0.60 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1kgl h ARG 21 CO 0.04 0.24 0.00 0.00 -1.51 0.00 0.00 179.97 178.74 1kgl h ALA 22 N 1.35 1.00 -0.16 2.80 0.00 -1.01 -2.34 119.26 120.91 1kgl h ALA 22 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1kgl h ALA 22 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kgl h ALA 22 CO -0.25 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1kgl n LEU 23 N -2.82 1.85 -2.69 0.00 4.77 -0.68 -4.63 117.00 112.80 1kgl n LEU 23 Ca -0.02 -0.75 -0.11 0.00 -0.03 0.00 0.00 56.01 55.10 1kgl n LEU 23 Cb 0.07 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1kgl n LEU 23 CO 0.17 0.37 0.06 0.47 -1.33 0.00 0.00 177.39 177.14 1kgl n ASP 24 N 0.44 -2.72 -4.82 -1.43 10.43 -0.88 -4.82 116.55 112.75 1kgl n ASP 24 Ca 0.17 -0.44 -0.34 0.00 2.57 0.00 0.00 54.79 56.75 1kgl n ASP 24 Cb 0.37 -3.73 -0.06 0.00 1.84 0.00 0.00 41.12 39.54 1kgl n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1kgl s VAL 25 N -3.25 4.97 0.72 2.53 1.01 -0.73 -4.99 120.40 120.65 1kgl s VAL 25 Ca 0.07 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1kgl s VAL 25 Cb -0.01 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1kgl s VAL 25 CO 0.51 0.39 1.19 0.54 0.00 0.00 0.00 175.10 177.73 1kgl s ASN 26 N -1.64 4.36 0.17 3.32 2.20 -1.26 -4.61 114.94 117.49 1kgl s ASN 26 Ca 0.22 2.28 -0.14 0.00 -0.94 0.00 0.00 52.86 54.29 1kgl s ASN 26 Cb -0.12 -2.58 0.06 0.00 -2.00 0.00 0.00 41.25 36.61 1kgl s ASN 26 CO 0.13 -2.14 1.81 0.58 -2.94 0.00 0.00 177.10 174.54 1kgl h VAL 27 N -0.24 1.16 -0.20 3.54 2.07 -1.99 -2.36 116.25 118.23 1kgl h VAL 27 Ca -0.47 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1kgl h VAL 27 Cb 1.29 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1kgl h VAL 27 CO 0.50 0.16 -0.10 0.00 0.02 0.00 0.00 177.57 178.15 1kgl h ALA 28 N 1.17 0.06 -0.85 1.67 0.00 -1.99 -0.91 119.26 118.40 1kgl h ALA 28 Ca 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1kgl h ALA 28 Cb -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1kgl h ALA 28 CO -0.04 -0.53 0.41 1.25 0.00 0.00 0.00 179.25 180.35 1kgl h LEU 29 N -0.09 1.11 -0.97 0.00 6.46 -1.96 -0.55 115.31 119.32 1kgl h LEU 29 Ca 0.11 -0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.85 1kgl h LEU 29 Cb 0.25 -0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 1kgl h LEU 29 CO -0.25 0.93 0.60 0.03 -0.62 0.00 0.00 178.44 179.13 1kgl h ARG 30 N 1.21 0.95 -0.06 1.25 3.08 -1.24 0.97 114.38 120.54 1kgl h ARG 30 Ca 0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1kgl h ARG 30 Cb 0.11 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1kgl h ARG 30 CO -0.04 0.63 -0.06 0.87 -1.07 0.00 0.00 179.97 180.30 1kgl h LYS 31 N 0.98 0.15 0.66 0.04 1.79 -0.96 -3.13 116.57 116.09 1kgl h LYS 31 Ca 0.47 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1kgl h LYS 31 Cb 0.42 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1kgl h LYS 31 CO -0.25 0.59 -0.32 0.82 -1.08 0.00 0.00 179.45 179.22 1kgl h ILE 32 N -0.29 0.24 -0.03 1.86 2.04 -1.04 -2.90 117.51 117.39 1kgl h ILE 32 Ca 0.01 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1kgl h ILE 32 Cb 0.56 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1kgl h ILE 32 CO 0.01 0.02 -0.19 0.00 0.00 0.00 0.00 178.15 178.00 1kgl h ALA 33 N -0.85 1.64 -0.28 1.87 0.00 -0.98 -2.25 119.26 118.40 1kgl h ALA 33 Ca -0.09 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1kgl h ALA 33 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1kgl h ALA 33 CO 0.15 0.27 -0.36 -0.97 0.00 0.00 0.00 179.25 178.34 1kgl h ASN 34 N 0.04 0.67 1.14 0.00 -1.24 -1.65 -3.30 115.58 111.25 1kgl h ASN 34 Ca 0.01 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 1kgl h ASN 34 Cb 0.36 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1kgl h ASN 34 CO 0.03 0.97 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.81 1kgl h LEU 35 N 0.53 0.00-10.14 0.34 3.38 -1.26 -3.48 115.31 104.69 1kgl h LEU 35 Ca 0.05 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 1kgl h LEU 35 Cb 0.87 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.68 1kgl h LEU 35 CO 0.08 0.25 0.39 -0.76 0.09 0.00 0.00 178.44 178.49 1kgl s LEU 36 N -6.64 3.63 -0.80 1.67 1.43 -0.88 -5.05 118.68 112.04 1kgl s LEU 36 Ca 0.02 1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 1kgl s LEU 36 Cb 0.09 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.97 1kgl s LEU 36 CO 0.66 -1.16 0.73 -0.54 0.23 0.00 0.00 176.35 176.26 1kgl s LYS 37 N -3.67 3.48 0.45 1.70 -0.14 -1.26 -5.04 119.74 115.27 1kgl s LYS 37 Ca 0.67 -2.46 -0.23 0.00 -1.36 0.00 0.00 55.97 52.59 1kgl s LYS 37 Cb -0.19 -4.35 -0.08 0.00 -1.68 0.00 0.00 37.83 31.53 1kgl s LYS 37 CO 0.31 -1.28 1.14 -1.25 -0.76 0.00 0.00 175.35 173.51 1kgl s PRO 38 N 0.16 3.81 -0.28 -1.68 0.04 -1.26 -4.82 135.00 130.97 1kgl s PRO 38 Ca 0.18 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1kgl s PRO 38 Cb -0.12 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1kgl s PRO 38 CO -0.08 -0.49 -0.00 -0.51 0.04 0.00 0.00 177.00 175.96 1kgl s ASP 39 N -1.41 4.73 -0.50 6.66 1.11 0.33 -2.41 116.67 125.17 1kgl s ASP 39 Ca 0.63 -0.98 -0.22 0.00 0.18 0.00 0.00 52.55 52.16 1kgl s ASP 39 Cb -0.27 -1.74 0.04 0.00 1.07 0.00 0.00 42.92 42.02 1kgl s ASP 39 CO 0.33 -0.20 0.78 -0.54 1.18 0.00 0.00 175.17 176.72 1kgl s LYS 40 N 1.34 3.29 -0.45 8.23 1.02 0.31 -0.68 119.74 132.80 1kgl s LYS 40 Ca -0.01 -0.40 -0.16 0.00 0.02 0.00 0.00 55.97 55.42 1kgl s LYS 40 Cb -0.18 -4.02 0.05 0.00 -0.52 0.00 0.00 37.83 33.16 1kgl s LYS 40 CO -0.01 -1.26 0.41 -2.00 -0.92 0.00 0.00 175.35 171.57 1kgl s GLU 41 N 3.28 3.01 -0.18 1.68 2.12 -0.15 -0.20 118.70 128.26 1kgl s GLU 41 Ca 0.25 -1.11 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 1kgl s GLU 41 Cb -0.14 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.13 1kgl s GLU 41 CO 0.18 -0.96 0.15 0.42 -0.54 0.00 0.00 175.26 174.51 1kgl s ILE 42 N 1.86 5.41 -0.34 -3.70 1.09 -0.45 -0.83 121.20 124.25 1kgl s ILE 42 Ca 0.07 0.23 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1kgl s ILE 42 Cb -0.21 -3.48 0.06 0.00 -1.06 0.00 0.00 42.46 37.78 1kgl s ILE 42 CO 0.09 0.46 0.08 -0.69 -0.10 0.00 0.00 174.94 174.78 1kgl s VAL 43 N 0.17 3.23 -0.52 2.92 1.01 -0.46 -2.12 120.40 124.64 1kgl s VAL 43 Ca 0.10 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 1kgl s VAL 43 Cb -0.11 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.37 1kgl s VAL 43 CO -0.01 -0.29 0.66 -1.58 0.00 0.00 0.00 175.10 173.89 1kgl s GLN 44 N 1.25 3.13 -1.15 2.72 0.74 -1.26 -0.94 119.66 124.15 1kgl s GLN 44 Ca -0.01 -0.89 -0.09 0.00 0.05 0.00 0.00 55.36 54.43 1kgl s GLN 44 Cb -0.21 -4.11 0.25 0.00 1.10 0.00 0.00 33.01 30.04 1kgl s GLN 44 CO -0.01 -1.28 1.41 -3.47 -0.55 0.00 0.00 175.29 171.39 1kgl n ASP 45 N 6.30 5.67 0.00 6.67 2.03 0.02 -4.92 116.55 132.32 1kgl n ASP 45 Ca -0.06 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.10 1kgl n ASP 45 Cb 0.45 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1kgl n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kgl n GLY 46 N 2.57 1.11 0.08 0.27 0.00 -1.26 -2.03 105.19 105.93 1kgl n GLY 46 Ca 0.30 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 1kgl n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1kgl h ASP 47 N 0.00 0.16 -3.37 1.61 2.03 -1.96 -3.46 116.42 111.44 1kgl h ASP 47 Ca 0.00 -0.19 -0.57 0.00 -0.73 0.00 0.00 57.03 55.55 1kgl h ASP 47 Cb 0.00 -0.05 -0.08 0.00 -0.83 0.00 0.00 39.33 38.37 1kgl h ASP 47 CO 0.00 1.15 0.88 -2.28 -1.03 0.00 0.00 179.24 177.96 1kgl s HIS 48 N -2.67 2.71 -0.17 4.15 2.46 -0.86 -2.11 115.29 118.79 1kgl s HIS 48 Ca -0.02 0.43 -0.00 0.00 0.47 0.00 0.00 55.06 55.94 1kgl s HIS 48 Cb 0.09 -4.40 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 1kgl s HIS 48 CO 0.84 -1.44 -0.14 1.41 -2.47 0.00 0.00 174.74 172.94 1kgl s MET 49 N 4.61 3.21 -0.42 2.88 1.75 0.22 -0.80 119.30 130.76 1kgl s MET 49 Ca 0.42 -0.74 -0.06 0.00 -1.25 0.00 0.00 55.69 54.06 1kgl s MET 49 Cb -0.08 -2.67 0.10 0.00 2.84 0.00 0.00 34.83 35.02 1kgl s MET 49 CO 0.26 -0.04 0.24 0.42 -0.65 0.00 0.00 175.02 175.25 1kgl s ILE 50 N 0.97 3.68 -0.48 10.11 1.09 -0.12 -2.04 121.20 134.41 1kgl s ILE 50 Ca -0.02 -1.82 -0.17 0.00 -1.10 0.00 0.00 60.65 57.54 1kgl s ILE 50 Cb -0.15 -3.42 0.07 0.00 -1.06 0.00 0.00 42.46 37.90 1kgl s ILE 50 CO -0.02 -0.64 0.46 -0.63 -0.10 0.00 0.00 174.94 174.01 1kgl s ILE 51 N 1.26 5.12 -0.58 2.92 1.01 0.23 -1.36 121.20 129.80 1kgl s ILE 51 Ca 0.06 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 1kgl s ILE 51 Cb -0.24 -4.17 0.12 0.00 0.01 0.00 0.00 42.46 38.19 1kgl s ILE 51 CO -0.02 -0.63 0.61 -0.13 0.00 0.00 0.00 174.94 174.77 1kgl s ARG 52 N 1.95 3.05 -0.74 2.79 0.52 -0.01 -0.69 118.95 125.82 1kgl s ARG 52 Ca 0.08 -1.57 -0.22 0.00 -0.52 0.00 0.00 55.73 53.50 1kgl s ARG 52 Cb -0.22 -4.30 0.08 0.00 0.52 0.00 0.00 34.95 31.03 1kgl s ARG 52 CO 0.08 -1.43 1.03 0.99 0.02 0.00 0.00 175.30 175.99 1kgl s THR 53 N 2.04 4.40 -0.26 0.02 2.01 -0.19 -0.98 115.64 122.69 1kgl s THR 53 Ca 0.08 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1kgl s THR 53 Cb -0.26 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.47 1kgl s THR 53 CO 0.04 -1.49 0.17 -0.76 -0.69 0.00 0.00 174.62 171.89 1kgl s LEU 54 N 3.77 4.02 0.05 4.42 1.43 0.14 -0.79 118.68 131.71 1kgl s LEU 54 Ca 0.26 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1kgl s LEU 54 Cb -0.13 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1kgl s LEU 54 CO 0.05 -0.01 -0.03 -0.55 0.23 0.00 0.00 176.35 176.03 1kgl s SER 55 N 1.51 0.50 0.40 2.29 0.15 -1.11 -0.52 113.70 116.92 1kgl s SER 55 Ca 0.07 -0.86 0.12 0.00 0.70 0.00 0.00 55.95 55.98 1kgl s SER 55 Cb -0.15 0.16 0.83 0.00 -1.71 0.00 0.00 66.02 65.15 1kgl s SER 55 CO 0.08 -0.50 1.91 0.71 1.20 0.00 0.00 173.24 176.64 1kgl h THR 56 N 3.54 1.19 -0.01 6.45 1.35 -1.98 -3.07 112.91 120.38 1kgl h THR 56 Ca -0.34 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 1kgl h THR 56 Cb 1.16 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1kgl h THR 56 CO 0.59 0.26 -0.10 0.15 -0.25 0.00 0.00 175.52 176.17 1kgl h PHE 57 N 0.09 0.12 -2.53 4.73 3.57 -2.00 -3.48 116.94 117.43 1kgl h PHE 57 Ca 0.01 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 1kgl h PHE 57 Cb 0.45 -0.02 -0.23 0.00 2.79 0.00 0.00 35.95 38.94 1kgl h PHE 57 CO 0.00 0.82 -0.14 0.50 -2.23 0.00 0.00 178.31 177.26 1kgl s ARG 58 N -3.25 0.57 -0.16 1.11 3.52 -1.16 -5.15 118.95 114.42 1kgl s ARG 58 Ca -0.17 0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 55.99 1kgl s ARG 58 Cb 0.00 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1kgl s ARG 58 CO 0.71 -0.08 0.39 -0.80 -0.81 0.00 0.00 175.30 174.71 1kgl s ASN 59 N 0.40 6.52 -0.32 -2.12 -0.87 -1.26 -2.76 114.94 114.54 1kgl s ASN 59 Ca -0.01 0.61 0.03 0.00 -1.57 0.00 0.00 52.86 51.92 1kgl s ASN 59 Cb -0.04 -2.24 0.08 0.00 -0.02 0.00 0.00 41.25 39.04 1kgl s ASN 59 CO -0.01 -0.00 0.01 -0.47 -2.57 0.00 0.00 177.10 174.06 1kgl s TYR 60 N 0.86 3.56 -0.16 2.20 5.04 0.03 -4.98 117.35 123.89 1kgl s TYR 60 Ca 0.21 -2.65 -0.17 0.00 -2.44 0.00 0.00 57.07 52.02 1kgl s TYR 60 Cb -0.14 -2.58 -0.04 0.00 0.35 0.00 0.00 41.96 39.55 1kgl s TYR 60 CO 0.07 -0.92 0.43 0.42 -1.34 0.00 0.00 175.55 174.21 1kgl s ILE 61 N 1.01 5.21 -0.34 3.14 1.09 -1.26 -1.02 121.20 129.03 1kgl s ILE 61 Ca 0.03 0.81 -0.01 0.00 -1.10 0.00 0.00 60.65 60.39 1kgl s ILE 61 Cb -0.20 -3.76 0.08 0.00 -1.06 0.00 0.00 42.46 37.52 1kgl s ILE 61 CO -0.06 0.30 0.07 -0.04 -0.10 0.00 0.00 174.94 175.11 1kgl s MET 62 N 0.87 2.11 -0.29 2.79 -1.94 0.13 -4.97 119.30 118.00 1kgl s MET 62 Ca 0.22 -1.57 -0.05 0.00 -1.71 0.00 0.00 55.69 52.59 1kgl s MET 62 Cb -0.15 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.41 1kgl s MET 62 CO 0.08 -0.83 0.04 0.16 -0.01 0.00 0.00 175.02 174.46 1kgl s ASP 63 N 1.38 4.91 -0.04 3.03 -4.77 -1.26 -0.60 116.67 119.31 1kgl s ASP 63 Ca 0.02 -0.88 -0.21 0.00 -3.30 0.00 0.00 52.55 48.18 1kgl s ASP 63 Cb -0.21 -1.80 0.04 0.00 -1.09 0.00 0.00 42.92 39.86 1kgl s ASP 63 CO -0.04 -0.20 0.46 0.72 0.70 0.00 0.00 175.17 176.81 1kgl s PHE 64 N 1.41 -0.38 -0.13 2.11 -0.12 -0.87 -5.01 117.98 114.99 1kgl s PHE 64 Ca 0.00 0.65 -0.18 0.00 -0.05 0.00 0.00 56.93 57.35 1kgl s PHE 64 Cb -0.18 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1kgl s PHE 64 CO 0.00 -0.46 0.46 -0.65 -0.05 0.00 0.00 175.22 174.52 1kgl s GLN 65 N -1.18 4.31 0.11 1.99 -0.21 -1.26 -0.61 119.66 122.82 1kgl s GLN 65 Ca -0.12 0.40 -0.31 0.00 0.02 0.00 0.00 55.36 55.36 1kgl s GLN 65 Cb -0.03 -3.45 -0.08 0.00 1.00 0.00 0.00 33.01 30.45 1kgl s GLN 65 CO 0.06 0.13 1.41 0.08 -2.12 0.00 0.00 175.29 174.85 1kgl s VAL 66 N 0.74 3.28 0.00 1.09 1.01 -0.90 -2.21 120.40 123.41 1kgl s VAL 66 Ca 0.25 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1kgl s VAL 66 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1kgl s VAL 66 CO 0.09 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1kgl n GLY 67 N 3.54 2.11 3.74 4.51 0.00 0.55 -4.98 105.19 114.67 1kgl n GLY 67 Ca 0.12 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1kgl n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kgl s LYS 68 N 0.00 4.49 -0.72 1.61 -0.14 -0.94 -4.85 119.74 119.19 1kgl s LYS 68 Ca 0.00 1.05 -0.23 0.00 -1.36 0.00 0.00 55.97 55.43 1kgl s LYS 68 Cb 0.00 -3.38 0.07 0.00 -1.68 0.00 0.00 37.83 32.84 1kgl s LYS 68 CO 0.00 0.22 1.06 -2.00 -0.76 0.00 0.00 175.35 173.87 1kgl s GLU 69 N 0.17 3.20 0.03 1.68 2.12 -1.26 -4.02 118.70 120.63 1kgl s GLU 69 Ca 0.39 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1kgl s GLU 69 Cb -0.20 -4.35 -0.04 0.00 0.26 0.00 0.00 34.13 29.80 1kgl s GLU 69 CO 0.22 -1.89 0.07 -0.59 -0.54 0.00 0.00 175.26 172.53 1kgl s PHE 70 N 4.23 3.21 -0.47 5.30 -0.71 -0.20 -4.77 117.98 124.58 1kgl s PHE 70 Ca 0.26 0.13 -0.28 0.00 -1.04 0.00 0.00 56.93 56.01 1kgl s PHE 70 Cb -0.13 -1.68 -0.01 0.00 -1.21 0.00 0.00 43.02 39.99 1kgl s PHE 70 CO 0.08 0.52 1.66 -1.83 -1.34 0.00 0.00 175.22 174.31 1kgl s GLU 71 N -1.98 3.19 -0.37 1.99 -1.05 -1.26 -0.97 118.70 118.25 1kgl s GLU 71 Ca 0.25 0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 55.97 1kgl s GLU 71 Cb -0.12 -4.20 0.09 0.00 -0.44 0.00 0.00 34.13 29.46 1kgl s GLU 71 CO 0.17 -2.04 0.14 -2.00 0.95 0.00 0.00 175.26 172.47 1kgl s GLU 72 N 5.84 2.11 -0.31 -4.83 2.12 0.57 -4.97 118.70 119.23 1kgl s GLU 72 Ca 0.67 -1.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 1kgl s GLU 72 Cb -0.16 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.79 1kgl s GLU 72 CO 0.28 -0.93 1.08 0.34 -0.54 0.00 0.00 175.26 175.50 1kgl s ASP 73 N 1.61 6.94 -0.64 -1.70 -1.08 -1.26 -1.26 116.67 119.27 1kgl s ASP 73 Ca 0.05 1.09 -0.02 0.00 -0.52 0.00 0.00 52.55 53.14 1kgl s ASP 73 Cb -0.22 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.01 1kgl s ASP 73 CO -0.03 -0.87 2.18 0.18 0.52 0.00 0.00 175.17 177.14 1kgl n LEU 74 N 6.85 7.24 -4.74 -1.34 4.77 0.09 -4.93 117.00 124.94 1kgl n LEU 74 Ca 0.12 -4.30 -0.41 0.00 -0.03 0.00 0.00 56.01 51.39 1kgl n LEU 74 Cb 0.47 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1kgl n LEU 74 CO 0.59 1.59 0.75 0.28 -1.33 0.00 0.00 177.39 179.27 1kgl s THR 75 N -4.06 3.87 0.00 -5.08 -1.32 -1.26 -1.27 115.64 106.52 1kgl s THR 75 Ca 0.54 1.73 0.00 0.00 -1.21 0.00 0.00 61.69 62.75 1kgl s THR 75 Cb 0.42 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 1kgl s THR 75 CO -0.20 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1kgl n GLY 76 N 1.73 2.73 0.00 6.08 0.00 -1.26 -4.88 105.19 109.59 1kgl n GLY 76 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1kgl n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kgl n ILE 77 N 0.00 0.00 -2.06 -0.61 5.41 -1.00 -4.87 119.36 116.24 1kgl n ILE 77 Ca 0.00 0.32 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1kgl n ILE 77 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1kgl n ILE 77 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1kgl n ASP 78 N -1.15 0.11 -3.89 4.38 5.75 -0.84 -4.87 116.55 116.04 1kgl n ASP 78 Ca 0.00 -1.99 -0.25 0.00 -0.01 0.00 0.00 54.79 52.55 1kgl n ASP 78 Cb 0.00 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1kgl n ASP 78 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1kgl n ASP 79 N 0.06 -0.93 -4.16 -1.12 -0.08 -0.39 -4.94 116.55 104.98 1kgl n ASP 79 Ca 0.01 -0.94 -0.23 0.00 -1.51 0.00 0.00 54.79 52.12 1kgl n ASP 79 Cb 0.75 -3.39 -0.14 0.00 2.34 0.00 0.00 41.12 40.68 1kgl n ASP 79 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1kgl s ARG 80 N -6.40 1.22 -0.54 -0.67 0.52 -1.26 -4.86 118.95 106.96 1kgl s ARG 80 Ca 0.07 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.42 1kgl s ARG 80 Cb -0.04 -1.22 0.10 0.00 0.52 0.00 0.00 34.95 34.31 1kgl s ARG 80 CO 0.86 0.32 0.57 0.15 0.02 0.00 0.00 175.30 177.22 1kgl s LYS 81 N -0.73 3.03 0.03 3.54 1.02 -1.26 -0.73 119.74 124.63 1kgl s LYS 81 Ca 0.05 -1.38 -0.00 0.00 0.02 0.00 0.00 55.97 54.65 1kgl s LYS 81 Cb -0.07 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 32.97 1kgl s LYS 81 CO 0.00 -1.33 0.15 0.00 -0.92 0.00 0.00 175.35 173.25 1kgl s MET 83 N -2.12 3.34 -0.24 0.00 -1.94 0.65 -0.31 119.30 118.69 1kgl s MET 83 Ca 0.29 -1.22 -0.09 0.00 -1.71 0.00 0.00 55.69 52.95 1kgl s MET 83 Cb -0.12 -4.59 -0.04 0.00 2.01 0.00 0.00 34.83 32.08 1kgl s MET 83 CO 0.21 -1.83 0.13 0.99 -0.01 0.00 0.00 175.02 174.50 1kgl s THR 84 N 3.60 5.04 -0.21 2.05 2.01 -0.14 -2.18 115.64 125.81 1kgl s THR 84 Ca 0.28 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 1kgl s THR 84 Cb -0.11 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1kgl s THR 84 CO 0.01 0.35 0.02 -0.89 -0.69 0.00 0.00 174.62 173.42 1kgl s THR 85 N 1.15 4.11 -0.17 -0.82 2.01 -0.82 -1.03 115.64 120.07 1kgl s THR 85 Ca 0.06 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1kgl s THR 85 Cb -0.14 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1kgl s THR 85 CO 0.05 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 1kgl s VAL 86 N 1.12 3.93 0.11 3.82 1.01 -1.26 -1.57 120.40 127.56 1kgl s VAL 86 Ca 0.03 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1kgl s VAL 86 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1kgl s VAL 86 CO 0.02 0.48 -0.23 -0.55 0.00 0.00 0.00 175.10 174.82 1kgl s SER 87 N 0.49 2.76 -0.33 3.32 0.15 0.37 -0.33 113.70 120.13 1kgl s SER 87 Ca -0.03 -0.69 -0.20 0.00 0.70 0.00 0.00 55.95 55.72 1kgl s SER 87 Cb -0.14 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1kgl s SER 87 CO 0.03 0.10 0.64 0.26 1.20 0.00 0.00 173.24 175.47 1kgl s TRP 88 N -1.11 3.18 -1.10 3.44 0.23 -1.26 -0.40 118.94 121.92 1kgl s TRP 88 Ca 0.09 0.46 -0.04 0.00 -2.03 0.00 0.00 56.10 54.58 1kgl s TRP 88 Cb -0.10 -3.09 0.29 0.00 0.03 0.00 0.00 33.47 30.60 1kgl s TRP 88 CO 0.05 -0.57 1.69 -3.47 0.96 0.00 0.00 176.95 175.61 1kgl n ASP 89 N 5.99 6.72 0.00 2.95 -0.08 0.18 -5.00 116.55 127.31 1kgl n ASP 89 Ca -0.01 -3.46 0.00 0.00 -1.51 0.00 0.00 54.79 49.81 1kgl n ASP 89 Cb 0.49 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.68 1kgl n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kgl n GLY 90 N 1.03 0.29 0.09 0.27 0.00 -1.26 -1.55 105.19 104.07 1kgl n GLY 90 Ca 0.36 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 47.10 1kgl n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kgl h ASP 91 N 0.00 0.00 -3.71 1.61 3.45 -1.96 -3.20 116.42 112.62 1kgl h ASP 91 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1kgl h ASP 91 Cb 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.61 1kgl h ASP 91 CO 0.00 0.74 -0.52 -0.54 -1.57 0.00 0.00 179.24 177.36 1kgl s LYS 92 N -2.81 4.01 -0.44 3.56 1.02 -0.59 -4.39 119.74 120.09 1kgl s LYS 92 Ca -0.02 -0.30 -0.22 0.00 0.02 0.00 0.00 55.97 55.45 1kgl s LYS 92 Cb 0.08 -3.58 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1kgl s LYS 92 CO 0.80 -0.04 0.73 -1.17 -0.92 0.00 0.00 175.35 174.76 1kgl s LEU 93 N 1.35 4.34 -0.18 3.17 2.96 0.33 -0.64 118.68 130.00 1kgl s LEU 93 Ca 0.07 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1kgl s LEU 93 Cb -0.15 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.67 1kgl s LEU 93 CO 0.07 -0.86 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.01 1kgl s GLN 94 N 3.11 3.22 -0.03 1.98 -0.21 0.47 -1.27 119.66 126.93 1kgl s GLN 94 Ca 0.27 -0.72 0.07 0.00 0.02 0.00 0.00 55.36 55.00 1kgl s GLN 94 Cb -0.13 -2.74 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 1kgl s GLN 94 CO 0.21 -0.11 -0.23 0.00 -2.12 0.00 0.00 175.29 173.05 1kgl s VAL 96 N -0.44 2.55 -0.69 0.00 0.11 -0.61 -1.82 120.40 119.49 1kgl s VAL 96 Ca 0.06 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.18 1kgl s VAL 96 Cb -0.10 -2.08 0.18 0.00 -1.53 0.00 0.00 36.38 32.85 1kgl s VAL 96 CO 0.00 0.51 0.61 -1.10 -3.33 0.00 0.00 175.10 171.79 1kgl s GLN 97 N 0.97 3.19 -0.30 1.54 -0.21 0.07 -1.94 119.66 122.97 1kgl s GLN 97 Ca -0.03 -2.20 -0.19 0.00 0.02 0.00 0.00 55.36 52.96 1kgl s GLN 97 Cb -0.15 -4.25 -0.01 0.00 1.00 0.00 0.00 33.01 29.60 1kgl s GLN 97 CO -0.03 -1.27 0.58 0.15 -2.12 0.00 0.00 175.29 172.60 1kgl s LYS 98 N 0.64 3.88 0.00 2.91 1.02 -0.92 -4.49 119.74 122.78 1kgl s LYS 98 Ca 0.13 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1kgl s LYS 98 Cb -0.18 -3.73 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1kgl s LYS 98 CO -0.04 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 1kgl n GLY 99 N 4.50 -1.62 0.07 -3.33 0.00 -1.26 -0.25 105.19 103.29 1kgl n GLY 99 Ca -0.02 0.60 0.12 0.00 0.00 0.00 0.00 46.02 46.71 1kgl n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kgl n GLU 100 N 0.00 0.43 -4.39 1.61 4.71 -1.26 -4.95 120.64 116.79 1kgl n GLU 100 Ca 0.00 0.05 -0.24 0.00 -0.01 0.00 0.00 57.16 56.96 1kgl n GLU 100 Cb 0.00 -1.70 -0.13 0.00 -1.01 0.00 0.00 31.44 28.60 1kgl n GLU 100 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1kgl s LYS 101 N -3.27 1.18 -0.42 3.49 -0.14 -1.26 -5.12 119.74 114.20 1kgl s LYS 101 Ca 0.02 -1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 53.27 1kgl s LYS 101 Cb 0.12 -1.39 0.02 0.00 -1.68 0.00 0.00 37.83 34.91 1kgl s LYS 101 CO 0.78 0.33 1.10 -2.00 -0.76 0.00 0.00 175.35 174.80 1kgl s GLU 102 N -1.66 3.83 -0.88 1.68 2.12 -1.26 -3.81 118.70 118.73 1kgl s GLU 102 Ca 0.06 0.71 -0.03 0.00 0.36 0.00 0.00 54.97 56.07 1kgl s GLU 102 Cb -0.10 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1kgl s GLU 102 CO 0.03 -1.20 0.75 0.41 -0.54 0.00 0.00 175.26 174.72 1kgl n GLY 103 N 4.51 -0.08 3.76 -1.50 0.00 -1.26 -2.63 105.19 107.99 1kgl n GLY 103 Ca 0.11 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1kgl n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kgl s ARG 104 N -5.45 4.42 -0.00 1.61 3.52 -1.25 -4.44 118.95 117.35 1kgl s ARG 104 Ca 0.22 0.93 -0.03 0.00 -0.13 0.00 0.00 55.73 56.72 1kgl s ARG 104 Cb -0.10 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1kgl s ARG 104 CO 0.50 0.37 0.12 0.41 -0.81 0.00 0.00 175.30 175.89 1kgl n GLY 105 N 2.29 0.52 3.42 8.12 0.00 -0.97 -0.75 105.19 117.81 1kgl n GLY 105 Ca -0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1kgl n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kgl s TRP 106 N -2.67 -0.49 -0.11 1.61 1.48 -0.76 -0.43 118.94 117.57 1kgl s TRP 106 Ca 0.03 0.80 0.02 0.00 -1.06 0.00 0.00 56.10 55.89 1kgl s TRP 106 Cb -0.00 0.31 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1kgl s TRP 106 CO -0.00 -0.54 -0.16 0.99 -4.06 0.00 0.00 176.95 173.17 1kgl s THR 107 N -1.34 1.54 -0.08 0.66 2.01 0.23 -0.37 115.64 118.29 1kgl s THR 107 Ca -0.11 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1kgl s THR 107 Cb -0.02 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1kgl s THR 107 CO 0.07 0.45 -0.15 -1.58 -0.69 0.00 0.00 174.62 172.72 1kgl s GLN 108 N 0.91 2.04 0.24 4.92 0.74 -0.40 -0.87 119.66 127.25 1kgl s GLN 108 Ca -0.08 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 54.73 1kgl s GLN 108 Cb -0.15 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 1kgl s GLN 108 CO -0.01 0.04 0.34 1.67 -0.55 0.00 0.00 175.29 176.79 1kgl s TRP 109 N 0.66 0.75 -0.17 1.67 -2.14 -0.32 -0.51 118.94 118.88 1kgl s TRP 109 Ca -0.14 -1.04 -0.03 0.00 2.66 0.00 0.00 56.10 57.55 1kgl s TRP 109 Cb -0.16 -0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.05 1kgl s TRP 109 CO 0.04 -0.87 -0.05 0.42 -2.66 0.00 0.00 176.95 173.83 1kgl s ILE 110 N -3.98 3.70 -0.62 0.66 1.01 -1.26 -0.55 121.20 120.16 1kgl s ILE 110 Ca 0.30 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1kgl s ILE 110 Cb 0.02 -2.63 0.16 0.00 0.01 0.00 0.00 42.46 40.02 1kgl s ILE 110 CO 0.11 0.48 0.44 -1.61 0.00 0.00 0.00 174.94 174.36 1kgl s GLU 111 N 0.63 2.59 6.34 2.79 2.02 0.67 -4.98 118.70 128.76 1kgl s GLU 111 Ca -0.03 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.52 1kgl s GLU 111 Cb -0.15 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1kgl s GLU 111 CO 0.02 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.54 1kgl n GLY 112 N 3.66 1.79 0.94 -1.39 0.00 -1.26 -1.61 105.19 107.32 1kgl n GLY 112 Ca 0.07 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1kgl n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kgl n ASP 113 N 10.34 2.73 -4.45 1.61 5.75 -1.26 -4.97 116.55 126.30 1kgl n ASP 113 Ca 0.00 -1.96 -0.35 0.00 -0.01 0.00 0.00 54.79 52.46 1kgl n ASP 113 Cb 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 1kgl n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1kgl s GLU 114 N -1.38 3.64 -0.26 0.11 2.02 -0.63 -1.00 118.70 121.19 1kgl s GLU 114 Ca 0.35 -0.50 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 1kgl s GLU 114 Cb 0.19 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.29 1kgl s GLU 114 CO 0.25 -0.02 1.00 -1.17 0.02 0.00 0.00 175.26 175.33 1kgl s LEU 115 N 1.11 4.05 -0.27 1.80 2.96 0.14 -0.24 118.68 128.22 1kgl s LEU 115 Ca 0.03 1.17 -0.07 0.00 -0.22 0.00 0.00 54.13 55.04 1kgl s LEU 115 Cb -0.14 -3.45 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1kgl s LEU 115 CO 0.02 -0.70 0.08 -1.00 -1.32 0.00 0.00 176.35 173.43 1kgl s HIS 116 N 3.25 3.11 -0.13 5.38 3.76 0.29 -0.89 115.29 130.06 1kgl s HIS 116 Ca 0.42 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1kgl s HIS 116 Cb -0.14 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 1kgl s HIS 116 CO 0.09 -0.47 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.19 1kgl s LEU 117 N 1.56 2.60 -0.20 0.89 2.96 -0.31 -1.17 118.68 125.00 1kgl s LEU 117 Ca 0.05 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1kgl s LEU 117 Cb -0.16 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1kgl s LEU 117 CO 0.03 0.15 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.49 1kgl s GLU 118 N 0.46 3.24 -0.12 1.98 2.02 -0.05 -0.58 118.70 125.65 1kgl s GLU 118 Ca -0.10 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1kgl s GLU 118 Cb -0.16 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 1kgl s GLU 118 CO 0.05 -0.18 -0.06 -1.64 0.02 0.00 0.00 175.26 173.45 1kgl s MET 119 N 1.35 3.31 -0.01 1.61 -1.94 0.32 -0.60 119.30 123.34 1kgl s MET 119 Ca 0.05 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 1kgl s MET 119 Cb -0.14 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 1kgl s MET 119 CO -0.06 0.39 -0.18 1.03 -0.01 0.00 0.00 175.02 176.19 1kgl s ARG 120 N -0.07 2.27 -0.17 2.03 0.52 0.42 -0.58 118.95 123.38 1kgl s ARG 120 Ca 0.01 -0.84 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 1kgl s ARG 120 Cb -0.13 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.18 1kgl s ARG 120 CO 0.03 0.58 0.31 0.00 0.02 0.00 0.00 175.30 176.24 1kgl s ALA 121 N -0.76 -0.75 -1.40 2.13 0.00 -0.69 -2.30 121.76 117.98 1kgl s ALA 121 Ca 0.12 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1kgl s ALA 121 Cb -0.10 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.86 1kgl s ALA 121 CO 0.02 -0.79 0.93 0.39 0.00 0.00 0.00 175.76 176.31 1kgl n GLU 122 N 5.36 -5.85 0.00 0.00 -0.58 -1.08 -1.44 120.64 117.06 1kgl n GLU 122 Ca -0.06 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1kgl n GLU 122 Cb 0.50 -5.49 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1kgl n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kgl n GLY 123 N -1.66 2.16 3.65 0.62 0.00 -1.23 -5.02 105.19 103.71 1kgl n GLY 123 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1kgl n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgl s VAL 124 N -1.35 5.04 -0.20 1.61 1.01 -0.52 -5.05 120.40 120.93 1kgl s VAL 124 Ca 0.00 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 1kgl s VAL 124 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1kgl s VAL 124 CO 0.00 0.11 0.38 -0.89 0.00 0.00 0.00 175.10 174.70 1kgl s THR 125 N 1.98 5.21 -0.20 3.92 2.01 -1.26 -1.71 115.64 125.59 1kgl s THR 125 Ca 0.27 0.67 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 1kgl s THR 125 Cb -0.16 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1kgl s THR 125 CO 0.10 0.27 0.24 0.00 -0.69 0.00 0.00 174.62 174.54 1kgl s LYS 127 N 0.81 3.75 -0.02 0.00 2.20 -0.23 -0.52 119.74 125.73 1kgl s LYS 127 Ca 0.12 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 1kgl s LYS 127 Cb -0.13 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1kgl s LYS 127 CO 0.04 0.22 -0.15 -0.65 -0.36 0.00 0.00 175.35 174.45 1kgl s GLN 128 N 0.44 1.41 -0.10 4.03 -0.21 0.26 -0.69 119.66 124.79 1kgl s GLN 128 Ca -0.02 -0.55 0.03 0.00 0.02 0.00 0.00 55.36 54.85 1kgl s GLN 128 Cb -0.14 -1.30 -0.01 0.00 1.00 0.00 0.00 33.01 32.56 1kgl s GLN 128 CO 0.02 0.28 -0.20 0.08 -2.12 0.00 0.00 175.29 173.35 1kgl s VAL 129 N -0.16 2.44 -0.05 1.09 1.01 -0.88 -1.17 120.40 122.68 1kgl s VAL 129 Ca 0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1kgl s VAL 129 Cb -0.08 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1kgl s VAL 129 CO 0.00 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.21 1kgl s PHE 130 N 0.20 1.14 -0.18 5.22 0.40 -0.07 -0.19 117.98 124.50 1kgl s PHE 130 Ca -0.12 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 1kgl s PHE 130 Cb -0.16 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1kgl s PHE 130 CO 0.07 -0.23 0.11 0.21 0.70 0.00 0.00 175.22 176.08 1kgl s LYS 131 N 0.72 4.01 -0.00 0.44 2.20 0.65 0.24 119.74 128.00 1kgl s LYS 131 Ca -0.13 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 1kgl s LYS 131 Cb -0.15 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1kgl s LYS 131 CO 0.02 0.35 1.69 0.21 -0.36 0.00 0.00 175.35 177.27 1kgl s LYS 132 N 0.18 4.18 -0.06 4.03 2.20 -0.17 -0.97 119.74 129.14 1kgl s LYS 132 Ca 0.07 2.29 0.01 0.00 -0.36 0.00 0.00 55.97 57.99 1kgl s LYS 132 Cb -0.12 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1kgl s LYS 132 CO -0.01 -0.82 -0.04 1.33 -0.36 0.00 0.00 175.35 175.45 1kgl n VAL 133 N 5.23 0.34 -1.50 4.02 0.24 -0.16 -4.97 118.33 121.53 1kgl n VAL 133 Ca 0.17 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1kgl n VAL 133 Cb 0.42 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1kgl n VAL 133 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26