#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmk h TRP 3 N 0.00 0.71 -0.69 2.11 -0.00 -1.89 0.00 115.95 116.19 2gmk h TRP 3 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2gmk h TRP 3 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 2gmk h TRP 3 CO 0.00 0.53 0.34 -0.07 -0.00 0.00 0.00 178.44 179.24 2gmk h LEU 4 N 0.68 0.90 -0.44 0.65 4.07 -1.99 -1.36 115.31 117.82 2gmk h LEU 4 Ca 0.18 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 57.86 2gmk h LEU 4 Cb 0.06 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 2gmk h LEU 4 CO -0.03 0.77 -0.41 0.74 -1.08 0.00 0.00 178.44 178.44 2gmk h THR 5 N 0.96 1.28 -0.45 0.22 2.02 -1.92 -2.52 112.91 112.50 2gmk h THR 5 Ca 0.24 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 65.89 2gmk h THR 5 Cb 0.11 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2gmk h THR 5 CO -0.03 0.52 0.14 0.15 0.37 0.00 0.00 175.52 176.67 2gmk h PHE 6 N 0.69 0.25 -0.44 3.16 3.04 -0.72 -0.09 116.94 122.83 2gmk h PHE 6 Ca 0.05 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.05 2gmk h PHE 6 Cb 0.99 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.42 2gmk h PHE 6 CO 0.06 0.08 0.26 1.96 -2.02 0.00 0.00 178.31 178.64 2gmk h GLN 7 N 0.30 0.50 -0.73 1.11 4.20 -1.16 0.26 115.11 119.59 2gmk h GLN 7 Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2gmk h GLN 7 Cb 0.23 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2gmk h GLN 7 CO -0.23 0.33 0.37 0.87 -0.67 0.00 0.00 178.83 179.50 2gmk h LYS 8 N 0.52 1.03 0.00 1.46 1.57 -1.05 -1.70 116.57 118.39 2gmk h LYS 8 Ca 0.17 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2gmk h LYS 8 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2gmk h LYS 8 CO -0.08 0.78 -0.87 0.87 -0.57 0.00 0.00 179.45 179.57 2gmk h LYS 9 N 1.03 0.00 0.00 3.15 1.57 -0.56 -3.42 116.57 118.34 2gmk h LYS 9 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2gmk h LYS 9 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2gmk h LYS 9 CO -0.04 0.43 0.00 0.72 -0.57 0.00 0.00 179.45 180.00 2gmk n HIS 10 N -3.09 0.00 -4.75 -1.35 8.25 0.88 -4.75 115.22 110.40 2gmk n HIS 10 Ca -0.02 -0.05 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 2gmk n HIS 10 Cb 0.78 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.72 2gmk n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gmk s ILE 11 N -0.11 1.91 0.01 1.59 1.01 -0.65 -0.11 121.20 124.85 2gmk s ILE 11 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2gmk s ILE 11 Cb 0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2gmk s ILE 11 CO 0.00 0.52 -0.19 0.28 0.00 0.00 0.00 174.94 175.55 2gmk s THR 12 N 0.73 2.70 -2.48 2.92 -1.32 -0.06 -4.79 115.64 113.35 2gmk s THR 12 Ca -0.10 -1.09 0.26 0.00 -1.21 0.00 0.00 61.69 59.55 2gmk s THR 12 Cb -0.16 -2.09 0.49 0.00 -1.51 0.00 0.00 72.50 69.23 2gmk s THR 12 CO 0.01 0.43 1.64 -0.46 -2.21 0.00 0.00 174.62 174.03 2gmk n ASN 13 N 1.86 1.73 -4.02 8.08 0.23 -1.26 -3.17 115.26 118.71 2gmk n ASN 13 Ca -0.16 -1.61 -0.18 0.00 -0.53 0.00 0.00 54.58 52.09 2gmk n ASN 13 Cb 0.52 -0.04 -0.15 0.00 -2.08 0.00 0.00 39.78 38.04 2gmk n ASN 13 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2gmk s THR 14 N -1.93 0.70 0.35 5.53 -1.32 -1.26 -5.01 115.64 112.71 2gmk s THR 14 Ca 0.36 -0.38 0.15 0.00 -1.21 0.00 0.00 61.69 60.61 2gmk s THR 14 Cb 0.20 -0.59 0.12 0.00 -1.51 0.00 0.00 72.50 70.73 2gmk s THR 14 CO 0.31 0.20 1.85 0.08 -2.21 0.00 0.00 174.62 174.85 2gmk h ARG 15 N 5.93 0.00 -3.42 7.08 0.11 -1.96 -3.33 114.38 118.79 2gmk h ARG 15 Ca -0.31 0.00 -0.77 0.00 0.10 0.00 0.00 59.98 59.01 2gmk h ARG 15 Cb 1.18 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.08 2gmk h ARG 15 CO 0.50 0.34 1.71 -0.25 0.10 0.00 0.00 179.97 182.36 2gmk n ASP 16 N -3.98 5.40 -4.74 0.08 8.00 -1.26 -4.80 116.55 115.25 2gmk n ASP 16 Ca -0.02 -3.17 -0.42 0.00 0.71 0.00 0.00 54.79 51.89 2gmk n ASP 16 Cb 0.39 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.04 2gmk n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gmk s VAL 17 N -0.30 2.69 -1.25 2.53 1.01 -1.25 -4.90 120.40 118.92 2gmk s VAL 17 Ca 0.38 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 2gmk s VAL 17 Cb 0.08 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.22 2gmk s VAL 17 CO 0.03 0.08 1.59 -0.62 0.00 0.00 0.00 175.10 176.17 2gmk s ASP 18 N 0.57 6.94 0.21 3.32 -1.08 -1.26 -4.85 116.67 120.52 2gmk s ASP 18 Ca 0.62 -2.68 -0.09 0.00 -0.52 0.00 0.00 52.55 49.88 2gmk s ASP 18 Cb -0.42 -2.50 0.27 0.00 -1.46 0.00 0.00 42.92 38.81 2gmk s ASP 18 CO 0.40 -0.98 1.78 0.00 0.52 0.00 0.00 175.17 176.88 2gmk h ASP 20 N 0.55 0.02 0.13 0.00 3.32 -1.89 0.45 116.42 119.00 2gmk h ASP 20 Ca 0.31 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2gmk h ASP 20 Cb 0.30 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2gmk h ASP 20 CO -0.25 0.21 -0.06 -1.13 -1.72 0.00 0.00 179.24 176.30 2gmk h ASN 21 N 0.02 -0.15 -0.81 6.45 -0.73 -1.73 -3.35 115.58 115.28 2gmk h ASN 21 Ca 0.00 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 2gmk h ASN 21 Cb 0.35 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.94 2gmk h ASN 21 CO 0.03 0.11 0.44 -0.29 -0.37 0.00 0.00 177.43 177.35 2gmk h ILE 22 N -0.60 1.24 0.00 2.57 2.10 -1.07 -1.94 117.51 119.81 2gmk h ILE 22 Ca -0.02 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 65.31 2gmk h ILE 22 Cb 0.13 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 2gmk h ILE 22 CO 0.03 0.27 0.00 0.24 -1.08 0.00 0.00 178.15 177.61 2gmk h MET 23 N 1.15 0.00 -0.00 2.19 2.86 -1.11 -1.95 114.93 118.07 2gmk h MET 23 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2gmk h MET 23 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2gmk h MET 23 CO -0.05 0.00 -0.39 -1.13 1.06 0.00 0.00 176.91 176.40 2gmk n SER 24 N -2.35 0.53 -4.80 1.22 3.41 -0.73 -0.38 113.62 110.51 2gmk n SER 24 Ca 0.01 -0.29 -0.31 0.00 -0.26 0.00 0.00 58.87 58.03 2gmk n SER 24 Cb 0.21 0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.38 2gmk n SER 24 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gmk s THR 25 N -2.89 3.53 0.52 6.66 -4.23 -0.73 -4.57 115.64 113.92 2gmk s THR 25 Ca 0.14 0.50 0.38 0.00 -1.18 0.00 0.00 61.69 61.53 2gmk s THR 25 Cb 0.18 -3.21 0.40 0.00 1.34 0.00 0.00 72.50 71.21 2gmk s THR 25 CO 0.64 -0.65 2.24 -0.55 -0.54 0.00 0.00 174.62 175.76 2gmk h ASN 26 N -0.94 0.00 0.36 3.99 -1.07 -1.91 0.32 115.58 116.34 2gmk h ASN 26 Ca -0.45 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.82 2gmk h ASN 26 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 2gmk h ASN 26 CO 0.57 0.02 -0.42 0.25 0.07 0.00 0.00 177.43 177.93 2gmk h LEU 27 N 0.00 0.08 0.00 6.14 5.85 -1.92 -3.30 115.31 122.16 2gmk h LEU 27 Ca -0.00 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2gmk h LEU 27 Cb 0.14 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2gmk h LEU 27 CO 0.00 0.49 -1.71 0.49 -0.34 0.00 0.00 178.44 177.37 2gmk n PHE 28 N -4.04 0.00 -4.31 1.25 3.72 -0.57 -5.03 117.46 108.48 2gmk n PHE 28 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 2gmk n PHE 28 Cb 0.46 -0.47 -0.08 0.00 -0.94 0.00 0.00 39.48 38.45 2gmk n PHE 28 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2gmk n HIS 29 N -2.26 -1.35 -2.16 1.38 1.44 0.10 -1.42 115.22 110.95 2gmk n HIS 29 Ca -0.13 0.67 -0.17 0.00 -2.01 0.00 0.00 57.72 56.07 2gmk n HIS 29 Cb 0.70 -2.75 -0.02 0.00 0.12 0.00 0.00 29.99 28.04 2gmk n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gmk s LYS 31 N -4.58 1.36 0.27 0.00 -2.85 -0.51 -4.71 119.74 108.72 2gmk s LYS 31 Ca 0.00 0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 55.94 2gmk s LYS 31 Cb 0.00 -1.81 0.36 0.00 -2.06 0.00 0.00 37.83 34.32 2gmk s LYS 31 CO 0.00 -2.22 1.80 -0.44 0.10 0.00 0.00 175.35 174.59 2gmk h ASP 32 N -1.54 0.79 -5.02 0.03 5.19 -1.94 -3.46 116.42 110.47 2gmk h ASP 32 Ca -0.48 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 55.71 2gmk h ASP 32 Cb 1.27 -0.21 -0.16 0.00 0.18 0.00 0.00 39.33 40.41 2gmk h ASP 32 CO 0.52 0.80 0.00 -1.59 -3.12 0.00 0.00 179.24 175.85 2gmk s LYS 33 N -5.15 1.00 -0.18 3.56 -2.85 -1.26 -0.58 119.74 114.27 2gmk s LYS 33 Ca -0.10 -0.24 -0.18 0.00 -1.00 0.00 0.00 55.97 54.45 2gmk s LYS 33 Cb 0.15 0.45 0.05 0.00 -2.06 0.00 0.00 37.83 36.42 2gmk s LYS 33 CO 0.81 -0.35 0.51 1.21 0.10 0.00 0.00 175.35 177.62 2gmk s ASN 34 N -1.92 -0.52 -0.21 0.03 2.47 -0.85 -5.02 114.94 108.92 2gmk s ASN 34 Ca -0.06 0.99 -0.07 0.00 0.42 0.00 0.00 52.86 54.14 2gmk s ASN 34 Cb -0.01 1.00 -0.03 0.00 -1.45 0.00 0.00 41.25 40.76 2gmk s ASN 34 CO -0.01 -0.19 0.05 -0.89 -3.72 0.00 0.00 177.10 172.33 2gmk s THR 35 N 0.19 4.40 0.00 -5.21 2.01 -1.26 -1.32 115.64 114.45 2gmk s THR 35 Ca -0.01 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2gmk s THR 35 Cb -0.03 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2gmk s THR 35 CO 0.01 0.41 0.02 -0.36 -0.69 0.00 0.00 174.62 174.01 2gmk s PHE 36 N 0.91 3.12 -0.26 4.92 0.40 0.29 -4.62 117.98 122.73 2gmk s PHE 36 Ca 0.03 0.10 -0.10 0.00 -0.60 0.00 0.00 56.93 56.36 2gmk s PHE 36 Cb -0.14 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2gmk s PHE 36 CO 0.02 0.48 0.15 0.42 0.70 0.00 0.00 175.22 177.00 2gmk s ILE 37 N -1.13 5.04 -0.88 0.64 1.01 0.84 -0.47 121.20 126.25 2gmk s ILE 37 Ca 0.21 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 2gmk s ILE 37 Cb -0.12 -3.38 0.10 0.00 0.01 0.00 0.00 42.46 39.08 2gmk s ILE 37 CO 0.12 0.29 1.14 -0.47 0.00 0.00 0.00 174.94 176.02 2gmk s TYR 38 N 1.57 2.92 0.00 3.97 5.04 0.42 -0.88 117.35 130.40 2gmk s TYR 38 Ca 0.07 -1.10 -0.28 0.00 -2.44 0.00 0.00 57.07 53.31 2gmk s TYR 38 Cb -0.15 -4.35 0.10 0.00 0.35 0.00 0.00 41.96 37.90 2gmk s TYR 38 CO 0.08 -1.60 0.82 0.45 -1.34 0.00 0.00 175.55 173.96 2gmk s SER 39 N 3.84 -0.44 0.58 4.32 0.15 -1.19 -4.40 113.70 116.57 2gmk s SER 39 Ca 0.32 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.93 2gmk s SER 39 Cb -0.07 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2gmk s SER 39 CO -0.05 -0.65 1.16 -0.13 1.20 0.00 0.00 173.24 174.78 2gmk s ARG 40 N -2.73 3.08 0.47 5.44 0.52 -1.26 -4.54 118.95 119.94 2gmk s ARG 40 Ca 0.01 1.69 0.20 0.00 -0.52 0.00 0.00 55.73 57.11 2gmk s ARG 40 Cb -0.01 -1.96 1.17 0.00 0.52 0.00 0.00 34.95 34.68 2gmk s ARG 40 CO -0.06 -1.08 2.02 -1.00 0.02 0.00 0.00 175.30 175.19 2gmk h PRO 41 N 0.88 0.00 0.13 3.54 0.13 -1.97 -3.34 132.00 131.37 2gmk h PRO 41 Ca -0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2gmk h PRO 41 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2gmk h PRO 41 CO 0.55 0.17 -0.42 0.93 -0.23 0.00 0.00 178.00 179.00 2gmk h GLU 42 N 0.00 -0.64 0.00 0.86 3.07 -2.00 0.72 114.58 116.59 2gmk h GLU 42 Ca -0.00 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2gmk h GLU 42 Cb 0.35 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2gmk h GLU 42 CO 0.02 -0.43 -0.03 -1.00 -1.40 0.00 0.00 179.01 176.17 2gmk h PRO 43 N -0.66 0.00 -0.05 2.33 0.13 -1.99 -2.29 132.00 129.46 2gmk h PRO 43 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 2gmk h PRO 43 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2gmk h PRO 43 CO -0.24 0.03 -0.29 0.28 -0.23 0.00 0.00 178.00 177.55 2gmk h VAL 44 N 0.00 1.45 -0.74 1.56 2.07 -1.47 -3.22 116.25 115.90 2gmk h VAL 44 Ca -0.00 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.82 2gmk h VAL 44 Cb 0.37 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 2gmk h VAL 44 CO 0.00 0.50 0.49 0.50 0.02 0.00 0.00 177.57 179.08 2gmk h LYS 45 N -0.24 0.81 0.00 1.57 3.64 -0.57 -2.42 116.57 119.35 2gmk h LYS 45 Ca -0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2gmk h LYS 45 Cb 0.96 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2gmk h LYS 45 CO 0.06 0.53 -0.02 0.00 -2.27 0.00 0.00 179.45 177.75 2gmk h ALA 46 N 1.59 1.37 -0.98 5.00 0.00 -1.43 -1.76 119.26 123.05 2gmk h ALA 46 Ca 0.31 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.43 2gmk h ALA 46 Cb 0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2gmk h ALA 46 CO -0.10 0.03 0.63 0.82 0.00 0.00 0.00 179.25 180.63 2gmk h ILE 47 N 0.00 0.62 -0.47 0.00 2.04 -1.50 -2.33 117.51 115.86 2gmk h ILE 47 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2gmk h ILE 47 Cb 0.08 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2gmk h ILE 47 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2gmk n LYS 49 N 1.19 1.42 -0.28 0.00 4.81 -0.88 -1.64 118.16 122.78 2gmk n LYS 49 Ca 0.18 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2gmk n LYS 49 Cb 0.53 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.47 2gmk n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gmk n GLY 50 N 2.41 2.25 3.59 3.14 0.00 -1.26 -4.97 105.19 110.35 2gmk n GLY 50 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2gmk n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gmk s ILE 51 N -3.12 4.71 0.00 -0.61 1.01 -0.65 -4.93 121.20 117.60 2gmk s ILE 51 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2gmk s ILE 51 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2gmk s ILE 51 CO 0.00 -0.43 0.00 -0.38 0.00 0.00 0.00 174.94 174.13 2gmk n ILE 52 N 5.79 0.00 -2.04 2.92 2.08 -1.26 0.09 119.36 126.94 2gmk n ILE 52 Ca 0.04 0.41 -0.37 0.00 0.56 0.00 0.00 62.75 63.39 2gmk n ILE 52 Cb 0.48 -1.37 0.02 0.00 -0.75 0.00 0.00 39.64 38.02 2gmk n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2gmk s ALA 53 N -3.32 2.86 0.11 -1.39 0.00 -1.26 -0.49 121.76 118.27 2gmk s ALA 53 Ca 0.00 1.10 -0.35 0.00 0.00 0.00 0.00 51.96 52.72 2gmk s ALA 53 Cb 0.00 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 2gmk s ALA 53 CO 0.00 -1.00 1.54 0.45 0.00 0.00 0.00 175.76 176.74 2gmk n SER 54 N -0.83 2.71 -3.69 0.00 2.88 -1.25 -4.70 113.62 108.73 2gmk n SER 54 Ca 0.09 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.61 2gmk n SER 54 Cb 0.47 -1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 2gmk n SER 54 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2gmk s LYS 55 N 1.07 0.54 0.11 -1.46 2.20 -0.30 -4.98 119.74 116.93 2gmk s LYS 55 Ca 0.82 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 2gmk s LYS 55 Cb -0.76 0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 35.64 2gmk s LYS 55 CO 0.42 -0.12 1.18 -0.80 -0.36 0.00 0.00 175.35 175.67 2gmk s ASN 56 N 0.92 7.12 -0.07 1.43 0.01 -1.26 -0.50 114.94 122.59 2gmk s ASN 56 Ca -0.05 2.07 0.02 0.00 -0.71 0.00 0.00 52.86 54.19 2gmk s ASN 56 Cb -0.06 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2gmk s ASN 56 CO -0.08 -0.40 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.31 2gmk s VAL 57 N 0.57 1.13 -0.07 1.60 1.01 0.29 -4.93 120.40 119.99 2gmk s VAL 57 Ca 0.56 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2gmk s VAL 57 Cb -0.30 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2gmk s VAL 57 CO 0.32 0.35 0.54 -0.22 0.00 0.00 0.00 175.10 176.09 2gmk s LEU 58 N 0.72 4.33 0.74 3.92 2.96 -1.26 -1.43 118.68 128.66 2gmk s LEU 58 Ca -0.14 0.97 -0.15 0.00 -0.22 0.00 0.00 54.13 54.59 2gmk s LEU 58 Cb -0.16 -2.80 0.04 0.00 0.50 0.00 0.00 46.19 43.77 2gmk s LEU 58 CO 0.03 0.03 1.25 0.35 -1.32 0.00 0.00 176.35 176.68 2gmk n THR 59 N 3.34 3.32 0.35 3.68 -2.24 0.28 -4.90 114.28 118.10 2gmk n THR 59 Ca -0.07 -0.33 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2gmk n THR 59 Cb 0.51 -1.33 0.21 0.00 -2.10 0.00 0.00 70.33 67.63 2gmk n THR 59 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2gmk h THR 60 N -0.28 0.00 -3.69 4.28 1.35 -1.97 -3.44 112.91 109.15 2gmk h THR 60 Ca -0.48 -0.82 -0.25 0.00 -0.55 0.00 0.00 66.41 64.31 2gmk h THR 60 Cb 1.32 1.72 -0.06 0.00 -1.73 0.00 0.00 68.15 69.40 2gmk h THR 60 CO 0.49 0.00 -0.17 -1.54 -0.25 0.00 0.00 175.52 174.05 2gmk n SER 61 N -2.74 -0.94 -4.88 5.36 3.41 -1.26 -5.11 113.62 107.46 2gmk n SER 61 Ca 0.04 -2.51 -0.32 0.00 -0.26 0.00 0.00 58.87 55.82 2gmk n SER 61 Cb 0.50 1.81 -0.05 0.00 -0.26 0.00 0.00 64.21 66.21 2gmk n SER 61 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2gmk s GLU 62 N -2.71 3.77 0.26 4.33 8.01 -1.26 -4.38 118.70 126.72 2gmk s GLU 62 Ca 0.24 0.23 0.06 0.00 0.01 0.00 0.00 54.97 55.51 2gmk s GLU 62 Cb -0.00 -2.66 -0.06 0.00 -4.31 0.00 0.00 34.13 27.11 2gmk s GLU 62 CO 0.17 0.31 -0.06 -0.06 0.01 0.00 0.00 175.26 175.64 2gmk s PHE 63 N -1.84 1.86 -0.08 1.61 0.40 -0.25 -4.89 117.98 114.79 2gmk s PHE 63 Ca 0.47 -0.73 -0.28 0.00 -0.60 0.00 0.00 56.93 55.79 2gmk s PHE 63 Cb -0.11 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 2gmk s PHE 63 CO 0.22 0.23 0.94 -0.47 0.70 0.00 0.00 175.22 176.84 2gmk s TYR 64 N -3.08 3.55 -0.02 0.36 6.14 -1.26 -1.54 117.35 121.49 2gmk s TYR 64 Ca 0.28 1.54 0.07 0.00 0.64 0.00 0.00 57.07 59.60 2gmk s TYR 64 Cb 0.04 -3.10 -0.02 0.00 0.42 0.00 0.00 41.96 39.30 2gmk s TYR 64 CO 0.11 -0.13 -0.24 -0.51 0.64 0.00 0.00 175.55 175.42 2gmk s LEU 65 N 1.60 2.04 -0.22 6.97 1.43 0.82 -0.43 118.68 130.89 2gmk s LEU 65 Ca 0.47 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2gmk s LEU 65 Cb -0.19 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.85 2gmk s LEU 65 CO 0.20 0.28 -0.10 -0.44 0.23 0.00 0.00 176.35 176.52 2gmk s SER 66 N -0.48 3.67 -0.15 2.29 0.01 0.38 -0.98 113.70 118.45 2gmk s SER 66 Ca 0.07 -1.03 -0.07 0.00 1.31 0.00 0.00 55.95 56.23 2gmk s SER 66 Cb -0.10 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 2gmk s SER 66 CO -0.00 -0.17 0.09 -1.81 0.41 0.00 0.00 173.24 171.77 2gmk s ASP 67 N 1.34 5.96 -0.31 2.44 1.01 0.59 -0.55 116.67 127.15 2gmk s ASP 67 Ca -0.03 0.27 -0.10 0.00 0.71 0.00 0.00 52.55 53.40 2gmk s ASP 67 Cb -0.17 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 2gmk s ASP 67 CO -0.07 0.30 0.15 0.00 0.21 0.00 0.00 175.17 175.76 2gmk s ASN 69 N 1.61 3.80 0.37 0.00 0.01 -0.55 -2.01 114.94 118.17 2gmk s ASN 69 Ca 0.04 -0.46 -0.26 0.00 -0.71 0.00 0.00 52.86 51.47 2gmk s ASN 69 Cb -0.17 -1.61 -0.09 0.00 0.41 0.00 0.00 41.25 39.79 2gmk s ASN 69 CO 0.06 0.05 1.20 0.54 -1.51 0.00 0.00 177.10 177.44 2gmk s VAL 70 N 1.02 3.07 0.59 1.60 0.11 0.25 -0.97 120.40 126.07 2gmk s VAL 70 Ca -0.01 0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 59.94 2gmk s VAL 70 Cb -0.15 -3.56 0.13 0.00 -1.53 0.00 0.00 36.38 31.27 2gmk s VAL 70 CO -0.02 0.14 0.80 0.35 -3.33 0.00 0.00 175.10 173.03 2gmk n THR 71 N 0.35 0.00 1.34 5.04 -2.24 0.24 -4.86 114.28 114.14 2gmk n THR 71 Ca 0.03 -0.89 0.13 0.00 -2.27 0.00 0.00 64.05 61.05 2gmk n THR 71 Cb 0.45 -1.34 0.68 0.00 -2.10 0.00 0.00 70.33 68.02 2gmk n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2gmk n SER 72 N -3.25 0.00 -4.67 3.42 3.41 -1.26 -4.64 113.62 106.62 2gmk n SER 72 Ca 0.11 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 2gmk n SER 72 Cb 0.40 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2gmk n SER 72 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2gmk s ARG 73 N -2.39 4.28 -0.27 4.33 3.52 -1.26 -4.99 118.95 122.16 2gmk s ARG 73 Ca 0.29 0.84 -0.41 0.00 -0.13 0.00 0.00 55.73 56.32 2gmk s ARG 73 Cb 0.17 -3.56 -0.17 0.00 -1.56 0.00 0.00 34.95 29.83 2gmk s ARG 73 CO 0.36 -0.25 1.64 -2.30 -0.81 0.00 0.00 175.30 173.93 2gmk n PRO 74 N 5.02 0.85 -2.28 5.12 -0.02 -1.26 -2.08 135.00 140.34 2gmk n PRO 74 Ca 0.02 0.31 -0.19 0.00 -2.02 0.00 0.00 63.50 61.61 2gmk n PRO 74 Cb 0.49 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 2gmk n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gmk s LYS 76 N -4.82 2.50 0.35 0.00 -0.14 -0.89 -4.86 119.74 111.89 2gmk s LYS 76 Ca 0.00 -0.70 0.09 0.00 -1.36 0.00 0.00 55.97 54.00 2gmk s LYS 76 Cb 0.00 -1.94 -0.06 0.00 -1.68 0.00 0.00 37.83 34.14 2gmk s LYS 76 CO 0.00 0.13 -0.08 0.71 -0.76 0.00 0.00 175.35 175.35 2gmk s TYR 77 N 0.44 2.42 -0.01 3.18 1.51 -1.26 -0.59 117.35 123.04 2gmk s TYR 77 Ca -0.17 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.47 2gmk s TYR 77 Cb -0.17 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2gmk s TYR 77 CO 0.07 0.57 -0.25 0.15 -1.11 0.00 0.00 175.55 174.98 2gmk s LYS 78 N -3.62 2.09 -0.03 -0.62 -0.14 -0.14 -4.85 119.74 112.43 2gmk s LYS 78 Ca 0.33 -0.94 -0.17 0.00 -1.36 0.00 0.00 55.97 53.82 2gmk s LYS 78 Cb 0.03 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.05 2gmk s LYS 78 CO 0.17 0.56 0.48 -1.17 -0.76 0.00 0.00 175.35 174.62 2gmk s LEU 79 N -0.78 4.41 -0.09 3.17 2.96 -1.26 -1.48 118.68 125.61 2gmk s LEU 79 Ca 0.11 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 2gmk s LEU 79 Cb -0.10 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2gmk s LEU 79 CO -0.00 0.19 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.35 2gmk s LYS 80 N -0.43 1.78 -0.12 1.98 2.47 -0.03 -4.97 119.74 120.42 2gmk s LYS 80 Ca 0.26 -0.41 -0.03 0.00 -1.56 0.00 0.00 55.97 54.23 2gmk s LYS 80 Cb -0.17 -1.57 -0.03 0.00 -1.46 0.00 0.00 37.83 34.59 2gmk s LYS 80 CO 0.14 -0.07 -0.00 0.15 0.16 0.00 0.00 175.35 175.72 2gmk s LYS 81 N 1.02 3.33 0.34 4.03 1.02 -1.26 -0.30 119.74 127.92 2gmk s LYS 81 Ca -0.07 -0.43 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 2gmk s LYS 81 Cb -0.15 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2gmk s LYS 81 CO -0.01 0.50 0.67 -1.54 -0.92 0.00 0.00 175.35 174.05 2gmk s SER 82 N -0.33 0.18 0.07 2.83 1.04 -0.16 -5.01 113.70 112.33 2gmk s SER 82 Ca 0.07 -1.13 0.09 0.00 0.48 0.00 0.00 55.95 55.46 2gmk s SER 82 Cb -0.12 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2gmk s SER 82 CO 0.02 -1.48 -0.24 0.42 0.98 0.00 0.00 173.24 172.94 2gmk s THR 83 N -2.93 1.93 -0.03 2.02 -4.23 -1.26 -0.13 115.64 111.01 2gmk s THR 83 Ca 0.19 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 2gmk s THR 83 Cb -0.04 -1.69 0.11 0.00 1.34 0.00 0.00 72.50 72.23 2gmk s THR 83 CO 0.13 0.19 1.11 0.21 -0.54 0.00 0.00 174.62 175.72 2gmk s ASN 84 N -1.47 -0.18 0.71 3.99 3.84 -0.59 -4.94 114.94 116.31 2gmk s ASN 84 Ca 0.10 -0.12 -0.12 0.00 0.21 0.00 0.00 52.86 52.93 2gmk s ASN 84 Cb -0.10 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 40.90 2gmk s ASN 84 CO 0.03 -0.48 1.09 -0.54 -2.79 0.00 0.00 177.10 174.41 2gmk s LYS 85 N -2.76 2.64 0.16 0.43 1.02 -1.26 -1.09 119.74 118.87 2gmk s LYS 85 Ca 0.10 1.20 -0.07 0.00 0.02 0.00 0.00 55.97 57.22 2gmk s LYS 85 Cb 0.00 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2gmk s LYS 85 CO -0.04 -1.35 0.22 -0.59 -0.92 0.00 0.00 175.35 172.67 2gmk s PHE 86 N -2.72 0.53 -0.07 3.18 -0.12 -1.26 -0.29 117.98 117.22 2gmk s PHE 86 Ca 0.62 -0.89 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 2gmk s PHE 86 Cb -0.17 -0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 2gmk s PHE 86 CO 0.50 -0.67 -0.20 0.00 -0.05 0.00 0.00 175.22 174.80 2gmk s VAL 88 N -0.15 1.33 -0.23 0.00 -7.23 -0.51 -0.86 120.40 112.74 2gmk s VAL 88 Ca -0.03 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 2gmk s VAL 88 Cb -0.14 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2gmk s VAL 88 CO 0.04 -0.67 0.71 0.21 -0.31 0.00 0.00 175.10 175.08 2gmk s ASN 89 N -3.11 6.72 -0.14 4.85 3.04 -0.20 -0.55 114.94 125.54 2gmk s ASN 89 Ca 0.17 0.88 -0.13 0.00 0.04 0.00 0.00 52.86 53.83 2gmk s ASN 89 Cb 0.01 -2.38 -0.05 0.00 -1.54 0.00 0.00 41.25 37.29 2gmk s ASN 89 CO 0.02 -0.40 0.27 0.00 -3.04 0.00 0.00 177.10 173.95 2gmk s ALA 91 N 0.08 -0.89 -1.56 0.00 0.00 -0.59 -1.15 121.76 117.64 2gmk s ALA 91 Ca 0.16 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 2gmk s ALA 91 Cb -0.13 -0.71 0.09 0.00 0.00 0.00 0.00 23.12 22.37 2gmk s ALA 91 CO 0.04 -0.21 0.73 0.09 0.00 0.00 0.00 175.76 176.42 2gmk n ASN 92 N 3.54 -2.74 -1.06 0.00 5.03 0.35 -2.00 115.26 118.38 2gmk n ASN 92 Ca -0.18 -0.94 -0.12 0.00 0.87 0.00 0.00 54.58 54.20 2gmk n ASN 92 Cb 0.56 -3.20 -0.04 0.00 -1.02 0.00 0.00 39.78 36.07 2gmk n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2gmk n GLN 93 N -4.46 -0.90 -3.87 3.52 6.02 0.11 -5.00 117.38 112.81 2gmk n GLN 93 Ca -0.06 0.86 -0.11 0.00 -0.01 0.00 0.00 57.00 57.68 2gmk n GLN 93 Cb 0.56 -4.93 -0.10 0.00 1.02 0.00 0.00 30.24 26.80 2gmk n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gmk s ALA 94 N -2.50 -0.33 0.19 -1.58 0.00 -0.85 -4.30 121.76 112.39 2gmk s ALA 94 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 2gmk s ALA 94 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 2gmk s ALA 94 CO 0.00 -0.20 1.50 -2.14 0.00 0.00 0.00 175.76 174.92 2gmk s PRO 95 N -1.26 4.25 0.00 0.00 0.02 -1.26 -1.54 135.00 135.20 2gmk s PRO 95 Ca -0.13 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2gmk s PRO 95 Cb -0.07 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.30 2gmk s PRO 95 CO 0.01 -0.52 0.00 1.33 -0.33 0.00 0.00 177.00 177.50 2gmk n VAL 96 N 3.34 0.00 -3.82 3.83 0.24 0.43 -4.01 118.33 118.34 2gmk n VAL 96 Ca 0.11 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 2gmk n VAL 96 Cb 0.40 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.50 2gmk n VAL 96 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2gmk s HIS 97 N -1.20 -0.06 -0.20 6.34 3.76 -1.21 -3.81 115.29 118.91 2gmk s HIS 97 Ca 0.00 0.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 2gmk s HIS 97 Cb 0.00 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 2gmk s HIS 97 CO 0.00 -0.34 0.41 0.12 -0.85 0.00 0.00 174.74 174.09 2gmk s PHE 98 N -1.37 3.38 -0.23 1.40 2.19 -1.26 -1.04 117.98 121.04 2gmk s PHE 98 Ca -0.14 0.64 -0.17 0.00 0.33 0.00 0.00 56.93 57.60 2gmk s PHE 98 Cb -0.06 -2.54 -0.13 0.00 -1.31 0.00 0.00 43.02 38.97 2gmk s PHE 98 CO 0.03 -0.01 -0.15 0.28 1.83 0.00 0.00 175.22 177.19 2gmk n VAL 99 N 4.34 1.52 -3.80 3.12 0.31 -0.04 -4.92 118.33 118.85 2gmk n VAL 99 Ca -0.08 -0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.12 2gmk n VAL 99 Cb 0.51 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2gmk n VAL 99 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2gmk s GLY 100 N -5.11 -0.26 -0.13 2.92 0.00 -1.06 -4.98 107.32 98.70 2gmk s GLY 100 Ca -0.32 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 2gmk s GLY 100 CO 0.49 2.85 0.06 0.14 0.00 0.00 0.00 173.10 176.64 2gmk s VAL 101 N -2.21 4.80 0.00 1.40 1.01 -1.26 -0.47 120.40 123.68 2gmk s VAL 101 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2gmk s VAL 101 Cb 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2gmk s VAL 101 CO -0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2gmk n GLY 102 N 2.53 2.73 3.44 4.51 0.00 0.60 -4.89 105.19 114.10 2gmk n GLY 102 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2gmk n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gmk s SER 103 N -0.36 -0.57 0.00 1.61 0.15 -1.26 -4.91 113.70 108.36 2gmk s SER 103 Ca 0.00 0.22 0.29 0.00 0.70 0.00 0.00 55.95 57.15 2gmk s SER 103 Cb 0.00 0.56 1.72 0.00 -1.71 0.00 0.00 66.02 66.59 2gmk s SER 103 CO 0.00 -0.83 2.06 0.00 1.20 0.00 0.00 173.24 175.66