#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfh s VAL 2 N 0.00 3.95 0.59 3.15 1.01 -1.26 -1.21 120.40 126.63 1gfh s VAL 2 Ca 0.00 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 1gfh s VAL 2 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1gfh s VAL 2 CO 0.00 -0.42 1.12 -0.36 0.00 0.00 0.00 175.10 175.44 1gfh s PHE 3 N 1.38 2.64 0.30 5.22 0.08 0.36 -4.99 117.98 122.97 1gfh s PHE 3 Ca 0.02 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.54 1gfh s PHE 3 Cb -0.22 -3.25 -0.06 0.00 -0.57 0.00 0.00 43.02 38.92 1gfh s PHE 3 CO 0.01 -1.63 0.61 -1.21 -0.10 0.00 0.00 175.22 172.90 1gfh s GLU 4 N -3.58 3.71 0.03 0.44 2.02 -1.26 -4.82 118.70 115.23 1gfh s GLU 4 Ca 0.71 0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.81 1gfh s GLU 4 Cb -0.23 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1gfh s GLU 4 CO 0.32 0.18 1.10 -0.09 0.02 0.00 0.00 175.26 176.79 1gfh h ARG 5 N 1.76 -0.05 -0.02 1.61 2.43 -1.96 -1.36 114.38 116.80 1gfh h ARG 5 Ca -0.47 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1gfh h ARG 5 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1gfh h ARG 5 CO 0.66 -0.03 -0.20 0.00 -1.51 0.00 0.00 179.97 178.89 1gfh h GLU 7 N 0.03 -0.03 -0.66 0.00 4.81 -1.88 -2.04 114.58 114.81 1gfh h GLU 7 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gfh h GLU 7 Cb 0.38 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1gfh h GLU 7 CO 0.03 -0.01 0.40 1.25 -0.73 0.00 0.00 179.01 179.94 1gfh h LEU 8 N -0.04 0.80 -0.41 1.64 5.85 -0.68 -1.61 115.31 120.85 1gfh h LEU 8 Ca -0.00 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1gfh h LEU 8 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1gfh h LEU 8 CO 0.01 0.63 0.18 0.00 -0.34 0.00 0.00 178.44 178.91 1gfh h ALA 9 N 1.20 0.49 -0.42 1.25 0.00 -1.07 0.32 119.26 121.04 1gfh h ALA 9 Ca 0.24 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1gfh h ALA 9 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gfh h ALA 9 CO -0.04 -0.20 -0.15 0.00 0.00 0.00 0.00 179.25 178.86 1gfh h ARG 10 N 0.36 0.77 -0.43 0.00 3.08 -1.18 -1.36 114.38 115.63 1gfh h ARG 10 Ca 0.18 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1gfh h ARG 10 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1gfh h ARG 10 CO -0.15 0.88 0.16 1.15 -1.07 0.00 0.00 179.97 180.93 1gfh h THR 11 N 0.69 1.21 -0.65 2.04 2.02 -0.59 -1.13 112.91 116.49 1gfh h THR 11 Ca 0.11 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1gfh h THR 11 Cb 0.64 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1gfh h THR 11 CO 0.04 0.24 0.16 -0.07 0.37 0.00 0.00 175.52 176.26 1gfh h LEU 12 N 0.55 0.97 -0.46 2.58 3.38 -0.81 -2.07 115.31 119.45 1gfh h LEU 12 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1gfh h LEU 12 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1gfh h LEU 12 CO -0.01 0.93 0.12 0.50 0.09 0.00 0.00 178.44 180.08 1gfh h LYS 13 N 0.98 0.73 -0.19 1.13 3.64 -0.95 -1.97 116.57 119.95 1gfh h LYS 13 Ca 0.21 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1gfh h LYS 13 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1gfh h LYS 13 CO 0.00 0.72 0.04 -0.09 -2.27 0.00 0.00 179.45 177.85 1gfh h ARG 14 N 0.61 0.26 -0.02 1.90 2.43 -1.02 -1.63 114.38 116.92 1gfh h ARG 14 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1gfh h ARG 14 Cb 0.31 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1gfh h ARG 14 CO 0.00 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 1gfh n LEU 15 N -4.42 0.48 0.00 3.80 4.77 -0.80 -4.93 117.00 115.90 1gfh n LEU 15 Ca -0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1gfh n LEU 15 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1gfh n LEU 15 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1gfh n GLY 16 N 1.01 0.42 0.08 -0.72 0.00 -0.61 -4.97 105.19 100.39 1gfh n GLY 16 Ca 0.20 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1gfh n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfh h MET 17 N 0.00 0.00 -6.01 1.61 2.86 -1.54 -3.40 114.93 108.44 1gfh h MET 17 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1gfh h MET 17 Cb 0.75 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1gfh h MET 17 CO 0.00 0.00 1.39 0.34 1.06 0.00 0.00 176.91 179.70 1gfh s ASP 18 N -4.52 5.33 0.00 1.22 2.15 -1.26 -2.30 116.67 117.29 1gfh s ASP 18 Ca 0.04 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.92 1gfh s ASP 18 Cb 0.12 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1gfh s ASP 18 CO 0.75 -2.22 0.00 0.61 -0.17 0.00 0.00 175.17 174.14 1gfh n GLY 19 N 5.67 0.49 3.69 2.66 0.00 0.20 -4.89 105.19 113.00 1gfh n GLY 19 Ca 0.25 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1gfh n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gfh n TYR 20 N -3.00 2.62 -3.80 1.61 9.36 -0.97 -1.17 117.16 121.80 1gfh n TYR 20 Ca 0.00 -0.17 -0.30 0.00 3.32 0.00 0.00 57.90 60.75 1gfh n TYR 20 Cb 0.00 -2.74 -0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1gfh n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gfh n ARG 21 N 5.81 -3.79 -0.99 2.98 5.12 -1.26 -1.38 116.66 123.16 1gfh n ARG 21 Ca 0.18 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1gfh n ARG 21 Cb 0.38 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 1gfh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfh n GLY 22 N -1.36 0.65 3.55 -0.13 0.00 -0.32 -5.00 105.19 102.59 1gfh n GLY 22 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1gfh n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfh s ILE 23 N -2.68 5.16 0.67 -0.61 1.01 -0.48 -4.90 121.20 119.37 1gfh s ILE 23 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 1gfh s ILE 23 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1gfh s ILE 23 CO 0.00 -0.07 1.17 -0.94 0.00 0.00 0.00 174.94 175.10 1gfh s SER 24 N 1.73 4.78 0.28 3.58 1.04 -1.26 -0.63 113.70 123.21 1gfh s SER 24 Ca 0.13 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1gfh s SER 24 Cb -0.16 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 63.90 1gfh s SER 24 CO 0.12 -1.86 1.84 0.25 0.98 0.00 0.00 173.24 174.57 1gfh h LEU 25 N 0.11 0.94 -1.87 2.42 5.85 -1.90 -0.80 115.31 120.06 1gfh h LEU 25 Ca -0.48 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1gfh h LEU 25 Cb 1.28 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1gfh h LEU 25 CO 0.53 0.52 -0.09 0.00 -0.34 0.00 0.00 178.44 179.06 1gfh h ALA 26 N 1.52 1.77 -0.19 1.25 0.00 -1.91 0.28 119.26 121.98 1gfh h ALA 26 Ca 0.48 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1gfh h ALA 26 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gfh h ALA 26 CO -0.25 0.11 -0.35 -0.91 0.00 0.00 0.00 179.25 177.86 1gfh h ASN 27 N 0.00 0.64 -0.61 0.00 2.35 -1.47 -0.93 115.58 115.55 1gfh h ASN 27 Ca -0.00 -0.54 -0.05 0.00 -0.55 0.00 0.00 56.30 55.16 1gfh h ASN 27 Cb 0.17 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1gfh h ASN 27 CO 0.01 1.06 0.21 -0.50 -1.65 0.00 0.00 177.43 176.56 1gfh h TRP 28 N 0.24 0.99 -0.25 1.19 4.06 -1.03 0.13 115.95 121.27 1gfh h TRP 28 Ca 0.01 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 1gfh h TRP 28 Cb 0.94 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 1gfh h TRP 28 CO 0.09 0.79 0.08 0.52 -3.56 0.00 0.00 178.44 176.36 1gfh h MET 29 N 0.94 0.40 -0.91 0.49 2.86 -0.87 -0.96 114.93 116.87 1gfh h MET 29 Ca 0.21 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1gfh h MET 29 Cb 0.25 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1gfh h MET 29 CO -0.01 0.47 0.60 0.00 1.06 0.00 0.00 176.91 179.03 1gfh h LEU 31 N 1.24 -0.34 -1.01 0.00 5.85 -0.73 -2.20 115.31 118.13 1gfh h LEU 31 Ca 0.33 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1gfh h LEU 31 Cb -0.14 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1gfh h LEU 31 CO -0.07 -0.18 0.67 0.00 -0.34 0.00 0.00 178.44 178.52 1gfh h ALA 32 N 0.21 1.29 0.26 1.25 0.00 -0.89 0.26 119.26 121.64 1gfh h ALA 32 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gfh h ALA 32 Cb 0.36 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gfh h ALA 32 CO 0.07 0.66 -0.23 -0.22 0.00 0.00 0.00 179.25 179.53 1gfh h LYS 33 N 1.36 -0.49 0.00 0.00 1.63 -0.87 -1.72 116.57 116.48 1gfh h LYS 33 Ca 0.37 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 60.04 1gfh h LYS 33 Cb -0.15 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1gfh h LYS 33 CO -0.08 -0.33 -0.78 -1.49 -3.45 0.00 0.00 179.45 173.32 1gfh h TRP 34 N -0.51 0.00 -0.21 1.91 4.06 -1.20 0.24 115.95 120.24 1gfh h TRP 34 Ca -0.01 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 1gfh h TRP 34 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1gfh h TRP 34 CO -0.14 0.78 -0.58 0.93 -3.56 0.00 0.00 178.44 175.86 1gfh h GLU 35 N 0.00 0.76 0.00 0.49 4.39 -0.93 -3.42 114.58 115.87 1gfh h GLU 35 Ca -0.01 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1gfh h GLU 35 Cb 1.42 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1gfh h GLU 35 CO 0.10 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1gfh n SER 36 N -4.06 0.00 -0.91 1.42 3.41 -0.69 -4.82 113.62 107.97 1gfh n SER 36 Ca -0.06 -0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 57.96 1gfh n SER 36 Cb 0.64 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1gfh n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfh n GLY 37 N 0.00 0.10 2.76 5.00 0.00 0.07 -3.05 105.19 110.07 1gfh n GLY 37 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1gfh n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfh n TYR 38 N -3.95 -1.56 -3.74 1.61 0.53 -1.16 -4.76 117.16 104.13 1gfh n TYR 38 Ca -0.08 0.40 -0.37 0.00 -1.02 0.00 0.00 57.90 56.83 1gfh n TYR 38 Cb 0.56 -3.87 -0.12 0.00 -1.03 0.00 0.00 39.34 34.88 1gfh n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfh s ASN 39 N -2.72 5.19 0.27 7.72 2.47 -1.17 -0.49 114.94 126.21 1gfh s ASN 39 Ca 0.23 -0.61 0.25 0.00 0.42 0.00 0.00 52.86 53.15 1gfh s ASN 39 Cb -0.10 -1.91 0.92 0.00 -1.45 0.00 0.00 41.25 38.71 1gfh s ASN 39 CO 0.29 -0.17 1.75 0.71 -3.72 0.00 0.00 177.10 175.96 1gfh h THR 40 N 5.79 0.00 0.00 -5.21 1.35 -1.47 -2.98 112.91 110.39 1gfh h THR 40 Ca -0.32 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1gfh h THR 40 Cb 1.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1gfh h THR 40 CO 0.60 0.00 -0.85 0.54 -0.25 0.00 0.00 175.52 175.57 1gfh n ARG 41 N -2.34 0.10 -1.64 4.72 1.74 -1.26 -4.09 116.66 113.89 1gfh n ARG 41 Ca 0.03 -0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.66 1gfh n ARG 41 Cb 0.32 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1gfh n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfh n ALA 42 N -1.61 0.42 -2.54 7.54 0.00 -1.17 -4.74 120.51 118.40 1gfh n ALA 42 Ca 0.04 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 1gfh n ALA 42 Cb 0.37 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 1gfh n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gfh s THR 43 N -0.42 0.16 -0.15 0.00 -4.23 -1.26 -0.90 115.64 108.84 1gfh s THR 43 Ca 0.66 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1gfh s THR 43 Cb -0.70 -0.97 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1gfh s THR 43 CO 0.54 -0.73 0.30 0.21 -0.54 0.00 0.00 174.62 174.40 1gfh s ASN 44 N -2.27 0.29 0.04 3.99 2.47 -0.66 -4.96 114.94 113.84 1gfh s ASN 44 Ca -0.03 0.61 -0.23 0.00 0.42 0.00 0.00 52.86 53.63 1gfh s ASN 44 Cb 0.00 0.83 -0.06 0.00 -1.45 0.00 0.00 41.25 40.58 1gfh s ASN 44 CO -0.06 -0.25 0.68 -0.47 -3.72 0.00 0.00 177.10 173.29 1gfh s TYR 45 N 2.46 3.74 -0.68 0.43 6.14 -1.26 -0.25 117.35 127.93 1gfh s TYR 45 Ca 0.02 1.37 -0.08 0.00 0.64 0.00 0.00 57.07 59.01 1gfh s TYR 45 Cb -0.12 -2.70 0.18 0.00 0.42 0.00 0.00 41.96 39.73 1gfh s TYR 45 CO -0.10 0.36 0.56 -0.80 0.64 0.00 0.00 175.55 176.21 1gfh s ASN 46 N -0.33 5.91 0.52 4.32 0.01 0.89 -4.93 114.94 121.32 1gfh s ASN 46 Ca 0.34 -2.65 0.24 0.00 -0.71 0.00 0.00 52.86 50.09 1gfh s ASN 46 Cb -0.20 -2.02 1.35 0.00 0.41 0.00 0.00 41.25 40.80 1gfh s ASN 46 CO 0.21 -0.50 1.98 0.00 -1.51 0.00 0.00 177.10 177.28 1gfh h ALA 47 N 7.54 2.47 -0.34 0.60 0.00 -1.95 -0.39 119.26 127.18 1gfh h ALA 47 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1gfh h ALA 47 Cb 1.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gfh h ALA 47 CO 0.75 -0.64 0.17 0.78 0.00 0.00 0.00 179.25 180.31 1gfh h GLY 48 N 0.06 0.46 -0.01 0.00 0.00 -1.94 -3.32 103.07 98.31 1gfh h GLY 48 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1gfh h GLY 48 CO -0.02 0.09 -0.01 2.09 0.00 0.00 0.00 176.54 178.69 1gfh n ASP 49 N -4.95 1.93 -0.63 0.19 5.75 -1.05 -5.02 116.55 112.77 1gfh n ASP 49 Ca 0.00 -2.16 -0.08 0.00 -0.01 0.00 0.00 54.79 52.54 1gfh n ASP 49 Cb 0.09 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1gfh n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfh n ARG 50 N -0.65 -0.93 -3.73 0.11 5.12 -0.18 -4.84 116.66 111.56 1gfh n ARG 50 Ca 0.03 0.72 -0.21 0.00 -1.93 0.00 0.00 57.85 56.47 1gfh n ARG 50 Cb 0.35 -4.68 -0.03 0.00 -1.16 0.00 0.00 32.46 26.93 1gfh n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1gfh s SER 51 N -2.60 5.30 0.01 0.55 1.04 -1.21 -4.45 113.70 112.34 1gfh s SER 51 Ca 0.00 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1gfh s SER 51 Cb 0.00 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 1gfh s SER 51 CO 0.00 -0.42 -0.11 -0.89 0.98 0.00 0.00 173.24 172.80 1gfh s THR 52 N -2.33 0.85 -0.11 2.02 2.01 -1.26 -0.08 115.64 116.74 1gfh s THR 52 Ca 0.43 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1gfh s THR 52 Cb -0.06 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1gfh s THR 52 CO 0.27 0.10 0.25 -1.81 -0.69 0.00 0.00 174.62 172.74 1gfh s ASP 53 N -0.62 6.49 -0.04 3.53 1.01 0.66 -1.23 116.67 126.47 1gfh s ASP 53 Ca 0.02 0.58 0.05 0.00 0.71 0.00 0.00 52.55 53.91 1gfh s ASP 53 Cb -0.06 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1gfh s ASP 53 CO 0.00 0.27 -0.20 -0.31 0.21 0.00 0.00 175.17 175.15 1gfh s TYR 54 N -0.45 1.88 0.00 4.23 2.02 0.22 -1.65 117.35 123.60 1gfh s TYR 54 Ca 0.17 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1gfh s TYR 54 Cb -0.13 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 1gfh s TYR 54 CO 0.06 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1gfh n GLY 55 N 2.93 -1.40 0.28 0.71 0.00 -0.08 -1.49 105.19 106.15 1gfh n GLY 55 Ca -0.17 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1gfh n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfh h ILE 56 N 0.00 0.54 -0.08 -0.61 2.10 -1.68 -1.33 117.51 116.44 1gfh h ILE 56 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1gfh h ILE 56 Cb 0.00 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1gfh h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1gfh n PHE 57 N -3.75 0.09 -3.86 2.19 0.99 -1.26 -4.09 117.46 107.77 1gfh n PHE 57 Ca -0.02 -0.08 -0.28 0.00 -0.00 0.00 0.00 57.45 57.07 1gfh n PHE 57 Cb 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.62 1gfh n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfh n GLN 58 N 0.75 -2.71 -2.50 -1.08 1.13 -0.50 -4.90 117.38 107.57 1gfh n GLN 58 Ca 0.09 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1gfh n GLN 58 Cb 0.36 -4.39 -0.03 0.00 0.11 0.00 0.00 30.24 26.29 1gfh n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfh s ILE 59 N -3.79 4.27 0.24 5.09 1.01 -0.55 -4.33 121.20 123.14 1gfh s ILE 59 Ca 0.15 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 1gfh s ILE 59 Cb -0.06 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1gfh s ILE 59 CO 0.88 0.11 1.01 0.21 0.00 0.00 0.00 174.94 177.15 1gfh s ASN 60 N 1.10 7.48 0.41 3.58 3.84 -1.26 -0.61 114.94 129.48 1gfh s ASN 60 Ca 0.57 2.06 0.28 0.00 0.21 0.00 0.00 52.86 55.98 1gfh s ASN 60 Cb -0.27 -2.61 0.97 0.00 -0.55 0.00 0.00 41.25 38.79 1gfh s ASN 60 CO 0.28 0.01 1.81 0.77 -2.79 0.00 0.00 177.10 177.18 1gfh h SER 61 N 4.19 0.00 -0.24 -4.21 4.64 -1.43 -2.62 113.55 113.89 1gfh h SER 61 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1gfh h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1gfh h SER 61 CO 0.68 0.00 0.13 -0.09 -0.87 0.00 0.00 176.83 176.68 1gfh h ARG 62 N 0.00 0.36 0.00 4.77 2.43 -1.84 -3.39 114.38 116.72 1gfh h ARG 62 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gfh h ARG 62 Cb 0.62 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1gfh h ARG 62 CO 0.00 0.29 -0.38 0.66 -1.51 0.00 0.00 179.97 179.03 1gfh n TYR 63 N -4.45 0.00 -0.04 2.20 4.01 -1.24 -0.15 117.16 117.49 1gfh n TYR 63 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1gfh n TYR 63 Cb 0.11 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.00 1gfh n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfh n TRP 64 N -0.82 0.75 -4.12 -0.72 7.02 -0.99 -0.72 117.44 117.85 1gfh n TRP 64 Ca 0.00 0.22 -0.09 0.00 -1.02 0.00 0.00 57.50 56.61 1gfh n TRP 64 Cb 0.09 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 27.77 1gfh n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfh s ASN 66 N -3.01 5.32 0.00 0.00 2.47 -0.29 -4.63 114.94 114.80 1gfh s ASN 66 Ca 0.19 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1gfh s ASN 66 Cb 0.07 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1gfh s ASN 66 CO -0.01 0.08 0.78 -0.90 -3.72 0.00 0.00 177.10 173.33 1gfh n ASP 67 N 4.18 1.50 0.00 -4.21 5.75 -1.26 -1.40 116.55 121.11 1gfh n ASP 67 Ca -0.16 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1gfh n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gfh n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gfh n GLY 68 N -0.30 0.24 0.20 6.12 0.00 -1.26 -4.73 105.19 105.46 1gfh n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1gfh n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfh n LYS 69 N -2.00 2.76 -3.67 1.61 2.85 -1.26 -4.96 118.16 113.49 1gfh n LYS 69 Ca 0.00 -1.62 -0.37 0.00 -1.05 0.00 0.00 58.31 55.26 1gfh n LYS 69 Cb 0.00 -1.09 -0.12 0.00 -0.65 0.00 0.00 35.03 33.18 1gfh n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfh s THR 70 N -0.96 4.79 0.37 0.58 2.01 -1.26 -4.91 115.64 116.26 1gfh s THR 70 Ca 0.07 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 1gfh s THR 70 Cb 0.04 -3.29 -0.11 0.00 0.01 0.00 0.00 72.50 69.14 1gfh s THR 70 CO 0.05 0.26 1.31 -2.65 -0.69 0.00 0.00 174.62 172.90 1gfh n PRO 71 N 4.99 2.15 -3.52 4.92 -0.02 -1.26 -2.94 135.00 139.32 1gfh n PRO 71 Ca -0.15 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 1gfh n PRO 71 Cb 0.51 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1gfh n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfh n GLY 72 N 0.73 -0.46 3.91 -1.23 0.00 -1.26 -4.91 105.19 101.97 1gfh n GLY 72 Ca 0.05 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1gfh n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfh s ALA 73 N -2.73 3.11 0.26 4.61 0.00 -1.15 -5.01 121.76 120.83 1gfh s ALA 73 Ca 0.43 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.78 1gfh s ALA 73 Cb -0.24 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1gfh s ALA 73 CO 0.53 -1.11 -0.07 0.71 0.00 0.00 0.00 175.76 175.82 1gfh s TYR 74 N -3.20 1.88 -0.52 0.00 2.02 0.78 -4.98 117.35 113.33 1gfh s TYR 74 Ca 0.57 -0.68 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1gfh s TYR 74 Cb -0.11 -1.03 0.27 0.00 -0.40 0.00 0.00 41.96 40.69 1gfh s TYR 74 CO 0.47 0.28 0.68 -1.71 -1.57 0.00 0.00 175.55 173.70 1gfh n ASN 75 N -0.53 2.23 -0.05 2.29 2.85 -1.19 -3.56 115.26 117.30 1gfh n ASN 75 Ca -0.06 -3.15 0.04 0.00 -0.11 0.00 0.00 54.58 51.31 1gfh n ASN 75 Cb 0.63 -0.64 0.40 0.00 1.24 0.00 0.00 39.78 41.41 1gfh n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gfh h ALA 76 N 3.89 1.70 -0.00 5.20 0.00 -0.96 -0.89 119.26 128.21 1gfh h ALA 76 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gfh h ALA 76 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1gfh h ALA 76 CO 0.66 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 180.11 1gfh n HIS 78 N -1.14 -1.68 -3.90 0.00 -0.00 -0.34 -4.94 115.22 103.22 1gfh n HIS 78 Ca 0.14 0.41 -0.10 0.00 -0.00 0.00 0.00 57.72 58.17 1gfh n HIS 78 Cb 0.26 -3.29 -0.10 0.00 -0.00 0.00 0.00 29.99 26.86 1gfh n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfh s LEU 79 N -6.88 1.70 0.27 2.41 1.43 -1.26 -5.08 118.68 111.27 1gfh s LEU 79 Ca 0.37 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1gfh s LEU 79 Cb -0.16 0.59 -0.09 0.00 0.03 0.00 0.00 46.19 46.56 1gfh s LEU 79 CO 0.90 -0.41 1.03 -0.55 0.23 0.00 0.00 176.35 177.56 1gfh s SER 80 N -1.63 7.42 0.62 2.29 0.15 -1.26 -1.13 113.70 120.15 1gfh s SER 80 Ca -0.12 2.13 0.30 0.00 0.70 0.00 0.00 55.95 58.96 1gfh s SER 80 Cb -0.06 -2.62 1.60 0.00 -1.71 0.00 0.00 66.02 63.23 1gfh s SER 80 CO -0.01 -0.02 1.97 0.00 1.20 0.00 0.00 173.24 176.38 1gfh h SER 82 N 0.00 0.95 -0.04 0.00 0.87 -1.90 -0.66 113.55 112.76 1gfh h SER 82 Ca 0.11 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1gfh h SER 82 Cb 0.81 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1gfh h SER 82 CO -0.00 0.55 0.15 0.00 -0.53 0.00 0.00 176.83 177.00 1gfh h ALA 83 N 1.50 1.31 -0.22 6.23 0.00 -1.21 -0.36 119.26 126.52 1gfh h ALA 83 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1gfh h ALA 83 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1gfh h ALA 83 CO -0.23 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1gfh n LEU 84 N -3.22 1.68 -0.23 0.00 4.77 -0.26 -3.71 117.00 116.04 1gfh n LEU 84 Ca -0.02 -0.75 0.02 0.00 -0.03 0.00 0.00 56.01 55.23 1gfh n LEU 84 Cb 0.23 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1gfh n LEU 84 CO 0.20 0.38 0.55 0.18 -1.33 0.00 0.00 177.39 177.36 1gfh n LEU 85 N 0.35 2.33 -4.86 2.23 4.77 -0.14 -3.15 117.00 118.54 1gfh n LEU 85 Ca 0.15 -2.01 -0.31 0.00 -0.03 0.00 0.00 56.01 53.80 1gfh n LEU 85 Cb 0.31 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1gfh n LEU 85 CO 0.11 0.58 0.71 -1.10 -1.33 0.00 0.00 177.39 176.37 1gfh s GLN 86 N -1.02 3.57 0.20 3.23 -0.21 -1.24 -4.53 119.66 119.66 1gfh s GLN 86 Ca 0.09 0.84 -0.01 0.00 0.02 0.00 0.00 55.36 56.29 1gfh s GLN 86 Cb 0.05 -2.08 0.15 0.00 1.00 0.00 0.00 33.01 32.13 1gfh s GLN 86 CO 0.06 -0.59 1.52 -0.44 -2.12 0.00 0.00 175.29 173.71 1gfh h ASP 87 N -0.10 0.50 -3.37 5.90 5.19 -1.94 -3.40 116.42 119.20 1gfh h ASP 87 Ca -0.45 -0.28 -0.59 0.00 -0.62 0.00 0.00 57.03 55.10 1gfh h ASP 87 Cb 1.19 -0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 1gfh h ASP 87 CO 0.61 0.97 0.68 0.21 -3.12 0.00 0.00 179.24 178.59 1gfh s ASN 88 N -6.92 6.82 -0.01 6.45 3.84 -1.26 -4.91 114.94 118.95 1gfh s ASN 88 Ca -0.06 0.87 0.07 0.00 0.21 0.00 0.00 52.86 53.95 1gfh s ASN 88 Cb 0.11 -2.49 0.22 0.00 -0.55 0.00 0.00 41.25 38.54 1gfh s ASN 88 CO 0.83 -0.79 1.14 2.30 -2.79 0.00 0.00 177.10 177.78 1gfh n ILE 89 N 5.77 0.39 -0.18 -5.21 -5.35 -1.26 -4.39 119.36 109.14 1gfh n ILE 89 Ca 0.09 -0.33 -0.01 0.00 -0.27 0.00 0.00 62.75 62.22 1gfh n ILE 89 Cb 0.47 0.08 0.09 0.00 -1.74 0.00 0.00 39.64 38.54 1gfh n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfh h ALA 90 N 3.33 0.65 -0.52 -1.28 0.00 -1.94 0.15 119.26 119.65 1gfh h ALA 90 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1gfh h ALA 90 Cb 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1gfh h ALA 90 CO 0.02 -0.27 -0.04 -0.44 0.00 0.00 0.00 179.25 178.53 1gfh h ASP 91 N 0.30 0.94 -0.62 0.00 3.45 -1.85 -1.20 116.42 117.44 1gfh h ASP 91 Ca 0.28 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1gfh h ASP 91 Cb 0.36 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1gfh h ASP 91 CO -0.33 1.04 0.29 0.00 -1.57 0.00 0.00 179.24 178.67 1gfh h ALA 92 N 0.93 1.30 -0.42 3.45 0.00 -1.64 0.48 119.26 123.35 1gfh h ALA 92 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1gfh h ALA 92 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1gfh h ALA 92 CO 0.03 0.54 -0.02 0.28 0.00 0.00 0.00 179.25 180.08 1gfh h VAL 93 N 0.92 1.26 -0.82 0.00 2.07 -0.73 0.25 116.25 119.20 1gfh h VAL 93 Ca 0.22 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1gfh h VAL 93 Cb 0.13 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1gfh h VAL 93 CO -0.03 0.36 0.53 0.00 0.02 0.00 0.00 177.57 178.45 1gfh h ALA 94 N 0.89 1.07 -0.28 1.67 0.00 -0.57 -0.71 119.26 121.32 1gfh h ALA 94 Ca 0.12 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1gfh h ALA 94 Cb 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1gfh h ALA 94 CO 0.03 0.37 -0.33 0.00 0.00 0.00 0.00 179.25 179.31 1gfh h ALA 96 N 0.69 1.41 -0.54 0.00 0.00 0.06 0.08 119.26 120.96 1gfh h ALA 96 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gfh h ALA 96 Cb 0.91 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gfh h ALA 96 CO 0.08 0.51 0.18 0.87 0.00 0.00 0.00 179.25 180.89 1gfh h LYS 97 N 0.99 0.83 -0.40 0.00 1.57 -1.07 -1.95 116.57 116.54 1gfh h LYS 97 Ca 0.26 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1gfh h LYS 97 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1gfh h LYS 97 CO -0.05 0.75 0.22 -0.09 -0.57 0.00 0.00 179.45 179.71 1gfh h ARG 98 N 0.75 0.43 -0.10 3.15 9.65 -0.74 -2.23 114.38 125.28 1gfh h ARG 98 Ca 0.18 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1gfh h ARG 98 Cb 0.25 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 1gfh h ARG 98 CO -0.01 0.28 -0.23 0.28 2.80 0.00 0.00 179.97 183.10 1gfh h VAL 99 N 0.44 0.45 0.00 0.20 2.07 -0.68 -2.27 116.25 116.46 1gfh h VAL 99 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gfh h VAL 99 Cb 0.04 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1gfh h VAL 99 CO -0.10 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.82 1gfh n VAL 100 N -5.36 0.14 0.60 2.57 0.24 -0.76 -2.21 118.33 113.55 1gfh n VAL 100 Ca -0.03 0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1gfh n VAL 100 Cb 0.27 -0.67 0.43 0.00 -1.47 0.00 0.00 33.84 32.40 1gfh n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gfh n ARG 101 N -1.13 0.24 -1.86 7.34 1.74 -0.85 -4.18 116.66 117.95 1gfh n ARG 101 Ca 0.14 0.24 -0.31 0.00 -0.77 0.00 0.00 57.85 57.16 1gfh n ARG 101 Cb 0.12 -1.80 0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1gfh n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gfh s ASP 102 N -4.41 6.08 0.27 0.55 -0.00 -0.94 -4.96 116.67 113.26 1gfh s ASP 102 Ca 0.10 1.38 -0.07 0.00 -0.00 0.00 0.00 52.55 53.96 1gfh s ASP 102 Cb 0.12 -2.39 0.46 0.00 -0.00 0.00 0.00 42.92 41.11 1gfh s ASP 102 CO 0.56 -0.96 1.58 1.55 -0.00 0.00 0.00 175.17 177.90 1gfh h PRO 103 N -0.38 0.01 -0.28 8.23 0.13 -1.88 -1.49 132.00 136.34 1gfh h PRO 103 Ca -0.44 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1gfh h PRO 103 Cb 1.20 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1gfh h PRO 103 CO 0.62 0.01 0.20 1.96 -0.23 0.00 0.00 178.00 180.56 1gfh h GLN 104 N 0.01 0.11 0.00 0.86 4.20 -1.91 -3.47 115.11 114.91 1gfh h GLN 104 Ca 0.46 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1gfh h GLN 104 Cb 0.76 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1gfh h GLN 104 CO -0.91 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 177.74 1gfh n GLY 105 N -1.56 2.41 0.33 3.46 0.00 -0.56 -1.96 105.19 107.30 1gfh n GLY 105 Ca 0.03 -0.49 0.22 0.00 0.00 0.00 0.00 46.02 45.78 1gfh n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfh h ILE 106 N 0.00 0.03 0.00 -0.61 6.09 -1.91 -1.96 117.51 119.15 1gfh h ILE 106 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1gfh h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1gfh h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gfh n ARG 107 N -3.12 0.06 -0.10 2.19 1.74 -0.83 -2.96 116.66 113.65 1gfh n ARG 107 Ca -0.02 0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 1gfh n ARG 107 Cb 0.11 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.52 1gfh n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfh h ALA 108 N 2.41 1.95 -2.63 7.54 0.00 -1.51 -3.38 119.26 123.63 1gfh h ALA 108 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1gfh h ALA 108 Cb 0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.69 1gfh h ALA 108 CO 0.00 -0.08 -0.12 -1.58 0.00 0.00 0.00 179.25 177.47 1gfh s TRP 109 N -5.45 3.25 0.35 0.00 0.51 -1.15 -4.97 118.94 111.48 1gfh s TRP 109 Ca -0.08 0.47 0.05 0.00 -2.12 0.00 0.00 56.10 54.42 1gfh s TRP 109 Cb 0.20 -2.68 0.64 0.00 -0.81 0.00 0.00 33.47 30.82 1gfh s TRP 109 CO 0.75 -0.29 1.90 0.28 -0.51 0.00 0.00 176.95 179.09 1gfh h VAL 110 N 5.42 1.18 0.00 4.03 2.07 -1.90 -1.86 116.25 125.19 1gfh h VAL 110 Ca -0.30 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1gfh h VAL 110 Cb 1.15 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1gfh h VAL 110 CO 0.69 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 178.48 1gfh h ALA 111 N 1.54 1.86 -0.18 1.67 0.00 -1.95 -0.13 119.26 122.07 1gfh h ALA 111 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1gfh h ALA 111 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gfh h ALA 111 CO 0.00 0.05 -0.30 2.35 0.00 0.00 0.00 179.25 181.34 1gfh h TRP 112 N 0.00 0.65 -0.75 0.00 7.01 -1.67 -0.25 115.95 120.95 1gfh h TRP 112 Ca -0.00 -0.23 0.02 0.00 2.11 0.00 0.00 58.89 60.79 1gfh h TRP 112 Cb 0.07 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 1gfh h TRP 112 CO 0.00 0.94 0.49 0.00 -2.79 0.00 0.00 178.44 177.08 1gfh h ARG 113 N 0.18 0.96 -0.32 2.65 3.08 -1.20 0.96 114.38 120.68 1gfh h ARG 113 Ca 0.01 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1gfh h ARG 113 Cb 0.89 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1gfh h ARG 113 CO 0.07 0.63 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.20 1gfh h ASN 114 N 0.99 0.98 0.00 7.04 2.35 -0.96 -3.34 115.58 122.63 1gfh h ASN 114 Ca 0.28 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1gfh h ASN 114 Cb -0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.02 1gfh h ASN 114 CO -0.08 1.30 -0.43 0.54 -1.65 0.00 0.00 177.43 177.12 1gfh n ARG 115 N -4.04 4.16 0.00 0.81 5.12 -0.11 -4.85 116.66 117.75 1gfh n ARG 115 Ca -0.04 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1gfh n ARG 115 Cb 0.60 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1gfh n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gfh n GLN 117 N -2.50 2.02 -1.62 0.00 7.27 -0.21 -1.87 117.38 120.47 1gfh n GLN 117 Ca 0.00 0.73 -0.19 0.00 0.07 0.00 0.00 57.00 57.61 1gfh n GLN 117 Cb 0.44 -2.48 -0.08 0.00 2.41 0.00 0.00 30.24 30.54 1gfh n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gfh n ASN 118 N 3.26 -5.34 -4.69 1.69 5.03 -1.26 -4.96 115.26 108.99 1gfh n ASN 118 Ca 0.17 0.44 -0.23 0.00 0.87 0.00 0.00 54.58 55.83 1gfh n ASN 118 Cb 0.28 -4.52 -0.07 0.00 -1.02 0.00 0.00 39.78 34.45 1gfh n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfh s ARG 119 N -3.74 2.36 -0.69 3.52 0.52 -0.78 -5.07 118.95 115.07 1gfh s ARG 119 Ca 0.00 -1.46 -0.25 0.00 -0.52 0.00 0.00 55.73 53.50 1gfh s ARG 119 Cb 0.00 -2.18 0.05 0.00 0.52 0.00 0.00 34.95 33.34 1gfh s ARG 119 CO 0.00 0.25 1.12 0.34 0.02 0.00 0.00 175.30 177.03 1gfh s ASP 120 N -3.76 6.18 0.00 0.23 -1.08 -1.26 -4.83 116.67 112.14 1gfh s ASP 120 Ca 0.34 -0.69 0.23 0.00 -0.52 0.00 0.00 52.55 51.90 1gfh s ASP 120 Cb -0.05 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 1gfh s ASP 120 CO 0.21 -1.63 1.48 1.33 0.52 0.00 0.00 175.17 177.09 1gfh n VAL 121 N 6.16 0.83 -0.07 1.11 0.24 -1.26 -4.49 118.33 120.85 1gfh n VAL 121 Ca -0.00 -0.91 0.11 0.00 -2.04 0.00 0.00 64.34 61.50 1gfh n VAL 121 Cb 0.47 0.67 0.50 0.00 -1.47 0.00 0.00 33.84 34.01 1gfh n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfh h ARG 122 N 4.30 0.39 -0.27 7.34 3.08 -1.92 -1.77 114.38 125.54 1gfh h ARG 122 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1gfh h ARG 122 Cb 0.98 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1gfh h ARG 122 CO 0.00 0.26 0.23 -0.56 -1.07 0.00 0.00 179.97 178.83 1gfh h GLN 123 N 0.41 0.00 -0.27 0.04 3.07 -1.98 -2.49 115.11 113.88 1gfh h GLN 123 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.95 1gfh h GLN 123 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.04 1gfh h GLN 123 CO -0.07 0.00 -0.07 1.88 0.09 0.00 0.00 178.83 180.66 1gfh h TYR 124 N 0.00 0.45 -0.20 0.06 0.05 -1.66 -3.13 116.97 112.54 1gfh h TYR 124 Ca 0.13 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1gfh h TYR 124 Cb 0.58 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1gfh h TYR 124 CO 0.00 0.50 0.00 1.33 -1.05 0.00 0.00 178.16 178.94 1gfh n VAL 125 N -4.26 0.37 -1.86 -2.88 0.24 -0.95 -4.83 118.33 104.17 1gfh n VAL 125 Ca 0.01 -0.69 -0.42 0.00 -2.04 0.00 0.00 64.34 61.20 1gfh n VAL 125 Cb 0.27 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 1gfh n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfh s GLN 126 N -1.23 4.18 0.00 7.34 -1.52 -1.16 -2.44 119.66 124.82 1gfh s GLN 126 Ca 0.25 2.42 0.00 0.00 -1.95 0.00 0.00 55.36 56.08 1gfh s GLN 126 Cb 0.15 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 1gfh s GLN 126 CO 0.22 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.92 1gfh n GLY 127 N 4.02 1.01 0.01 3.09 0.00 -1.26 -4.90 105.19 107.14 1gfh n GLY 127 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1gfh n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfh n GLY 129 N 1.49 0.20 0.28 0.00 0.00 -1.26 -4.79 105.19 101.10 1gfh n GLY 129 Ca 0.07 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1gfh n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65