#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy3 s VAL 2 N 0.00 4.01 0.00 0.58 1.01 -1.26 -1.28 120.40 123.45 1iy3 s VAL 2 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1iy3 s VAL 2 Cb 0.00 -5.09 0.00 0.00 0.00 0.00 0.00 36.38 31.29 1iy3 s VAL 2 CO 0.00 -1.95 0.00 0.49 0.00 0.00 0.00 175.10 173.64 1iy3 n PHE 3 N 8.66 -3.07 -3.04 5.22 3.72 0.40 -4.95 117.46 124.39 1iy3 n PHE 3 Ca 0.37 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.73 1iy3 n PHE 3 Cb 0.49 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 1iy3 n PHE 3 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1iy3 n GLU 4 N -0.94 0.94 -0.04 -1.08 0.28 -1.26 -4.65 120.64 113.90 1iy3 n GLU 4 Ca 0.00 -0.66 -0.14 0.00 -0.16 0.00 0.00 57.16 56.20 1iy3 n GLU 4 Cb 0.00 -0.04 -0.09 0.00 1.43 0.00 0.00 31.44 32.73 1iy3 n GLU 4 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1iy3 h ARG 5 N 0.00 0.23 -0.60 3.44 2.43 -1.93 -3.22 114.38 114.73 1iy3 h ARG 5 Ca -0.06 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1iy3 h ARG 5 Cb 0.26 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1iy3 h ARG 5 CO 0.08 0.77 0.36 0.00 -1.51 0.00 0.00 179.97 179.68 1iy3 h GLU 7 N 0.83 0.72 -0.95 0.00 4.57 -1.96 -2.12 114.58 115.67 1iy3 h GLU 7 Ca 0.22 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 1iy3 h GLU 7 Cb -0.03 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.33 1iy3 h GLU 7 CO -0.04 0.49 0.61 1.25 -1.18 0.00 0.00 179.01 180.14 1iy3 h LEU 8 N 0.74 0.90 0.02 1.64 7.12 -1.45 0.31 115.31 124.59 1iy3 h LEU 8 Ca 0.20 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.24 1iy3 h LEU 8 Cb -0.07 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 39.88 1iy3 h LEU 8 CO -0.04 0.54 -0.06 0.00 -0.13 0.00 0.00 178.44 178.75 1iy3 h ALA 9 N 1.52 -0.08 -0.02 1.25 0.00 -1.25 -1.41 119.26 119.27 1iy3 h ALA 9 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 1iy3 h ALA 9 Cb 0.34 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1iy3 h ALA 9 CO -0.19 -0.56 -0.69 0.00 0.00 0.00 0.00 179.25 177.81 1iy3 h ARG 10 N -0.11 0.12 -0.11 0.00 3.08 -1.28 -2.27 114.38 113.82 1iy3 h ARG 10 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1iy3 h ARG 10 Cb 0.13 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1iy3 h ARG 10 CO -0.05 0.77 0.07 1.15 -1.07 0.00 0.00 179.97 180.84 1iy3 h THR 11 N 0.08 1.03 -0.08 2.04 2.02 -0.06 0.33 112.91 118.28 1iy3 h THR 11 Ca -0.01 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 1iy3 h THR 11 Cb 1.23 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1iy3 h THR 11 CO 0.10 0.03 -0.65 -0.07 0.37 0.00 0.00 175.52 175.29 1iy3 h LEU 12 N 0.15 0.35 -0.69 2.58 3.38 -1.29 -2.95 115.31 116.84 1iy3 h LEU 12 Ca 0.04 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1iy3 h LEU 12 Cb -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1iy3 h LEU 12 CO -0.01 0.91 -0.18 0.50 0.09 0.00 0.00 178.44 179.75 1iy3 h LYS 13 N 0.22 0.83 -0.47 1.13 3.64 -1.04 0.20 116.57 121.08 1iy3 h LYS 13 Ca -0.01 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1iy3 h LYS 13 Cb 1.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1iy3 h LYS 13 CO 0.11 0.94 0.15 0.00 -2.27 0.00 0.00 179.45 178.39 1iy3 h ARG 14 N 0.73 0.69 0.02 1.90 3.08 -0.27 -2.56 114.38 117.98 1iy3 h ARG 14 Ca 0.11 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1iy3 h ARG 14 Cb 0.70 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1iy3 h ARG 14 CO 0.05 0.60 -1.01 -0.07 -1.07 0.00 0.00 179.97 178.47 1iy3 h LEU 15 N 0.68 0.07 0.00 3.04 -0.00 -1.31 -3.48 115.31 114.31 1iy3 h LEU 15 Ca 0.16 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1iy3 h LEU 15 Cb 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1iy3 h LEU 15 CO -0.01 1.03 0.00 0.61 -0.00 0.00 0.00 178.44 180.07 1iy3 n GLY 16 N 1.30 1.48 0.22 0.83 0.00 -0.29 -5.00 105.19 103.72 1iy3 n GLY 16 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1iy3 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iy3 h MET 17 N 0.75 0.00 -5.85 1.61 2.86 -0.91 -3.42 114.93 109.97 1iy3 h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1iy3 h MET 17 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1iy3 h MET 17 CO 0.00 0.00 1.53 -0.40 1.06 0.00 0.00 176.91 179.10 1iy3 n ASP 18 N -3.04 2.74 -1.56 1.22 5.75 -1.23 -1.80 116.55 118.63 1iy3 n ASP 18 Ca 0.04 0.03 -0.06 0.00 -0.01 0.00 0.00 54.79 54.79 1iy3 n ASP 18 Cb 0.49 -1.50 0.02 0.00 -1.03 0.00 0.00 41.12 39.10 1iy3 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iy3 n GLY 19 N 5.98 0.34 3.68 6.12 0.00 -1.20 -4.85 105.19 115.27 1iy3 n GLY 19 Ca 0.35 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1iy3 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iy3 s TYR 20 N -3.10 3.03 -1.91 1.61 5.04 -0.45 -4.53 117.35 117.05 1iy3 s TYR 20 Ca 0.06 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1iy3 s TYR 20 Cb -0.03 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.66 1iy3 s TYR 20 CO 0.20 0.46 0.00 -2.13 -1.34 0.00 0.00 175.55 172.74 1iy3 n ARG 21 N 1.16 -1.58 0.00 4.97 0.63 -1.26 -1.39 116.66 119.19 1iy3 n ARG 21 Ca -0.13 1.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1iy3 n ARG 21 Cb 0.52 -5.56 0.00 0.00 0.45 0.00 0.00 32.46 27.87 1iy3 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iy3 n GLY 22 N -0.64 2.81 3.92 5.14 0.00 -1.26 -5.02 105.19 110.13 1iy3 n GLY 22 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1iy3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iy3 s ILE 23 N -2.02 5.08 0.22 -0.61 1.01 -0.48 -5.04 121.20 119.36 1iy3 s ILE 23 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1iy3 s ILE 23 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1iy3 s ILE 23 CO 0.00 -0.36 0.18 -0.94 0.00 0.00 0.00 174.94 173.82 1iy3 s SER 24 N -3.40 5.52 0.50 3.58 1.04 -1.26 -1.34 113.70 118.35 1iy3 s SER 24 Ca 0.42 -0.21 0.19 0.00 0.48 0.00 0.00 55.95 56.82 1iy3 s SER 24 Cb -0.10 -1.41 1.26 0.00 0.10 0.00 0.00 66.02 65.86 1iy3 s SER 24 CO 0.32 -0.00 2.06 0.25 0.98 0.00 0.00 173.24 176.84 1iy3 h LEU 25 N 1.78 0.08 -0.77 2.42 6.46 -1.89 -2.01 115.31 121.39 1iy3 h LEU 25 Ca -0.48 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 57.44 1iy3 h LEU 25 Cb 1.23 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 41.04 1iy3 h LEU 25 CO 0.61 0.05 0.28 0.00 -0.62 0.00 0.00 178.44 178.77 1iy3 h ALA 26 N 1.83 1.08 -0.03 1.25 0.00 -1.91 0.66 119.26 122.16 1iy3 h ALA 26 Ca 0.15 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1iy3 h ALA 26 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iy3 h ALA 26 CO -0.02 -0.26 -0.76 -0.91 0.00 0.00 0.00 179.25 177.30 1iy3 h ASN 27 N 0.39 0.27 -0.34 0.00 4.21 -1.57 -2.27 115.58 116.27 1iy3 h ASN 27 Ca 0.44 -0.19 -0.16 0.00 1.21 0.00 0.00 56.30 57.59 1iy3 h ASN 27 Cb 0.71 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 1iy3 h ASN 27 CO -0.45 0.93 -0.42 -0.50 -1.29 0.00 0.00 177.43 175.70 1iy3 h TRP 28 N 0.14 1.09 -0.10 1.19 4.06 -0.68 -2.87 115.95 118.79 1iy3 h TRP 28 Ca -0.03 -0.34 -0.24 0.00 2.06 0.00 0.00 58.89 60.34 1iy3 h TRP 28 Cb 1.34 -0.23 0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1iy3 h TRP 28 CO 0.03 1.16 -0.86 0.52 -3.56 0.00 0.00 178.44 175.73 1iy3 h MET 29 N 0.73 0.76 0.00 0.49 2.86 0.19 -2.73 114.93 117.24 1iy3 h MET 29 Ca 0.05 -0.69 -0.01 0.00 -2.06 0.00 0.00 59.70 57.00 1iy3 h MET 29 Cb 1.01 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1iy3 h MET 29 CO 0.10 1.28 -0.04 0.00 1.06 0.00 0.00 176.91 179.31 1iy3 h LEU 31 N 0.00 0.48 -2.23 0.00 5.85 -1.45 -3.21 115.31 114.74 1iy3 h LEU 31 Ca -0.00 -0.80 0.04 0.00 0.84 0.00 0.00 57.88 57.96 1iy3 h LEU 31 Cb 0.08 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1iy3 h LEU 31 CO 0.01 1.22 0.12 0.00 -0.34 0.00 0.00 178.44 179.45 1iy3 h ALA 32 N 0.26 1.83 -0.13 1.25 0.00 -1.12 0.12 119.26 121.48 1iy3 h ALA 32 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iy3 h ALA 32 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1iy3 h ALA 32 CO 0.11 -0.19 0.07 -0.22 0.00 0.00 0.00 179.25 179.03 1iy3 h LYS 33 N 0.00 0.18 0.00 0.00 3.64 -1.44 0.16 116.57 119.11 1iy3 h LYS 33 Ca 0.06 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1iy3 h LYS 33 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1iy3 h LYS 33 CO -0.00 0.19 -1.24 0.91 -2.27 0.00 0.00 179.45 177.04 1iy3 n TRP 34 N -4.96 0.97 0.05 1.91 7.02 -0.93 -1.54 117.44 119.96 1iy3 n TRP 34 Ca -0.05 0.30 -0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1iy3 n TRP 34 Cb 0.06 -1.03 -0.09 0.00 -2.42 0.00 0.00 31.31 27.84 1iy3 n TRP 34 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1iy3 h GLU 35 N 0.00 -0.15 0.00 -0.99 4.57 -0.74 -3.41 114.58 113.86 1iy3 h GLU 35 Ca -0.09 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1iy3 h GLU 35 Cb 1.32 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1iy3 h GLU 35 CO 0.02 0.27 0.00 0.43 -1.18 0.00 0.00 179.01 178.55 1iy3 n SER 36 N -4.95 0.00 -3.15 1.04 7.64 -0.65 -4.85 113.62 108.71 1iy3 n SER 36 Ca -0.09 -1.00 -0.15 0.00 1.01 0.00 0.00 58.87 58.64 1iy3 n SER 36 Cb 0.25 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.53 1iy3 n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iy3 n GLY 37 N 0.00 -0.31 3.86 0.23 0.00 0.46 -2.66 105.19 106.77 1iy3 n GLY 37 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1iy3 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iy3 n TYR 38 N -3.73 -2.09 -4.06 1.61 4.01 -0.91 -4.66 117.16 107.32 1iy3 n TYR 38 Ca -0.24 0.87 -0.31 0.00 -0.16 0.00 0.00 57.90 58.06 1iy3 n TYR 38 Cb 0.65 -4.05 -0.16 0.00 -0.31 0.00 0.00 39.34 35.46 1iy3 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1iy3 s ASN 39 N -3.75 2.78 0.06 7.72 2.47 -1.09 -0.46 114.94 122.67 1iy3 s ASN 39 Ca 0.39 -0.52 -0.15 0.00 0.42 0.00 0.00 52.86 53.00 1iy3 s ASN 39 Cb -0.20 -1.24 -0.23 0.00 -1.45 0.00 0.00 41.25 38.13 1iy3 s ASN 39 CO 0.83 -0.04 1.18 0.74 -3.72 0.00 0.00 177.10 176.09 1iy3 h THR 40 N 6.02 1.30 0.00 -5.21 2.02 -1.51 -3.13 112.91 112.41 1iy3 h THR 40 Ca -0.40 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1iy3 h THR 40 Cb 1.14 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1iy3 h THR 40 CO 0.55 0.68 0.00 0.54 0.37 0.00 0.00 175.52 177.66 1iy3 n ARG 41 N -3.92 0.15 -1.69 6.66 1.74 -1.12 -3.27 116.66 115.21 1iy3 n ARG 41 Ca -0.11 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 57.01 1iy3 n ARG 41 Cb 0.85 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1iy3 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iy3 n ALA 42 N -1.73 2.02 -3.28 7.54 0.00 -1.18 -4.79 120.51 119.08 1iy3 n ALA 42 Ca 0.01 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.65 1iy3 n ALA 42 Cb 0.16 -2.56 -0.13 0.00 0.00 0.00 0.00 19.45 16.91 1iy3 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iy3 s THR 43 N 2.61 -0.02 0.25 0.00 -4.23 -1.26 -2.73 115.64 110.27 1iy3 s THR 43 Ca 0.82 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1iy3 s THR 43 Cb -0.52 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 1iy3 s THR 43 CO 0.38 0.03 0.37 0.21 -0.54 0.00 0.00 174.62 175.07 1iy3 s ASN 44 N 0.48 6.28 0.52 3.99 2.47 0.06 -4.92 114.94 123.82 1iy3 s ASN 44 Ca -0.03 0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.32 1iy3 s ASN 44 Cb -0.05 -1.79 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1iy3 s ASN 44 CO -0.02 -0.11 0.12 -0.31 -3.72 0.00 0.00 177.10 173.05 1iy3 s TYR 45 N -2.00 1.81 0.10 0.43 1.51 -1.26 -0.99 117.35 116.93 1iy3 s TYR 45 Ca 0.35 -0.92 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1iy3 s TYR 45 Cb -0.09 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1iy3 s TYR 45 CO 0.29 0.03 -0.09 0.54 -1.11 0.00 0.00 175.55 175.22 1iy3 s ASN 46 N -3.99 1.32 -0.93 2.29 2.20 -1.26 -4.79 114.94 109.79 1iy3 s ASN 46 Ca 0.14 -0.85 -0.03 0.00 -0.94 0.00 0.00 52.86 51.18 1iy3 s ASN 46 Cb 0.01 0.03 0.23 0.00 -2.00 0.00 0.00 41.25 39.52 1iy3 s ASN 46 CO 0.08 -0.32 0.83 0.00 -2.94 0.00 0.00 177.10 174.75 1iy3 s ALA 47 N -2.72 4.32 0.00 3.54 0.00 -1.26 -4.63 121.76 121.01 1iy3 s ALA 47 Ca 0.06 -3.85 0.00 0.00 0.00 0.00 0.00 51.96 48.18 1iy3 s ALA 47 Cb -0.01 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1iy3 s ALA 47 CO -0.01 -2.15 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1iy3 n GLY 48 N 2.37 0.71 0.00 0.00 0.00 -1.26 -4.96 105.19 102.05 1iy3 n GLY 48 Ca 0.22 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1iy3 n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iy3 n ASP 49 N 1.66 1.18 -2.50 1.61 8.00 -1.26 -5.02 116.55 120.22 1iy3 n ASP 49 Ca 0.00 -0.35 -0.21 0.00 0.71 0.00 0.00 54.79 54.94 1iy3 n ASP 49 Cb 0.48 0.94 -0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1iy3 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy3 n ARG 50 N -1.05 -2.32 -3.55 -1.24 5.12 -1.26 -4.95 116.66 107.40 1iy3 n ARG 50 Ca 0.00 0.99 -0.29 0.00 -1.93 0.00 0.00 57.85 56.62 1iy3 n ARG 50 Cb 0.00 -5.69 -0.12 0.00 -1.16 0.00 0.00 32.46 25.49 1iy3 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1iy3 s SER 51 N -2.19 3.14 -0.17 0.55 1.04 -1.26 -3.86 113.70 110.95 1iy3 s SER 51 Ca 0.06 -2.40 -0.14 0.00 0.48 0.00 0.00 55.95 53.95 1iy3 s SER 51 Cb -0.03 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 1iy3 s SER 51 CO 0.08 -0.29 0.32 -0.89 0.98 0.00 0.00 173.24 173.44 1iy3 s THR 52 N 0.75 5.27 -0.02 2.02 2.01 -1.26 -4.33 115.64 120.09 1iy3 s THR 52 Ca 0.19 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 1iy3 s THR 52 Cb -0.22 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1iy3 s THR 52 CO -0.01 0.34 1.10 -1.81 -0.69 0.00 0.00 174.62 173.56 1iy3 s ASP 53 N 0.68 7.19 -0.06 3.53 1.01 -0.16 -1.17 116.67 127.69 1iy3 s ASP 53 Ca 0.17 1.77 -0.00 0.00 0.71 0.00 0.00 52.55 55.20 1iy3 s ASP 53 Cb -0.14 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.25 1iy3 s ASP 53 CO 0.05 -0.43 -0.02 -0.31 0.21 0.00 0.00 175.17 174.67 1iy3 s TYR 54 N 1.52 0.75 0.00 4.23 1.51 0.17 -0.76 117.35 124.76 1iy3 s TYR 54 Ca 0.54 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 1iy3 s TYR 54 Cb -0.24 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 1iy3 s TYR 54 CO 0.25 -0.28 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1iy3 n GLY 55 N 4.65 2.60 0.24 0.71 0.00 -1.10 -3.21 105.19 109.08 1iy3 n GLY 55 Ca -0.15 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.85 1iy3 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iy3 h ILE 56 N 0.10 0.80 -0.62 -0.61 2.10 -1.62 -2.33 117.51 115.33 1iy3 h ILE 56 Ca 0.00 -0.75 0.00 0.00 1.08 0.00 0.00 64.86 65.19 1iy3 h ILE 56 Cb 0.00 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1iy3 h ILE 56 CO 0.00 0.19 0.00 0.49 -1.08 0.00 0.00 178.15 177.75 1iy3 n PHE 57 N -3.82 1.36 -3.14 2.19 3.01 -1.26 -3.91 117.46 111.89 1iy3 n PHE 57 Ca -0.02 -0.55 -0.20 0.00 1.01 0.00 0.00 57.45 57.70 1iy3 n PHE 57 Cb 0.29 -0.21 0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1iy3 n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1iy3 n GLN 58 N 1.11 -2.12 -3.74 -1.08 6.02 -0.88 -4.96 117.38 111.73 1iy3 n GLN 58 Ca 0.24 1.79 -0.37 0.00 -0.01 0.00 0.00 57.00 58.65 1iy3 n GLN 58 Cb 0.82 -3.77 -0.12 0.00 1.02 0.00 0.00 30.24 28.19 1iy3 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1iy3 s ILE 59 N -1.92 4.23 0.75 5.09 1.01 -1.20 -4.73 121.20 124.44 1iy3 s ILE 59 Ca 0.26 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 1iy3 s ILE 59 Cb -0.05 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.38 1iy3 s ILE 59 CO 0.75 0.18 1.24 0.20 0.00 0.00 0.00 174.94 177.31 1iy3 s ASN 60 N 1.57 3.97 -0.22 3.58 0.01 -1.26 -0.66 114.94 121.94 1iy3 s ASN 60 Ca 0.05 2.45 0.10 0.00 -0.71 0.00 0.00 52.86 54.75 1iy3 s ASN 60 Cb -0.16 -2.60 0.63 0.00 0.41 0.00 0.00 41.25 39.53 1iy3 s ASN 60 CO 0.04 -2.42 1.53 -0.24 -1.51 0.00 0.00 177.10 174.50 1iy3 n SER 61 N -2.79 4.54 -0.01 -1.22 2.88 -0.31 -3.63 113.62 113.09 1iy3 n SER 61 Ca 0.14 -2.83 0.01 0.00 -1.33 0.00 0.00 58.87 54.86 1iy3 n SER 61 Cb 0.50 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1iy3 n SER 61 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1iy3 n ARG 62 N 0.26 1.00 0.00 -1.46 0.63 -1.25 -3.25 116.66 112.59 1iy3 n ARG 62 Ca 0.27 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1iy3 n ARG 62 Cb 1.08 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.87 1iy3 n ARG 62 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1iy3 n TYR 63 N -1.81 0.00 0.03 -0.14 4.19 -1.26 -1.05 117.16 117.13 1iy3 n TYR 63 Ca -0.03 -0.08 0.00 0.00 3.31 0.00 0.00 57.90 61.10 1iy3 n TYR 63 Cb 0.27 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.09 1iy3 n TYR 63 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1iy3 n TRP 64 N -0.08 -0.38 -4.27 2.98 5.03 -1.24 -4.19 117.44 115.29 1iy3 n TRP 64 Ca 0.00 0.07 -0.19 0.00 3.03 0.00 0.00 57.50 60.41 1iy3 n TRP 64 Cb 0.21 0.21 -0.08 0.00 -1.03 0.00 0.00 31.31 30.62 1iy3 n TRP 64 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iy3 s ASN 66 N -3.36 3.44 0.31 0.00 3.84 -1.11 -4.01 114.94 114.05 1iy3 s ASN 66 Ca 0.40 -0.85 0.05 0.00 0.21 0.00 0.00 52.86 52.67 1iy3 s ASN 66 Cb 0.02 -1.42 0.50 0.00 -0.55 0.00 0.00 41.25 39.80 1iy3 s ASN 66 CO 0.27 -0.08 1.76 0.44 -2.79 0.00 0.00 177.10 176.71 1iy3 h ASP 67 N 7.92 0.38 0.00 -4.21 3.32 -1.87 -2.73 116.42 119.24 1iy3 h ASP 67 Ca -0.36 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1iy3 h ASP 67 Cb 1.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1iy3 h ASP 67 CO 0.56 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 179.32 1iy3 n GLY 68 N -0.45 -0.51 2.05 2.75 0.00 -1.26 -4.61 105.19 103.16 1iy3 n GLY 68 Ca -0.01 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 1iy3 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iy3 n LYS 69 N 0.00 3.36 -3.47 1.61 2.85 -1.26 -4.98 118.16 116.27 1iy3 n LYS 69 Ca 0.00 -3.95 -0.43 0.00 -1.05 0.00 0.00 58.31 52.88 1iy3 n LYS 69 Cb 0.00 -2.26 -0.10 0.00 -0.65 0.00 0.00 35.03 32.02 1iy3 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1iy3 s THR 70 N -4.60 5.17 0.17 0.58 2.01 -1.26 -4.95 115.64 112.76 1iy3 s THR 70 Ca 0.54 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1iy3 s THR 70 Cb 0.43 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 1iy3 s THR 70 CO 0.03 -0.32 1.48 1.55 -0.69 0.00 0.00 174.62 176.67 1iy3 h PRO 71 N 8.61 0.67 0.00 4.92 0.13 -1.91 -3.07 132.00 141.35 1iy3 h PRO 71 Ca -0.27 -0.41 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 1iy3 h PRO 71 Cb 1.12 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1iy3 h PRO 71 CO 0.73 1.03 -0.18 0.78 -0.23 0.00 0.00 178.00 180.13 1iy3 h GLY 72 N 0.94 0.00 -6.60 1.56 0.00 -1.88 -3.44 103.07 93.65 1iy3 h GLY 72 Ca 0.01 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.58 1iy3 h GLY 72 CO 0.11 0.00 0.96 0.00 0.00 0.00 0.00 176.54 177.61 1iy3 n ALA 73 N -2.30 -0.23 0.91 3.60 0.00 -1.16 -4.53 120.51 116.79 1iy3 n ALA 73 Ca -0.01 0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.89 1iy3 n ALA 73 Cb 0.30 -2.19 0.33 0.00 0.00 0.00 0.00 19.45 17.89 1iy3 n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1iy3 n VAL 74 N 4.96 0.08 -3.51 0.00 3.14 -0.21 -4.92 118.33 117.87 1iy3 n VAL 74 Ca 0.32 -0.06 -0.20 0.00 -2.96 0.00 0.00 64.34 61.44 1iy3 n VAL 74 Cb 0.09 -0.03 0.08 0.00 -1.06 0.00 0.00 33.84 32.92 1iy3 n VAL 74 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1iy3 n ASN 75 N -1.63 -3.57 0.02 6.55 4.13 -1.26 -4.92 115.26 114.58 1iy3 n ASN 75 Ca 0.05 -0.60 -0.12 0.00 1.68 0.00 0.00 54.58 55.59 1iy3 n ASN 75 Cb 0.36 -5.03 -0.08 0.00 -1.54 0.00 0.00 39.78 33.49 1iy3 n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iy3 h ALA 76 N 0.94 -0.01 0.00 5.41 0.00 -1.19 -2.43 119.26 121.98 1iy3 h ALA 76 Ca -0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1iy3 h ALA 76 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1iy3 h ALA 76 CO 0.53 -0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.28 1iy3 n HIS 78 N -3.22 -2.05 -3.06 0.00 -0.00 -0.92 -4.87 115.22 101.11 1iy3 n HIS 78 Ca 0.01 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.91 1iy3 n HIS 78 Cb 0.38 -3.80 0.00 0.00 -0.12 0.00 0.00 29.99 26.45 1iy3 n HIS 78 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1iy3 n LEU 79 N -2.75 0.00 -4.69 0.27 -0.00 -1.26 -5.09 117.00 103.47 1iy3 n LEU 79 Ca -0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.60 1iy3 n LEU 79 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.92 1iy3 n LEU 79 CO 0.47 0.00 -0.16 -0.55 -0.00 0.00 0.00 177.39 177.15 1iy3 s SER 80 N -0.72 6.18 0.44 1.45 0.15 -1.26 -2.76 113.70 117.19 1iy3 s SER 80 Ca 0.00 0.20 0.11 0.00 0.70 0.00 0.00 55.95 56.95 1iy3 s SER 80 Cb 0.00 -2.11 1.00 0.00 -1.71 0.00 0.00 66.02 63.20 1iy3 s SER 80 CO 0.00 0.11 2.06 0.00 1.20 0.00 0.00 173.24 176.62 1iy3 h SER 82 N 0.39 0.88 0.01 0.00 0.87 -1.83 -0.85 113.55 113.02 1iy3 h SER 82 Ca 0.14 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1iy3 h SER 82 Cb 0.10 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1iy3 h SER 82 CO -0.03 0.55 -0.01 0.00 -0.53 0.00 0.00 176.83 176.81 1iy3 h ALA 83 N 1.43 1.93 -0.29 6.23 0.00 -1.73 -1.69 119.26 125.15 1iy3 h ALA 83 Ca 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1iy3 h ALA 83 Cb 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1iy3 h ALA 83 CO -0.19 0.01 0.04 -0.07 0.00 0.00 0.00 179.25 179.04 1iy3 h LEU 84 N 0.00 0.39 0.00 0.00 3.38 -1.20 -2.05 115.31 115.83 1iy3 h LEU 84 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iy3 h LEU 84 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1iy3 h LEU 84 CO 0.00 0.42 -0.66 0.17 0.09 0.00 0.00 178.44 178.45 1iy3 h LEU 85 N 0.42 0.00-10.29 1.67 8.10 -1.36 -3.33 115.31 110.52 1iy3 h LEU 85 Ca 0.10 -0.16 -0.47 0.00 0.11 0.00 0.00 57.88 57.45 1iy3 h LEU 85 Cb 0.21 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 40.59 1iy3 h LEU 85 CO 0.00 0.08 0.19 -1.10 -4.11 0.00 0.00 178.44 173.50 1iy3 s GLN 86 N -3.20 0.67 0.38 0.17 -0.21 -0.77 -2.80 119.66 113.89 1iy3 s GLN 86 Ca 0.05 0.88 0.07 0.00 0.02 0.00 0.00 55.36 56.38 1iy3 s GLN 86 Cb 0.12 -1.74 0.80 0.00 1.00 0.00 0.00 33.01 33.20 1iy3 s GLN 86 CO 0.73 -2.66 1.98 -0.44 -2.12 0.00 0.00 175.29 172.78 1iy3 h ASP 87 N -1.86 0.59 -2.48 5.90 3.32 -1.91 -3.41 116.42 116.56 1iy3 h ASP 87 Ca -0.52 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.00 1iy3 h ASP 87 Cb 1.30 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.73 1iy3 h ASP 87 CO 0.52 0.39 1.16 0.54 -1.72 0.00 0.00 179.24 180.13 1iy3 s ASN 88 N -6.31 6.54 0.02 6.45 4.22 -1.26 -4.68 114.94 119.92 1iy3 s ASN 88 Ca -0.09 2.51 0.26 0.00 -2.14 0.00 0.00 52.86 53.39 1iy3 s ASN 88 Cb 0.19 -2.53 0.68 0.00 1.28 0.00 0.00 41.25 40.86 1iy3 s ASN 88 CO 0.76 -0.99 1.54 2.30 -2.04 0.00 0.00 177.10 178.67 1iy3 n ILE 89 N 5.44 0.06 -0.25 0.54 -5.35 -1.26 -4.19 119.36 114.35 1iy3 n ILE 89 Ca 0.19 -0.04 0.05 0.00 -0.27 0.00 0.00 62.75 62.67 1iy3 n ILE 89 Cb 0.42 -0.01 0.18 0.00 -1.74 0.00 0.00 39.64 38.48 1iy3 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iy3 h ALA 90 N 2.92 1.02 -0.32 -1.28 0.00 -1.92 0.26 119.26 119.93 1iy3 h ALA 90 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1iy3 h ALA 90 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iy3 h ALA 90 CO 0.00 -0.24 -0.10 -0.44 0.00 0.00 0.00 179.25 178.47 1iy3 h ASP 91 N 0.40 0.65 -0.64 0.00 3.32 -1.85 0.39 116.42 118.69 1iy3 h ASP 91 Ca 0.41 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1iy3 h ASP 91 Cb 0.64 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1iy3 h ASP 91 CO -0.42 0.88 0.40 0.00 -1.72 0.00 0.00 179.24 178.37 1iy3 h ALA 92 N 0.79 0.82 0.01 3.45 0.00 -1.48 0.78 119.26 123.63 1iy3 h ALA 92 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iy3 h ALA 92 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iy3 h ALA 92 CO 0.04 0.28 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 1iy3 h VAL 93 N 0.87 1.42 -0.97 0.00 2.07 -0.43 0.11 116.25 119.32 1iy3 h VAL 93 Ca 0.23 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1iy3 h VAL 93 Cb -0.04 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1iy3 h VAL 93 CO -0.05 0.34 0.63 0.00 0.02 0.00 0.00 177.57 178.51 1iy3 h ALA 94 N 0.41 1.49 0.11 1.67 0.00 -0.10 0.16 119.26 123.00 1iy3 h ALA 94 Ca -0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1iy3 h ALA 94 Cb 0.56 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1iy3 h ALA 94 CO 0.00 0.33 -1.21 0.00 0.00 0.00 0.00 179.25 178.38 1iy3 h ALA 96 N 0.46 0.54 -0.41 0.00 0.00 -0.04 -2.17 119.26 117.64 1iy3 h ALA 96 Ca -0.16 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1iy3 h ALA 96 Cb 1.89 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1iy3 h ALA 96 CO 0.22 0.01 0.04 0.87 0.00 0.00 0.00 179.25 180.39 1iy3 h LYS 97 N 0.56 0.15 -0.66 0.00 1.57 -0.76 -0.77 116.57 116.66 1iy3 h LYS 97 Ca 0.15 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1iy3 h LYS 97 Cb -0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1iy3 h LYS 97 CO -0.03 0.10 0.44 -0.09 -0.57 0.00 0.00 179.45 179.30 1iy3 h ARG 98 N 0.16 0.70 -0.43 3.15 9.65 -1.35 0.50 114.38 126.76 1iy3 h ARG 98 Ca 0.20 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 1iy3 h ARG 98 Cb 0.26 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1iy3 h ARG 98 CO -0.29 0.46 -0.04 0.28 2.80 0.00 0.00 179.97 183.18 1iy3 h VAL 99 N 0.72 1.27 0.00 0.20 2.07 -0.54 -2.96 116.25 117.00 1iy3 h VAL 99 Ca 0.28 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1iy3 h VAL 99 Cb 0.19 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1iy3 h VAL 99 CO -0.08 0.37 -0.27 -0.37 0.02 0.00 0.00 177.57 177.24 1iy3 h VAL 100 N 0.61 0.00 0.00 2.57 -1.51 -0.69 -3.24 116.25 113.99 1iy3 h VAL 100 Ca 0.12 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1iy3 h VAL 100 Cb 0.54 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1iy3 h VAL 100 CO 0.03 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 176.40 1iy3 h ARG 101 N 0.00 0.00 -7.55 5.19 2.47 0.15 -3.29 114.38 111.36 1iy3 h ARG 101 Ca 0.00 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.28 1iy3 h ARG 101 Cb 0.95 0.00 0.17 0.00 -1.65 0.00 0.00 29.97 29.44 1iy3 h ARG 101 CO 0.00 0.00 0.26 -0.51 0.56 0.00 0.00 179.97 180.28 1iy3 s ASP 102 N -5.08 2.26 0.56 7.04 1.01 -1.22 -4.92 116.67 116.32 1iy3 s ASP 102 Ca -0.03 0.62 0.33 0.00 0.71 0.00 0.00 52.55 54.17 1iy3 s ASP 102 Cb 0.11 -0.89 1.61 0.00 1.01 0.00 0.00 42.92 44.76 1iy3 s ASP 102 CO 0.41 -3.29 2.10 1.55 0.21 0.00 0.00 175.17 176.15 1iy3 h PRO 103 N -2.01 0.00 -0.22 8.23 0.13 -1.90 -2.81 132.00 133.41 1iy3 h PRO 103 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1iy3 h PRO 103 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1iy3 h PRO 103 CO 0.43 0.07 -0.43 1.96 -0.23 0.00 0.00 178.00 179.79 1iy3 h GLN 104 N 0.00 0.69 0.00 0.86 4.20 -1.88 -3.49 115.11 115.49 1iy3 h GLN 104 Ca -0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1iy3 h GLN 104 Cb 0.34 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1iy3 h GLN 104 CO 0.01 1.06 0.00 0.41 -0.67 0.00 0.00 178.83 179.64 1iy3 n GLY 105 N 0.39 0.34 1.62 3.46 0.00 -1.06 -3.55 105.19 106.39 1iy3 n GLY 105 Ca -0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1iy3 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1iy3 n ILE 106 N 0.00 2.12 -1.01 -0.61 0.13 -1.26 -3.88 119.36 114.85 1iy3 n ILE 106 Ca 0.00 -0.97 0.09 0.00 -1.10 0.00 0.00 62.75 60.76 1iy3 n ILE 106 Cb 0.00 -0.74 0.24 0.00 -0.84 0.00 0.00 39.64 38.30 1iy3 n ILE 106 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1iy3 n ARG 107 N -0.32 2.66 -0.07 9.51 1.74 -1.23 -4.64 116.66 124.32 1iy3 n ARG 107 Ca 0.30 -2.80 -0.15 0.00 -0.77 0.00 0.00 57.85 54.43 1iy3 n ARG 107 Cb 1.08 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 1iy3 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iy3 h ALA 108 N 1.51 0.40 -2.76 7.54 0.00 -1.86 -3.43 119.26 120.66 1iy3 h ALA 108 Ca 0.00 -0.51 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1iy3 h ALA 108 Cb 1.37 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1iy3 h ALA 108 CO 0.19 0.60 -0.20 -1.58 0.00 0.00 0.00 179.25 178.27 1iy3 s TRP 109 N -4.06 3.67 0.32 0.00 0.52 -1.26 -4.98 118.94 113.15 1iy3 s TRP 109 Ca -0.11 0.95 0.14 0.00 0.02 0.00 0.00 56.10 57.10 1iy3 s TRP 109 Cb 0.09 -2.35 0.67 0.00 -1.15 0.00 0.00 33.47 30.73 1iy3 s TRP 109 CO 0.88 0.52 1.78 -0.24 0.02 0.00 0.00 176.95 179.90 1iy3 h VAL 110 N 3.97 1.22 -0.00 4.03 3.04 -1.97 -2.82 116.25 123.71 1iy3 h VAL 110 Ca -0.49 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 1iy3 h VAL 110 Cb 1.21 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1iy3 h VAL 110 CO 0.65 0.41 0.01 0.00 -1.01 0.00 0.00 177.57 177.63 1iy3 h ALA 111 N 1.58 1.48 -0.15 3.17 0.00 -1.98 -1.19 119.26 122.18 1iy3 h ALA 111 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1iy3 h ALA 111 Cb 0.78 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1iy3 h ALA 111 CO 0.05 -0.01 -0.50 2.35 0.00 0.00 0.00 179.25 181.14 1iy3 h TRP 112 N 0.00 0.79 -0.11 0.00 7.01 -1.84 -2.60 115.95 119.20 1iy3 h TRP 112 Ca 0.00 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.68 1iy3 h TRP 112 Cb 0.01 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1iy3 h TRP 112 CO 0.00 1.11 0.00 2.89 -2.79 0.00 0.00 178.44 179.65 1iy3 n ARG 113 N -4.19 1.55 -0.12 2.65 1.85 -0.81 -0.02 116.66 117.56 1iy3 n ARG 113 Ca -0.07 -0.82 -0.16 0.00 -1.00 0.00 0.00 57.85 55.80 1iy3 n ARG 113 Cb 0.60 -1.39 -0.13 0.00 -1.05 0.00 0.00 32.46 30.49 1iy3 n ARG 113 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1iy3 n ASN 114 N 0.03 1.48 0.00 2.89 3.02 -0.51 -4.19 115.26 117.98 1iy3 n ASN 114 Ca 0.16 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1iy3 n ASN 114 Cb 0.27 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1iy3 n ASN 114 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1iy3 n ARG 115 N -3.13 2.93 -0.32 3.52 1.74 -0.99 -4.78 116.66 115.62 1iy3 n ARG 115 Ca -0.43 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 1iy3 n ARG 115 Cb 1.03 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1iy3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iy3 s GLN 117 N -0.03 1.92 -1.58 0.00 0.74 0.98 -2.79 119.66 118.89 1iy3 s GLN 117 Ca 0.00 1.10 -0.15 0.00 0.05 0.00 0.00 55.36 56.36 1iy3 s GLN 117 Cb 0.00 -4.65 0.11 0.00 1.10 0.00 0.00 33.01 29.57 1iy3 s GLN 117 CO 0.00 -3.68 0.88 -1.71 -0.55 0.00 0.00 175.29 170.23 1iy3 n ASN 118 N 16.89 -4.24 -5.00 6.67 2.85 -1.26 -4.96 115.26 126.21 1iy3 n ASN 118 Ca 0.40 -0.83 -0.18 0.00 -0.11 0.00 0.00 54.58 53.86 1iy3 n ASN 118 Cb 0.51 -3.42 0.00 0.00 1.24 0.00 0.00 39.78 38.12 1iy3 n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1iy3 s ARG 119 N -6.69 2.94 -0.99 1.20 6.06 -1.12 -5.00 118.95 115.35 1iy3 s ARG 119 Ca 0.68 -1.13 -0.23 0.00 -2.50 0.00 0.00 55.73 52.55 1iy3 s ARG 119 Cb -0.35 -2.78 -0.00 0.00 0.06 0.00 0.00 34.95 31.88 1iy3 s ARG 119 CO 0.84 -0.15 1.73 -0.51 -2.50 0.00 0.00 175.30 174.71 1iy3 s ASP 120 N -4.28 5.79 -0.12 -2.12 1.01 -1.26 -4.72 116.67 110.97 1iy3 s ASP 120 Ca 0.51 -1.14 0.15 0.00 0.71 0.00 0.00 52.55 52.78 1iy3 s ASP 120 Cb -0.10 -2.57 0.53 0.00 1.01 0.00 0.00 42.92 41.80 1iy3 s ASP 120 CO 0.32 -2.17 1.45 1.33 0.21 0.00 0.00 175.17 176.32 1iy3 n VAL 121 N 7.39 1.91 0.11 -1.27 0.24 -1.26 -4.58 118.33 120.87 1iy3 n VAL 121 Ca 0.38 -1.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.20 1iy3 n VAL 121 Cb 0.49 0.01 0.33 0.00 -1.47 0.00 0.00 33.84 33.20 1iy3 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iy3 h ARG 122 N 2.48 0.24 0.00 7.34 3.08 -1.85 -2.71 114.38 122.96 1iy3 h ARG 122 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1iy3 h ARG 122 Cb 1.31 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1iy3 h ARG 122 CO 0.19 0.46 -0.01 -0.56 -1.07 0.00 0.00 179.97 178.98 1iy3 h GLN 123 N 0.22 0.00 -0.79 0.04 3.07 -1.87 0.52 115.11 116.30 1iy3 h GLN 123 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1iy3 h GLN 123 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.05 1iy3 h GLN 123 CO 0.04 0.01 0.42 1.88 0.09 0.00 0.00 178.83 181.27 1iy3 h TYR 124 N 0.00 1.10 0.00 0.06 0.05 -1.80 -3.23 116.97 113.15 1iy3 h TYR 124 Ca -0.00 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1iy3 h TYR 124 Cb 0.05 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1iy3 h TYR 124 CO 0.00 0.78 -1.90 1.33 -1.05 0.00 0.00 178.16 177.32 1iy3 n VAL 125 N -4.40 0.25 -2.30 -2.88 0.24 -1.02 -4.82 118.33 103.40 1iy3 n VAL 125 Ca 0.07 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 61.47 1iy3 n VAL 125 Cb 0.10 -0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.40 1iy3 n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1iy3 s GLN 126 N -3.07 3.94 0.00 7.34 0.74 0.14 -3.41 119.66 125.34 1iy3 s GLN 126 Ca -0.07 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.83 1iy3 s GLN 126 Cb 0.10 -3.92 0.00 0.00 1.10 0.00 0.00 33.01 30.29 1iy3 s GLN 126 CO 0.74 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 1iy3 n GLY 127 N 4.31 0.78 0.13 2.59 0.00 -1.26 -4.79 105.19 106.94 1iy3 n GLY 127 Ca 0.16 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1iy3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iy3 n GLY 129 N 2.24 0.79 0.44 0.00 0.00 -1.26 -5.03 105.19 102.37 1iy3 n GLY 129 Ca -0.44 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1iy3 n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70