#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouf s VAL 2 N 0.00 4.46 0.53 3.15 1.01 -1.26 -1.13 120.40 127.16 1ouf s VAL 2 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 1ouf s VAL 2 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1ouf s VAL 2 CO 0.00 -0.35 1.11 -0.36 0.00 0.00 0.00 175.10 175.50 1ouf s PHE 3 N 1.51 2.75 0.20 5.22 0.08 -0.26 -5.00 117.98 122.48 1ouf s PHE 3 Ca 0.02 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.51 1ouf s PHE 3 Cb -0.21 -3.23 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1ouf s PHE 3 CO 0.05 -1.39 0.55 -1.21 -0.10 0.00 0.00 175.22 173.13 1ouf s GLU 4 N -3.29 3.87 0.07 0.44 2.02 -1.26 -4.87 118.70 115.68 1ouf s GLU 4 Ca 0.71 0.37 -0.14 0.00 0.02 0.00 0.00 54.97 55.93 1ouf s GLU 4 Cb -0.22 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 1ouf s GLU 4 CO 0.25 0.37 1.24 -0.09 0.02 0.00 0.00 175.26 177.06 1ouf h ARG 5 N 2.92 -0.01 -0.03 1.61 2.43 -1.96 -1.23 114.38 118.12 1ouf h ARG 5 Ca -0.48 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 1ouf h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1ouf h ARG 5 CO 0.68 -0.01 -0.22 0.00 -1.51 0.00 0.00 179.97 178.91 1ouf h GLU 7 N 0.05 0.01 -0.73 0.00 4.81 -1.79 -1.36 114.58 115.57 1ouf h GLU 7 Ca 0.01 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1ouf h GLU 7 Cb 0.43 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1ouf h GLU 7 CO 0.03 0.01 0.34 1.25 -0.73 0.00 0.00 179.01 179.91 1ouf h LEU 8 N 0.01 0.97 -0.32 1.64 5.85 -0.78 -1.79 115.31 120.89 1ouf h LEU 8 Ca 0.01 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ouf h LEU 8 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1ouf h LEU 8 CO -0.01 0.84 0.12 0.00 -0.34 0.00 0.00 178.44 179.05 1ouf h ALA 9 N 1.17 0.37 -0.47 1.25 0.00 -1.00 0.23 119.26 120.81 1ouf h ALA 9 Ca 0.25 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ouf h ALA 9 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ouf h ALA 9 CO -0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 1ouf h ARG 10 N 0.26 0.83 -0.15 0.00 3.08 -1.08 -2.31 114.38 115.02 1ouf h ARG 10 Ca 0.14 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1ouf h ARG 10 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ouf h ARG 10 CO -0.14 0.88 0.05 1.15 -1.07 0.00 0.00 179.97 180.84 1ouf h THR 11 N 0.76 1.18 -0.90 2.04 2.02 -0.75 -2.17 112.91 115.09 1ouf h THR 11 Ca 0.13 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ouf h THR 11 Cb 0.57 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1ouf h THR 11 CO 0.03 0.17 0.54 -0.07 0.37 0.00 0.00 175.52 176.56 1ouf h LEU 12 N 0.05 1.08 -0.69 2.58 3.38 -0.90 -1.79 115.31 119.02 1ouf h LEU 12 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ouf h LEU 12 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ouf h LEU 12 CO -0.00 0.83 0.36 0.50 0.09 0.00 0.00 178.44 180.22 1ouf h LYS 13 N 1.23 0.98 -0.09 1.13 3.64 -1.24 -1.96 116.57 120.26 1ouf h LYS 13 Ca 0.32 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1ouf h LYS 13 Cb -0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1ouf h LYS 13 CO -0.06 0.75 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.63 1ouf h ARG 14 N 0.96 0.14 -0.07 1.90 2.43 -0.94 -0.86 114.38 117.94 1ouf h ARG 14 Ca 0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1ouf h ARG 14 Cb 0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ouf h ARG 14 CO -0.04 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 1ouf n LEU 15 N -4.30 0.70 -0.53 3.80 4.77 -0.72 -4.92 117.00 115.81 1ouf n LEU 15 Ca -0.01 -0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1ouf n LEU 15 Cb 0.25 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1ouf n LEU 15 CO 0.37 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 177.16 1ouf n GLY 16 N 0.93 0.30 0.14 -0.72 0.00 -0.33 -4.97 105.19 100.54 1ouf n GLY 16 Ca 0.15 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1ouf n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ouf h MET 17 N -0.08 0.00 -6.16 1.61 2.86 -1.55 -3.40 114.93 108.20 1ouf h MET 17 Ca -0.09 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.97 1ouf h MET 17 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1ouf h MET 17 CO 0.10 0.20 1.36 0.34 1.06 0.00 0.00 176.91 179.98 1ouf s ASP 18 N -5.94 5.73 0.00 1.22 2.15 -1.26 -1.90 116.67 116.67 1ouf s ASP 18 Ca 0.02 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.56 1ouf s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ouf s ASP 18 CO 0.76 -1.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.58 1ouf n GLY 19 N 5.53 0.71 3.64 2.66 0.00 0.33 -4.89 105.19 113.18 1ouf n GLY 19 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1ouf n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ouf n TYR 20 N -2.50 2.34 -3.70 1.61 9.36 -0.80 -0.95 117.16 122.53 1ouf n TYR 20 Ca 0.00 -0.29 -0.28 0.00 3.32 0.00 0.00 57.90 60.65 1ouf n TYR 20 Cb 0.00 -2.78 0.03 0.00 -0.63 0.00 0.00 39.34 35.96 1ouf n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ouf n ARG 21 N 7.88 -5.34 -0.97 2.98 5.12 -1.26 -1.35 116.66 123.71 1ouf n ARG 21 Ca 0.23 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 1ouf n ARG 21 Cb 0.41 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 1ouf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ouf n GLY 22 N -1.62 0.72 3.53 -0.13 0.00 -0.12 -5.00 105.19 102.56 1ouf n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1ouf n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ouf s ILE 23 N -2.85 5.28 0.74 -0.61 1.01 -0.46 -4.89 121.20 119.41 1ouf s ILE 23 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 1ouf s ILE 23 Cb 0.00 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.78 1ouf s ILE 23 CO 0.00 -0.03 1.14 -0.94 0.00 0.00 0.00 174.94 175.11 1ouf s SER 24 N 1.72 4.42 0.24 3.58 1.04 -1.26 -0.51 113.70 122.93 1ouf s SER 24 Ca 0.06 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.53 1ouf s SER 24 Cb -0.17 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.75 1ouf s SER 24 CO 0.11 -2.10 1.81 0.25 0.98 0.00 0.00 173.24 174.28 1ouf h LEU 25 N -0.56 0.64 -2.09 2.42 5.85 -1.90 -1.26 115.31 118.40 1ouf h LEU 25 Ca -0.46 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1ouf h LEU 25 Cb 1.26 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ouf h LEU 25 CO 0.50 0.38 0.03 0.00 -0.34 0.00 0.00 178.44 179.01 1ouf h ALA 26 N 1.43 1.93 -0.15 1.25 0.00 -1.92 -0.83 119.26 120.98 1ouf h ALA 26 Ca 0.38 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1ouf h ALA 26 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ouf h ALA 26 CO -0.24 -0.04 -0.74 -0.91 0.00 0.00 0.00 179.25 177.33 1ouf h ASN 27 N 0.00 0.81 -0.22 0.00 2.35 -1.56 -1.26 115.58 115.71 1ouf h ASN 27 Ca 0.02 -0.52 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 1ouf h ASN 27 Cb 0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1ouf h ASN 27 CO -0.00 1.30 -0.24 -0.50 -1.65 0.00 0.00 177.43 176.34 1ouf h TRP 28 N 0.48 0.78 -0.43 1.19 4.06 -1.14 -1.66 115.95 119.22 1ouf h TRP 28 Ca -0.04 -0.17 -0.05 0.00 2.06 0.00 0.00 58.89 60.69 1ouf h TRP 28 Cb 1.34 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 1ouf h TRP 28 CO 0.07 0.86 0.07 0.52 -3.56 0.00 0.00 178.44 176.40 1ouf h MET 29 N 0.60 0.70 -0.81 0.49 2.86 -1.07 -1.17 114.93 116.54 1ouf h MET 29 Ca 0.08 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1ouf h MET 29 Cb 0.72 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1ouf h MET 29 CO 0.06 0.74 0.48 0.00 1.06 0.00 0.00 176.91 179.24 1ouf h LEU 31 N 1.11 -0.02 -1.12 0.00 5.85 -1.09 -1.92 115.31 118.12 1ouf h LEU 31 Ca 0.29 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ouf h LEU 31 Cb -0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1ouf h LEU 31 CO -0.05 0.16 0.45 0.00 -0.34 0.00 0.00 178.44 178.65 1ouf h ALA 32 N 0.79 1.33 0.23 1.25 0.00 -1.05 -0.19 119.26 121.61 1ouf h ALA 32 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ouf h ALA 32 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ouf h ALA 32 CO 0.00 0.56 -0.11 -0.22 0.00 0.00 0.00 179.25 179.49 1ouf h LYS 33 N 1.08 -0.30 0.00 0.00 1.63 -1.02 -1.72 116.57 116.23 1ouf h LYS 33 Ca 0.28 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1ouf h LYS 33 Cb -0.02 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1ouf h LYS 33 CO -0.05 -0.16 -0.41 -1.49 -3.45 0.00 0.00 179.45 173.90 1ouf h TRP 34 N -0.37 0.00 0.06 1.91 4.06 -1.21 -1.38 115.95 119.03 1ouf h TRP 34 Ca -0.03 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.81 1ouf h TRP 34 Cb 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1ouf h TRP 34 CO -0.05 0.41 -0.47 0.93 -3.56 0.00 0.00 178.44 175.70 1ouf h GLU 35 N 0.00 0.20 0.00 0.49 4.39 -1.03 -3.43 114.58 115.21 1ouf h GLU 35 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1ouf h GLU 35 Cb 1.20 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1ouf h GLU 35 CO 0.05 1.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 1ouf n SER 36 N -4.34 0.07 -0.60 1.42 3.41 -0.68 -4.86 113.62 108.04 1ouf n SER 36 Ca -0.12 -0.35 -0.06 0.00 -0.26 0.00 0.00 58.87 58.08 1ouf n SER 36 Cb 0.66 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.99 1ouf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ouf n GLY 37 N 0.39 0.34 2.37 5.00 0.00 -0.52 -3.03 105.19 109.74 1ouf n GLY 37 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 1ouf n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ouf n TYR 38 N -3.65 -0.87 -3.80 1.61 0.53 -1.14 -4.77 117.16 105.07 1ouf n TYR 38 Ca -0.07 0.09 -0.36 0.00 -1.02 0.00 0.00 57.90 56.54 1ouf n TYR 38 Cb 0.44 -3.21 -0.13 0.00 -1.03 0.00 0.00 39.34 35.41 1ouf n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ouf s ASN 39 N -2.44 4.87 0.52 7.72 2.47 -1.17 -1.11 114.94 125.80 1ouf s ASN 39 Ca 0.05 -0.32 0.31 0.00 0.42 0.00 0.00 52.86 53.31 1ouf s ASN 39 Cb -0.02 -1.86 1.09 0.00 -1.45 0.00 0.00 41.25 39.00 1ouf s ASN 39 CO 0.06 -0.05 1.88 0.71 -3.72 0.00 0.00 177.10 175.99 1ouf h THR 40 N 5.63 0.00 -0.50 -5.21 1.35 -1.45 -3.15 112.91 109.58 1ouf h THR 40 Ca -0.39 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1ouf h THR 40 Cb 1.16 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1ouf h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 1ouf n ARG 41 N -3.07 2.51 -1.97 4.72 1.85 -1.26 -4.10 116.66 115.33 1ouf n ARG 41 Ca 0.02 -2.31 -0.42 0.00 -1.00 0.00 0.00 57.85 54.14 1ouf n ARG 41 Cb 0.36 -1.52 -0.02 0.00 -1.05 0.00 0.00 32.46 30.23 1ouf n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ouf s ALA 42 N -1.35 3.68 0.02 2.89 0.00 -1.21 -4.80 121.76 121.00 1ouf s ALA 42 Ca 0.42 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1ouf s ALA 42 Cb 0.23 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1ouf s ALA 42 CO 0.32 -0.77 -0.06 0.95 0.00 0.00 0.00 175.76 176.20 1ouf s THR 43 N 0.38 0.39 -0.15 0.00 -4.23 -1.26 -0.56 115.64 110.21 1ouf s THR 43 Ca 0.63 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1ouf s THR 43 Cb -0.43 -0.43 0.07 0.00 1.34 0.00 0.00 72.50 73.05 1ouf s THR 43 CO 0.40 -0.25 0.18 0.21 -0.54 0.00 0.00 174.62 174.61 1ouf s ASN 44 N -1.08 1.29 0.01 3.99 2.47 -0.52 -4.97 114.94 116.13 1ouf s ASN 44 Ca -0.07 -0.07 -0.27 0.00 0.42 0.00 0.00 52.86 52.87 1ouf s ASN 44 Cb -0.07 0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.93 1ouf s ASN 44 CO -0.00 -0.30 0.84 -0.47 -3.72 0.00 0.00 177.10 173.45 1ouf s TYR 45 N 2.28 3.68 -0.54 0.43 6.14 -1.26 -0.64 117.35 127.44 1ouf s TYR 45 Ca 0.04 1.53 -0.12 0.00 0.64 0.00 0.00 57.07 59.17 1ouf s TYR 45 Cb -0.14 -2.94 0.14 0.00 0.42 0.00 0.00 41.96 39.43 1ouf s TYR 45 CO -0.09 0.13 0.45 -0.80 0.64 0.00 0.00 175.55 175.88 1ouf s ASN 46 N 0.49 5.98 0.52 4.32 0.01 0.41 -4.93 114.94 121.74 1ouf s ASN 46 Ca 0.44 -1.98 0.20 0.00 -0.71 0.00 0.00 52.86 50.80 1ouf s ASN 46 Cb -0.20 -2.10 1.31 0.00 0.41 0.00 0.00 41.25 40.67 1ouf s ASN 46 CO 0.24 -0.73 2.09 0.00 -1.51 0.00 0.00 177.10 177.18 1ouf h ALA 47 N 8.50 2.20 -0.77 0.60 0.00 -1.96 -0.59 119.26 127.24 1ouf h ALA 47 Ca -0.21 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ouf h ALA 47 Cb 1.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1ouf h ALA 47 CO 0.92 -0.26 0.47 0.78 0.00 0.00 0.00 179.25 181.15 1ouf h GLY 48 N 0.01 1.13 -0.03 0.00 0.00 -1.94 -3.31 103.07 98.93 1ouf h GLY 48 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ouf h GLY 48 CO -0.00 0.25 -0.02 2.09 0.00 0.00 0.00 176.54 178.87 1ouf n ASP 49 N -4.67 1.35 -1.81 0.19 5.75 -1.11 -5.02 116.55 111.24 1ouf n ASP 49 Ca 0.10 -1.76 -0.17 0.00 -0.01 0.00 0.00 54.79 52.94 1ouf n ASP 49 Cb 0.14 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 1ouf n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ouf n ARG 50 N -0.39 -1.32 -4.03 0.11 1.74 -0.25 -4.81 116.66 107.71 1ouf n ARG 50 Ca 0.01 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.75 1ouf n ARG 50 Cb 0.36 -5.29 -0.05 0.00 -1.02 0.00 0.00 32.46 26.46 1ouf n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ouf s SER 51 N -2.36 4.90 0.00 0.55 1.04 -1.21 -4.42 113.70 112.21 1ouf s SER 51 Ca 0.00 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1ouf s SER 51 Cb 0.00 -0.85 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 1ouf s SER 51 CO 0.00 -0.28 -0.09 -0.89 0.98 0.00 0.00 173.24 172.96 1ouf s THR 52 N -2.36 0.71 -0.13 2.02 2.01 -1.26 -0.45 115.64 116.17 1ouf s THR 52 Ca 0.38 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1ouf s THR 52 Cb -0.04 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1ouf s THR 52 CO 0.24 0.11 0.29 -1.81 -0.69 0.00 0.00 174.62 172.76 1ouf s ASP 53 N -0.45 6.48 -0.07 3.53 1.01 0.18 -1.52 116.67 125.84 1ouf s ASP 53 Ca 0.02 0.56 0.05 0.00 0.71 0.00 0.00 52.55 53.89 1ouf s ASP 53 Cb -0.04 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.70 1ouf s ASP 53 CO -0.00 0.16 -0.22 -0.31 0.21 0.00 0.00 175.17 175.02 1ouf s TYR 54 N 0.10 2.22 0.00 4.23 2.02 -0.05 -1.44 117.35 124.43 1ouf s TYR 54 Ca 0.17 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 1ouf s TYR 54 Cb -0.13 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1ouf s TYR 54 CO 0.05 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 1ouf n GLY 55 N 3.24 -2.09 0.33 0.71 0.00 0.28 -1.83 105.19 105.82 1ouf n GLY 55 Ca -0.19 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1ouf n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ouf h ILE 56 N 0.00 0.92 -0.27 -0.61 2.10 -1.70 -1.34 117.51 116.61 1ouf h ILE 56 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1ouf h ILE 56 Cb 0.00 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 1ouf h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1ouf n PHE 57 N -4.47 0.35 -3.76 2.19 0.99 -1.26 -4.00 117.46 107.49 1ouf n PHE 57 Ca 0.06 -0.22 -0.32 0.00 -0.00 0.00 0.00 57.45 56.97 1ouf n PHE 57 Cb 0.30 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.81 1ouf n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ouf n GLN 58 N 1.16 -1.42 -2.69 -1.08 1.13 -0.51 -4.90 117.38 109.08 1ouf n GLN 58 Ca 0.15 0.41 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 1ouf n GLN 58 Cb 0.51 -4.00 -0.04 0.00 0.11 0.00 0.00 30.24 26.82 1ouf n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ouf s ILE 59 N -3.54 4.47 0.06 5.09 1.01 -0.76 -4.44 121.20 123.09 1ouf s ILE 59 Ca 0.41 1.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.76 1ouf s ILE 59 Cb -0.16 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1ouf s ILE 59 CO 0.88 0.28 0.94 0.21 0.00 0.00 0.00 174.94 177.24 1ouf s ASN 60 N 0.22 7.40 0.26 3.58 3.84 -1.26 -0.87 114.94 128.11 1ouf s ASN 60 Ca 0.49 1.69 0.23 0.00 0.21 0.00 0.00 52.86 55.47 1ouf s ASN 60 Cb -0.24 -2.56 0.99 0.00 -0.55 0.00 0.00 41.25 38.89 1ouf s ASN 60 CO 0.30 -0.13 1.69 -1.54 -2.79 0.00 0.00 177.10 174.63 1ouf n SER 61 N 3.23 0.62 0.18 -4.21 3.41 -0.58 -1.93 113.62 114.34 1ouf n SER 61 Ca 0.03 0.68 0.03 0.00 -0.26 0.00 0.00 58.87 59.35 1ouf n SER 61 Cb 0.50 -0.80 0.32 0.00 -0.26 0.00 0.00 64.21 63.97 1ouf n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ouf h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.39 114.38 115.91 1ouf h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ouf h ARG 62 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ouf h ARG 62 CO 0.00 0.43 -0.64 0.66 -1.51 0.00 0.00 179.97 178.91 1ouf n TYR 63 N -3.78 0.00 -0.05 2.20 4.02 -1.18 -0.73 117.16 117.64 1ouf n TYR 63 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 1ouf n TYR 63 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.68 1ouf n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ouf n TRP 64 N -1.72 0.72 -4.22 -0.72 7.02 -0.81 -0.66 117.44 117.04 1ouf n TRP 64 Ca 0.00 0.16 -0.13 0.00 -1.02 0.00 0.00 57.50 56.51 1ouf n TRP 64 Cb 0.32 -1.10 -0.10 0.00 -2.42 0.00 0.00 31.31 28.01 1ouf n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ouf s ASN 66 N -3.12 5.78 0.00 0.00 2.47 -0.28 -4.56 114.94 115.23 1ouf s ASN 66 Ca 0.15 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1ouf s ASN 66 Cb 0.04 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1ouf s ASN 66 CO -0.01 0.04 0.68 -0.90 -3.72 0.00 0.00 177.10 173.19 1ouf n ASP 67 N 4.45 1.37 0.00 -4.21 5.75 -1.26 -1.50 116.55 121.14 1ouf n ASP 67 Ca -0.15 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1ouf n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ouf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ouf n GLY 68 N -0.18 1.75 0.68 6.12 0.00 -1.26 -4.70 105.19 107.60 1ouf n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ouf n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ouf n LYS 69 N -0.62 1.68 -3.05 1.61 2.85 -1.26 -4.89 118.16 114.48 1ouf n LYS 69 Ca 0.00 -1.37 -0.41 0.00 -1.05 0.00 0.00 58.31 55.48 1ouf n LYS 69 Cb 0.00 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 32.85 1ouf n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ouf s THR 70 N -2.26 4.93 0.54 0.58 2.01 -1.26 -4.97 115.64 115.21 1ouf s THR 70 Ca 0.23 1.21 -0.21 0.00 0.31 0.00 0.00 61.69 63.23 1ouf s THR 70 Cb 0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1ouf s THR 70 CO 0.45 -0.03 1.26 -2.84 -0.69 0.00 0.00 174.62 172.77 1ouf s PRO 71 N 2.62 3.26 -1.73 4.92 0.02 -1.26 -3.67 135.00 139.15 1ouf s PRO 71 Ca 0.28 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 1ouf s PRO 71 Cb -0.15 -2.20 0.15 0.00 0.02 0.00 0.00 34.50 32.32 1ouf s PRO 71 CO 0.09 -1.02 0.54 0.41 -0.33 0.00 0.00 177.00 176.69 1ouf n GLY 72 N 0.59 -0.35 3.86 0.52 0.00 -1.26 -4.93 105.19 103.62 1ouf n GLY 72 Ca 0.10 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1ouf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouf s ALA 73 N -3.52 3.76 0.44 4.61 0.00 -1.24 -5.00 121.76 120.81 1ouf s ALA 73 Ca 0.59 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1ouf s ALA 73 Cb -0.34 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1ouf s ALA 73 CO 0.98 0.14 0.05 0.14 0.00 0.00 0.00 175.76 177.07 1ouf s VAL 74 N -2.18 1.09 -0.43 0.00 -7.23 0.09 -5.00 120.40 106.73 1ouf s VAL 74 Ca 0.37 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1ouf s VAL 74 Cb -0.07 -2.40 0.24 0.00 0.56 0.00 0.00 36.38 34.71 1ouf s VAL 74 CO 0.26 0.00 0.54 -3.20 -0.31 0.00 0.00 175.10 172.39 1ouf n ASN 75 N -1.18 0.70 0.26 4.85 5.15 -1.22 -3.87 115.26 119.96 1ouf n ASN 75 Ca -0.11 -2.79 0.10 0.00 -0.60 0.00 0.00 54.58 51.18 1ouf n ASN 75 Cb 0.66 -0.64 0.70 0.00 -0.53 0.00 0.00 39.78 39.97 1ouf n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ouf h ALA 76 N 4.18 1.80 -0.00 5.20 0.00 -0.85 -0.68 119.26 128.90 1ouf h ALA 76 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ouf h ALA 76 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ouf h ALA 76 CO 0.51 0.04 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 1ouf n HIS 78 N -1.03 -1.94 -3.97 0.00 -0.00 -0.26 -4.99 115.22 103.03 1ouf n HIS 78 Ca 0.12 0.82 -0.09 0.00 -0.00 0.00 0.00 57.72 58.56 1ouf n HIS 78 Cb 0.31 -4.33 -0.11 0.00 -0.00 0.00 0.00 29.99 25.86 1ouf n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ouf s LEU 79 N -6.60 2.15 0.43 2.41 1.43 -1.26 -5.07 118.68 112.17 1ouf s LEU 79 Ca 0.05 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 1ouf s LEU 79 Cb -0.01 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 1ouf s LEU 79 CO 0.81 -0.31 1.05 -0.55 0.23 0.00 0.00 176.35 177.58 1ouf s SER 80 N -1.47 6.58 0.61 2.29 0.15 -1.26 -1.13 113.70 119.48 1ouf s SER 80 Ca -0.16 2.02 0.39 0.00 0.70 0.00 0.00 55.95 58.90 1ouf s SER 80 Cb -0.09 -2.58 1.96 0.00 -1.71 0.00 0.00 66.02 63.60 1ouf s SER 80 CO -0.01 -0.61 2.21 0.00 1.20 0.00 0.00 173.24 176.03 1ouf h SER 82 N 0.00 0.56 0.02 0.00 0.87 -1.90 -1.16 113.55 111.94 1ouf h SER 82 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ouf h SER 82 Cb 0.20 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1ouf h SER 82 CO 0.00 0.35 -0.01 0.00 -0.53 0.00 0.00 176.83 176.64 1ouf h ALA 83 N 1.65 1.66 -0.19 6.23 0.00 -1.74 -1.08 119.26 125.78 1ouf h ALA 83 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ouf h ALA 83 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ouf h ALA 83 CO -0.09 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1ouf n LEU 84 N -4.05 1.12 -0.24 0.00 4.77 -0.44 -3.51 117.00 114.65 1ouf n LEU 84 Ca -0.03 -0.54 0.02 0.00 -0.03 0.00 0.00 56.01 55.43 1ouf n LEU 84 Cb 0.10 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1ouf n LEU 84 CO 0.30 0.27 0.52 0.18 -1.33 0.00 0.00 177.39 177.33 1ouf n LEU 85 N 0.08 2.23 -4.85 2.23 4.77 -0.41 -3.37 117.00 117.69 1ouf n LEU 85 Ca 0.09 -1.86 -0.31 0.00 -0.03 0.00 0.00 56.01 53.90 1ouf n LEU 85 Cb 0.19 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1ouf n LEU 85 CO 0.06 0.55 0.72 -1.10 -1.33 0.00 0.00 177.39 176.29 1ouf s GLN 86 N -0.91 3.09 0.18 3.23 -0.21 -1.23 -4.54 119.66 119.28 1ouf s GLN 86 Ca 0.09 0.77 0.01 0.00 0.02 0.00 0.00 55.36 56.25 1ouf s GLN 86 Cb 0.05 -2.02 0.07 0.00 1.00 0.00 0.00 33.01 32.11 1ouf s GLN 86 CO 0.06 -0.94 1.44 -0.44 -2.12 0.00 0.00 175.29 173.29 1ouf h ASP 87 N -0.59 0.34 -3.34 5.90 3.32 -1.93 -3.41 116.42 116.70 1ouf h ASP 87 Ca -0.44 -0.24 -0.57 0.00 0.02 0.00 0.00 57.03 55.79 1ouf h ASP 87 Cb 1.21 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 1ouf h ASP 87 CO 0.60 0.99 0.82 0.21 -1.72 0.00 0.00 179.24 180.14 1ouf s ASN 88 N -6.94 6.89 0.00 6.45 3.84 -1.26 -4.91 114.94 119.01 1ouf s ASN 88 Ca -0.04 0.98 0.08 0.00 0.21 0.00 0.00 52.86 54.09 1ouf s ASN 88 Cb 0.11 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.53 1ouf s ASN 88 CO 0.83 -0.89 1.20 2.30 -2.79 0.00 0.00 177.10 177.75 1ouf n ILE 89 N 5.91 0.29 -0.16 -5.21 -5.35 -1.26 -4.44 119.36 109.13 1ouf n ILE 89 Ca 0.11 -0.29 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1ouf n ILE 89 Cb 0.47 0.15 0.07 0.00 -1.74 0.00 0.00 39.64 38.59 1ouf n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ouf h ALA 90 N 3.45 0.58 -0.43 -1.28 0.00 -1.96 0.21 119.26 119.83 1ouf h ALA 90 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ouf h ALA 90 Cb 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ouf h ALA 90 CO 0.00 -0.30 -0.27 -0.44 0.00 0.00 0.00 179.25 178.24 1ouf h ASP 91 N 0.24 0.99 -0.94 0.00 3.45 -1.88 -1.27 116.42 117.02 1ouf h ASP 91 Ca 0.26 -0.42 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1ouf h ASP 91 Cb 0.34 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.79 1ouf h ASP 91 CO -0.33 1.20 0.59 0.00 -1.57 0.00 0.00 179.24 179.13 1ouf h ALA 92 N 0.82 1.27 -0.26 3.45 0.00 -1.67 -0.74 119.26 122.13 1ouf h ALA 92 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ouf h ALA 92 Cb 0.85 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ouf h ALA 92 CO 0.08 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 1ouf h VAL 93 N 1.29 1.29 -0.44 0.00 2.07 -0.83 0.17 116.25 119.79 1ouf h VAL 93 Ca 0.34 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1ouf h VAL 93 Cb -0.10 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ouf h VAL 93 CO -0.07 0.35 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1ouf h ALA 94 N 0.76 1.60 -0.01 1.67 0.00 -0.84 -0.65 119.26 121.79 1ouf h ALA 94 Ca 0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1ouf h ALA 94 Cb 0.57 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ouf h ALA 94 CO 0.03 0.34 -0.97 0.00 0.00 0.00 0.00 179.25 178.65 1ouf h ALA 96 N 0.61 1.22 -0.81 0.00 0.00 -0.43 -0.77 119.26 119.08 1ouf h ALA 96 Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ouf h ALA 96 Cb 1.61 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1ouf h ALA 96 CO 0.18 0.59 0.36 0.87 0.00 0.00 0.00 179.25 181.25 1ouf h LYS 97 N 1.04 1.17 -0.49 0.00 1.57 -1.06 -2.65 116.57 116.16 1ouf h LYS 97 Ca 0.25 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1ouf h LYS 97 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ouf h LYS 97 CO -0.03 0.92 0.11 -0.09 -0.57 0.00 0.00 179.45 179.79 1ouf h ARG 98 N 1.16 0.79 -0.20 3.15 9.65 -0.93 -2.94 114.38 125.06 1ouf h ARG 98 Ca 0.27 -0.20 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1ouf h ARG 98 Cb 0.16 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1ouf h ARG 98 CO -0.03 0.78 -0.02 0.28 2.80 0.00 0.00 179.97 183.78 1ouf h VAL 99 N 0.68 0.84 0.00 0.20 2.07 -0.87 -2.10 116.25 117.07 1ouf h VAL 99 Ca 0.15 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1ouf h VAL 99 Cb 0.35 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ouf h VAL 99 CO 0.00 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1ouf n VAL 100 N -5.16 0.40 0.89 2.57 0.24 -1.03 -2.14 118.33 114.11 1ouf n VAL 100 Ca -0.02 0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1ouf n VAL 100 Cb 0.11 -0.77 0.54 0.00 -1.47 0.00 0.00 33.84 32.26 1ouf n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ouf n ARG 101 N -1.30 0.03 -2.48 7.34 1.74 -0.79 -4.15 116.66 117.05 1ouf n ARG 101 Ca 0.09 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.94 1ouf n ARG 101 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1ouf n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ouf s ASP 102 N -2.96 6.43 0.35 0.55 -0.00 -0.91 -4.97 116.67 115.15 1ouf s ASP 102 Ca 0.13 1.25 0.15 0.00 -0.00 0.00 0.00 52.55 54.09 1ouf s ASP 102 Cb 0.16 -2.38 1.13 0.00 -0.00 0.00 0.00 42.92 41.83 1ouf s ASP 102 CO 0.45 -0.58 1.64 -0.65 -0.00 0.00 0.00 175.17 176.03 1ouf h PRO 103 N 0.61 0.23 0.00 8.23 0.10 -1.88 -0.85 132.00 138.45 1ouf h PRO 103 Ca -0.46 -0.01 -0.04 0.00 0.10 0.00 0.00 66.00 65.58 1ouf h PRO 103 Cb 1.19 -0.05 -0.01 0.00 0.10 0.00 0.00 31.00 32.23 1ouf h PRO 103 CO 0.62 0.15 -0.20 1.96 0.10 0.00 0.00 178.00 180.64 1ouf h GLN 104 N 0.24 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.21 1ouf h GLN 104 Ca 0.75 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.46 1ouf h GLN 104 Cb 1.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1ouf h GLN 104 CO -0.65 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.11 1ouf n GLY 105 N -0.58 2.48 0.30 3.46 0.00 -0.33 -1.98 105.19 108.55 1ouf n GLY 105 Ca -0.02 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.80 1ouf n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ouf h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.71 117.51 118.37 1ouf h ILE 106 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1ouf h ILE 106 Cb 0.00 1.31 0.00 0.00 0.47 0.00 0.00 36.82 38.60 1ouf h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ouf n ARG 107 N -3.08 0.06 0.22 2.19 1.74 -0.84 -2.83 116.66 114.11 1ouf n ARG 107 Ca -0.01 0.38 0.16 0.00 -0.77 0.00 0.00 57.85 57.61 1ouf n ARG 107 Cb 0.21 -1.62 0.82 0.00 -1.02 0.00 0.00 32.46 30.85 1ouf n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ouf h ALA 108 N 2.30 1.81 -2.67 7.54 0.00 -1.64 -3.37 119.26 123.23 1ouf h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1ouf h ALA 108 Cb 0.20 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.83 1ouf h ALA 108 CO 0.00 -0.24 -0.34 -1.58 0.00 0.00 0.00 179.25 177.09 1ouf s TRP 109 N -4.70 3.22 0.40 0.00 0.51 -1.13 -4.96 118.94 112.29 1ouf s TRP 109 Ca -0.05 0.02 0.09 0.00 -2.12 0.00 0.00 56.10 54.04 1ouf s TRP 109 Cb 0.16 -2.59 0.84 0.00 -0.81 0.00 0.00 33.47 31.07 1ouf s TRP 109 CO 0.57 -0.36 1.97 0.28 -0.51 0.00 0.00 176.95 178.90 1ouf h VAL 110 N 5.49 1.14 -0.35 4.03 2.07 -1.89 -1.78 116.25 124.96 1ouf h VAL 110 Ca -0.31 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1ouf h VAL 110 Cb 1.15 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1ouf h VAL 110 CO 0.66 0.18 0.23 0.00 0.02 0.00 0.00 177.57 178.66 1ouf h ALA 111 N 1.70 1.76 -0.60 1.67 0.00 -1.93 -1.59 119.26 120.26 1ouf h ALA 111 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ouf h ALA 111 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ouf h ALA 111 CO 0.01 0.23 0.25 2.35 0.00 0.00 0.00 179.25 182.08 1ouf h TRP 112 N 0.47 0.90 -0.56 0.00 7.01 -1.64 0.22 115.95 122.34 1ouf h TRP 112 Ca 0.13 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ouf h TRP 112 Cb -0.05 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.71 1ouf h TRP 112 CO -0.00 0.71 0.21 0.00 -2.79 0.00 0.00 178.44 176.57 1ouf h ARG 113 N 0.82 0.84 -0.18 2.65 3.08 -1.34 0.16 114.38 120.41 1ouf h ARG 113 Ca 0.20 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1ouf h ARG 113 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ouf h ARG 113 CO -0.02 0.74 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.54 1ouf h ASN 114 N 0.77 0.45 -0.00 7.04 2.35 -1.14 -3.35 115.58 121.70 1ouf h ASN 114 Ca 0.18 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1ouf h ASN 114 Cb 0.22 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1ouf h ASN 114 CO -0.01 0.84 -0.43 0.54 -1.65 0.00 0.00 177.43 176.72 1ouf n ARG 115 N -4.50 3.09 0.00 0.81 5.12 0.04 -4.85 116.66 116.38 1ouf n ARG 115 Ca -0.06 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 1ouf n ARG 115 Cb 0.38 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1ouf n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ouf n GLN 117 N -2.32 2.16 -1.58 0.00 7.27 -0.24 -2.23 117.38 120.44 1ouf n GLN 117 Ca 0.00 0.77 -0.20 0.00 0.07 0.00 0.00 57.00 57.64 1ouf n GLN 117 Cb 0.45 -2.48 -0.09 0.00 2.41 0.00 0.00 30.24 30.53 1ouf n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ouf n ASN 118 N 2.51 -5.42 -4.74 1.69 5.03 -1.26 -4.97 115.26 108.10 1ouf n ASN 118 Ca 0.13 0.50 -0.24 0.00 0.87 0.00 0.00 54.58 55.83 1ouf n ASN 118 Cb 0.31 -4.68 -0.07 0.00 -1.02 0.00 0.00 39.78 34.33 1ouf n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ouf s ARG 119 N -3.70 2.29 -0.67 3.52 0.52 -0.95 -5.05 118.95 114.91 1ouf s ARG 119 Ca 0.00 -1.70 -0.26 0.00 -0.52 0.00 0.00 55.73 53.25 1ouf s ARG 119 Cb 0.00 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.43 1ouf s ARG 119 CO 0.00 -0.01 1.14 0.34 0.02 0.00 0.00 175.30 176.79 1ouf s ASP 120 N -3.88 6.23 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.06 1ouf s ASP 120 Ca 0.40 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 52.17 1ouf s ASP 120 Cb 0.01 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.47 1ouf s ASP 120 CO 0.23 -1.60 1.45 1.33 0.52 0.00 0.00 175.17 177.09 1ouf n VAL 121 N 6.29 0.60 -0.11 1.11 0.24 -1.26 -4.50 118.33 120.70 1ouf n VAL 121 Ca 0.02 -0.76 0.14 0.00 -2.04 0.00 0.00 64.34 61.70 1ouf n VAL 121 Cb 0.48 0.76 0.52 0.00 -1.47 0.00 0.00 33.84 34.13 1ouf n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ouf h ARG 122 N 4.12 0.36 -0.42 7.34 3.08 -1.92 -2.36 114.38 124.58 1ouf h ARG 122 Ca 0.00 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.15 1ouf h ARG 122 Cb 0.92 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1ouf h ARG 122 CO 0.00 0.24 0.31 -0.56 -1.07 0.00 0.00 179.97 178.89 1ouf h GLN 123 N 0.37 0.00 0.00 0.04 3.07 -1.97 -1.52 115.11 115.10 1ouf h GLN 123 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.04 1ouf h GLN 123 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.27 1ouf h GLN 123 CO -0.09 0.00 -0.07 1.88 0.09 0.00 0.00 178.83 180.64 1ouf h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.76 -3.24 116.97 112.08 1ouf h TYR 124 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1ouf h TYR 124 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1ouf h TYR 124 CO 0.00 0.07 -0.00 1.33 -1.05 0.00 0.00 178.16 178.51 1ouf n VAL 125 N -3.24 0.00 -1.98 -2.88 0.24 -0.63 -4.83 118.33 105.01 1ouf n VAL 125 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1ouf n VAL 125 Cb 0.31 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1ouf n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ouf s GLN 126 N -0.18 4.24 0.00 7.34 -1.52 -0.84 -2.63 119.66 126.07 1ouf s GLN 126 Ca 0.01 2.31 0.00 0.00 -1.95 0.00 0.00 55.36 55.72 1ouf s GLN 126 Cb 0.01 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.63 1ouf s GLN 126 CO 0.01 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.90 1ouf n GLY 127 N 3.55 0.94 0.01 3.09 0.00 -1.26 -4.91 105.19 106.61 1ouf n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ouf n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouf n GLY 129 N 1.49 0.10 0.76 0.00 0.00 -1.26 -4.80 105.19 101.48 1ouf n GLY 129 Ca 0.06 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ouf n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32