#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfu s VAL 2 N 0.00 4.27 0.57 3.15 1.01 -1.26 -1.19 120.40 126.95 1gfu s VAL 2 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1gfu s VAL 2 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1gfu s VAL 2 CO 0.00 -0.22 1.09 -0.36 0.00 0.00 0.00 175.10 175.61 1gfu s PHE 3 N 1.50 2.79 0.32 5.22 0.08 -0.49 -5.00 117.98 122.40 1gfu s PHE 3 Ca 0.01 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.51 1gfu s PHE 3 Cb -0.19 -3.16 -0.06 0.00 -0.57 0.00 0.00 43.02 39.03 1gfu s PHE 3 CO 0.05 -1.36 0.65 -1.21 -0.10 0.00 0.00 175.22 173.25 1gfu s GLU 4 N -3.62 3.76 0.04 0.44 0.41 -1.26 -4.87 118.70 113.60 1gfu s GLU 4 Ca 0.68 0.29 -0.11 0.00 -0.41 0.00 0.00 54.97 55.42 1gfu s GLU 4 Cb -0.20 -2.54 -0.04 0.00 -1.78 0.00 0.00 34.13 29.57 1gfu s GLU 4 CO 0.31 0.15 1.19 -0.09 -0.49 0.00 0.00 175.26 176.32 1gfu h ARG 5 N 1.79 -0.15 0.00 1.61 2.43 -1.96 -1.63 114.38 116.46 1gfu h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1gfu h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1gfu h ARG 5 CO 0.66 -0.10 -0.22 0.00 -1.51 0.00 0.00 179.97 178.80 1gfu h GLU 7 N 0.00 0.46 -0.61 0.00 4.81 -1.86 -1.61 114.58 115.77 1gfu h GLU 7 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1gfu h GLU 7 Cb 0.44 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1gfu h GLU 7 CO 0.03 0.37 0.07 1.25 -0.73 0.00 0.00 179.01 180.00 1gfu h LEU 8 N 0.42 1.00 -0.44 1.64 5.85 -0.82 -1.62 115.31 121.34 1gfu h LEU 8 Ca 0.12 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1gfu h LEU 8 Cb 0.04 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1gfu h LEU 8 CO -0.02 1.03 0.15 0.00 -0.34 0.00 0.00 178.44 179.26 1gfu h ALA 9 N 1.01 0.52 -0.44 1.25 0.00 -0.94 0.13 119.26 120.79 1gfu h ALA 9 Ca 0.18 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1gfu h ALA 9 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1gfu h ALA 9 CO 0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 179.25 178.79 1gfu h ARG 10 N 0.31 0.91 -0.35 0.00 3.08 -1.25 -1.32 114.38 115.77 1gfu h ARG 10 Ca 0.21 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1gfu h ARG 10 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1gfu h ARG 10 CO -0.22 1.05 0.21 1.15 -1.07 0.00 0.00 179.97 181.09 1gfu h THR 11 N 0.78 1.12 -0.68 2.04 2.02 -0.70 -0.29 112.91 117.19 1gfu h THR 11 Ca 0.10 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1gfu h THR 11 Cb 0.80 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1gfu h THR 11 CO 0.07 0.12 0.28 -0.07 0.37 0.00 0.00 175.52 176.29 1gfu h LEU 12 N 0.45 0.93 -0.18 2.58 3.38 -0.63 -2.45 115.31 119.40 1gfu h LEU 12 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gfu h LEU 12 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1gfu h LEU 12 CO -0.02 0.84 0.11 0.50 0.09 0.00 0.00 178.44 179.95 1gfu h LYS 13 N 0.96 0.25 0.00 1.13 3.64 -0.87 -1.93 116.57 119.75 1gfu h LYS 13 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1gfu h LYS 13 Cb 0.19 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1gfu h LYS 13 CO -0.02 0.22 -0.03 0.00 -2.27 0.00 0.00 179.45 177.35 1gfu h ARG 14 N 0.21 0.00 -0.21 1.90 3.08 -0.93 -0.03 114.38 118.41 1gfu h ARG 14 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1gfu h ARG 14 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1gfu h ARG 14 CO -0.01 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1gfu n LEU 15 N -3.68 1.50 -0.01 3.04 4.77 -0.77 -4.92 117.00 116.94 1gfu n LEU 15 Ca -0.03 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1gfu n LEU 15 Cb 0.12 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1gfu n LEU 15 CO 0.27 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1gfu n GLY 16 N 1.04 0.39 0.08 -0.72 0.00 -0.02 -4.98 105.19 100.99 1gfu n GLY 16 Ca 0.14 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1gfu n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gfu n MET 17 N -0.99 0.48 -2.12 1.61 2.81 -0.93 -4.48 117.12 113.50 1gfu n MET 17 Ca 0.00 0.08 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1gfu n MET 17 Cb 0.50 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 1gfu n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1gfu s ASP 18 N -4.81 6.07 0.00 7.83 2.15 -1.26 -2.18 116.67 124.46 1gfu s ASP 18 Ca 0.02 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1gfu s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1gfu s ASP 18 CO 0.78 -1.59 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 1gfu n GLY 19 N 5.27 0.56 3.67 2.66 0.00 0.86 -4.94 105.19 113.26 1gfu n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1gfu n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gfu s TYR 20 N -2.00 1.63 -1.42 1.61 5.04 -0.93 -0.88 117.35 120.40 1gfu s TYR 20 Ca 0.00 -0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.33 1gfu s TYR 20 Cb 0.00 -4.13 0.08 0.00 0.35 0.00 0.00 41.96 38.26 1gfu s TYR 20 CO 0.00 -4.92 0.66 0.54 -1.34 0.00 0.00 175.55 170.49 1gfu n ARG 21 N 7.12 -4.06 -0.98 4.97 5.12 -1.26 -0.98 116.66 126.59 1gfu n ARG 21 Ca 0.19 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1gfu n ARG 21 Cb 0.41 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.40 1gfu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfu n GLY 22 N -1.36 0.55 3.62 -0.13 0.00 -0.06 -4.99 105.19 102.82 1gfu n GLY 22 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1gfu n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfu s ILE 23 N -2.34 5.14 0.74 -0.61 1.01 -0.15 -4.86 121.20 120.14 1gfu s ILE 23 Ca 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 1gfu s ILE 23 Cb 0.00 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1gfu s ILE 23 CO 0.00 0.16 1.08 -0.94 0.00 0.00 0.00 174.94 175.23 1gfu s SER 24 N 1.47 4.92 0.28 3.58 1.04 -1.26 -0.10 113.70 123.62 1gfu s SER 24 Ca 0.18 1.68 -0.04 0.00 0.48 0.00 0.00 55.95 58.25 1gfu s SER 24 Cb -0.15 -2.47 0.36 0.00 0.10 0.00 0.00 66.02 63.86 1gfu s SER 24 CO 0.09 -1.75 1.94 0.25 0.98 0.00 0.00 173.24 174.75 1gfu h LEU 25 N -0.93 1.02 -1.42 2.42 5.85 -1.92 -1.65 115.31 118.68 1gfu h LEU 25 Ca -0.44 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1gfu h LEU 25 Cb 1.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1gfu h LEU 25 CO 0.55 0.76 0.41 0.00 -0.34 0.00 0.00 178.44 179.81 1gfu h ALA 26 N 1.42 1.61 -0.33 1.25 0.00 -1.92 0.20 119.26 121.49 1gfu h ALA 26 Ca 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1gfu h ALA 26 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1gfu h ALA 26 CO -0.06 0.34 -0.12 -0.91 0.00 0.00 0.00 179.25 178.50 1gfu h ASN 27 N 0.79 0.67 -0.66 0.00 2.35 -1.65 -0.89 115.58 116.19 1gfu h ASN 27 Ca 0.24 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1gfu h ASN 27 Cb -0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1gfu h ASN 27 CO -0.06 0.91 0.29 -0.50 -1.65 0.00 0.00 177.43 176.42 1gfu h TRP 28 N 0.43 1.01 -0.43 1.19 4.06 -1.03 -1.26 115.95 119.93 1gfu h TRP 28 Ca 0.08 -0.06 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 1gfu h TRP 28 Cb 0.64 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1gfu h TRP 28 CO 0.06 0.76 -0.01 0.52 -3.56 0.00 0.00 178.44 176.21 1gfu h MET 29 N 0.98 0.76 -0.70 0.49 2.86 -0.83 -1.10 114.93 117.40 1gfu h MET 29 Ca 0.23 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1gfu h MET 29 Cb 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1gfu h MET 29 CO -0.02 0.84 0.28 0.00 1.06 0.00 0.00 176.91 179.06 1gfu h LEU 31 N 0.99 -0.51 -0.92 0.00 5.85 -1.04 -1.68 115.31 118.01 1gfu h LEU 31 Ca 0.23 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1gfu h LEU 31 Cb 0.21 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1gfu h LEU 31 CO -0.02 -0.35 0.59 0.00 -0.34 0.00 0.00 178.44 178.33 1gfu h ALA 32 N -0.07 1.22 0.11 1.25 0.00 -1.06 0.13 119.26 120.84 1gfu h ALA 32 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1gfu h ALA 32 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gfu h ALA 32 CO 0.10 0.45 -0.05 -0.22 0.00 0.00 0.00 179.25 179.53 1gfu h LYS 33 N 1.15 -0.14 0.00 0.00 1.63 -0.96 -0.82 116.57 117.42 1gfu h LYS 33 Ca 0.37 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.07 1gfu h LYS 33 Cb 0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1gfu h LYS 33 CO -0.12 -0.06 -0.54 -1.49 -3.45 0.00 0.00 179.45 173.78 1gfu h TRP 34 N -0.19 0.00 -0.00 1.91 4.06 -1.00 0.02 115.95 120.74 1gfu h TRP 34 Ca -0.02 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1gfu h TRP 34 Cb 0.15 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1gfu h TRP 34 CO -0.06 0.54 -0.36 0.93 -3.56 0.00 0.00 178.44 175.93 1gfu h GLU 35 N 0.00 0.25 0.00 0.49 4.39 -0.65 -3.42 114.58 115.64 1gfu h GLU 35 Ca -0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1gfu h GLU 35 Cb 1.15 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1gfu h GLU 35 CO 0.07 0.98 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 1gfu n SER 36 N -4.41 0.13 -1.90 1.42 3.41 -0.35 -4.82 113.62 107.09 1gfu n SER 36 Ca -0.10 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.34 1gfu n SER 36 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1gfu n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfu n GLY 37 N -0.00 -0.31 2.30 5.00 0.00 -0.01 -2.01 105.19 110.17 1gfu n GLY 37 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1gfu n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfu n TYR 38 N -4.03 -0.34 -3.50 1.61 0.53 -1.17 -4.78 117.16 105.48 1gfu n TYR 38 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.27 1gfu n TYR 38 Cb 0.65 -2.62 -0.10 0.00 -1.03 0.00 0.00 39.34 36.24 1gfu n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfu s ASN 39 N -2.62 6.03 0.61 7.72 2.47 -0.85 -1.39 114.94 126.91 1gfu s ASN 39 Ca 0.00 -0.76 0.39 0.00 0.42 0.00 0.00 52.86 52.92 1gfu s ASN 39 Cb 0.00 -2.13 1.90 0.00 -1.45 0.00 0.00 41.25 39.57 1gfu s ASN 39 CO 0.00 -0.37 2.18 0.71 -3.72 0.00 0.00 177.10 175.90 1gfu h THR 40 N 5.62 0.01 -0.62 -5.21 1.35 -1.47 -2.52 112.91 110.07 1gfu h THR 40 Ca -0.28 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1gfu h THR 40 Cb 1.13 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1gfu h THR 40 CO 0.69 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.50 1gfu n ARG 41 N -3.10 3.36 -1.91 4.72 1.74 -1.26 -3.96 116.66 116.25 1gfu n ARG 41 Ca -0.01 -2.74 -0.41 0.00 -0.77 0.00 0.00 57.85 53.91 1gfu n ARG 41 Cb 0.19 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 1gfu n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfu s ALA 42 N -1.60 3.60 0.01 7.54 0.00 -0.95 -4.80 121.76 125.56 1gfu s ALA 42 Ca 0.47 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.84 1gfu s ALA 42 Cb 0.29 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1gfu s ALA 42 CO 0.25 -0.88 0.08 0.95 0.00 0.00 0.00 175.76 176.16 1gfu s THR 43 N -0.67 0.09 -0.15 0.00 -4.23 -1.26 -1.02 115.64 108.40 1gfu s THR 43 Ca 0.55 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1gfu s THR 43 Cb -0.44 -0.36 0.07 0.00 1.34 0.00 0.00 72.50 73.11 1gfu s THR 43 CO 0.54 -0.39 0.21 0.21 -0.54 0.00 0.00 174.62 174.65 1gfu s ASN 44 N -1.31 0.94 0.12 3.99 2.47 -0.87 -4.98 114.94 115.30 1gfu s ASN 44 Ca -0.14 0.15 -0.24 0.00 0.42 0.00 0.00 52.86 53.04 1gfu s ASN 44 Cb -0.08 0.43 -0.07 0.00 -1.45 0.00 0.00 41.25 40.08 1gfu s ASN 44 CO 0.01 -0.28 0.75 -0.47 -3.72 0.00 0.00 177.10 173.38 1gfu s TYR 45 N 2.34 3.85 -0.50 0.43 6.14 -1.26 -0.77 117.35 127.58 1gfu s TYR 45 Ca 0.04 1.55 -0.02 0.00 0.64 0.00 0.00 57.07 59.28 1gfu s TYR 45 Cb -0.14 -2.75 0.13 0.00 0.42 0.00 0.00 41.96 39.63 1gfu s TYR 45 CO -0.09 0.47 0.30 -0.80 0.64 0.00 0.00 175.55 176.06 1gfu s ASN 46 N -0.87 5.18 0.41 4.32 0.01 0.31 -4.96 114.94 119.33 1gfu s ASN 46 Ca 0.36 -2.43 0.14 0.00 -0.71 0.00 0.00 52.86 50.22 1gfu s ASN 46 Cb -0.22 -1.82 0.99 0.00 0.41 0.00 0.00 41.25 40.61 1gfu s ASN 46 CO 0.25 -0.45 1.90 0.00 -1.51 0.00 0.00 177.10 177.28 1gfu h ALA 47 N 7.53 2.05 -0.53 0.60 0.00 -1.96 0.39 119.26 127.33 1gfu h ALA 47 Ca -0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1gfu h ALA 47 Cb 1.00 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1gfu h ALA 47 CO 0.70 -0.27 0.09 0.78 0.00 0.00 0.00 179.25 180.55 1gfu h GLY 48 N 0.49 0.64 -0.07 0.00 0.00 -1.95 -3.18 103.07 98.99 1gfu h GLY 48 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1gfu h GLY 48 CO -0.15 -0.10 -0.04 2.09 0.00 0.00 0.00 176.54 178.35 1gfu n ASP 49 N -5.14 1.76 -3.44 0.19 5.75 -1.09 -5.01 116.55 109.57 1gfu n ASP 49 Ca 0.07 -2.26 -0.25 0.00 -0.01 0.00 0.00 54.79 52.34 1gfu n ASP 49 Cb 0.27 -0.16 0.03 0.00 -1.03 0.00 0.00 41.12 40.24 1gfu n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfu n ARG 50 N -0.73 -5.32 -4.18 0.11 1.74 0.11 -4.73 116.66 103.65 1gfu n ARG 50 Ca 0.05 0.72 -0.24 0.00 -0.77 0.00 0.00 57.85 57.61 1gfu n ARG 50 Cb 0.44 -5.60 -0.07 0.00 -1.02 0.00 0.00 32.46 26.21 1gfu n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfu s SER 51 N -2.97 4.41 -0.02 0.55 1.04 -1.16 -4.41 113.70 111.13 1gfu s SER 51 Ca 0.47 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1gfu s SER 51 Cb -0.23 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1gfu s SER 51 CO 0.58 -0.42 -0.08 -0.89 0.98 0.00 0.00 173.24 173.42 1gfu s THR 52 N -2.55 0.64 -0.16 2.02 2.01 -1.26 -0.53 115.64 115.81 1gfu s THR 52 Ca 0.39 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 1gfu s THR 52 Cb 0.02 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1gfu s THR 52 CO 0.22 0.20 0.48 -1.81 -0.69 0.00 0.00 174.62 173.01 1gfu s ASP 53 N 0.06 6.60 -0.06 3.53 1.01 0.05 -0.86 116.67 127.00 1gfu s ASP 53 Ca -0.01 0.72 0.04 0.00 0.71 0.00 0.00 52.55 54.01 1gfu s ASP 53 Cb -0.06 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1gfu s ASP 53 CO -0.00 -0.07 -0.17 -0.31 0.21 0.00 0.00 175.17 174.83 1gfu s TYR 54 N 1.05 2.65 0.00 4.23 2.02 0.56 -2.05 117.35 125.81 1gfu s TYR 54 Ca 0.24 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1gfu s TYR 54 Cb -0.15 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1gfu s TYR 54 CO 0.10 0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1gfu n GLY 55 N 2.67 -1.11 0.30 0.71 0.00 -0.19 -1.67 105.19 105.90 1gfu n GLY 55 Ca -0.17 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.76 1gfu n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfu h ILE 56 N 0.00 0.88 -0.16 -0.61 2.10 -1.68 -1.41 117.51 116.63 1gfu h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gfu h ILE 56 Cb 0.00 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1gfu h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1gfu n PHE 57 N -4.43 0.19 -3.80 2.19 0.99 -1.26 -3.97 117.46 107.36 1gfu n PHE 57 Ca 0.01 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.45 57.02 1gfu n PHE 57 Cb 0.25 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.75 1gfu n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfu n GLN 58 N 0.99 -2.00 -2.70 -1.08 1.13 -0.53 -4.92 117.38 108.26 1gfu n GLN 58 Ca 0.12 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 1gfu n GLN 58 Cb 0.45 -4.18 -0.03 0.00 0.11 0.00 0.00 30.24 26.59 1gfu n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfu s ILE 59 N -3.65 4.85 0.10 5.09 1.01 -0.67 -4.42 121.20 123.52 1gfu s ILE 59 Ca 0.30 2.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.70 1gfu s ILE 59 Cb -0.11 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1gfu s ILE 59 CO 0.88 0.14 0.96 0.21 0.00 0.00 0.00 174.94 177.12 1gfu s ASN 60 N 1.02 7.48 0.58 3.58 3.84 -1.26 -0.32 114.94 129.87 1gfu s ASN 60 Ca 0.52 1.77 0.37 0.00 0.21 0.00 0.00 52.86 55.73 1gfu s ASN 60 Cb -0.21 -2.58 1.68 0.00 -0.55 0.00 0.00 41.25 39.59 1gfu s ASN 60 CO 0.27 -0.08 2.10 0.77 -2.79 0.00 0.00 177.10 177.37 1gfu h SER 61 N 5.66 0.00 0.69 -4.21 4.64 -1.23 -1.07 113.55 118.04 1gfu h SER 61 Ca -0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 1gfu h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gfu h SER 61 CO 0.72 0.01 -0.29 -0.09 -0.87 0.00 0.00 176.83 176.31 1gfu h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.40 114.38 116.36 1gfu h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gfu h ARG 62 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1gfu h ARG 62 CO 0.00 0.29 -0.56 0.66 -1.51 0.00 0.00 179.97 178.86 1gfu n TYR 63 N -3.60 0.00 -0.09 2.20 4.01 -1.12 -0.93 117.16 117.63 1gfu n TYR 63 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1gfu n TYR 63 Cb 0.42 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.32 1gfu n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfu n TRP 64 N -1.57 0.00 -4.14 -0.72 7.02 -0.42 -0.68 117.44 116.93 1gfu n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1gfu n TRP 64 Cb 0.28 -0.85 -0.10 0.00 -2.42 0.00 0.00 31.31 28.21 1gfu n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfu s ASN 66 N -2.79 5.99 0.00 0.00 2.47 -0.17 -4.51 114.94 115.92 1gfu s ASN 66 Ca 0.07 0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1gfu s ASN 66 Cb 0.03 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1gfu s ASN 66 CO -0.05 0.16 0.66 -0.90 -3.72 0.00 0.00 177.10 173.25 1gfu n ASP 67 N 3.67 1.20 0.00 -4.21 5.68 -1.26 -0.91 116.55 120.72 1gfu n ASP 67 Ca -0.16 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1gfu n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1gfu n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gfu n GLY 68 N -0.21 1.26 0.30 6.12 0.00 -1.26 -4.65 105.19 106.74 1gfu n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1gfu n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfu n LYS 69 N 0.00 0.87 -2.80 1.61 2.85 -1.26 -4.88 118.16 114.55 1gfu n LYS 69 Ca 0.00 -0.61 -0.42 0.00 -1.05 0.00 0.00 58.31 56.23 1gfu n LYS 69 Cb 0.00 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 1gfu n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfu s THR 70 N -2.55 4.83 0.44 0.58 2.01 -1.26 -5.00 115.64 114.69 1gfu s THR 70 Ca 0.21 1.82 -0.25 0.00 0.31 0.00 0.00 61.69 63.78 1gfu s THR 70 Cb 0.19 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1gfu s THR 70 CO 0.56 0.01 1.30 -2.84 -0.69 0.00 0.00 174.62 172.97 1gfu s PRO 71 N 2.11 3.79 -1.52 4.92 0.02 -1.26 -3.60 135.00 139.46 1gfu s PRO 71 Ca 0.43 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.55 1gfu s PRO 71 Cb -0.17 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1gfu s PRO 71 CO 0.14 -0.63 0.07 0.41 -0.33 0.00 0.00 177.00 176.66 1gfu n GLY 72 N 0.63 -0.18 3.87 0.52 0.00 -1.26 -4.94 105.19 103.83 1gfu n GLY 72 Ca 0.05 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1gfu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfu s ALA 73 N -4.31 3.71 0.48 4.61 0.00 -1.24 -5.00 121.76 120.01 1gfu s ALA 73 Ca 0.04 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1gfu s ALA 73 Cb -0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1gfu s ALA 73 CO 1.00 0.29 0.01 0.14 0.00 0.00 0.00 175.76 177.20 1gfu s VAL 74 N -2.02 1.30 -0.40 0.00 -7.23 -0.11 -5.00 120.40 106.95 1gfu s VAL 74 Ca 0.33 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 1gfu s VAL 74 Cb -0.09 -2.36 0.24 0.00 0.56 0.00 0.00 36.38 34.74 1gfu s VAL 74 CO 0.26 0.00 0.53 -3.20 -0.31 0.00 0.00 175.10 172.38 1gfu n ASN 75 N -1.20 -0.04 0.09 4.85 5.15 -1.21 -3.78 115.26 119.13 1gfu n ASN 75 Ca -0.15 -2.70 0.11 0.00 -0.60 0.00 0.00 54.58 51.24 1gfu n ASN 75 Cb 0.67 -0.50 0.59 0.00 -0.53 0.00 0.00 39.78 40.01 1gfu n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfu h ALA 76 N 4.11 2.07 -0.00 5.20 0.00 -0.90 -0.80 119.26 128.94 1gfu h ALA 76 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gfu h ALA 76 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gfu h ALA 76 CO 0.45 -0.14 -0.23 0.00 0.00 0.00 0.00 179.25 179.33 1gfu n HIS 78 N -1.26 -2.00 -3.96 0.00 -0.00 -0.31 -4.95 115.22 102.74 1gfu n HIS 78 Ca 0.09 0.79 -0.09 0.00 -0.00 0.00 0.00 57.72 58.51 1gfu n HIS 78 Cb 0.32 -4.27 -0.11 0.00 -0.00 0.00 0.00 29.99 25.94 1gfu n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfu s LEU 79 N -6.46 2.08 0.38 2.41 1.43 -1.26 -5.06 118.68 112.19 1gfu s LEU 79 Ca 0.13 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 1gfu s LEU 79 Cb -0.03 0.26 -0.09 0.00 0.03 0.00 0.00 46.19 46.35 1gfu s LEU 79 CO 0.80 -0.34 1.07 -0.55 0.23 0.00 0.00 176.35 177.56 1gfu s SER 80 N -1.56 6.82 0.59 2.29 0.15 -1.26 -1.00 113.70 119.74 1gfu s SER 80 Ca -0.14 2.11 0.39 0.00 0.70 0.00 0.00 55.95 59.01 1gfu s SER 80 Cb -0.08 -2.60 1.99 0.00 -1.71 0.00 0.00 66.02 63.62 1gfu s SER 80 CO -0.01 -0.45 2.18 0.00 1.20 0.00 0.00 173.24 176.16 1gfu h SER 82 N 0.00 0.27 0.47 0.00 0.87 -1.90 -0.41 113.55 112.85 1gfu h SER 82 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1gfu h SER 82 Cb 0.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1gfu h SER 82 CO 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 176.83 176.64 1gfu h ALA 83 N 1.69 1.00 -0.38 6.23 0.00 -1.53 -0.96 119.26 125.32 1gfu h ALA 83 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gfu h ALA 83 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gfu h ALA 83 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1gfu n LEU 84 N -3.08 2.09 -0.06 0.00 4.77 -0.16 -3.70 117.00 116.86 1gfu n LEU 84 Ca -0.01 -1.05 0.05 0.00 -0.03 0.00 0.00 56.01 54.97 1gfu n LEU 84 Cb 0.18 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1gfu n LEU 84 CO 0.23 0.51 0.51 0.18 -1.33 0.00 0.00 177.39 177.49 1gfu n LEU 85 N 0.61 1.97 -4.86 2.23 4.77 -0.36 -3.19 117.00 118.18 1gfu n LEU 85 Ca 0.13 -2.38 -0.31 0.00 -0.03 0.00 0.00 56.01 53.42 1gfu n LEU 85 Cb 0.33 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1gfu n LEU 85 CO 0.09 0.56 0.58 -1.10 -1.33 0.00 0.00 177.39 176.19 1gfu s GLN 86 N -1.80 3.83 0.30 3.23 -0.21 -1.24 -4.66 119.66 119.10 1gfu s GLN 86 Ca 0.15 0.70 0.06 0.00 0.02 0.00 0.00 55.36 56.29 1gfu s GLN 86 Cb 0.13 -2.25 0.46 0.00 1.00 0.00 0.00 33.01 32.36 1gfu s GLN 86 CO 0.01 -0.20 1.71 -0.44 -2.12 0.00 0.00 175.29 174.25 1gfu h ASP 87 N 0.90 0.28 -3.18 5.90 5.19 -1.94 -3.41 116.42 120.16 1gfu h ASP 87 Ca -0.47 -0.11 -0.58 0.00 -0.62 0.00 0.00 57.03 55.25 1gfu h ASP 87 Cb 1.19 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 1gfu h ASP 87 CO 0.62 0.64 0.64 0.21 -3.12 0.00 0.00 179.24 178.24 1gfu s ASN 88 N -6.87 7.05 -0.06 6.45 3.84 -1.26 -4.88 114.94 119.21 1gfu s ASN 88 Ca -0.05 1.30 0.13 0.00 0.21 0.00 0.00 52.86 54.45 1gfu s ASN 88 Cb 0.13 -2.51 0.47 0.00 -0.55 0.00 0.00 41.25 38.79 1gfu s ASN 88 CO 0.77 -0.57 1.34 2.30 -2.79 0.00 0.00 177.10 178.15 1gfu n ILE 89 N 5.11 1.08 -0.04 -5.21 -5.35 -1.26 -4.45 119.36 109.24 1gfu n ILE 89 Ca 0.09 -0.74 -0.09 0.00 -0.27 0.00 0.00 62.75 61.74 1gfu n ILE 89 Cb 0.47 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.40 1gfu n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfu h ALA 90 N 3.66 0.13 -0.67 -1.28 0.00 -1.95 0.44 119.26 119.60 1gfu h ALA 90 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1gfu h ALA 90 Cb 0.96 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1gfu h ALA 90 CO 0.12 -0.47 0.11 -0.44 0.00 0.00 0.00 179.25 178.57 1gfu h ASP 91 N 0.01 1.06 -0.69 0.00 3.45 -1.86 -0.62 116.42 117.77 1gfu h ASP 91 Ca 0.09 -0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.25 1gfu h ASP 91 Cb 0.14 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 1gfu h ASP 91 CO -0.19 1.05 0.27 0.00 -1.57 0.00 0.00 179.24 178.80 1gfu h ALA 92 N 1.05 1.14 -0.42 3.45 0.00 -1.68 -1.14 119.26 121.66 1gfu h ALA 92 Ca 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1gfu h ALA 92 Cb 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gfu h ALA 92 CO 0.01 0.62 0.04 0.28 0.00 0.00 0.00 179.25 180.20 1gfu h VAL 93 N 1.04 1.25 -0.90 0.00 2.07 -0.59 0.19 116.25 119.31 1gfu h VAL 93 Ca 0.24 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1gfu h VAL 93 Cb 0.22 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1gfu h VAL 93 CO -0.02 0.32 0.59 0.00 0.02 0.00 0.00 177.57 178.49 1gfu h ALA 94 N 0.92 1.42 -0.12 1.67 0.00 -0.62 -0.32 119.26 122.21 1gfu h ALA 94 Ca 0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1gfu h ALA 94 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gfu h ALA 94 CO 0.01 0.49 -0.45 0.00 0.00 0.00 0.00 179.25 179.31 1gfu h ALA 96 N 0.50 1.69 -0.37 0.00 0.00 -0.10 0.41 119.26 121.39 1gfu h ALA 96 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1gfu h ALA 96 Cb 1.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1gfu h ALA 96 CO 0.09 0.21 -0.24 0.87 0.00 0.00 0.00 179.25 180.18 1gfu h LYS 97 N 0.76 0.75 -0.65 0.00 1.57 -1.03 -2.38 116.57 115.60 1gfu h LYS 97 Ca 0.30 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1gfu h LYS 97 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1gfu h LYS 97 CO -0.10 0.92 0.18 -0.09 -0.57 0.00 0.00 179.45 179.79 1gfu h ARG 98 N 0.65 1.03 0.12 3.15 9.65 -0.54 -2.46 114.38 125.97 1gfu h ARG 98 Ca 0.09 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1gfu h ARG 98 Cb 0.75 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1gfu h ARG 98 CO 0.06 0.91 -0.06 0.28 2.80 0.00 0.00 179.97 183.96 1gfu h VAL 99 N 0.95 0.87 0.00 0.20 2.07 -0.75 -2.85 116.25 116.75 1gfu h VAL 99 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1gfu h VAL 99 Cb 0.33 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1gfu h VAL 99 CO -0.00 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1gfu n VAL 100 N -5.16 0.55 0.30 2.57 0.24 -0.92 -2.07 118.33 113.84 1gfu n VAL 100 Ca -0.08 0.14 0.16 0.00 -2.04 0.00 0.00 64.34 62.51 1gfu n VAL 100 Cb 0.09 -0.83 0.56 0.00 -1.47 0.00 0.00 33.84 32.20 1gfu n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfu h ARG 101 N 0.00 0.00 -7.42 7.34 3.08 -1.19 -3.35 114.38 112.85 1gfu h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1gfu h ARG 101 Cb 0.23 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.41 1gfu h ARG 101 CO 0.00 0.00 0.30 -0.51 -1.07 0.00 0.00 179.97 178.69 1gfu s ASP 102 N -5.55 3.85 0.21 7.04 -0.00 -0.88 -4.94 116.67 116.40 1gfu s ASP 102 Ca 0.03 1.23 -0.14 0.00 -0.00 0.00 0.00 52.55 53.66 1gfu s ASP 102 Cb 0.08 -1.90 0.22 0.00 -0.00 0.00 0.00 42.92 41.33 1gfu s ASP 102 CO 0.55 -2.37 1.62 -0.65 -0.00 0.00 0.00 175.17 174.32 1gfu h PRO 103 N -1.37 -0.02 -0.00 8.23 0.11 -1.88 -1.84 132.00 135.23 1gfu h PRO 103 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gfu h PRO 103 Cb 1.30 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1gfu h PRO 103 CO 0.59 -0.02 0.00 1.96 -0.21 0.00 0.00 178.00 180.33 1gfu h GLN 104 N -0.03 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.94 1gfu h GLN 104 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1gfu h GLN 104 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1gfu h GLN 104 CO -0.65 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.92 1gfu n GLY 105 N -1.42 2.37 0.33 3.46 0.00 -0.69 -2.12 105.19 107.12 1gfu n GLY 105 Ca -0.03 -0.49 0.22 0.00 0.00 0.00 0.00 46.02 45.72 1gfu n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfu h ILE 106 N 0.00 0.05 0.00 -0.61 6.09 -1.91 -1.91 117.51 119.22 1gfu h ILE 106 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1gfu h ILE 106 Cb 0.00 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.31 1gfu h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gfu n ARG 107 N -3.15 0.23 0.19 2.19 1.74 -0.90 -3.10 116.66 113.86 1gfu n ARG 107 Ca -0.03 0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.32 1gfu n ARG 107 Cb 0.08 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 30.76 1gfu n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfu h ALA 108 N 2.79 2.01 -2.66 7.54 0.00 -1.51 -3.38 119.26 124.06 1gfu h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1gfu h ALA 108 Cb 0.16 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.80 1gfu h ALA 108 CO 0.00 -0.23 -0.33 -1.58 0.00 0.00 0.00 179.25 177.11 1gfu s TRP 109 N -4.89 3.22 0.29 0.00 0.51 -1.18 -4.96 118.94 111.93 1gfu s TRP 109 Ca -0.05 0.02 -0.00 0.00 -2.12 0.00 0.00 56.10 53.94 1gfu s TRP 109 Cb 0.17 -2.60 0.49 0.00 -0.81 0.00 0.00 33.47 30.71 1gfu s TRP 109 CO 0.64 -0.37 1.92 0.22 -0.51 0.00 0.00 176.95 178.85 1gfu h ASP 110 N 8.42 0.94 -0.81 2.95 -0.00 -1.90 -1.23 116.42 124.79 1gfu h ASP 110 Ca -0.31 -0.00 0.15 0.00 -0.00 0.00 0.00 57.03 56.87 1gfu h ASP 110 Cb 1.15 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.33 40.22 1gfu h ASP 110 CO 0.67 0.62 0.54 0.00 -0.00 0.00 0.00 179.24 181.06 1gfu h ALA 111 N 1.49 2.00 -0.63 -0.78 0.00 -1.94 0.14 119.26 119.54 1gfu h ALA 111 Ca 0.38 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1gfu h ALA 111 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1gfu h ALA 111 CO -0.13 -0.22 0.16 2.35 0.00 0.00 0.00 179.25 181.41 1gfu h TRP 112 N 0.53 1.05 -0.67 0.00 7.01 -1.54 0.47 115.95 122.80 1gfu h TRP 112 Ca 0.40 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 1gfu h TRP 112 Cb 0.80 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1gfu h TRP 112 CO -0.00 0.88 0.36 0.00 -2.79 0.00 0.00 178.44 176.89 1gfu h ARG 113 N 0.92 0.94 0.00 2.65 3.08 -0.68 0.11 114.38 121.40 1gfu h ARG 113 Ca 0.20 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.92 1gfu h ARG 113 Cb 0.35 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1gfu h ARG 113 CO 0.00 0.72 -1.03 -0.91 -1.07 0.00 0.00 179.97 177.68 1gfu h ASN 114 N 0.92 0.00 -0.00 7.04 2.35 -1.10 -3.35 115.58 121.44 1gfu h ASN 114 Ca 0.24 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1gfu h ASN 114 Cb 0.05 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1gfu h ASN 114 CO -0.04 1.00 -0.08 0.54 -1.65 0.00 0.00 177.43 177.20 1gfu n ARG 115 N -3.34 4.66 0.00 0.81 5.12 0.14 -4.84 116.66 119.20 1gfu n ARG 115 Ca -0.01 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1gfu n ARG 115 Cb 0.94 -0.71 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1gfu n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gfu n GLN 117 N -1.63 2.62 -3.35 0.00 7.27 0.02 -2.10 117.38 120.21 1gfu n GLN 117 Ca 0.00 0.95 -0.24 0.00 0.07 0.00 0.00 57.00 57.78 1gfu n GLN 117 Cb 0.29 -2.80 0.02 0.00 2.41 0.00 0.00 30.24 30.17 1gfu n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gfu n ASN 118 N 4.61 -5.11 -4.57 1.69 5.03 -1.26 -4.95 115.26 110.69 1gfu n ASN 118 Ca 0.17 -0.43 -0.24 0.00 0.87 0.00 0.00 54.58 54.95 1gfu n ASN 118 Cb 0.34 -4.13 -0.09 0.00 -1.02 0.00 0.00 39.78 34.88 1gfu n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfu s ARG 119 N -6.03 1.99 -0.68 3.52 1.81 -0.89 -5.07 118.95 113.60 1gfu s ARG 119 Ca 0.43 -1.64 -0.25 0.00 -1.72 0.00 0.00 55.73 52.56 1gfu s ARG 119 Cb -0.21 -1.95 0.05 0.00 -0.45 0.00 0.00 34.95 32.40 1gfu s ARG 119 CO 0.53 0.30 1.09 0.34 -0.68 0.00 0.00 175.30 176.89 1gfu s ASP 120 N -3.61 6.19 -0.01 0.23 -1.08 -1.26 -4.87 116.67 112.26 1gfu s ASP 120 Ca 0.31 -0.70 0.21 0.00 -0.52 0.00 0.00 52.55 51.85 1gfu s ASP 120 Cb -0.04 -2.48 0.61 0.00 -1.46 0.00 0.00 42.92 39.55 1gfu s ASP 120 CO 0.18 -1.59 1.51 1.33 0.52 0.00 0.00 175.17 177.12 1gfu n VAL 121 N 6.14 1.05 -0.32 1.11 0.24 -1.26 -4.57 118.33 120.72 1gfu n VAL 121 Ca -0.00 -1.01 0.09 0.00 -2.04 0.00 0.00 64.34 61.37 1gfu n VAL 121 Cb 0.47 0.48 0.26 0.00 -1.47 0.00 0.00 33.84 33.57 1gfu n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfu h ARG 122 N 4.01 0.71 -0.09 7.34 3.08 -1.94 -1.07 114.38 126.42 1gfu h ARG 122 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1gfu h ARG 122 Cb 0.99 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1gfu h ARG 122 CO 0.01 0.47 0.30 -0.56 -1.07 0.00 0.00 179.97 179.12 1gfu h GLN 123 N 0.73 0.00 0.00 0.04 3.07 -1.96 -1.11 115.11 115.88 1gfu h GLN 123 Ca 0.51 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.11 1gfu h GLN 123 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 1gfu h GLN 123 CO -0.35 0.00 -0.64 1.88 0.09 0.00 0.00 178.83 179.81 1gfu h TYR 124 N 0.00 0.00 -0.02 0.06 0.05 -1.54 -3.32 116.97 112.20 1gfu h TYR 124 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gfu h TYR 124 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1gfu h TYR 124 CO 0.00 0.64 0.00 1.33 -1.05 0.00 0.00 178.16 179.08 1gfu n VAL 125 N -3.64 0.09 -1.97 -2.88 0.24 -0.50 -4.81 118.33 104.86 1gfu n VAL 125 Ca -0.01 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1gfu n VAL 125 Cb 0.66 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 34.04 1gfu n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfu s GLN 126 N -0.43 4.24 0.00 7.34 -1.52 -0.75 -2.48 119.66 126.06 1gfu s GLN 126 Ca 0.06 2.34 0.00 0.00 -1.95 0.00 0.00 55.36 55.80 1gfu s GLN 126 Cb 0.04 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1gfu s GLN 126 CO 0.06 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.02 1gfu n GLY 127 N 2.63 0.81 0.20 3.09 0.00 -1.26 -4.90 105.19 105.76 1gfu n GLY 127 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1gfu n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfu n GLY 129 N 1.38 0.02 0.37 0.00 0.00 -1.26 -4.80 105.19 100.90 1gfu n GLY 129 Ca 0.11 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1gfu n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65