#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfk s VAL 2 N 0.00 4.02 0.58 3.15 1.01 -1.26 -0.90 120.40 126.99 1gfk s VAL 2 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 1gfk s VAL 2 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1gfk s VAL 2 CO 0.00 -0.32 1.12 -0.36 0.00 0.00 0.00 175.10 175.53 1gfk s PHE 3 N 1.42 2.68 0.30 5.22 0.08 0.25 -4.99 117.98 122.93 1gfk s PHE 3 Ca 0.01 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.51 1gfk s PHE 3 Cb -0.21 -3.23 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1gfk s PHE 3 CO 0.03 -1.57 0.63 -1.21 -0.10 0.00 0.00 175.22 173.00 1gfk s GLU 4 N -3.59 3.80 0.01 0.44 2.02 -1.26 -4.83 118.70 115.28 1gfk s GLU 4 Ca 0.70 0.33 -0.02 0.00 0.02 0.00 0.00 54.97 56.00 1gfk s GLU 4 Cb -0.22 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 1gfk s GLU 4 CO 0.32 0.19 1.04 -0.09 0.02 0.00 0.00 175.26 176.74 1gfk h ARG 5 N 2.02 -0.01 -0.08 1.61 2.43 -1.96 -1.38 114.38 117.00 1gfk h ARG 5 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1gfk h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1gfk h ARG 5 CO 0.67 -0.01 -0.10 0.00 -1.51 0.00 0.00 179.97 179.02 1gfk h GLU 7 N 0.12 0.36 -0.45 0.00 4.81 -1.86 -1.86 114.58 115.70 1gfk h GLU 7 Ca 0.03 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1gfk h GLU 7 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1gfk h GLU 7 CO 0.01 0.24 -0.25 1.25 -0.73 0.00 0.00 179.01 179.53 1gfk h LEU 8 N 0.37 0.99 -0.60 1.64 5.85 -0.57 -1.54 115.31 121.45 1gfk h LEU 8 Ca 0.11 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1gfk h LEU 8 Cb -0.03 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1gfk h LEU 8 CO -0.04 1.18 0.32 0.00 -0.34 0.00 0.00 178.44 179.57 1gfk h ALA 9 N 0.88 0.79 -0.21 1.25 0.00 -1.00 0.28 119.26 121.25 1gfk h ALA 9 Ca 0.10 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1gfk h ALA 9 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1gfk h ALA 9 CO 0.07 -0.00 -0.54 0.00 0.00 0.00 0.00 179.25 178.78 1gfk h ARG 10 N 0.62 0.62 -0.49 0.00 3.08 -1.30 -1.75 114.38 115.15 1gfk h ARG 10 Ca 0.26 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1gfk h ARG 10 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1gfk h ARG 10 CO -0.17 1.00 0.28 1.15 -1.07 0.00 0.00 179.97 181.17 1gfk h THR 11 N 0.48 1.16 -0.59 2.04 2.02 -0.28 -1.38 112.91 116.37 1gfk h THR 11 Ca 0.01 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1gfk h THR 11 Cb 1.10 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1gfk h THR 11 CO 0.11 0.17 0.10 -0.07 0.37 0.00 0.00 175.52 176.20 1gfk h LEU 12 N 0.65 0.93 -0.32 2.58 3.38 -0.42 -2.58 115.31 119.53 1gfk h LEU 12 Ca 0.17 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1gfk h LEU 12 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1gfk h LEU 12 CO -0.03 0.95 0.19 0.50 0.09 0.00 0.00 178.44 180.13 1gfk h LYS 13 N 0.87 0.38 0.00 1.13 3.64 -1.00 -1.69 116.57 119.89 1gfk h LYS 13 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1gfk h LYS 13 Cb 0.41 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1gfk h LYS 13 CO 0.01 0.25 -0.03 0.00 -2.27 0.00 0.00 179.45 177.41 1gfk h ARG 14 N 0.39 0.00 -0.12 1.90 3.08 -1.08 -0.97 114.38 117.59 1gfk h ARG 14 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1gfk h ARG 14 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1gfk h ARG 14 CO -0.06 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 1gfk n LEU 15 N -4.23 0.93 0.00 3.04 4.77 -0.68 -4.91 117.00 115.92 1gfk n LEU 15 Ca -0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1gfk n LEU 15 Cb 0.12 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1gfk n LEU 15 CO 0.32 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1gfk n GLY 16 N 0.93 0.44 0.16 -0.72 0.00 -0.37 -4.99 105.19 100.65 1gfk n GLY 16 Ca 0.13 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.27 1gfk n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfk h MET 17 N 0.00 0.00 -5.89 1.61 2.86 -1.58 -3.40 114.93 108.53 1gfk h MET 17 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1gfk h MET 17 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1gfk h MET 17 CO 0.00 0.11 1.43 0.34 1.06 0.00 0.00 176.91 179.86 1gfk s ASP 18 N -5.97 5.06 0.00 1.22 2.15 -1.26 -2.37 116.67 115.50 1gfk s ASP 18 Ca 0.03 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.61 1gfk s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1gfk s ASP 18 CO 0.73 -2.49 0.00 0.61 -0.17 0.00 0.00 175.17 173.85 1gfk n GLY 19 N 5.78 0.64 3.67 2.66 0.00 0.57 -4.87 105.19 113.63 1gfk n GLY 19 Ca 0.25 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1gfk n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gfk n TYR 20 N -2.71 2.56 -3.40 1.61 9.36 -1.00 -0.90 117.16 122.68 1gfk n TYR 20 Ca 0.00 -0.29 -0.25 0.00 3.32 0.00 0.00 57.90 60.68 1gfk n TYR 20 Cb 0.00 -2.78 0.01 0.00 -0.63 0.00 0.00 39.34 35.94 1gfk n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gfk n ARG 21 N 6.83 -4.24 -0.98 2.98 5.12 -1.26 -1.08 116.66 124.03 1gfk n ARG 21 Ca 0.19 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1gfk n ARG 21 Cb 0.39 -5.40 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 1gfk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfk n GLY 22 N -1.38 0.64 3.53 -0.13 0.00 -0.08 -5.01 105.19 102.76 1gfk n GLY 22 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1gfk n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfk s ILE 23 N -2.64 5.19 0.79 -0.61 1.01 -0.24 -4.90 121.20 119.80 1gfk s ILE 23 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1gfk s ILE 23 Cb 0.00 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.71 1gfk s ILE 23 CO 0.00 -0.14 1.14 -0.94 0.00 0.00 0.00 174.94 175.01 1gfk s SER 24 N 1.74 3.96 0.33 3.58 1.04 -1.26 -0.32 113.70 122.76 1gfk s SER 24 Ca 0.10 2.12 0.01 0.00 0.48 0.00 0.00 55.95 58.66 1gfk s SER 24 Cb -0.17 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 63.96 1gfk s SER 24 CO 0.12 -2.41 1.97 0.25 0.98 0.00 0.00 173.24 174.15 1gfk h LEU 25 N -1.00 0.83 -1.55 2.42 5.85 -1.90 -1.90 115.31 118.06 1gfk h LEU 25 Ca -0.45 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1gfk h LEU 25 Cb 1.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1gfk h LEU 25 CO 0.48 0.58 -0.14 0.00 -0.34 0.00 0.00 178.44 179.02 1gfk h ALA 26 N 1.54 1.63 -0.26 1.25 0.00 -1.91 -0.61 119.26 120.91 1gfk h ALA 26 Ca 0.30 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1gfk h ALA 26 Cb -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gfk h ALA 26 CO -0.08 0.27 -0.33 -0.91 0.00 0.00 0.00 179.25 178.20 1gfk h ASN 27 N 0.11 0.74 -0.87 0.00 2.35 -1.67 -1.30 115.58 114.93 1gfk h ASN 27 Ca 0.02 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.26 1gfk h ASN 27 Cb 0.32 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1gfk h ASN 27 CO 0.02 1.09 0.49 -0.50 -1.65 0.00 0.00 177.43 176.88 1gfk h TRP 28 N 0.41 1.20 -0.38 1.19 4.06 -1.14 -0.54 115.95 120.75 1gfk h TRP 28 Ca 0.03 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1gfk h TRP 28 Cb 0.91 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 1gfk h TRP 28 CO 0.08 0.82 0.07 0.52 -3.56 0.00 0.00 178.44 176.37 1gfk h MET 29 N 1.23 0.63 -0.18 0.49 2.86 -1.00 -1.38 114.93 117.57 1gfk h MET 29 Ca 0.31 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1gfk h MET 29 Cb 0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1gfk h MET 29 CO -0.05 0.68 -0.05 0.00 1.06 0.00 0.00 176.91 178.55 1gfk h LEU 31 N 0.26 -0.25 -1.00 0.00 5.85 -0.75 -2.22 115.31 117.21 1gfk h LEU 31 Ca 0.06 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1gfk h LEU 31 Cb 0.27 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1gfk h LEU 31 CO 0.01 0.19 0.66 0.00 -0.34 0.00 0.00 178.44 178.96 1gfk h ALA 32 N -0.17 1.28 0.68 1.25 0.00 -1.10 0.18 119.26 121.38 1gfk h ALA 32 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1gfk h ALA 32 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gfk h ALA 32 CO 0.05 0.62 -0.44 -0.22 0.00 0.00 0.00 179.25 179.26 1gfk h LYS 33 N 1.32 -1.02 0.00 0.00 1.63 -1.06 -1.63 116.57 115.81 1gfk h LYS 33 Ca 0.38 0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 60.15 1gfk h LYS 33 Cb -0.10 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1gfk h LYS 33 CO -0.10 -0.68 -0.44 -1.49 -3.45 0.00 0.00 179.45 173.30 1gfk h TRP 34 N -1.06 0.00 -0.02 1.91 4.06 -1.22 -0.35 115.95 119.28 1gfk h TRP 34 Ca -0.09 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.66 1gfk h TRP 34 Cb 0.86 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.03 1gfk h TRP 34 CO -0.12 0.44 -0.80 0.93 -3.56 0.00 0.00 178.44 175.33 1gfk h GLU 35 N 0.00 0.57 0.00 0.49 4.39 -0.60 -3.43 114.58 116.00 1gfk h GLU 35 Ca -0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1gfk h GLU 35 Cb 0.91 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1gfk h GLU 35 CO 0.06 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1gfk n SER 36 N -4.05 0.00 -0.95 1.42 3.41 -0.65 -4.83 113.62 107.98 1gfk n SER 36 Ca -0.10 -0.80 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1gfk n SER 36 Cb 0.76 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1gfk n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfk n GLY 37 N 0.00 0.16 2.37 5.00 0.00 -0.14 -2.72 105.19 109.86 1gfk n GLY 37 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1gfk n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfk n TYR 38 N -3.83 -0.87 -3.72 1.61 0.53 -1.13 -4.75 117.16 104.99 1gfk n TYR 38 Ca -0.10 0.11 -0.38 0.00 -1.02 0.00 0.00 57.90 56.51 1gfk n TYR 38 Cb 0.54 -3.11 -0.12 0.00 -1.03 0.00 0.00 39.34 35.61 1gfk n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfk s ASN 39 N -2.51 5.29 0.57 7.72 2.47 -1.10 -0.59 114.94 126.80 1gfk s ASN 39 Ca 0.06 -0.72 0.36 0.00 0.42 0.00 0.00 52.86 52.98 1gfk s ASN 39 Cb -0.03 -1.92 1.59 0.00 -1.45 0.00 0.00 41.25 39.44 1gfk s ASN 39 CO 0.08 -0.22 2.07 0.71 -3.72 0.00 0.00 177.10 176.02 1gfk h THR 40 N 5.84 0.03 -0.01 -5.21 1.35 -1.34 -2.74 112.91 110.84 1gfk h THR 40 Ca -0.30 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1gfk h THR 40 Cb 1.13 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1gfk h THR 40 CO 0.61 0.01 -0.27 0.54 -0.25 0.00 0.00 175.52 176.16 1gfk n ARG 41 N -3.11 0.96 -1.67 4.72 1.74 -1.26 -4.04 116.66 113.99 1gfk n ARG 41 Ca -0.00 -0.60 -0.44 0.00 -0.77 0.00 0.00 57.85 56.04 1gfk n ARG 41 Cb 0.26 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1gfk n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfk n ALA 42 N -0.50 0.91 -3.14 7.54 0.00 -1.04 -4.75 120.51 119.52 1gfk n ALA 42 Ca 0.12 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 1gfk n ALA 42 Cb 0.37 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 1gfk n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gfk s THR 43 N -0.79 0.04 -0.15 0.00 -4.23 -1.26 -0.73 115.64 108.52 1gfk s THR 43 Ca 0.60 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1gfk s THR 43 Cb -0.62 -0.43 0.07 0.00 1.34 0.00 0.00 72.50 72.86 1gfk s THR 43 CO 0.58 -0.19 0.20 0.21 -0.54 0.00 0.00 174.62 174.88 1gfk s ASN 44 N -0.72 1.06 0.11 3.99 2.47 -0.88 -4.96 114.94 116.00 1gfk s ASN 44 Ca -0.08 0.08 -0.23 0.00 0.42 0.00 0.00 52.86 53.05 1gfk s ASN 44 Cb -0.05 0.35 -0.07 0.00 -1.45 0.00 0.00 41.25 40.03 1gfk s ASN 44 CO 0.02 -0.28 0.70 -0.47 -3.72 0.00 0.00 177.10 173.34 1gfk s TYR 45 N 2.32 3.84 -0.61 0.43 6.14 -1.26 -0.51 117.35 127.69 1gfk s TYR 45 Ca 0.04 1.48 -0.06 0.00 0.64 0.00 0.00 57.07 59.17 1gfk s TYR 45 Cb -0.14 -2.69 0.16 0.00 0.42 0.00 0.00 41.96 39.71 1gfk s TYR 45 CO -0.09 0.49 0.46 -0.80 0.64 0.00 0.00 175.55 176.25 1gfk s ASN 46 N -0.91 5.61 0.51 4.32 0.01 0.74 -4.95 114.94 120.27 1gfk s ASN 46 Ca 0.34 -2.57 0.19 0.00 -0.71 0.00 0.00 52.86 50.11 1gfk s ASN 46 Cb -0.21 -1.95 1.28 0.00 0.41 0.00 0.00 41.25 40.78 1gfk s ASN 46 CO 0.23 -0.48 2.07 0.00 -1.51 0.00 0.00 177.10 177.41 1gfk h ALA 47 N 7.53 2.18 -0.59 0.60 0.00 -1.96 0.19 119.26 127.22 1gfk h ALA 47 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gfk h ALA 47 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1gfk h ALA 47 CO 0.75 -0.25 0.28 0.78 0.00 0.00 0.00 179.25 180.80 1gfk h GLY 48 N 0.06 0.91 -0.08 0.00 0.00 -1.95 -3.28 103.07 98.73 1gfk h GLY 48 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1gfk h GLY 48 CO -0.01 0.43 0.00 2.09 0.00 0.00 0.00 176.54 179.05 1gfk n ASP 49 N -4.53 1.88 -1.73 0.19 5.75 -1.07 -5.01 116.55 112.03 1gfk n ASP 49 Ca 0.04 -1.83 -0.16 0.00 -0.01 0.00 0.00 54.79 52.82 1gfk n ASP 49 Cb 0.13 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1gfk n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfk n ARG 50 N -0.35 -1.27 -3.69 0.11 1.74 0.63 -4.81 116.66 109.03 1gfk n ARG 50 Ca 0.01 0.87 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 1gfk n ARG 50 Cb 0.22 -5.23 -0.04 0.00 -1.02 0.00 0.00 32.46 26.39 1gfk n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfk s SER 51 N -2.39 4.95 0.00 0.55 1.04 -1.17 -4.51 113.70 112.17 1gfk s SER 51 Ca 0.00 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1gfk s SER 51 Cb 0.00 -0.58 -0.01 0.00 0.10 0.00 0.00 66.02 65.53 1gfk s SER 51 CO 0.00 -0.61 -0.04 -0.89 0.98 0.00 0.00 173.24 172.68 1gfk s THR 52 N -2.48 0.29 -0.14 2.02 2.01 -1.26 -0.19 115.64 115.89 1gfk s THR 52 Ca 0.46 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1gfk s THR 52 Cb -0.02 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 1gfk s THR 52 CO 0.27 -0.01 0.25 -1.81 -0.69 0.00 0.00 174.62 172.63 1gfk s ASP 53 N -0.33 6.43 -0.03 3.53 1.01 0.34 -1.01 116.67 126.60 1gfk s ASP 53 Ca -0.01 0.51 0.07 0.00 0.71 0.00 0.00 52.55 53.83 1gfk s ASP 53 Cb -0.03 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1gfk s ASP 53 CO -0.00 0.20 -0.26 -0.31 0.21 0.00 0.00 175.17 175.02 1gfk s TYR 54 N -0.05 2.36 0.00 4.23 2.02 -0.00 -2.08 117.35 123.83 1gfk s TYR 54 Ca 0.16 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1gfk s TYR 54 Cb -0.13 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1gfk s TYR 54 CO 0.04 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1gfk n GLY 55 N 2.64 -1.46 0.28 0.71 0.00 0.09 -1.58 105.19 105.87 1gfk n GLY 55 Ca -0.17 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1gfk n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfk h ILE 56 N 0.00 0.72 -0.02 -0.61 2.10 -1.68 -1.32 117.51 116.71 1gfk h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1gfk h ILE 56 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1gfk h ILE 56 CO 0.00 0.00 -0.13 0.49 -1.08 0.00 0.00 178.15 177.43 1gfk n PHE 57 N -4.12 0.00 -3.72 2.19 0.99 -1.26 -4.02 117.46 107.52 1gfk n PHE 57 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.16 1gfk n PHE 57 Cb 0.09 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.60 1gfk n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfk n GLN 58 N 0.54 -2.67 -2.62 -1.08 1.13 -0.50 -4.91 117.38 107.27 1gfk n GLN 58 Ca 0.09 0.51 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 1gfk n GLN 58 Cb 0.40 -4.60 -0.03 0.00 0.11 0.00 0.00 30.24 26.12 1gfk n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfk s ILE 59 N -3.62 4.61 0.16 5.09 1.01 -0.62 -4.36 121.20 123.47 1gfk s ILE 59 Ca 0.25 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1gfk s ILE 59 Cb -0.08 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 1gfk s ILE 59 CO 0.85 0.13 1.01 0.21 0.00 0.00 0.00 174.94 177.13 1gfk s ASN 60 N 1.05 7.44 0.53 3.58 3.84 -1.26 -0.82 114.94 129.30 1gfk s ASN 60 Ca 0.54 1.93 0.31 0.00 0.21 0.00 0.00 52.86 55.85 1gfk s ASN 60 Cb -0.23 -2.60 1.46 0.00 -0.55 0.00 0.00 41.25 39.33 1gfk s ASN 60 CO 0.27 -0.08 2.04 0.77 -2.79 0.00 0.00 177.10 177.32 1gfk h SER 61 N 5.11 0.00 -0.19 -4.21 4.64 -1.33 -2.47 113.55 115.10 1gfk h SER 61 Ca -0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1gfk h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gfk h SER 61 CO 0.71 0.10 0.13 -0.09 -0.87 0.00 0.00 176.83 176.81 1gfk h ARG 62 N 0.00 0.14 0.00 4.77 2.43 -1.84 -3.37 114.38 116.52 1gfk h ARG 62 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1gfk h ARG 62 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1gfk h ARG 62 CO 0.01 0.10 -0.61 0.66 -1.51 0.00 0.00 179.97 178.62 1gfk n TYR 63 N -4.50 0.00 -0.09 2.20 4.01 -1.18 -0.09 117.16 117.51 1gfk n TYR 63 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 1gfk n TYR 63 Cb 0.16 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.06 1gfk n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfk n TRP 64 N -1.30 0.00 -4.08 -0.72 7.02 -0.94 -0.53 117.44 116.89 1gfk n TRP 64 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 1gfk n TRP 64 Cb 0.23 -0.89 -0.10 0.00 -2.42 0.00 0.00 31.31 28.13 1gfk n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfk s ASN 66 N -2.71 6.13 0.00 0.00 2.47 -0.34 -4.61 114.94 115.88 1gfk s ASN 66 Ca 0.04 0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1gfk s ASN 66 Cb 0.05 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 1gfk s ASN 66 CO -0.08 0.11 0.80 -0.90 -3.72 0.00 0.00 177.10 173.31 1gfk n ASP 67 N 3.99 1.56 0.00 -4.21 5.68 -1.26 -0.81 116.55 121.50 1gfk n ASP 67 Ca -0.15 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1gfk n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1gfk n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gfk n GLY 68 N -0.31 0.53 0.31 6.12 0.00 -1.26 -4.75 105.19 105.83 1gfk n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1gfk n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfk n LYS 69 N -2.00 0.90 -3.85 1.61 2.85 -1.26 -4.99 118.16 111.42 1gfk n LYS 69 Ca 0.00 -2.20 -0.36 0.00 -1.05 0.00 0.00 58.31 54.71 1gfk n LYS 69 Cb 0.00 -1.17 -0.13 0.00 -0.65 0.00 0.00 35.03 33.08 1gfk n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfk s THR 70 N -1.99 3.50 0.04 0.58 2.01 -1.26 -4.92 115.64 113.60 1gfk s THR 70 Ca 0.24 -0.75 -0.35 0.00 0.31 0.00 0.00 61.69 61.14 1gfk s THR 70 Cb 0.22 -2.75 -0.14 0.00 0.01 0.00 0.00 72.50 69.83 1gfk s THR 70 CO 0.00 0.19 1.61 -2.65 -0.69 0.00 0.00 174.62 173.08 1gfk n PRO 71 N 4.79 1.82 -2.36 4.92 -0.02 -1.26 -2.48 135.00 140.40 1gfk n PRO 71 Ca -0.16 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1gfk n PRO 71 Cb 0.48 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1gfk n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfk n GLY 72 N 3.50 -0.38 3.83 -1.23 0.00 -1.26 -4.93 105.19 104.72 1gfk n GLY 72 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1gfk n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfk s ALA 73 N -2.50 2.65 0.43 4.61 0.00 -1.04 -5.04 121.76 120.88 1gfk s ALA 73 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1gfk s ALA 73 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1gfk s ALA 73 CO 0.00 -1.27 0.10 -0.80 0.00 0.00 0.00 175.76 173.80 1gfk s ASN 74 N -3.92 4.19 -0.39 0.00 -0.87 0.87 -4.99 114.94 109.83 1gfk s ASN 74 Ca 0.58 -1.28 0.08 0.00 -1.57 0.00 0.00 52.86 50.67 1gfk s ASN 74 Cb -0.13 -0.25 0.26 0.00 -0.02 0.00 0.00 41.25 41.10 1gfk s ASN 74 CO 0.54 -0.59 0.54 -3.20 -2.57 0.00 0.00 177.10 171.83 1gfk n ASN 75 N -1.17 0.15 0.23 -1.22 5.15 -1.19 -3.78 115.26 113.42 1gfk n ASN 75 Ca -0.05 -2.73 0.06 0.00 -0.60 0.00 0.00 54.58 51.26 1gfk n ASN 75 Cb 0.66 -0.58 0.56 0.00 -0.53 0.00 0.00 39.78 39.89 1gfk n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfk h ALA 76 N 3.92 1.84 -0.01 5.20 0.00 -0.85 -1.61 119.26 127.76 1gfk h ALA 76 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gfk h ALA 76 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1gfk h ALA 76 CO 0.46 0.12 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1gfk n HIS 78 N -0.61 -1.72 -4.04 0.00 -0.00 -0.61 -4.96 115.22 103.29 1gfk n HIS 78 Ca 0.16 0.52 -0.09 0.00 -0.00 0.00 0.00 57.72 58.31 1gfk n HIS 78 Cb 0.30 -3.46 -0.11 0.00 -0.00 0.00 0.00 29.99 26.73 1gfk n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfk s LEU 79 N -6.83 2.35 0.30 2.41 1.43 -1.26 -5.07 118.68 112.01 1gfk s LEU 79 Ca 0.28 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1gfk s LEU 79 Cb -0.11 0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.09 1gfk s LEU 79 CO 0.89 -0.40 0.96 -0.55 0.23 0.00 0.00 176.35 177.48 1gfk s SER 80 N -2.08 7.40 0.61 2.29 0.15 -1.26 -1.20 113.70 119.61 1gfk s SER 80 Ca -0.05 1.90 0.32 0.00 0.70 0.00 0.00 55.95 58.81 1gfk s SER 80 Cb -0.03 -2.59 1.85 0.00 -1.71 0.00 0.00 66.02 63.54 1gfk s SER 80 CO -0.04 -0.02 2.19 0.00 1.20 0.00 0.00 173.24 176.57 1gfk h SER 82 N 0.00 0.51 0.17 0.00 0.87 -1.90 -0.68 113.55 112.51 1gfk h SER 82 Ca 0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1gfk h SER 82 Cb 0.24 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1gfk h SER 82 CO -0.00 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 1gfk h ALA 83 N 1.66 1.00 -0.46 6.23 0.00 -1.20 -0.21 119.26 126.28 1gfk h ALA 83 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1gfk h ALA 83 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gfk h ALA 83 CO -0.09 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1gfk n LEU 84 N -3.04 2.74 -0.04 0.00 4.77 -0.26 -3.83 117.00 117.33 1gfk n LEU 84 Ca -0.02 -1.37 0.05 0.00 -0.03 0.00 0.00 56.01 54.63 1gfk n LEU 84 Cb 0.11 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1gfk n LEU 84 CO 0.21 0.62 0.52 0.18 -1.33 0.00 0.00 177.39 177.59 1gfk n LEU 85 N 0.83 2.09 -4.86 2.23 4.77 -0.09 -3.12 117.00 118.86 1gfk n LEU 85 Ca 0.16 -2.47 -0.31 0.00 -0.03 0.00 0.00 56.01 53.36 1gfk n LEU 85 Cb 0.46 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1gfk n LEU 85 CO 0.12 0.59 0.59 -1.10 -1.33 0.00 0.00 177.39 176.25 1gfk s GLN 86 N -1.87 3.86 0.28 3.23 -0.21 -1.25 -4.62 119.66 119.08 1gfk s GLN 86 Ca 0.15 0.74 0.05 0.00 0.02 0.00 0.00 55.36 56.33 1gfk s GLN 86 Cb 0.13 -2.24 0.40 0.00 1.00 0.00 0.00 33.01 32.31 1gfk s GLN 86 CO 0.01 -0.19 1.68 -0.44 -2.12 0.00 0.00 175.29 174.23 1gfk h ASP 87 N 0.98 0.33 -3.19 5.90 5.19 -1.94 -3.40 116.42 120.29 1gfk h ASP 87 Ca -0.47 -0.14 -0.58 0.00 -0.62 0.00 0.00 57.03 55.23 1gfk h ASP 87 Cb 1.19 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 1gfk h ASP 87 CO 0.62 0.71 0.62 0.21 -3.12 0.00 0.00 179.24 178.28 1gfk s ASN 88 N -6.87 7.07 0.00 6.45 3.84 -1.26 -4.90 114.94 119.26 1gfk s ASN 88 Ca -0.05 1.33 0.17 0.00 0.21 0.00 0.00 52.86 54.52 1gfk s ASN 88 Cb 0.13 -2.51 0.61 0.00 -0.55 0.00 0.00 41.25 38.92 1gfk s ASN 88 CO 0.78 -0.55 1.45 2.30 -2.79 0.00 0.00 177.10 178.30 1gfk n ILE 89 N 5.02 0.30 -0.15 -5.21 -5.35 -1.26 -4.51 119.36 108.20 1gfk n ILE 89 Ca 0.09 -0.39 -0.04 0.00 -0.27 0.00 0.00 62.75 62.14 1gfk n ILE 89 Cb 0.47 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.72 1gfk n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfk h ALA 90 N 3.91 0.19 -0.65 -1.28 0.00 -1.95 0.52 119.26 120.00 1gfk h ALA 90 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1gfk h ALA 90 Cb 0.48 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1gfk h ALA 90 CO 0.00 -0.52 0.11 -0.44 0.00 0.00 0.00 179.25 178.39 1gfk h ASP 91 N -0.08 1.01 -0.22 0.00 3.45 -1.86 -1.12 116.42 117.60 1gfk h ASP 91 Ca 0.23 -0.23 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 1gfk h ASP 91 Cb 0.44 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1gfk h ASP 91 CO -0.54 1.00 -0.09 0.00 -1.57 0.00 0.00 179.24 178.05 1gfk h ALA 92 N 1.12 1.20 -0.38 3.45 0.00 -1.56 -0.76 119.26 122.33 1gfk h ALA 92 Ca 0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1gfk h ALA 92 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1gfk h ALA 92 CO 0.01 0.52 -0.38 0.28 0.00 0.00 0.00 179.25 179.68 1gfk h VAL 93 N 0.54 1.27 -0.61 0.00 2.07 -0.62 0.21 116.25 119.11 1gfk h VAL 93 Ca 0.10 -1.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1gfk h VAL 93 Cb 0.48 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1gfk h VAL 93 CO 0.03 0.52 0.14 0.00 0.02 0.00 0.00 177.57 178.27 1gfk h ALA 94 N 0.77 1.09 -0.08 1.67 0.00 -0.81 -0.13 119.26 121.77 1gfk h ALA 94 Ca 0.06 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 1gfk h ALA 94 Cb 0.98 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gfk h ALA 94 CO 0.09 0.60 -0.82 0.00 0.00 0.00 0.00 179.25 179.13 1gfk h ALA 96 N 0.70 1.37 -0.44 0.00 0.00 -0.16 -0.22 119.26 120.49 1gfk h ALA 96 Ca -0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1gfk h ALA 96 Cb 1.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1gfk h ALA 96 CO 0.15 0.47 -0.29 0.87 0.00 0.00 0.00 179.25 180.46 1gfk h LYS 97 N 0.75 0.98 -0.43 0.00 1.57 -0.95 -2.65 116.57 115.85 1gfk h LYS 97 Ca 0.18 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1gfk h LYS 97 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1gfk h LYS 97 CO -0.02 1.13 0.26 -0.09 -0.57 0.00 0.00 179.45 180.16 1gfk h ARG 98 N 0.83 0.51 -0.17 3.15 9.65 -0.38 -2.30 114.38 125.66 1gfk h ARG 98 Ca 0.09 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1gfk h ARG 98 Cb 0.88 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.31 1gfk h ARG 98 CO 0.08 0.34 -0.07 0.28 2.80 0.00 0.00 179.97 183.39 1gfk h VAL 99 N 0.52 0.76 0.00 0.20 2.07 -0.99 -2.59 116.25 116.22 1gfk h VAL 99 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1gfk h VAL 99 Cb -0.00 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1gfk h VAL 99 CO -0.07 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.85 1gfk n VAL 100 N -5.22 0.81 0.60 2.57 0.24 -1.01 -2.00 118.33 114.33 1gfk n VAL 100 Ca -0.03 0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 1gfk n VAL 100 Cb 0.14 -0.94 0.44 0.00 -1.47 0.00 0.00 33.84 32.02 1gfk n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gfk n ARG 101 N -1.64 0.10 -1.81 7.34 1.74 -0.89 -4.06 116.66 117.44 1gfk n ARG 101 Ca 0.04 0.24 -0.30 0.00 -0.77 0.00 0.00 57.85 57.05 1gfk n ARG 101 Cb 0.21 -1.65 0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1gfk n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gfk s ASP 102 N -3.60 5.58 0.25 0.55 -0.00 -0.85 -4.97 116.67 113.63 1gfk s ASP 102 Ca 0.08 1.29 -0.07 0.00 -0.00 0.00 0.00 52.55 53.85 1gfk s ASP 102 Cb 0.12 -2.16 0.43 0.00 -0.00 0.00 0.00 42.92 41.31 1gfk s ASP 102 CO 0.41 -1.27 1.62 1.55 -0.00 0.00 0.00 175.17 177.48 1gfk h PRO 103 N -0.60 0.06 0.00 8.23 0.13 -1.87 -2.06 132.00 135.89 1gfk h PRO 103 Ca -0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1gfk h PRO 103 Cb 1.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1gfk h PRO 103 CO 0.62 0.04 -0.11 1.96 -0.23 0.00 0.00 178.00 180.28 1gfk h GLN 104 N 0.07 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 114.85 1gfk h GLN 104 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1gfk h GLN 104 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1gfk h GLN 104 CO -0.72 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 177.96 1gfk n GLY 105 N -1.08 1.95 0.32 3.46 0.00 -0.78 -2.38 105.19 106.68 1gfk n GLY 105 Ca -0.02 -0.58 0.21 0.00 0.00 0.00 0.00 46.02 45.63 1gfk n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfk h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -2.35 117.51 118.72 1gfk h ILE 106 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1gfk h ILE 106 Cb 0.00 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.35 1gfk h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gfk n ARG 107 N -3.03 0.01 -0.25 2.19 1.74 -1.00 -2.56 116.66 113.76 1gfk n ARG 107 Ca -0.02 0.36 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 1gfk n ARG 107 Cb 0.11 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.38 1gfk n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfk h ALA 108 N 2.26 1.69 -2.19 7.54 0.00 -1.60 -3.38 119.26 123.58 1gfk h ALA 108 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1gfk h ALA 108 Cb 0.13 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 1gfk h ALA 108 CO 0.00 0.14 0.34 -1.58 0.00 0.00 0.00 179.25 178.15 1gfk s TRP 109 N -5.75 3.11 0.44 0.00 0.51 -1.06 -4.94 118.94 111.25 1gfk s TRP 109 Ca -0.10 0.50 0.10 0.00 -2.12 0.00 0.00 56.10 54.47 1gfk s TRP 109 Cb 0.20 -3.38 0.97 0.00 -0.81 0.00 0.00 33.47 30.46 1gfk s TRP 109 CO 0.79 -0.74 2.07 0.28 -0.51 0.00 0.00 176.95 178.85 1gfk h VAL 110 N 5.76 1.08 -0.50 4.03 2.07 -1.89 -1.35 116.25 125.45 1gfk h VAL 110 Ca -0.25 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1gfk h VAL 110 Cb 1.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1gfk h VAL 110 CO 0.90 0.08 0.19 0.00 0.02 0.00 0.00 177.57 178.77 1gfk h ALA 111 N 1.81 1.40 -0.51 1.67 0.00 -1.94 -0.41 119.26 121.28 1gfk h ALA 111 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gfk h ALA 111 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1gfk h ALA 111 CO -0.02 0.45 0.15 2.35 0.00 0.00 0.00 179.25 182.19 1gfk h TRP 112 N 0.72 0.82 -0.43 0.00 7.01 -1.57 0.13 115.95 122.63 1gfk h TRP 112 Ca 0.17 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1gfk h TRP 112 Cb 0.15 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1gfk h TRP 112 CO 0.01 0.72 0.24 0.00 -2.79 0.00 0.00 178.44 176.61 1gfk h ARG 113 N 0.69 0.60 -0.49 2.65 3.08 -1.23 0.28 114.38 119.97 1gfk h ARG 113 Ca 0.16 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1gfk h ARG 113 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1gfk h ARG 113 CO -0.00 0.48 0.17 -0.91 -1.07 0.00 0.00 179.97 178.64 1gfk h ASN 114 N 0.56 0.69 -0.00 7.04 2.35 -0.88 -3.35 115.58 122.00 1gfk h ASN 114 Ca 0.15 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1gfk h ASN 114 Cb 0.05 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1gfk h ASN 114 CO -0.02 0.70 0.00 0.54 -1.65 0.00 0.00 177.43 176.99 1gfk n ARG 115 N -4.53 0.08 0.00 0.81 1.74 0.02 -4.85 116.66 109.92 1gfk n ARG 115 Ca 0.01 -0.78 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1gfk n ARG 115 Cb 0.18 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1gfk n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfk n GLN 117 N -2.18 2.15 -2.32 0.00 7.27 -0.31 -2.02 117.38 119.98 1gfk n GLN 117 Ca 0.00 0.77 -0.17 0.00 0.07 0.00 0.00 57.00 57.67 1gfk n GLN 117 Cb 0.30 -2.51 -0.02 0.00 2.41 0.00 0.00 30.24 30.42 1gfk n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gfk n ASN 118 N 2.99 -5.03 -4.61 1.69 5.03 -1.26 -4.97 115.26 109.11 1gfk n ASN 118 Ca 0.15 0.11 -0.27 0.00 0.87 0.00 0.00 54.58 55.44 1gfk n ASN 118 Cb 0.30 -4.24 -0.10 0.00 -1.02 0.00 0.00 39.78 34.71 1gfk n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfk s ARG 119 N -4.87 1.96 -0.70 3.52 1.81 -0.85 -5.08 118.95 114.74 1gfk s ARG 119 Ca 0.00 -1.99 -0.24 0.00 -1.72 0.00 0.00 55.73 51.78 1gfk s ARG 119 Cb 0.00 -1.73 0.06 0.00 -0.45 0.00 0.00 34.95 32.83 1gfk s ARG 119 CO 0.00 0.02 1.08 0.34 -0.68 0.00 0.00 175.30 176.06 1gfk s ASP 120 N -3.70 6.19 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.21 1gfk s ASP 120 Ca 0.35 -0.86 0.24 0.00 -0.52 0.00 0.00 52.55 51.76 1gfk s ASP 120 Cb 0.06 -2.47 0.40 0.00 -1.46 0.00 0.00 42.92 39.46 1gfk s ASP 120 CO 0.18 -1.56 1.38 1.33 0.52 0.00 0.00 175.17 177.03 1gfk n VAL 121 N 6.08 0.19 -0.26 1.11 0.24 -1.26 -4.49 118.33 119.93 1gfk n VAL 121 Ca 0.00 -0.55 0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1gfk n VAL 121 Cb 0.47 1.13 0.37 0.00 -1.47 0.00 0.00 33.84 34.34 1gfk n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfk h ARG 122 N 4.20 0.69 -0.22 7.34 3.08 -1.92 -1.92 114.38 125.62 1gfk h ARG 122 Ca 0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1gfk h ARG 122 Cb 0.90 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1gfk h ARG 122 CO 0.00 0.45 0.29 -0.56 -1.07 0.00 0.00 179.97 179.08 1gfk h GLN 123 N 0.71 0.00 0.00 0.04 3.07 -1.98 -2.54 115.11 114.41 1gfk h GLN 123 Ca 0.43 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.09 1gfk h GLN 123 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 1gfk h GLN 123 CO -0.19 0.00 -0.39 1.88 0.09 0.00 0.00 178.83 180.22 1gfk h TYR 124 N 0.00 0.00 -0.03 0.06 0.05 -1.69 -3.20 116.97 112.15 1gfk h TYR 124 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1gfk h TYR 124 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1gfk h TYR 124 CO 0.00 0.39 0.00 1.33 -1.05 0.00 0.00 178.16 178.83 1gfk n VAL 125 N -3.72 0.08 -1.77 -2.88 0.24 -0.97 -4.79 118.33 104.52 1gfk n VAL 125 Ca -0.01 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1gfk n VAL 125 Cb 0.47 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.95 1gfk n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfk s GLN 126 N -0.80 4.15 0.00 7.34 -1.52 -1.13 -1.96 119.66 125.75 1gfk s GLN 126 Ca 0.12 2.51 0.00 0.00 -1.95 0.00 0.00 55.36 56.03 1gfk s GLN 126 Cb 0.08 -3.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 1gfk s GLN 126 CO 0.12 -0.86 0.00 0.41 -0.25 0.00 0.00 175.29 174.71 1gfk n GLY 127 N 4.28 0.89 0.07 3.09 0.00 -1.26 -4.93 105.19 107.32 1gfk n GLY 127 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1gfk n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfk n GLY 129 N 1.37 0.24 0.41 0.00 0.00 -1.26 -4.77 105.19 101.18 1gfk n GLY 129 Ca 0.11 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.52 1gfk n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65