#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf8 s SER 2 N 0.00 4.68 0.44 -5.58 0.01 -1.26 -1.07 113.70 110.92 1gf8 s SER 2 Ca 0.00 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.79 1gf8 s SER 2 Cb 0.00 -1.81 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 1gf8 s SER 2 CO 0.00 0.02 0.94 -0.36 0.41 0.00 0.00 173.24 174.24 1gf8 s PHE 3 N 1.28 3.34 0.37 2.43 0.08 -0.21 -5.00 117.98 120.28 1gf8 s PHE 3 Ca 0.04 1.54 -0.16 0.00 0.12 0.00 0.00 56.93 58.47 1gf8 s PHE 3 Cb -0.15 -2.81 -0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1gf8 s PHE 3 CO 0.01 -0.14 0.81 -1.21 -0.10 0.00 0.00 175.22 174.58 1gf8 s GLU 4 N -3.34 4.02 0.05 0.44 0.41 -1.26 -4.87 118.70 114.14 1gf8 s GLU 4 Ca 0.61 0.77 -0.12 0.00 -0.41 0.00 0.00 54.97 55.82 1gf8 s GLU 4 Cb -0.09 -2.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 1gf8 s GLU 4 CO 0.17 0.05 1.19 -0.09 -0.49 0.00 0.00 175.26 176.10 1gf8 h ARG 5 N 1.93 -0.13 -0.01 1.61 2.43 -1.97 -0.60 114.38 117.64 1gf8 h ARG 5 Ca -0.48 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1gf8 h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1gf8 h ARG 5 CO 0.64 -0.09 -0.23 0.00 -1.51 0.00 0.00 179.97 178.78 1gf8 h GLU 7 N 0.01 -0.05 -0.58 0.00 4.81 -1.85 -1.03 114.58 115.89 1gf8 h GLU 7 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1gf8 h GLU 7 Cb 0.41 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1gf8 h GLU 7 CO 0.03 -0.03 0.24 1.25 -0.73 0.00 0.00 179.01 179.77 1gf8 h LEU 8 N -0.05 0.80 -0.48 1.64 5.85 -0.49 -1.22 115.31 121.36 1gf8 h LEU 8 Ca -0.01 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1gf8 h LEU 8 Cb 0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1gf8 h LEU 8 CO 0.01 0.74 0.17 0.00 -0.34 0.00 0.00 178.44 179.02 1gf8 h ALA 9 N 1.08 0.58 -0.18 1.25 0.00 -0.84 0.28 119.26 121.44 1gf8 h ALA 9 Ca 0.19 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1gf8 h ALA 9 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1gf8 h ALA 9 CO -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 179.25 178.60 1gf8 h ARG 10 N 0.35 0.41 -0.48 0.00 3.08 -1.10 -1.49 114.38 115.15 1gf8 h ARG 10 Ca 0.23 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1gf8 h ARG 10 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1gf8 h ARG 10 CO -0.23 0.76 0.20 1.15 -1.07 0.00 0.00 179.97 180.78 1gf8 h THR 11 N 0.34 1.21 -0.38 2.04 2.02 -0.15 -0.70 112.91 117.28 1gf8 h THR 11 Ca 0.03 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 1gf8 h THR 11 Cb 0.88 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1gf8 h THR 11 CO 0.07 0.24 -0.24 -0.07 0.37 0.00 0.00 175.52 175.89 1gf8 h LEU 12 N 0.64 0.79 -0.25 2.58 3.38 -0.28 -2.32 115.31 119.84 1gf8 h LEU 12 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1gf8 h LEU 12 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1gf8 h LEU 12 CO -0.01 1.00 0.08 0.50 0.09 0.00 0.00 178.44 180.09 1gf8 h LYS 13 N 0.67 0.39 0.00 1.13 3.64 -1.06 -1.80 116.57 119.54 1gf8 h LYS 13 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1gf8 h LYS 13 Cb 0.75 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1gf8 h LYS 13 CO 0.06 0.47 -0.05 0.00 -2.27 0.00 0.00 179.45 177.66 1gf8 h ARG 14 N 0.24 0.00 -0.12 1.90 3.08 -1.04 -1.00 114.38 117.43 1gf8 h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1gf8 h ARG 14 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1gf8 h ARG 14 CO -0.00 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 1gf8 n LEU 15 N -4.27 0.95 -0.00 3.04 4.77 -0.88 -4.91 117.00 115.69 1gf8 n LEU 15 Ca -0.03 -0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1gf8 n LEU 15 Cb 0.13 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1gf8 n LEU 15 CO 0.33 0.21 -0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1gf8 n GLY 16 N 0.92 0.37 0.10 -0.72 0.00 -0.38 -4.98 105.19 100.51 1gf8 n GLY 16 Ca 0.12 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1gf8 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf8 h MET 17 N 0.00 0.00 -5.92 1.61 2.86 -1.50 -3.41 114.93 108.58 1gf8 h MET 17 Ca -0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1gf8 h MET 17 Cb 0.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1gf8 h MET 17 CO 0.00 0.00 1.42 0.34 1.06 0.00 0.00 176.91 179.74 1gf8 s ASP 18 N -4.98 5.12 0.00 1.22 -1.08 -1.26 -2.13 116.67 113.56 1gf8 s ASP 18 Ca 0.03 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1gf8 s ASP 18 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1gf8 s ASP 18 CO 0.75 -2.43 0.00 0.61 0.52 0.00 0.00 175.17 174.62 1gf8 n GLY 19 N 5.75 0.65 3.68 2.66 0.00 0.12 -4.89 105.19 113.17 1gf8 n GLY 19 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1gf8 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gf8 n TYR 20 N -2.69 2.55 -4.01 1.61 9.36 -0.90 -0.74 117.16 122.35 1gf8 n TYR 20 Ca 0.00 -0.23 -0.33 0.00 3.32 0.00 0.00 57.90 60.66 1gf8 n TYR 20 Cb 0.00 -2.76 -0.01 0.00 -0.63 0.00 0.00 39.34 35.95 1gf8 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gf8 n ARG 21 N 6.49 -3.99 -0.98 2.98 5.12 -1.26 -1.33 116.66 123.68 1gf8 n ARG 21 Ca 0.19 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1gf8 n ARG 21 Cb 0.38 -5.25 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 1gf8 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf8 n GLY 22 N -1.46 0.46 3.57 -0.13 0.00 0.09 -5.00 105.19 102.72 1gf8 n GLY 22 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1gf8 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf8 s ILE 23 N -2.03 5.25 0.67 -0.61 1.01 -0.44 -4.88 121.20 120.16 1gf8 s ILE 23 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 1gf8 s ILE 23 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1gf8 s ILE 23 CO 0.00 0.11 1.13 -0.94 0.00 0.00 0.00 174.94 175.24 1gf8 s SER 24 N 1.72 4.92 0.30 3.58 1.04 -1.26 0.16 113.70 124.15 1gf8 s SER 24 Ca 0.09 2.07 0.01 0.00 0.48 0.00 0.00 55.95 58.61 1gf8 s SER 24 Cb -0.16 -2.56 0.55 0.00 0.10 0.00 0.00 66.02 63.95 1gf8 s SER 24 CO 0.11 -1.76 1.88 0.25 0.98 0.00 0.00 173.24 174.70 1gf8 h LEU 25 N -0.04 0.91 -1.52 2.42 5.85 -1.90 -0.89 115.31 120.13 1gf8 h LEU 25 Ca -0.47 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1gf8 h LEU 25 Cb 1.26 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1gf8 h LEU 25 CO 0.53 0.54 0.37 0.00 -0.34 0.00 0.00 178.44 179.55 1gf8 h ALA 26 N 1.52 1.75 -0.31 1.25 0.00 -1.91 0.69 119.26 122.25 1gf8 h ALA 26 Ca 0.43 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 1gf8 h ALA 26 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gf8 h ALA 26 CO -0.19 0.18 -0.51 -0.91 0.00 0.00 0.00 179.25 177.83 1gf8 h ASN 27 N 0.62 0.96 -0.65 0.00 2.35 -1.50 -1.30 115.58 116.05 1gf8 h ASN 27 Ca 0.23 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1gf8 h ASN 27 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1gf8 h ASN 27 CO -0.06 1.29 0.11 -0.50 -1.65 0.00 0.00 177.43 176.61 1gf8 h TRP 28 N 0.68 1.14 -0.06 1.19 -0.00 -1.06 -0.67 115.95 117.17 1gf8 h TRP 28 Ca 0.03 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1gf8 h TRP 28 Cb 1.11 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 29.95 1gf8 h TRP 28 CO 0.07 0.96 0.03 0.52 -0.00 0.00 0.00 178.44 180.02 1gf8 h MET 29 N 0.99 0.08 -0.92 0.49 2.86 -0.81 -1.10 114.93 116.53 1gf8 h MET 29 Ca 0.20 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1gf8 h MET 29 Cb 0.43 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1gf8 h MET 29 CO 0.01 0.19 0.60 0.00 1.06 0.00 0.00 176.91 178.77 1gf8 h LEU 31 N 1.12 -0.24 -0.99 0.00 5.85 -0.76 -2.24 115.31 118.05 1gf8 h LEU 31 Ca 0.37 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1gf8 h LEU 31 Cb 0.07 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1gf8 h LEU 31 CO -0.12 -0.03 0.65 0.00 -0.34 0.00 0.00 178.44 178.59 1gf8 h ALA 32 N 0.31 1.30 0.39 1.25 0.00 -0.82 -0.41 119.26 121.28 1gf8 h ALA 32 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gf8 h ALA 32 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gf8 h ALA 32 CO 0.05 0.55 -0.31 -0.22 0.00 0.00 0.00 179.25 179.33 1gf8 h LYS 33 N 1.26 -0.67 0.00 0.00 1.63 -0.90 -1.48 116.57 116.42 1gf8 h LYS 33 Ca 0.39 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.21 1gf8 h LYS 33 Cb -0.03 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1gf8 h LYS 33 CO -0.12 -0.45 -0.11 -1.49 -3.45 0.00 0.00 179.45 173.83 1gf8 h TRP 34 N -0.70 0.00 0.19 1.91 4.06 -1.24 0.10 115.95 120.27 1gf8 h TRP 34 Ca -0.03 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.65 1gf8 h TRP 34 Cb 0.61 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1gf8 h TRP 34 CO -0.15 0.11 -1.23 0.93 -3.56 0.00 0.00 178.44 174.54 1gf8 h GLU 35 N 0.00 0.39 0.00 0.49 4.39 -1.00 -3.43 114.58 115.42 1gf8 h GLU 35 Ca -0.00 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1gf8 h GLU 35 Cb 0.88 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1gf8 h GLU 35 CO 0.01 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.06 1gf8 n SER 36 N -3.90 0.00 -1.56 1.42 3.41 -0.60 -4.82 113.62 107.57 1gf8 n SER 36 Ca -0.18 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.30 1gf8 n SER 36 Cb 0.96 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.91 1gf8 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf8 n GLY 37 N 0.00 -0.20 2.25 5.00 0.00 0.35 -2.39 105.19 110.21 1gf8 n GLY 37 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1gf8 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf8 n TYR 38 N -4.01 -0.53 -3.95 1.61 0.53 -1.12 -4.75 117.16 104.93 1gf8 n TYR 38 Ca -0.16 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.36 1gf8 n TYR 38 Cb 0.62 -2.72 -0.12 0.00 -1.03 0.00 0.00 39.34 36.09 1gf8 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf8 s ASN 39 N -2.48 5.06 0.53 7.72 2.47 -1.00 -1.05 114.94 126.18 1gf8 s ASN 39 Ca 0.00 -0.16 0.33 0.00 0.42 0.00 0.00 52.86 53.45 1gf8 s ASN 39 Cb 0.00 -1.88 1.32 0.00 -1.45 0.00 0.00 41.25 39.24 1gf8 s ASN 39 CO 0.00 0.04 1.96 0.71 -3.72 0.00 0.00 177.10 176.09 1gf8 h THR 40 N 5.37 0.00 -0.02 -5.21 1.35 -1.43 -3.14 112.91 109.83 1gf8 h THR 40 Ca -0.37 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1gf8 h THR 40 Cb 1.18 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1gf8 h THR 40 CO 0.61 0.00 -0.10 0.54 -0.25 0.00 0.00 175.52 176.32 1gf8 n ARG 41 N -3.02 1.87 -1.71 4.72 1.74 -1.26 -4.11 116.66 114.89 1gf8 n ARG 41 Ca 0.01 -1.44 -0.43 0.00 -0.77 0.00 0.00 57.85 55.22 1gf8 n ARG 41 Cb 0.30 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1gf8 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf8 n ALA 42 N 0.69 2.12 -2.98 7.54 0.00 -1.19 -4.76 120.51 121.92 1gf8 n ALA 42 Ca 0.14 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1gf8 n ALA 42 Cb 0.50 -2.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 1gf8 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gf8 s THR 43 N 0.36 0.08 -0.09 0.00 -4.23 -1.26 -0.85 115.64 109.65 1gf8 s THR 43 Ca 0.69 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1gf8 s THR 43 Cb -0.56 -0.23 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1gf8 s THR 43 CO 0.44 -0.35 0.07 0.21 -0.54 0.00 0.00 174.62 174.45 1gf8 s ASN 44 N -1.05 1.58 -0.09 3.99 2.47 -0.62 -4.96 114.94 116.26 1gf8 s ASN 44 Ca -0.12 -0.17 -0.24 0.00 0.42 0.00 0.00 52.86 52.76 1gf8 s ASN 44 Cb -0.07 -0.19 -0.03 0.00 -1.45 0.00 0.00 41.25 39.51 1gf8 s ASN 44 CO -0.00 -0.28 0.71 -0.47 -3.72 0.00 0.00 177.10 173.34 1gf8 s TYR 45 N 2.15 3.55 -0.51 0.43 6.14 -1.26 -1.02 117.35 126.82 1gf8 s TYR 45 Ca 0.04 1.23 -0.13 0.00 0.64 0.00 0.00 57.07 58.85 1gf8 s TYR 45 Cb -0.13 -2.83 0.12 0.00 0.42 0.00 0.00 41.96 39.54 1gf8 s TYR 45 CO -0.05 0.03 0.44 -0.80 0.64 0.00 0.00 175.55 175.80 1gf8 s ASN 46 N 0.87 6.00 0.38 4.32 0.01 0.18 -4.96 114.94 121.75 1gf8 s ASN 46 Ca 0.37 -1.82 0.08 0.00 -0.71 0.00 0.00 52.86 50.78 1gf8 s ASN 46 Cb -0.17 -2.13 0.82 0.00 0.41 0.00 0.00 41.25 40.17 1gf8 s ASN 46 CO 0.17 -0.79 1.98 0.00 -1.51 0.00 0.00 177.10 176.95 1gf8 h ALA 47 N 8.71 1.77 0.09 0.60 0.00 -1.96 -1.04 119.26 127.43 1gf8 h ALA 47 Ca -0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1gf8 h ALA 47 Cb 1.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1gf8 h ALA 47 CO 0.96 0.13 -0.11 0.78 0.00 0.00 0.00 179.25 181.01 1gf8 h GLY 48 N 0.65 -0.22 -1.56 0.00 0.00 -1.95 -3.22 103.07 96.77 1gf8 h GLY 48 Ca 0.27 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1gf8 h GLY 48 CO -0.08 -0.12 0.00 2.09 0.00 0.00 0.00 176.54 178.43 1gf8 n ASP 49 N -5.24 3.26 -2.92 0.19 5.75 -1.21 -4.98 116.55 111.40 1gf8 n ASP 49 Ca -0.07 -2.16 -0.21 0.00 -0.01 0.00 0.00 54.79 52.35 1gf8 n ASP 49 Cb 0.16 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 1gf8 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf8 n ARG 50 N 0.53 -3.69 -3.75 0.11 1.74 -0.41 -4.68 116.66 106.51 1gf8 n ARG 50 Ca 0.15 0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 57.80 1gf8 n ARG 50 Cb 0.53 -5.55 -0.04 0.00 -1.02 0.00 0.00 32.46 26.38 1gf8 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf8 s SER 51 N -2.51 4.86 -0.00 0.55 1.04 -1.15 -4.32 113.70 112.16 1gf8 s SER 51 Ca 0.24 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1gf8 s SER 51 Cb -0.11 -0.55 -0.00 0.00 0.10 0.00 0.00 66.02 65.45 1gf8 s SER 51 CO 0.29 -0.61 -0.03 -0.89 0.98 0.00 0.00 173.24 172.99 1gf8 s THR 52 N -2.51 0.22 -0.18 2.02 2.01 -1.26 -0.64 115.64 115.29 1gf8 s THR 52 Ca 0.46 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 1gf8 s THR 52 Cb -0.01 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1gf8 s THR 52 CO 0.26 0.07 0.27 -1.81 -0.69 0.00 0.00 174.62 172.72 1gf8 s ASP 53 N 0.01 6.37 -0.00 3.53 1.01 -0.19 -0.93 116.67 126.47 1gf8 s ASP 53 Ca 0.00 0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.76 1gf8 s ASP 53 Cb -0.02 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1gf8 s ASP 53 CO -0.00 0.08 -0.21 -0.31 0.21 0.00 0.00 175.17 174.94 1gf8 s TYR 54 N 0.63 2.47 0.00 4.23 2.02 0.80 -1.59 117.35 125.91 1gf8 s TYR 54 Ca 0.15 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1gf8 s TYR 54 Cb -0.13 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1gf8 s TYR 54 CO 0.04 0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1gf8 n GLY 55 N 2.12 -0.75 0.34 0.71 0.00 -0.03 -1.50 105.19 106.08 1gf8 n GLY 55 Ca -0.16 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.83 1gf8 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf8 h ILE 56 N 0.00 0.94 -0.16 -0.61 2.10 -1.70 -1.48 117.51 116.60 1gf8 h ILE 56 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1gf8 h ILE 56 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 36.22 1gf8 h ILE 56 CO 0.00 0.08 0.00 0.49 -1.08 0.00 0.00 178.15 177.64 1gf8 n PHE 57 N -4.47 0.19 -3.75 2.19 0.99 -1.26 -3.94 117.46 107.40 1gf8 n PHE 57 Ca 0.08 -0.12 -0.26 0.00 -0.00 0.00 0.00 57.45 57.15 1gf8 n PHE 57 Cb 0.29 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.79 1gf8 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf8 n GLN 58 N 1.10 -2.92 -2.51 -1.08 1.13 -0.56 -4.93 117.38 107.62 1gf8 n GLN 58 Ca 0.13 0.50 -0.41 0.00 -1.94 0.00 0.00 57.00 55.29 1gf8 n GLN 58 Cb 0.49 -4.61 -0.04 0.00 0.11 0.00 0.00 30.24 26.19 1gf8 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf8 s ILE 59 N -3.67 3.78 0.02 5.09 1.01 -0.56 -4.35 121.20 122.53 1gf8 s ILE 59 Ca 0.20 1.59 -0.23 0.00 0.00 0.00 0.00 60.65 62.22 1gf8 s ILE 59 Cb -0.07 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1gf8 s ILE 59 CO 0.85 0.30 0.68 0.21 0.00 0.00 0.00 174.94 176.98 1gf8 s ASN 60 N -0.30 7.10 0.36 3.58 3.84 -1.26 -0.14 114.94 128.13 1gf8 s ASN 60 Ca 0.48 1.31 0.27 0.00 0.21 0.00 0.00 52.86 55.14 1gf8 s ASN 60 Cb -0.30 -2.42 1.15 0.00 -0.55 0.00 0.00 41.25 39.13 1gf8 s ASN 60 CO 0.36 0.06 1.81 0.77 -2.79 0.00 0.00 177.10 177.32 1gf8 h SER 61 N 5.61 0.00 -0.12 -4.21 4.64 -1.28 -1.85 113.55 116.34 1gf8 h SER 61 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1gf8 h SER 61 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1gf8 h SER 61 CO 0.70 0.00 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.48 1gf8 h ARG 62 N 0.00 0.44 0.00 4.77 2.43 -1.84 -3.39 114.38 116.79 1gf8 h ARG 62 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1gf8 h ARG 62 Cb 0.38 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1gf8 h ARG 62 CO 0.00 0.54 -0.82 0.66 -1.51 0.00 0.00 179.97 178.84 1gf8 n TYR 63 N -4.24 0.00 -0.09 2.20 4.01 -1.18 -0.66 117.16 117.20 1gf8 n TYR 63 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1gf8 n TYR 63 Cb 0.29 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.18 1gf8 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gf8 n TRP 64 N -1.62 0.00 -4.09 -0.72 7.02 -0.70 -0.83 117.44 116.49 1gf8 n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1gf8 n TRP 64 Cb 0.32 -0.89 -0.10 0.00 -2.42 0.00 0.00 31.31 28.22 1gf8 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf8 s ASN 66 N -2.78 5.87 0.00 0.00 2.47 -0.16 -4.57 114.94 115.77 1gf8 s ASN 66 Ca 0.05 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1gf8 s ASN 66 Cb 0.05 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 1gf8 s ASN 66 CO -0.08 0.07 0.64 -0.90 -3.72 0.00 0.00 177.10 173.11 1gf8 n ASP 67 N 4.23 1.26 0.00 -4.21 5.68 -1.26 -1.15 116.55 121.10 1gf8 n ASP 67 Ca -0.15 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1gf8 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1gf8 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf8 n GLY 68 N -0.15 0.71 0.00 6.12 0.00 -1.26 -4.76 105.19 105.84 1gf8 n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gf8 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf8 n LYS 69 N -2.00 1.77 -3.54 1.61 2.85 -1.26 -4.97 118.16 112.62 1gf8 n LYS 69 Ca 0.00 -1.19 -0.39 0.00 -1.05 0.00 0.00 58.31 55.68 1gf8 n LYS 69 Cb 0.00 -0.99 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 1gf8 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf8 s THR 70 N -0.69 5.29 0.17 0.58 2.01 -1.26 -4.94 115.64 116.80 1gf8 s THR 70 Ca 0.00 -0.01 -0.33 0.00 0.31 0.00 0.00 61.69 61.66 1gf8 s THR 70 Cb 0.00 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.74 1gf8 s THR 70 CO 0.00 0.10 1.66 -2.65 -0.69 0.00 0.00 174.62 173.04 1gf8 n PRO 71 N 5.11 2.42 -1.75 4.92 -0.02 -1.26 -2.79 135.00 141.63 1gf8 n PRO 71 Ca -0.13 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1gf8 n PRO 71 Cb 0.51 -2.68 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1gf8 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf8 n GLY 72 N 3.69 1.04 3.85 -1.23 0.00 -1.26 -4.96 105.19 106.32 1gf8 n GLY 72 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1gf8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf8 s ALA 73 N -2.55 2.59 0.49 4.61 0.00 -1.12 -5.06 121.76 120.72 1gf8 s ALA 73 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1gf8 s ALA 73 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1gf8 s ALA 73 CO 0.00 -1.44 0.04 0.14 0.00 0.00 0.00 175.76 174.50 1gf8 s VAL 74 N -3.29 0.95 -0.40 0.00 -7.23 0.17 -5.01 120.40 105.60 1gf8 s VAL 74 Ca 0.60 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1gf8 s VAL 74 Cb -0.12 -2.18 0.26 0.00 0.56 0.00 0.00 36.38 34.89 1gf8 s VAL 74 CO 0.53 0.00 0.54 -3.20 -0.31 0.00 0.00 175.10 172.66 1gf8 n ASN 75 N -1.31 0.33 0.28 4.85 5.15 -1.23 -3.93 115.26 119.40 1gf8 n ASN 75 Ca -0.16 -2.74 0.11 0.00 -0.60 0.00 0.00 54.58 51.20 1gf8 n ASN 75 Cb 0.66 -0.64 0.77 0.00 -0.53 0.00 0.00 39.78 40.05 1gf8 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf8 h ALA 76 N 3.92 1.76 -0.00 5.20 0.00 -1.03 -0.30 119.26 128.81 1gf8 h ALA 76 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gf8 h ALA 76 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1gf8 h ALA 76 CO 0.47 0.01 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 1gf8 n HIS 78 N -1.11 -1.97 -4.01 0.00 -0.00 -0.12 -4.96 115.22 103.04 1gf8 n HIS 78 Ca 0.09 0.76 -0.11 0.00 -0.00 0.00 0.00 57.72 58.47 1gf8 n HIS 78 Cb 0.33 -4.14 -0.11 0.00 -0.00 0.00 0.00 29.99 26.06 1gf8 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf8 s LEU 79 N -6.48 2.24 0.27 2.41 1.43 -1.26 -5.07 118.68 112.22 1gf8 s LEU 79 Ca 0.16 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1gf8 s LEU 79 Cb -0.04 0.00 -0.09 0.00 0.03 0.00 0.00 46.19 46.08 1gf8 s LEU 79 CO 0.82 -0.26 1.05 -0.55 0.23 0.00 0.00 176.35 177.63 1gf8 s SER 80 N -1.48 7.38 0.61 2.29 0.15 -1.26 -0.99 113.70 120.41 1gf8 s SER 80 Ca -0.14 2.16 0.36 0.00 0.70 0.00 0.00 55.95 59.03 1gf8 s SER 80 Cb -0.10 -2.62 1.94 0.00 -1.71 0.00 0.00 66.02 63.53 1gf8 s SER 80 CO -0.00 -0.05 2.09 0.00 1.20 0.00 0.00 173.24 176.47 1gf8 h SER 82 N 0.00 0.62 0.12 0.00 0.87 -1.90 -0.84 113.55 112.41 1gf8 h SER 82 Ca 0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1gf8 h SER 82 Cb 0.26 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1gf8 h SER 82 CO 0.00 0.44 -0.01 0.00 -0.53 0.00 0.00 176.83 176.73 1gf8 h ALA 83 N 1.66 1.15 -0.27 6.23 0.00 -1.27 -1.53 119.26 125.22 1gf8 h ALA 83 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gf8 h ALA 83 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gf8 h ALA 83 CO -0.05 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1gf8 n LEU 84 N -3.32 1.65 -0.04 0.00 4.77 -0.32 -3.64 117.00 116.10 1gf8 n LEU 84 Ca -0.03 -0.79 0.05 0.00 -0.03 0.00 0.00 56.01 55.22 1gf8 n LEU 84 Cb 0.11 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1gf8 n LEU 84 CO 0.23 0.40 0.54 0.18 -1.33 0.00 0.00 177.39 177.40 1gf8 n LEU 85 N 0.37 2.17 -4.85 2.23 4.77 -0.58 -3.03 117.00 118.08 1gf8 n LEU 85 Ca 0.12 -2.56 -0.31 0.00 -0.03 0.00 0.00 56.01 53.23 1gf8 n LEU 85 Cb 0.28 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1gf8 n LEU 85 CO 0.09 0.61 0.56 -1.10 -1.33 0.00 0.00 177.39 176.22 1gf8 s GLN 86 N -1.97 3.90 0.21 3.23 -0.21 -1.24 -4.63 119.66 118.95 1gf8 s GLN 86 Ca 0.17 0.74 -0.05 0.00 0.02 0.00 0.00 55.36 56.24 1gf8 s GLN 86 Cb 0.15 -2.27 0.16 0.00 1.00 0.00 0.00 33.01 32.05 1gf8 s GLN 86 CO 0.02 -0.13 1.62 -0.44 -2.12 0.00 0.00 175.29 174.23 1gf8 h ASP 87 N 1.22 0.82 -3.27 5.90 5.19 -1.94 -3.39 116.42 120.96 1gf8 h ASP 87 Ca -0.47 -0.30 -0.57 0.00 -0.62 0.00 0.00 57.03 55.07 1gf8 h ASP 87 Cb 1.18 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 40.41 1gf8 h ASP 87 CO 0.63 1.02 0.87 0.21 -3.12 0.00 0.00 179.24 178.84 1gf8 s ASN 88 N -6.75 6.90 -0.02 6.45 3.84 -1.26 -4.93 114.94 119.16 1gf8 s ASN 88 Ca -0.10 1.10 0.09 0.00 0.21 0.00 0.00 52.86 54.17 1gf8 s ASN 88 Cb 0.13 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.58 1gf8 s ASN 88 CO 0.84 -0.90 1.19 2.30 -2.79 0.00 0.00 177.10 177.74 1gf8 n ILE 89 N 5.90 0.59 -0.12 -5.21 -5.35 -1.26 -4.43 119.36 109.48 1gf8 n ILE 89 Ca 0.12 -0.46 -0.05 0.00 -0.27 0.00 0.00 62.75 62.10 1gf8 n ILE 89 Cb 0.47 0.08 0.03 0.00 -1.74 0.00 0.00 39.64 38.47 1gf8 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf8 h ALA 90 N 3.43 0.37 -0.55 -1.28 0.00 -1.94 0.81 119.26 120.09 1gf8 h ALA 90 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1gf8 h ALA 90 Cb 0.58 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1gf8 h ALA 90 CO 0.05 -0.38 0.04 -0.44 0.00 0.00 0.00 179.25 178.51 1gf8 h ASP 91 N 0.12 0.92 -0.74 0.00 3.45 -1.86 -1.46 116.42 116.85 1gf8 h ASP 91 Ca 0.19 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 1gf8 h ASP 91 Cb 0.26 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.75 1gf8 h ASP 91 CO -0.31 0.97 0.45 0.00 -1.57 0.00 0.00 179.24 178.79 1gf8 h ALA 92 N 0.97 1.40 -0.26 3.45 0.00 -1.63 -1.35 119.26 121.84 1gf8 h ALA 92 Ca 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1gf8 h ALA 92 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gf8 h ALA 92 CO 0.02 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 179.98 1gf8 h VAL 93 N 1.02 1.29 -0.76 0.00 2.07 -0.57 0.05 116.25 119.35 1gf8 h VAL 93 Ca 0.27 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1gf8 h VAL 93 Cb -0.05 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1gf8 h VAL 93 CO -0.05 0.36 0.50 0.00 0.02 0.00 0.00 177.57 178.40 1gf8 h ALA 94 N 0.75 1.57 -0.18 1.67 0.00 -0.89 0.56 119.26 122.74 1gf8 h ALA 94 Ca 0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1gf8 h ALA 94 Cb 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1gf8 h ALA 94 CO 0.03 0.34 -0.72 0.00 0.00 0.00 0.00 179.25 178.90 1gf8 h ALA 96 N 0.62 1.14 -0.83 0.00 0.00 -0.36 0.22 119.26 120.04 1gf8 h ALA 96 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1gf8 h ALA 96 Cb 1.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1gf8 h ALA 96 CO 0.15 0.63 0.46 0.87 0.00 0.00 0.00 179.25 181.36 1gf8 h LYS 97 N 1.08 1.15 -0.51 0.00 1.57 -0.79 -2.08 116.57 116.99 1gf8 h LYS 97 Ca 0.25 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1gf8 h LYS 97 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1gf8 h LYS 97 CO -0.02 0.84 0.27 -0.09 -0.57 0.00 0.00 179.45 179.88 1gf8 h ARG 98 N 1.15 0.72 -0.38 3.15 9.65 -0.23 -2.58 114.38 125.87 1gf8 h ARG 98 Ca 0.29 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 1gf8 h ARG 98 Cb 0.02 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 1gf8 h ARG 98 CO -0.05 0.57 0.13 0.28 2.80 0.00 0.00 179.97 183.69 1gf8 h VAL 99 N 0.68 0.88 0.00 0.20 2.07 -0.45 -2.11 116.25 117.53 1gf8 h VAL 99 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1gf8 h VAL 99 Cb 0.06 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1gf8 h VAL 99 CO -0.03 0.05 0.00 1.33 0.02 0.00 0.00 177.57 178.94 1gf8 n VAL 100 N -5.02 0.16 1.31 2.57 0.24 -0.83 -2.16 118.33 114.59 1gf8 n VAL 100 Ca 0.02 0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.50 1gf8 n VAL 100 Cb 0.14 -0.62 0.72 0.00 -1.47 0.00 0.00 33.84 32.62 1gf8 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gf8 n ARG 101 N -1.26 0.32 -2.08 7.34 1.74 -0.79 -4.21 116.66 117.72 1gf8 n ARG 101 Ca 0.13 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.93 1gf8 n ARG 101 Cb 0.19 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1gf8 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gf8 s ASP 102 N -2.69 5.01 0.22 0.55 -0.00 -0.92 -4.97 116.67 113.87 1gf8 s ASP 102 Ca 0.25 0.75 -0.13 0.00 -0.00 0.00 0.00 52.55 53.41 1gf8 s ASP 102 Cb 0.20 -1.45 0.26 0.00 -0.00 0.00 0.00 42.92 41.93 1gf8 s ASP 102 CO 0.48 -1.53 1.62 -0.65 -0.00 0.00 0.00 175.17 175.09 1gf8 h PRO 103 N -0.67 -0.00 0.00 8.23 0.11 -1.87 -2.38 132.00 135.42 1gf8 h PRO 103 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1gf8 h PRO 103 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1gf8 h PRO 103 CO 0.63 -0.00 -0.07 1.96 -0.21 0.00 0.00 178.00 180.30 1gf8 h GLN 104 N -0.00 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.97 1gf8 h GLN 104 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1gf8 h GLN 104 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1gf8 h GLN 104 CO -0.69 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 177.96 1gf8 n GLY 105 N -0.90 2.30 0.29 3.46 0.00 -0.90 -2.18 105.19 107.26 1gf8 n GLY 105 Ca -0.02 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.72 1gf8 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf8 h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -2.19 117.51 118.89 1gf8 h ILE 106 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1gf8 h ILE 106 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1gf8 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gf8 n ARG 107 N -2.94 0.11 -0.00 2.19 1.74 -0.93 -2.95 116.66 113.88 1gf8 n ARG 107 Ca -0.01 0.22 0.15 0.00 -0.77 0.00 0.00 57.85 57.43 1gf8 n ARG 107 Cb 0.16 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.69 1gf8 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf8 h ALA 108 N 2.51 2.22 -2.53 7.54 0.00 -1.56 -3.38 119.26 124.05 1gf8 h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1gf8 h ALA 108 Cb 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 1gf8 h ALA 108 CO 0.00 -0.34 -0.21 -1.58 0.00 0.00 0.00 179.25 177.12 1gf8 s TRP 109 N -5.19 3.20 0.47 0.00 0.51 -1.15 -4.95 118.94 111.82 1gf8 s TRP 109 Ca -0.06 -0.01 0.13 0.00 -2.12 0.00 0.00 56.10 54.05 1gf8 s TRP 109 Cb 0.19 -2.77 1.10 0.00 -0.81 0.00 0.00 33.47 31.19 1gf8 s TRP 109 CO 0.73 -0.49 2.08 0.28 -0.51 0.00 0.00 176.95 179.04 1gf8 h VAL 110 N 5.58 0.99 -0.57 4.03 2.07 -1.90 -0.76 116.25 125.69 1gf8 h VAL 110 Ca -0.29 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1gf8 h VAL 110 Cb 1.13 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1gf8 h VAL 110 CO 0.73 0.05 0.21 0.00 0.02 0.00 0.00 177.57 178.57 1gf8 h ALA 111 N 1.84 1.28 -0.39 1.67 0.00 -1.94 0.46 119.26 122.18 1gf8 h ALA 111 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gf8 h ALA 111 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1gf8 h ALA 111 CO -0.02 0.52 0.10 2.35 0.00 0.00 0.00 179.25 182.20 1gf8 h TRP 112 N 0.83 0.64 -0.64 0.00 7.01 -1.47 0.21 115.95 122.53 1gf8 h TRP 112 Ca 0.19 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1gf8 h TRP 112 Cb 0.20 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 1gf8 h TRP 112 CO 0.01 0.62 0.40 0.00 -2.79 0.00 0.00 178.44 176.68 1gf8 h ARG 113 N 0.48 0.77 -0.05 2.65 3.08 -1.03 0.25 114.38 120.53 1gf8 h ARG 113 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1gf8 h ARG 113 Cb 0.30 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1gf8 h ARG 113 CO 0.00 0.51 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.46 1gf8 h ASN 114 N 0.80 0.12 0.00 7.04 2.35 -0.63 -3.34 115.58 121.91 1gf8 h ASN 114 Ca 0.25 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1gf8 h ASN 114 Cb -0.01 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1gf8 h ASN 114 CO -0.09 0.55 -1.26 0.54 -1.65 0.00 0.00 177.43 175.52 1gf8 n ARG 115 N -4.78 0.59 0.00 0.81 5.12 0.70 -4.79 116.66 114.31 1gf8 n ARG 115 Ca -0.08 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1gf8 n ARG 115 Cb 0.27 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1gf8 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gf8 n GLN 117 N -2.29 2.41 -2.66 0.00 7.27 -0.04 -2.06 117.38 120.01 1gf8 n GLN 117 Ca 0.00 0.87 -0.19 0.00 0.07 0.00 0.00 57.00 57.75 1gf8 n GLN 117 Cb 0.43 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.44 1gf8 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gf8 n ASN 118 N 3.08 -5.15 -4.36 1.69 5.03 -1.26 -4.94 115.26 109.34 1gf8 n ASN 118 Ca 0.14 -0.06 -0.19 0.00 0.87 0.00 0.00 54.58 55.34 1gf8 n ASN 118 Cb 0.33 -4.27 -0.10 0.00 -1.02 0.00 0.00 39.78 34.72 1gf8 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf8 s ARG 119 N -5.30 1.37 -0.52 3.52 0.52 -0.87 -5.09 118.95 112.58 1gf8 s ARG 119 Ca 0.11 -1.61 -0.28 0.00 -0.52 0.00 0.00 55.73 53.43 1gf8 s ARG 119 Cb -0.05 -1.20 0.02 0.00 0.52 0.00 0.00 34.95 34.24 1gf8 s ARG 119 CO 0.14 0.20 1.29 0.34 0.02 0.00 0.00 175.30 177.30 1gf8 s ASP 120 N -3.34 6.36 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.74 1gf8 s ASP 120 Ca 0.23 0.38 0.14 0.00 -0.52 0.00 0.00 52.55 52.78 1gf8 s ASP 120 Cb -0.01 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.23 1gf8 s ASP 120 CO 0.08 -1.50 1.25 1.33 0.52 0.00 0.00 175.17 176.85 1gf8 n VAL 121 N 6.85 0.77 -0.32 1.11 0.24 -1.26 -4.64 118.33 121.08 1gf8 n VAL 121 Ca 0.12 -0.88 0.11 0.00 -2.04 0.00 0.00 64.34 61.65 1gf8 n VAL 121 Cb 0.49 0.69 0.29 0.00 -1.47 0.00 0.00 33.84 33.83 1gf8 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf8 h ARG 122 N 2.70 0.59 -0.79 7.34 3.08 -1.93 -2.03 114.38 123.35 1gf8 h ARG 122 Ca 0.00 -0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.24 1gf8 h ARG 122 Cb 0.76 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1gf8 h ARG 122 CO 0.00 0.39 0.65 -0.56 -1.07 0.00 0.00 179.97 179.39 1gf8 h GLN 123 N 0.61 0.00 0.00 0.04 3.07 -1.97 -1.65 115.11 115.20 1gf8 h GLN 123 Ca 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.23 1gf8 h GLN 123 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 1gf8 h GLN 123 CO -0.42 0.00 -0.21 1.88 0.09 0.00 0.00 178.83 180.17 1gf8 h TYR 124 N 0.00 0.00 -0.02 0.06 0.05 -1.70 -3.25 116.97 112.10 1gf8 h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1gf8 h TYR 124 Cb 1.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.42 1gf8 h TYR 124 CO 0.00 0.21 0.00 1.33 -1.05 0.00 0.00 178.16 178.65 1gf8 n VAL 125 N -3.38 0.14 -1.93 -2.88 0.24 -0.65 -4.80 118.33 105.07 1gf8 n VAL 125 Ca 0.00 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 1gf8 n VAL 125 Cb 0.42 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1gf8 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gf8 s GLN 126 N -0.45 4.22 0.00 7.34 -1.52 -1.04 -2.42 119.66 125.79 1gf8 s GLN 126 Ca 0.06 2.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1gf8 s GLN 126 Cb 0.04 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1gf8 s GLN 126 CO 0.06 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.94 1gf8 n GLY 127 N 3.12 0.41 0.00 3.09 0.00 -1.26 -4.90 105.19 105.66 1gf8 n GLY 127 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1gf8 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf8 n GLY 129 N 1.49 0.26 0.21 0.00 0.00 -1.26 -4.83 105.19 101.06 1gf8 n GLY 129 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1gf8 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65