#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7o s VAL 2 N 0.00 4.04 0.44 3.15 1.01 -1.26 -1.26 120.40 126.52 1b7o s VAL 2 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 1b7o s VAL 2 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1b7o s VAL 2 CO 0.00 -0.34 1.16 -0.36 0.00 0.00 0.00 175.10 175.56 1b7o s PHE 3 N 1.42 2.94 0.15 5.22 0.08 -0.21 -5.01 117.98 122.57 1b7o s PHE 3 Ca 0.01 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.46 1b7o s PHE 3 Cb -0.21 -3.37 -0.07 0.00 -0.57 0.00 0.00 43.02 38.80 1b7o s PHE 3 CO 0.03 -1.43 0.56 -1.21 -0.10 0.00 0.00 175.22 173.07 1b7o s GLU 4 N -2.60 4.00 0.01 0.44 2.02 -1.26 -4.85 118.70 116.46 1b7o s GLU 4 Ca 0.62 0.51 -0.01 0.00 0.02 0.00 0.00 54.97 56.11 1b7o s GLU 4 Cb -0.29 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 1b7o s GLU 4 CO 0.35 0.47 0.87 -2.13 0.02 0.00 0.00 175.26 174.84 1b7o n ARG 5 N 0.77 -0.02 0.07 1.61 0.63 -1.26 -1.49 116.66 116.98 1b7o n ARG 5 Ca -0.05 0.86 0.03 0.00 -0.92 0.00 0.00 57.85 57.78 1b7o n ARG 5 Cb 0.52 -1.29 0.42 0.00 0.45 0.00 0.00 32.46 32.55 1b7o n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b7o h GLU 7 N 0.38 0.58 -0.61 0.00 4.81 -1.81 -2.34 114.58 115.58 1b7o h GLU 7 Ca 0.09 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1b7o h GLU 7 Cb 0.14 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1b7o h GLU 7 CO -0.00 0.38 0.03 1.25 -0.73 0.00 0.00 179.01 179.93 1b7o h LEU 8 N 0.59 1.03 -0.55 1.64 5.85 -0.55 -2.06 115.31 121.27 1b7o h LEU 8 Ca 0.16 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1b7o h LEU 8 Cb -0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1b7o h LEU 8 CO -0.04 1.07 0.31 0.00 -0.34 0.00 0.00 178.44 179.45 1b7o h ALA 9 N 1.00 0.70 -0.03 1.25 0.00 -0.92 0.22 119.26 121.47 1b7o h ALA 9 Ca 0.18 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1b7o h ALA 9 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1b7o h ALA 9 CO 0.03 0.01 -0.51 0.00 0.00 0.00 0.00 179.25 178.78 1b7o h ARG 10 N 0.62 0.09 -0.18 0.00 3.08 -1.41 -0.93 114.38 115.65 1b7o h ARG 10 Ca 0.23 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1b7o h ARG 10 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1b7o h ARG 10 CO -0.12 0.58 -0.02 1.15 -1.07 0.00 0.00 179.97 180.49 1b7o h THR 11 N 0.07 1.27 -0.57 2.04 2.02 -0.60 -0.43 112.91 116.71 1b7o h THR 11 Ca -0.00 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1b7o h THR 11 Cb 0.93 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1b7o h THR 11 CO 0.07 0.28 0.26 -0.07 0.37 0.00 0.00 175.52 176.43 1b7o h LEU 12 N 0.06 0.77 -0.71 2.58 3.38 -0.84 -2.31 115.31 118.24 1b7o h LEU 12 Ca 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1b7o h LEU 12 Cb 0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1b7o h LEU 12 CO 0.01 0.70 0.47 0.50 0.09 0.00 0.00 178.44 180.21 1b7o h LYS 13 N 0.78 0.93 0.00 1.13 3.64 -1.03 -1.70 116.57 120.33 1b7o h LYS 13 Ca 0.20 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1b7o h LYS 13 Cb 0.15 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1b7o h LYS 13 CO -0.02 0.61 -0.11 0.00 -2.27 0.00 0.00 179.45 177.66 1b7o h ARG 14 N 0.96 0.00 -0.15 1.90 3.08 -0.72 -2.58 114.38 116.86 1b7o h ARG 14 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1b7o h ARG 14 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1b7o h ARG 14 CO -0.06 0.11 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1b7o n LEU 15 N -3.37 1.42 0.00 3.04 4.77 -0.68 -4.93 117.00 117.25 1b7o n LEU 15 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1b7o n LEU 15 Cb 0.30 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1b7o n LEU 15 CO 0.29 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1b7o n GLY 16 N 1.07 0.61 0.11 -0.72 0.00 -0.97 -4.99 105.19 100.29 1b7o n GLY 16 Ca 0.15 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1b7o n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b7o h MET 17 N 0.00 0.00 -6.13 1.61 2.86 -1.62 -3.40 114.93 108.25 1b7o h MET 17 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1b7o h MET 17 Cb 0.30 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1b7o h MET 17 CO 0.00 0.00 1.29 0.34 1.06 0.00 0.00 176.91 179.60 1b7o s ASP 18 N -4.97 5.57 0.00 1.22 2.15 -1.26 -2.51 116.67 116.87 1b7o s ASP 18 Ca 0.03 0.60 0.00 0.00 0.43 0.00 0.00 52.55 53.61 1b7o s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1b7o s ASP 18 CO 0.75 -2.09 0.00 0.61 -0.17 0.00 0.00 175.17 174.27 1b7o n GLY 19 N 5.55 0.74 3.68 2.66 0.00 0.34 -4.90 105.19 113.26 1b7o n GLY 19 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1b7o n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b7o n TYR 20 N -2.36 2.40 -3.77 1.61 9.36 -1.04 -0.02 117.16 123.34 1b7o n TYR 20 Ca 0.00 -0.10 -0.29 0.00 3.32 0.00 0.00 57.90 60.83 1b7o n TYR 20 Cb 0.00 -2.70 0.02 0.00 -0.63 0.00 0.00 39.34 36.03 1b7o n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1b7o n ARG 21 N 6.59 -5.27 -0.97 2.98 5.12 -1.26 -1.29 116.66 122.56 1b7o n ARG 21 Ca 0.21 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1b7o n ARG 21 Cb 0.33 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.15 1b7o n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b7o n GLY 22 N -1.62 0.35 3.57 -0.13 0.00 0.97 -4.99 105.19 103.33 1b7o n GLY 22 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1b7o n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b7o s ILE 23 N -1.78 5.14 0.72 -0.61 1.01 -0.41 -4.89 121.20 120.39 1b7o s ILE 23 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 1b7o s ILE 23 Cb 0.00 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1b7o s ILE 23 CO 0.00 -0.03 1.13 -0.94 0.00 0.00 0.00 174.94 175.11 1b7o s SER 24 N 1.71 4.55 0.34 3.58 1.04 -1.26 -0.50 113.70 123.15 1b7o s SER 24 Ca 0.14 2.07 0.03 0.00 0.48 0.00 0.00 55.95 58.67 1b7o s SER 24 Cb -0.16 -2.56 0.64 0.00 0.10 0.00 0.00 66.02 64.04 1b7o s SER 24 CO 0.11 -2.01 1.96 0.25 0.98 0.00 0.00 173.24 174.53 1b7o h LEU 25 N -0.46 0.77 -1.28 2.42 5.85 -1.91 -1.72 115.31 118.97 1b7o h LEU 25 Ca -0.46 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1b7o h LEU 25 Cb 1.26 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1b7o h LEU 25 CO 0.51 0.51 0.48 0.00 -0.34 0.00 0.00 178.44 179.60 1b7o h ALA 26 N 1.57 1.48 -0.39 1.25 0.00 -1.91 -0.71 119.26 120.54 1b7o h ALA 26 Ca 0.32 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1b7o h ALA 26 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1b7o h ALA 26 CO -0.10 0.48 -0.13 -0.91 0.00 0.00 0.00 179.25 178.60 1b7o h ASN 27 N 0.98 0.79 -0.68 0.00 2.35 -1.64 -1.56 115.58 115.81 1b7o h ASN 27 Ca 0.26 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1b7o h ASN 27 Cb -0.11 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 1b7o h ASN 27 CO -0.06 0.99 0.24 -0.50 -1.65 0.00 0.00 177.43 176.45 1b7o h TRP 28 N 0.58 1.09 -0.44 1.19 4.06 -1.22 -1.22 115.95 119.98 1b7o h TRP 28 Ca 0.09 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1b7o h TRP 28 Cb 0.66 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 1b7o h TRP 28 CO 0.05 0.85 0.16 0.52 -3.56 0.00 0.00 178.44 176.46 1b7o h MET 29 N 1.03 0.68 -0.74 0.49 2.86 -1.01 -1.90 114.93 116.34 1b7o h MET 29 Ca 0.23 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1b7o h MET 29 Cb 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1b7o h MET 29 CO -0.01 0.64 0.37 0.00 1.06 0.00 0.00 176.91 178.96 1b7o h LEU 31 N 1.04 -0.43 -1.08 0.00 5.85 -0.98 -1.79 115.31 117.92 1b7o h LEU 31 Ca 0.26 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1b7o h LEU 31 Cb 0.08 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1b7o h LEU 31 CO -0.04 -0.20 0.59 0.00 -0.34 0.00 0.00 178.44 178.45 1b7o h ALA 32 N -0.09 1.33 0.41 1.25 0.00 -1.25 0.15 119.26 121.06 1b7o h ALA 32 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1b7o h ALA 32 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1b7o h ALA 32 CO 0.09 0.61 -0.20 -0.22 0.00 0.00 0.00 179.25 179.53 1b7o h LYS 33 N 1.24 -0.54 0.00 0.00 1.63 -1.20 -1.56 116.57 116.14 1b7o h LYS 33 Ca 0.33 0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 60.09 1b7o h LYS 33 Cb -0.12 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1b7o h LYS 33 CO -0.07 -0.35 -0.38 -1.49 -3.45 0.00 0.00 179.45 173.71 1b7o h TRP 34 N -0.57 0.00 0.13 1.91 4.06 -1.07 0.98 115.95 121.40 1b7o h TRP 34 Ca -0.06 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.59 1b7o h TRP 34 Cb 0.43 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.62 1b7o h TRP 34 CO -0.05 0.38 -1.27 0.93 -3.56 0.00 0.00 178.44 174.88 1b7o h GLU 35 N 0.00 0.60 0.00 0.49 4.39 -0.69 -3.42 114.58 115.95 1b7o h GLU 35 Ca -0.00 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 58.87 1b7o h GLU 35 Cb 1.11 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1b7o h GLU 35 CO 0.05 1.38 0.00 -1.13 -1.16 0.00 0.00 179.01 178.15 1b7o n SER 36 N -3.77 0.00 -2.92 1.42 3.41 -0.61 -4.82 113.62 106.33 1b7o n SER 36 Ca -0.14 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.27 1b7o n SER 36 Cb 1.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1b7o n SER 36 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1b7o n GLN 37 N 0.00 -5.33 -2.98 4.33 7.27 0.34 -2.39 117.38 118.62 1b7o n GLN 37 Ca 0.00 0.81 -0.20 0.00 0.07 0.00 0.00 57.00 57.68 1b7o n GLN 37 Cb 0.34 -5.53 0.04 0.00 2.41 0.00 0.00 30.24 27.49 1b7o n GLN 37 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1b7o n TYR 38 N -4.52 -1.82 -3.80 3.69 0.53 -1.14 -4.80 117.16 105.30 1b7o n TYR 38 Ca -0.07 0.50 -0.37 0.00 -1.02 0.00 0.00 57.90 56.95 1b7o n TYR 38 Cb 0.59 -4.16 -0.13 0.00 -1.03 0.00 0.00 39.34 34.62 1b7o n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1b7o s ASN 39 N -2.79 5.04 0.57 7.72 2.47 -1.01 -1.05 114.94 125.90 1b7o s ASN 39 Ca 0.29 -0.88 0.35 0.00 0.42 0.00 0.00 52.86 53.05 1b7o s ASN 39 Cb -0.13 -1.83 1.61 0.00 -1.45 0.00 0.00 41.25 39.45 1b7o s ASN 39 CO 0.36 -0.22 2.08 0.71 -3.72 0.00 0.00 177.10 176.31 1b7o h THR 40 N 6.02 0.07 -0.52 -5.21 1.35 -1.50 -2.87 112.91 110.25 1b7o h THR 40 Ca -0.29 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1b7o h THR 40 Cb 1.11 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1b7o h THR 40 CO 0.59 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.78 1b7o n ARG 41 N -3.15 3.93 -2.30 4.72 -4.01 -1.26 -3.95 116.66 110.65 1b7o n ARG 41 Ca -0.00 -2.93 -0.38 0.00 -1.04 0.00 0.00 57.85 53.50 1b7o n ARG 41 Cb 0.25 -1.98 -0.02 0.00 -3.04 0.00 0.00 32.46 27.68 1b7o n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b7o s ALA 42 N -2.31 3.12 -0.04 2.89 0.00 -1.09 -4.83 121.76 119.49 1b7o s ALA 42 Ca 0.49 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1b7o s ALA 42 Cb 0.35 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1b7o s ALA 42 CO 0.18 -0.54 0.34 0.95 0.00 0.00 0.00 175.76 176.69 1b7o s THR 43 N -1.44 0.04 -0.11 0.00 -4.23 -1.26 -0.72 115.64 107.92 1b7o s THR 43 Ca 0.58 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1b7o s THR 43 Cb -0.30 -0.62 0.05 0.00 1.34 0.00 0.00 72.50 72.98 1b7o s THR 43 CO 0.38 -0.20 0.15 0.20 -0.54 0.00 0.00 174.62 174.61 1b7o s ASN 44 N -1.03 1.09 0.10 3.99 -0.87 -0.79 -4.96 114.94 112.47 1b7o s ASN 44 Ca -0.11 0.10 -0.25 0.00 -1.57 0.00 0.00 52.86 51.03 1b7o s ASN 44 Cb -0.04 0.19 -0.06 0.00 -0.02 0.00 0.00 41.25 41.31 1b7o s ASN 44 CO 0.04 -0.27 0.77 -0.47 -2.57 0.00 0.00 177.10 174.60 1b7o s TYR 45 N 2.27 3.81 -0.71 2.20 6.14 -1.26 -0.66 117.35 129.14 1b7o s TYR 45 Ca 0.04 1.55 -0.05 0.00 0.64 0.00 0.00 57.07 59.24 1b7o s TYR 45 Cb -0.13 -2.80 0.18 0.00 0.42 0.00 0.00 41.96 39.63 1b7o s TYR 45 CO -0.07 0.37 0.56 -0.80 0.64 0.00 0.00 175.55 176.26 1b7o s ASN 46 N -0.50 5.68 0.50 4.32 0.01 0.91 -4.93 114.94 120.93 1b7o s ASN 46 Ca 0.38 -2.95 0.22 0.00 -0.71 0.00 0.00 52.86 49.79 1b7o s ASN 46 Cb -0.22 -1.94 1.30 0.00 0.41 0.00 0.00 41.25 40.80 1b7o s ASN 46 CO 0.24 -0.39 2.00 0.00 -1.51 0.00 0.00 177.10 177.45 1b7o h ALA 47 N 7.04 2.35 -0.87 0.60 0.00 -1.96 0.80 119.26 127.22 1b7o h ALA 47 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1b7o h ALA 47 Cb 0.95 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1b7o h ALA 47 CO 0.74 -0.49 0.50 0.78 0.00 0.00 0.00 179.25 180.78 1b7o h GLY 48 N 0.11 1.27 -0.31 0.00 0.00 -1.95 -3.27 103.07 98.92 1b7o h GLY 48 Ca 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1b7o h GLY 48 CO -0.03 0.53 -0.16 2.09 0.00 0.00 0.00 176.54 178.98 1b7o n ASP 49 N -4.35 1.40 -1.70 0.19 5.75 -0.96 -5.02 116.55 111.87 1b7o n ASP 49 Ca 0.09 -2.47 -0.21 0.00 -0.01 0.00 0.00 54.79 52.20 1b7o n ASP 49 Cb 0.08 -0.28 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 1b7o n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b7o n ARG 50 N -0.78 -1.48 -3.36 0.11 1.74 0.23 -4.85 116.66 108.28 1b7o n ARG 50 Ca 0.08 1.21 -0.19 0.00 -0.77 0.00 0.00 57.85 58.17 1b7o n ARG 50 Cb 0.60 -5.63 -0.01 0.00 -1.02 0.00 0.00 32.46 26.40 1b7o n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b7o s SER 51 N -2.69 5.35 0.00 0.55 1.04 -1.14 -4.49 113.70 112.33 1b7o s SER 51 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1b7o s SER 51 Cb 0.00 -0.67 -0.00 0.00 0.10 0.00 0.00 66.02 65.45 1b7o s SER 51 CO 0.00 -0.66 -0.02 -0.89 0.98 0.00 0.00 173.24 172.64 1b7o s THR 52 N -2.40 0.15 -0.12 2.02 2.01 -1.26 -0.06 115.64 115.98 1b7o s THR 52 Ca 0.50 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 1b7o s THR 52 Cb -0.06 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1b7o s THR 52 CO 0.30 -0.04 0.27 -1.81 -0.69 0.00 0.00 174.62 172.66 1b7o s ASP 53 N -0.26 6.49 -0.07 3.53 1.01 0.17 -1.06 116.67 126.48 1b7o s ASP 53 Ca -0.02 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.86 1b7o s ASP 53 Cb -0.02 -2.17 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 1b7o s ASP 53 CO -0.00 0.22 -0.21 -0.31 0.21 0.00 0.00 175.17 175.07 1b7o s TYR 54 N -0.17 2.21 0.00 4.23 2.02 0.37 -1.89 117.35 124.11 1b7o s TYR 54 Ca 0.17 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1b7o s TYR 54 Cb -0.13 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1b7o s TYR 54 CO 0.05 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 1b7o n GLY 55 N 3.31 -1.66 0.27 0.71 0.00 0.10 -1.75 105.19 106.17 1b7o n GLY 55 Ca -0.19 -1.33 0.10 0.00 0.00 0.00 0.00 46.02 44.60 1b7o n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7o h ILE 56 N 0.00 0.85 -0.12 -0.61 2.10 -1.66 -1.44 117.51 116.63 1b7o h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1b7o h ILE 56 Cb 0.00 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1b7o h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1b7o n PHE 57 N -4.26 0.14 -3.77 2.19 0.99 -1.26 -4.09 117.46 107.40 1b7o n PHE 57 Ca -0.03 -0.10 -0.28 0.00 -0.00 0.00 0.00 57.45 57.04 1b7o n PHE 57 Cb 0.11 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.61 1b7o n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1b7o n GLN 58 N 0.96 -2.41 -2.69 -1.08 1.13 -0.54 -4.92 117.38 107.83 1b7o n GLN 58 Ca 0.11 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1b7o n GLN 58 Cb 0.44 -4.41 -0.03 0.00 0.11 0.00 0.00 30.24 26.35 1b7o n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b7o s ILE 59 N -3.65 4.74 0.19 5.09 1.01 -0.72 -4.42 121.20 123.43 1b7o s ILE 59 Ca 0.26 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 1b7o s ILE 59 Cb -0.09 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1b7o s ILE 59 CO 0.86 0.18 0.95 0.21 0.00 0.00 0.00 174.94 177.14 1b7o s ASN 60 N 0.87 7.58 0.45 3.58 3.84 -1.26 -0.48 114.94 129.51 1b7o s ASN 60 Ca 0.52 1.89 0.31 0.00 0.21 0.00 0.00 52.86 55.79 1b7o s ASN 60 Cb -0.22 -2.60 1.37 0.00 -0.55 0.00 0.00 41.25 39.25 1b7o s ASN 60 CO 0.28 0.06 1.92 0.77 -2.79 0.00 0.00 177.10 177.34 1b7o h SER 61 N 4.76 0.00 -0.06 -4.21 4.64 -1.33 -2.75 113.55 114.59 1b7o h SER 61 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1b7o h SER 61 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1b7o h SER 61 CO 0.70 0.00 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.48 1b7o h ARG 62 N 0.00 0.34 0.00 4.77 2.43 -1.84 -3.39 114.38 116.69 1b7o h ARG 62 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1b7o h ARG 62 Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1b7o h ARG 62 CO 0.00 0.44 -0.55 0.66 -1.51 0.00 0.00 179.97 179.01 1b7o n TYR 63 N -4.27 0.00 -0.10 2.20 4.02 -1.21 -0.21 117.16 117.59 1b7o n TYR 63 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1b7o n TYR 63 Cb 0.26 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.44 1b7o n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1b7o n TRP 64 N -1.14 0.15 -4.01 -0.72 7.02 -1.04 -0.51 117.44 117.18 1b7o n TRP 64 Ca 0.00 0.04 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1b7o n TRP 64 Cb 0.18 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 27.94 1b7o n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b7o s ASN 66 N -2.48 5.73 0.00 0.00 2.47 -0.49 -4.55 114.94 115.62 1b7o s ASN 66 Ca 0.00 -0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.31 1b7o s ASN 66 Cb 0.02 -2.03 0.07 0.00 -1.45 0.00 0.00 41.25 37.86 1b7o s ASN 66 CO -0.07 0.02 0.82 -0.90 -3.72 0.00 0.00 177.10 173.25 1b7o n ASP 67 N 4.55 1.78 0.00 -4.21 5.75 -1.26 -1.92 116.55 121.24 1b7o n ASP 67 Ca -0.15 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1b7o n ASP 67 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1b7o n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7o n GLY 68 N 0.16 1.37 0.31 6.12 0.00 -1.26 -4.81 105.19 107.08 1b7o n GLY 68 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1b7o n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b7o n LYS 69 N -2.00 1.15 -4.04 1.61 2.85 -1.26 -4.98 118.16 111.49 1b7o n LYS 69 Ca 0.00 -2.54 -0.34 0.00 -1.05 0.00 0.00 58.31 54.38 1b7o n LYS 69 Cb 0.00 -1.34 -0.15 0.00 -0.65 0.00 0.00 35.03 32.89 1b7o n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b7o s THR 70 N -2.50 2.70 0.26 0.58 2.01 -1.26 -4.92 115.64 112.51 1b7o s THR 70 Ca 0.30 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 1b7o s THR 70 Cb 0.27 -2.19 -0.12 0.00 0.01 0.00 0.00 72.50 70.47 1b7o s THR 70 CO -0.01 0.48 1.55 -2.65 -0.69 0.00 0.00 174.62 173.31 1b7o n PRO 71 N 4.68 2.47 -2.23 4.92 -0.02 -1.26 -2.91 135.00 140.65 1b7o n PRO 71 Ca -0.20 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1b7o n PRO 71 Cb 0.50 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1b7o n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b7o n GLY 72 N 2.41 -0.21 3.88 -1.23 0.00 -1.26 -4.94 105.19 103.84 1b7o n GLY 72 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1b7o n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7o s ALA 73 N -2.39 3.15 0.52 4.61 0.00 -1.15 -5.04 121.76 121.46 1b7o s ALA 73 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1b7o s ALA 73 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1b7o s ALA 73 CO 0.00 -0.65 0.03 0.14 0.00 0.00 0.00 175.76 175.28 1b7o s VAL 74 N -3.11 1.13 -0.39 0.00 -7.23 0.71 -4.99 120.40 106.52 1b7o s VAL 74 Ca 0.54 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1b7o s VAL 74 Cb -0.11 -2.09 0.25 0.00 0.56 0.00 0.00 36.38 34.99 1b7o s VAL 74 CO 0.52 0.00 0.53 -3.20 -0.31 0.00 0.00 175.10 172.64 1b7o n ASN 75 N -1.33 0.04 0.25 4.85 5.15 -1.22 -3.84 115.26 119.16 1b7o n ASN 75 Ca -0.19 -2.70 0.09 0.00 -0.60 0.00 0.00 54.58 51.18 1b7o n ASN 75 Cb 0.67 -0.55 0.64 0.00 -0.53 0.00 0.00 39.78 40.01 1b7o n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b7o h ALA 76 N 4.06 1.62 -0.01 5.20 0.00 -0.85 -0.95 119.26 128.32 1b7o h ALA 76 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b7o h ALA 76 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1b7o h ALA 76 CO 0.45 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 1b7o n HIS 78 N -0.71 -1.90 -3.98 0.00 -0.00 -0.36 -4.95 115.22 103.32 1b7o n HIS 78 Ca 0.16 0.74 -0.09 0.00 -0.00 0.00 0.00 57.72 58.53 1b7o n HIS 78 Cb 0.29 -4.06 -0.10 0.00 -0.00 0.00 0.00 29.99 26.12 1b7o n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b7o s LEU 79 N -6.60 2.09 0.26 2.41 1.43 -1.26 -5.08 118.68 111.93 1b7o s LEU 79 Ca 0.13 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1b7o s LEU 79 Cb -0.04 0.33 -0.09 0.00 0.03 0.00 0.00 46.19 46.42 1b7o s LEU 79 CO 0.83 -0.43 0.96 -0.55 0.23 0.00 0.00 176.35 177.39 1b7o s SER 80 N -1.95 7.54 0.61 2.29 0.15 -1.26 -1.40 113.70 119.67 1b7o s SER 80 Ca -0.08 1.97 0.40 0.00 0.70 0.00 0.00 55.95 58.94 1b7o s SER 80 Cb -0.03 -2.61 2.16 0.00 -1.71 0.00 0.00 66.02 63.83 1b7o s SER 80 CO -0.04 0.07 2.21 0.00 1.20 0.00 0.00 173.24 176.69 1b7o h SER 82 N 0.00 0.51 -0.07 0.00 0.87 -1.90 -1.99 113.55 110.97 1b7o h SER 82 Ca 0.00 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1b7o h SER 82 Cb 0.07 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1b7o h SER 82 CO 0.00 0.49 0.09 0.00 -0.53 0.00 0.00 176.83 176.88 1b7o h ALA 83 N 1.59 1.60 -0.17 6.23 0.00 -1.26 0.51 119.26 127.76 1b7o h ALA 83 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1b7o h ALA 83 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b7o h ALA 83 CO -0.01 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1b7o n LEU 84 N -3.75 1.21 -0.15 0.00 4.77 -0.75 -3.56 117.00 114.77 1b7o n LEU 84 Ca -0.01 -0.55 0.05 0.00 -0.03 0.00 0.00 56.01 55.46 1b7o n LEU 84 Cb 0.19 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1b7o n LEU 84 CO 0.27 0.28 0.55 0.18 -1.33 0.00 0.00 177.39 177.34 1b7o n LEU 85 N 0.08 2.35 -4.86 2.23 4.77 0.17 -3.24 117.00 118.51 1b7o n LEU 85 Ca 0.12 -2.47 -0.31 0.00 -0.03 0.00 0.00 56.01 53.31 1b7o n LEU 85 Cb 0.23 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1b7o n LEU 85 CO 0.09 0.61 0.59 -1.10 -1.33 0.00 0.00 177.39 176.25 1b7o s GLN 86 N -1.82 3.85 0.28 3.23 -0.21 -1.23 -4.58 119.66 119.17 1b7o s GLN 86 Ca 0.17 0.74 0.05 0.00 0.02 0.00 0.00 55.36 56.34 1b7o s GLN 86 Cb 0.14 -2.23 0.41 0.00 1.00 0.00 0.00 33.01 32.33 1b7o s GLN 86 CO 0.03 -0.20 1.68 -0.44 -2.12 0.00 0.00 175.29 174.24 1b7o h ASP 87 N 0.93 0.31 -3.34 5.90 5.19 -1.93 -3.41 116.42 120.08 1b7o h ASP 87 Ca -0.47 -0.13 -0.55 0.00 -0.62 0.00 0.00 57.03 55.26 1b7o h ASP 87 Cb 1.19 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1b7o h ASP 87 CO 0.62 0.69 0.40 0.21 -3.12 0.00 0.00 179.24 178.05 1b7o s ASN 88 N -6.87 7.22 0.00 6.45 3.84 -1.26 -4.88 114.94 119.44 1b7o s ASN 88 Ca -0.05 1.49 0.21 0.00 0.21 0.00 0.00 52.86 54.72 1b7o s ASN 88 Cb 0.13 -2.53 0.53 0.00 -0.55 0.00 0.00 41.25 38.83 1b7o s ASN 88 CO 0.78 -0.32 1.44 2.30 -2.79 0.00 0.00 177.10 178.51 1b7o n ILE 89 N 4.22 0.48 -0.19 -5.21 -5.35 -1.26 -4.52 119.36 107.53 1b7o n ILE 89 Ca 0.06 -0.65 -0.01 0.00 -0.27 0.00 0.00 62.75 61.88 1b7o n ILE 89 Cb 0.50 0.70 0.07 0.00 -1.74 0.00 0.00 39.64 39.17 1b7o n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b7o h ALA 90 N 4.30 0.48 -0.55 -1.28 0.00 -1.95 0.17 119.26 120.42 1b7o h ALA 90 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1b7o h ALA 90 Cb 0.81 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1b7o h ALA 90 CO 0.00 -0.41 -0.08 -0.44 0.00 0.00 0.00 179.25 178.31 1b7o h ASP 91 N 0.06 1.00 -0.20 0.00 3.45 -1.87 -0.80 116.42 118.06 1b7o h ASP 91 Ca 0.29 -0.32 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1b7o h ASP 91 Cb 0.45 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1b7o h ASP 91 CO -0.53 1.10 -0.10 0.00 -1.57 0.00 0.00 179.24 178.14 1b7o h ALA 92 N 0.99 1.21 -0.33 3.45 0.00 -1.57 -1.37 119.26 121.64 1b7o h ALA 92 Ca 0.15 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1b7o h ALA 92 Cb 0.64 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1b7o h ALA 92 CO 0.04 0.51 -0.39 0.28 0.00 0.00 0.00 179.25 179.69 1b7o h VAL 93 N 0.53 1.28 -0.77 0.00 2.07 -0.36 0.31 116.25 119.31 1b7o h VAL 93 Ca 0.10 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1b7o h VAL 93 Cb 0.48 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1b7o h VAL 93 CO 0.03 0.52 0.39 0.00 0.02 0.00 0.00 177.57 178.52 1b7o h ALA 94 N 0.73 1.23 -0.23 1.67 0.00 -0.87 -0.77 119.26 121.01 1b7o h ALA 94 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1b7o h ALA 94 Cb 0.99 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1b7o h ALA 94 CO 0.09 0.60 -0.50 0.00 0.00 0.00 0.00 179.25 179.44 1b7o h ALA 96 N 0.62 1.52 -0.56 0.00 0.00 -0.54 -0.24 119.26 120.06 1b7o h ALA 96 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1b7o h ALA 96 Cb 1.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1b7o h ALA 96 CO 0.11 0.43 -0.06 0.87 0.00 0.00 0.00 179.25 180.61 1b7o h LYS 97 N 0.94 1.01 -0.73 0.00 1.57 -1.06 -2.47 116.57 115.83 1b7o h LYS 97 Ca 0.27 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1b7o h LYS 97 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1b7o h LYS 97 CO -0.07 1.03 0.26 -0.09 -0.57 0.00 0.00 179.45 180.02 1b7o h ARG 98 N 0.91 1.11 -0.08 3.15 9.65 -0.76 -2.45 114.38 125.91 1b7o h ARG 98 Ca 0.15 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1b7o h ARG 98 Cb 0.61 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1b7o h ARG 98 CO 0.04 0.92 0.05 0.28 2.80 0.00 0.00 179.97 184.07 1b7o h VAL 99 N 1.06 1.03 0.00 0.20 2.07 -0.83 -2.30 116.25 117.47 1b7o h VAL 99 Ca 0.24 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1b7o h VAL 99 Cb 0.25 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1b7o h VAL 99 CO -0.01 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1b7o n VAL 100 N -5.03 0.07 1.48 2.57 0.24 -0.95 -2.24 118.33 114.46 1b7o n VAL 100 Ca -0.05 0.02 0.15 0.00 -2.04 0.00 0.00 64.34 62.41 1b7o n VAL 100 Cb 0.03 -0.65 0.71 0.00 -1.47 0.00 0.00 33.84 32.46 1b7o n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1b7o n ARG 101 N -1.06 0.62 -2.51 7.34 0.63 -0.87 -4.36 116.66 116.45 1b7o n ARG 101 Ca 0.16 -0.12 -0.23 0.00 -0.92 0.00 0.00 57.85 56.74 1b7o n ARG 101 Cb 0.10 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.56 1b7o n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1b7o s ASP 102 N -2.46 5.22 0.26 6.15 -0.00 -0.95 -5.01 116.67 119.88 1b7o s ASP 102 Ca 0.31 0.26 -0.05 0.00 -0.00 0.00 0.00 52.55 53.06 1b7o s ASP 102 Cb 0.20 -1.11 0.51 0.00 -0.00 0.00 0.00 42.92 42.52 1b7o s ASP 102 CO 0.46 -1.23 1.62 1.55 -0.00 0.00 0.00 175.17 177.56 1b7o h PRO 103 N -0.14 0.08 0.00 8.23 0.13 -1.88 -2.43 132.00 135.99 1b7o h PRO 103 Ca -0.44 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1b7o h PRO 103 Cb 1.29 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1b7o h PRO 103 CO 0.56 0.05 -0.23 1.96 -0.23 0.00 0.00 178.00 180.11 1b7o h GLN 104 N 0.08 0.00 0.00 0.86 4.20 -1.92 -3.49 115.11 114.84 1b7o h GLN 104 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1b7o h GLN 104 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1b7o h GLN 104 CO -0.74 0.23 0.00 0.41 -0.67 0.00 0.00 178.83 178.06 1b7o n GLY 105 N -0.23 1.78 0.31 3.46 0.00 -0.92 -2.34 105.19 107.25 1b7o n GLY 105 Ca -0.01 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.59 1b7o n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7o h ILE 106 N 0.00 0.15 0.00 -0.61 6.09 -1.92 -2.26 117.51 118.96 1b7o h ILE 106 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1b7o h ILE 106 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1b7o h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1b7o n ARG 107 N -3.26 0.07 0.05 2.19 1.74 -0.99 -2.92 116.66 113.54 1b7o n ARG 107 Ca -0.02 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.45 1b7o n ARG 107 Cb 0.15 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.69 1b7o n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b7o h ALA 108 N 2.38 2.15 -2.46 7.54 0.00 -1.58 -3.38 119.26 123.91 1b7o h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1b7o h ALA 108 Cb 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1b7o h ALA 108 CO 0.00 -0.24 -0.02 -1.58 0.00 0.00 0.00 179.25 177.40 1b7o s TRP 109 N -5.18 3.19 0.36 0.00 0.51 -1.15 -4.96 118.94 111.71 1b7o s TRP 109 Ca -0.06 0.28 0.04 0.00 -2.12 0.00 0.00 56.10 54.24 1b7o s TRP 109 Cb 0.19 -2.91 0.69 0.00 -0.81 0.00 0.00 33.47 30.63 1b7o s TRP 109 CO 0.72 -0.50 1.99 0.28 -0.51 0.00 0.00 176.95 178.93 1b7o h VAL 110 N 5.58 1.10 -0.35 4.03 2.07 -1.90 -1.23 116.25 125.55 1b7o h VAL 110 Ca -0.28 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1b7o h VAL 110 Cb 1.13 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1b7o h VAL 110 CO 0.77 0.15 0.11 0.00 0.02 0.00 0.00 177.57 178.61 1b7o h ALA 111 N 1.61 1.54 -0.20 1.67 0.00 -1.94 -0.38 119.26 121.57 1b7o h ALA 111 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1b7o h ALA 111 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1b7o h ALA 111 CO -0.07 0.35 0.10 2.35 0.00 0.00 0.00 179.25 181.98 1b7o h TRP 112 N 0.49 0.28 -0.39 0.00 7.01 -1.55 -0.51 115.95 121.28 1b7o h TRP 112 Ca 0.12 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1b7o h TRP 112 Cb 0.15 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1b7o h TRP 112 CO 0.01 0.28 0.15 0.00 -2.79 0.00 0.00 178.44 176.08 1b7o h ARG 113 N 0.20 0.30 -0.59 2.65 3.08 -1.21 0.30 114.38 119.11 1b7o h ARG 113 Ca 0.07 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1b7o h ARG 113 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1b7o h ARG 113 CO -0.01 0.20 0.03 -0.91 -1.07 0.00 0.00 179.97 178.21 1b7o h ASN 114 N 0.31 0.97 0.00 7.04 2.35 -0.81 -3.34 115.58 122.11 1b7o h ASN 114 Ca 0.18 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1b7o h ASN 114 Cb 0.15 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1b7o h ASN 114 CO -0.17 1.01 0.00 -2.11 -1.65 0.00 0.00 177.43 174.51 1b7o n ARG 115 N -4.19 0.04 0.00 0.81 0.00 -0.23 -4.87 116.66 108.22 1b7o n ARG 115 Ca 0.03 -0.62 0.00 0.00 -0.00 0.00 0.00 57.85 57.26 1b7o n ARG 115 Cb 0.32 -0.89 0.00 0.00 -0.00 0.00 0.00 32.46 31.90 1b7o n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b7o s GLN 117 N -1.86 4.15 -1.44 0.00 0.74 -0.28 -2.76 119.66 118.23 1b7o s GLN 117 Ca 0.00 2.53 -0.03 0.00 0.05 0.00 0.00 55.36 57.92 1b7o s GLN 117 Cb 0.00 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.04 1b7o s GLN 117 CO 0.00 -0.69 0.23 0.09 -0.55 0.00 0.00 175.29 174.37 1b7o n ASN 118 N 3.65 -5.04 -4.56 6.67 5.03 -1.26 -4.96 115.26 114.78 1b7o n ASN 118 Ca 0.14 -0.08 -0.26 0.00 0.87 0.00 0.00 54.58 55.25 1b7o n ASN 118 Cb 0.36 -4.18 -0.11 0.00 -1.02 0.00 0.00 39.78 34.84 1b7o n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b7o s ARG 119 N -5.35 1.84 -0.61 3.52 1.81 -1.11 -5.08 118.95 113.96 1b7o s ARG 119 Ca 0.14 -1.96 -0.24 0.00 -1.72 0.00 0.00 55.73 51.95 1b7o s ARG 119 Cb -0.07 -1.70 0.05 0.00 -0.45 0.00 0.00 34.95 32.79 1b7o s ARG 119 CO 0.17 0.12 0.98 0.34 -0.68 0.00 0.00 175.30 176.22 1b7o s ASP 120 N -3.62 6.25 -0.02 0.23 -1.08 -1.26 -4.86 116.67 112.31 1b7o s ASP 120 Ca 0.33 -0.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.94 1b7o s ASP 120 Cb 0.03 -2.44 0.62 0.00 -1.46 0.00 0.00 42.92 39.67 1b7o s ASP 120 CO 0.17 -1.37 1.52 1.33 0.52 0.00 0.00 175.17 177.33 1b7o n VAL 121 N 6.10 1.12 -0.25 1.11 0.24 -1.26 -4.57 118.33 120.82 1b7o n VAL 121 Ca -0.01 -1.03 0.07 0.00 -2.04 0.00 0.00 64.34 61.34 1b7o n VAL 121 Cb 0.47 0.45 0.32 0.00 -1.47 0.00 0.00 33.84 33.61 1b7o n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b7o h ARG 122 N 3.98 0.80 -0.15 7.34 3.08 -1.93 -2.50 114.38 125.00 1b7o h ARG 122 Ca 0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1b7o h ARG 122 Cb 1.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1b7o h ARG 122 CO 0.03 0.53 0.33 -0.56 -1.07 0.00 0.00 179.97 179.23 1b7o h GLN 123 N 0.82 0.00 0.00 0.04 3.07 -1.97 -2.29 115.11 114.78 1b7o h GLN 123 Ca 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.06 1b7o h GLN 123 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 1b7o h GLN 123 CO -0.15 0.00 -0.31 1.88 0.09 0.00 0.00 178.83 180.34 1b7o h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.79 -3.31 116.97 111.97 1b7o h TYR 124 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1b7o h TYR 124 Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1b7o h TYR 124 CO 0.00 0.31 -0.06 1.33 -1.05 0.00 0.00 178.16 178.69 1b7o n VAL 125 N -3.29 0.00 -1.81 -2.88 0.24 -0.89 -4.78 118.33 104.92 1b7o n VAL 125 Ca 0.01 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 1b7o n VAL 125 Cb 0.56 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.97 1b7o n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b7o s GLN 126 N -0.70 4.16 0.00 7.34 -1.52 -1.04 -1.77 119.66 126.12 1b7o s GLN 126 Ca 0.04 2.45 0.00 0.00 -1.95 0.00 0.00 55.36 55.90 1b7o s GLN 126 Cb 0.04 -3.97 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1b7o s GLN 126 CO 0.09 -0.88 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 1b7o n GLY 127 N 4.31 0.79 0.05 3.09 0.00 -1.26 -4.93 105.19 107.25 1b7o n GLY 127 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1b7o n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7o n GLY 129 N 1.41 0.37 0.41 0.00 0.00 -1.26 -4.79 105.19 101.32 1b7o n GLY 129 Ca 0.10 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1b7o n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65