#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyg n SER 2 N 0.00 -7.77 -1.89 1.61 7.64 -1.26 -4.81 113.62 107.15 1iyg n SER 2 Ca 0.00 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1iyg n SER 2 Cb 0.00 -5.34 0.00 0.00 -1.01 0.00 0.00 64.21 57.86 1iyg n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iyg n SER 3 N 0.75 -8.09 0.00 6.43 7.64 -1.26 -5.06 113.62 114.04 1iyg n SER 3 Ca -0.02 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1iyg n SER 3 Cb 0.03 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1iyg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 4 N 1.66 0.18 3.43 0.23 0.00 -1.26 -5.01 105.19 104.41 1iyg n GLY 4 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1iyg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 5 N 0.00 -6.31 0.07 1.61 7.64 -1.26 -4.93 113.62 110.44 1iyg n SER 5 Ca 0.00 -0.56 -0.03 0.00 1.01 0.00 0.00 58.87 59.30 1iyg n SER 5 Cb 0.00 -3.63 -0.01 0.00 -1.01 0.00 0.00 64.21 59.56 1iyg n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1iyg h SER 6 N -0.16 -0.15 0.00 6.43 0.87 -1.94 -3.49 113.55 115.11 1iyg h SER 6 Ca -0.34 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1iyg h SER 6 Cb 1.21 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1iyg h SER 6 CO 0.35 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.16 1iyg n GLY 7 N -0.82 -2.12 0.59 5.77 0.00 -1.26 -5.00 105.19 102.35 1iyg n GLY 7 Ca -0.02 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.67 1iyg n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1iyg n MET 8 N 0.00 0.06 0.20 1.61 1.56 -1.26 -4.21 117.12 115.07 1iyg n MET 8 Ca 0.00 0.02 0.12 0.00 -0.27 0.00 0.00 57.70 57.57 1iyg n MET 8 Cb 0.00 -0.76 0.66 0.00 2.15 0.00 0.00 33.22 35.27 1iyg n MET 8 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1iyg h GLU 9 N -0.06 0.00 0.05 2.12 4.81 -1.98 0.85 114.58 120.37 1iyg h GLU 9 Ca -0.06 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.80 1iyg h GLU 9 Cb 1.07 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 1iyg h GLU 9 CO -0.03 0.00 -2.20 0.00 -0.73 0.00 0.00 179.01 176.05 1iyg n ALA 10 N -1.79 1.23 -0.12 2.92 0.00 -1.26 -2.84 120.51 118.64 1iyg n ALA 10 Ca -0.02 -0.89 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1iyg n ALA 10 Cb 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 1iyg n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iyg h VAL 11 N 0.03 1.16 -0.26 0.00 2.07 -1.10 0.34 116.25 118.49 1iyg h VAL 11 Ca -0.48 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 1iyg h VAL 11 Cb 2.00 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1iyg h VAL 11 CO 0.01 0.17 -0.30 -0.07 0.02 0.00 0.00 177.57 177.40 1iyg h LEU 12 N 0.47 0.70 0.41 2.57 3.38 -1.18 -3.29 115.31 118.37 1iyg h LEU 12 Ca 0.13 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1iyg h LEU 12 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1iyg h LEU 12 CO -0.02 1.05 -0.32 0.78 0.09 0.00 0.00 178.44 180.02 1iyg h ASN 13 N 0.37 -0.86 -3.43 -0.43 2.35 -1.34 -3.41 115.58 108.83 1iyg h ASN 13 Ca 0.04 0.06 -0.53 0.00 -0.55 0.00 0.00 56.30 55.31 1iyg h ASN 13 Cb 0.87 0.27 0.09 0.00 0.05 0.00 0.00 38.32 39.60 1iyg h ASN 13 CO 0.07 -0.46 0.88 -0.70 -1.65 0.00 0.00 177.43 175.57 1iyg s GLU 14 N -4.85 4.11 0.36 0.81 2.12 0.12 -5.01 118.70 116.36 1iyg s GLU 14 Ca -0.12 2.60 0.07 0.00 0.36 0.00 0.00 54.97 57.89 1iyg s GLU 14 Cb 0.02 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 1iyg s GLU 14 CO 0.39 -0.64 -0.02 -0.48 -0.54 0.00 0.00 175.26 173.97 1iyg s LEU 15 N -0.78 2.67 0.95 2.70 0.05 -1.26 -4.82 118.68 118.20 1iyg s LEU 15 Ca 0.62 -1.30 -0.11 0.00 0.05 0.00 0.00 54.13 53.39 1iyg s LEU 15 Cb -0.48 -0.81 0.16 0.00 -2.05 0.00 0.00 46.19 43.01 1iyg s LEU 15 CO 0.51 -0.39 1.09 0.54 -0.55 0.00 0.00 176.35 177.55 1iyg s VAL 16 N -2.82 2.42 -0.05 1.48 0.11 -0.74 -4.89 120.40 115.90 1iyg s VAL 16 Ca 0.34 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.57 1iyg s VAL 16 Cb 0.07 -2.42 -0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1iyg s VAL 16 CO 0.16 -0.18 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.11 1iyg s SER 17 N -3.04 2.54 0.24 3.54 0.01 -1.26 -4.50 113.70 111.23 1iyg s SER 17 Ca 0.65 -0.42 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 1iyg s SER 17 Cb -0.21 -0.77 0.30 0.00 0.21 0.00 0.00 66.02 65.56 1iyg s SER 17 CO 0.59 0.18 1.55 1.62 0.41 0.00 0.00 173.24 177.59 1iyg h VAL 18 N 5.27 0.00 -0.91 3.43 3.04 -1.96 1.54 116.25 126.66 1iyg h VAL 18 Ca -0.31 0.00 0.26 0.00 -1.01 0.00 0.00 66.70 65.64 1iyg h VAL 18 Cb 1.18 0.00 -0.15 0.00 -2.01 0.00 0.00 31.29 30.31 1iyg h VAL 18 CO 0.47 0.00 0.23 -0.08 -1.01 0.00 0.00 177.57 177.18 1iyg h GLU 19 N -0.00 0.16 0.14 4.17 4.81 -1.98 1.19 114.58 123.06 1iyg h GLU 19 Ca 0.38 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1iyg h GLU 19 Cb 0.63 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1iyg h GLU 19 CO -1.00 0.10 -0.07 -0.44 -0.73 0.00 0.00 179.01 176.88 1iyg h ASP 20 N 0.16 -0.16 -0.97 1.04 5.19 0.14 -2.70 116.42 119.13 1iyg h ASP 20 Ca 0.58 -0.12 0.31 0.00 -0.62 0.00 0.00 57.03 57.18 1iyg h ASP 20 Cb 1.22 0.04 -0.17 0.00 0.18 0.00 0.00 39.33 40.61 1iyg h ASP 20 CO -0.71 0.37 0.29 0.25 -3.12 0.00 0.00 179.24 176.32 1iyg h LEU 21 N -1.03 -0.02 -0.37 1.55 7.12 0.13 1.52 115.31 124.21 1iyg h LEU 21 Ca -0.02 0.24 -0.02 0.00 0.13 0.00 0.00 57.88 58.22 1iyg h LEU 21 Cb 0.27 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 1iyg h LEU 21 CO 0.03 -0.31 0.17 0.11 -0.13 0.00 0.00 178.44 178.32 1iyg h LYS 22 N 0.09 0.54 -0.68 1.25 1.79 0.13 1.43 116.57 121.12 1iyg h LYS 22 Ca 0.67 -0.09 0.10 0.00 -2.18 0.00 0.00 60.65 59.16 1iyg h LYS 22 Cb 1.54 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 32.02 1iyg h LYS 22 CO -0.78 0.50 0.30 -0.91 -1.08 0.00 0.00 179.45 177.48 1iyg h ASN 23 N 0.46 0.34 0.04 0.86 4.21 0.24 0.20 115.58 121.93 1iyg h ASN 23 Ca 0.13 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1iyg h ASN 23 Cb 0.14 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1iyg h ASN 23 CO -0.01 0.19 -0.02 -0.26 -1.29 0.00 0.00 177.43 176.03 1iyg h PHE 24 N 0.50 -0.05 -0.88 1.19 0.04 -0.45 -3.04 116.94 114.25 1iyg h PHE 24 Ca 0.35 -0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.37 1iyg h PHE 24 Cb 0.42 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 1iyg h PHE 24 CO -0.14 0.61 0.72 1.49 -0.60 0.00 0.00 178.31 180.38 1iyg h GLU 25 N -0.83 0.00 -0.06 1.51 4.81 0.23 0.37 114.58 120.61 1iyg h GLU 25 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1iyg h GLU 25 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1iyg h GLU 25 CO 0.01 0.00 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.02 1iyg h ARG 26 N 0.00 0.23 -0.09 1.92 2.43 -0.60 -1.79 114.38 116.48 1iyg h ARG 26 Ca 0.42 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1iyg h ARG 26 Cb 1.85 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1iyg h ARG 26 CO -0.00 0.79 0.05 -0.22 -1.51 0.00 0.00 179.97 179.08 1iyg h LYS 27 N -0.30 0.12 -0.17 0.20 3.64 -0.27 0.45 116.57 120.25 1iyg h LYS 27 Ca -0.01 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1iyg h LYS 27 Cb 0.81 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 1iyg h LYS 27 CO 0.04 0.13 -0.12 0.35 -2.27 0.00 0.00 179.45 177.58 1iyg h PHE 28 N 0.07 -0.30 0.81 1.91 3.57 -0.95 0.66 116.94 122.72 1iyg h PHE 28 Ca 0.03 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1iyg h PHE 28 Cb 0.04 0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1iyg h PHE 28 CO -0.06 -0.18 -0.39 1.96 -2.23 0.00 0.00 178.31 177.41 1iyg h GLN 29 N -0.12 -1.05 -0.18 1.11 4.20 -1.11 -1.70 115.11 116.25 1iyg h GLN 29 Ca 0.10 0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.93 1iyg h GLN 29 Cb 0.27 0.24 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 1iyg h GLN 29 CO -0.24 -0.69 -0.48 1.03 -0.67 0.00 0.00 178.83 177.78 1iyg h SER 30 N -1.23 -1.52 -1.10 1.46 0.87 0.04 0.27 113.55 112.34 1iyg h SER 30 Ca -0.11 0.20 0.31 0.00 -1.23 0.00 0.00 61.79 60.95 1iyg h SER 30 Cb 0.85 0.61 -0.10 0.00 -0.44 0.00 0.00 62.40 63.32 1iyg h SER 30 CO 0.18 -0.44 0.70 -0.33 -0.53 0.00 0.00 176.83 176.41 1iyg h GLU 31 N -0.51 0.31 0.83 2.24 4.39 0.31 0.79 114.58 122.95 1iyg h GLU 31 Ca 0.07 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1iyg h GLU 31 Cb 0.65 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1iyg h GLU 31 CO -0.45 0.21 -0.40 0.37 -1.16 0.00 0.00 179.01 177.58 1iyg h GLN 32 N 0.32 -1.07 0.00 2.33 4.15 0.46 -2.02 115.11 119.27 1iyg h GLN 32 Ca 0.65 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.15 1iyg h GLN 32 Cb 1.75 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.68 1iyg h GLN 32 CO -0.34 -0.71 0.00 0.00 -1.93 0.00 0.00 178.83 175.85 1iyg n ALA 33 N -2.65 1.50 -0.00 3.38 0.00 -0.11 -1.76 120.51 120.87 1iyg n ALA 33 Ca -0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1iyg n ALA 33 Cb 0.44 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1iyg n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyg h ALA 34 N 2.37 0.36 0.00 0.00 0.00 0.12 -3.47 119.26 118.63 1iyg h ALA 34 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1iyg h ALA 34 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1iyg h ALA 34 CO 0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1iyg n GLY 35 N 0.70 0.64 0.00 0.00 0.00 -0.72 -5.06 105.19 100.74 1iyg n GLY 35 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyg n SER 36 N 0.00 0.00 -4.74 1.61 3.41 -0.86 -4.99 113.62 108.05 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iyg s VAL 37 N -0.07 2.72 0.04 -3.33 1.01 -1.24 -4.61 120.40 114.91 1iyg s VAL 37 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1iyg s VAL 37 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1iyg s VAL 37 CO 0.00 0.08 0.57 -0.44 0.00 0.00 0.00 175.10 175.31 1iyg s SER 38 N 0.56 7.02 0.39 3.32 0.01 -1.26 -4.93 113.70 118.81 1iyg s SER 38 Ca 0.62 1.21 0.24 0.00 1.31 0.00 0.00 55.95 59.33 1iyg s SER 38 Cb -0.42 -2.36 1.36 0.00 0.21 0.00 0.00 66.02 64.82 1iyg s SER 38 CO 0.40 0.21 1.60 0.07 0.41 0.00 0.00 173.24 175.92 1iyg h LYS 39 N 4.99 0.06 0.00 12.44 -0.00 -1.98 0.26 116.57 132.33 1iyg h LYS 39 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1iyg h LYS 39 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 1iyg h LYS 39 CO 0.66 0.04 0.00 -1.13 -0.00 0.00 0.00 179.45 179.02 1iyg n SER 40 N -5.03 0.00 -0.21 7.07 3.41 -1.26 -0.73 113.62 116.88 1iyg n SER 40 Ca 0.38 0.98 0.09 0.00 -0.26 0.00 0.00 58.87 60.06 1iyg n SER 40 Cb 1.33 -0.48 0.37 0.00 -0.26 0.00 0.00 64.21 65.17 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iyg h THR 41 N 0.00 0.95 -0.13 6.66 2.02 -1.40 -2.06 112.91 118.95 1iyg h THR 41 Ca 0.00 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1iyg h THR 41 Cb 0.00 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 1iyg h THR 41 CO 0.00 0.13 -0.40 -0.61 0.37 0.00 0.00 175.52 175.01 1iyg h GLN 42 N 0.71 -0.39 -0.69 6.66 4.15 0.21 0.33 115.11 126.09 1iyg h GLN 42 Ca 0.36 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.84 1iyg h GLN 42 Cb 0.44 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1iyg h GLN 42 CO -0.13 -0.26 0.46 0.35 -1.93 0.00 0.00 178.83 177.31 1iyg h PHE 43 N -0.41 0.81 0.00 3.99 3.57 -0.55 -0.76 116.94 123.58 1iyg h PHE 43 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1iyg h PHE 43 Cb 0.49 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1iyg h PHE 43 CO -0.57 0.47 0.00 0.39 -2.23 0.00 0.00 178.31 176.37 1iyg n GLU 44 N -4.46 0.00 -0.28 1.11 1.02 -0.26 -0.28 120.64 117.49 1iyg n GLU 44 Ca 0.09 0.27 0.08 0.00 -0.02 0.00 0.00 57.16 57.58 1iyg n GLU 44 Cb 0.13 -1.25 0.20 0.00 -0.02 0.00 0.00 31.44 30.50 1iyg n GLU 44 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1iyg h TYR 45 N 0.00 0.03 0.04 -0.32 3.20 -0.42 0.69 116.97 120.18 1iyg h TYR 45 Ca 0.00 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1iyg h TYR 45 Cb 0.00 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1iyg h TYR 45 CO 0.08 -0.26 -0.35 0.00 -1.64 0.00 0.00 178.16 176.00 1iyg h ALA 46 N 1.77 -0.54 -0.49 1.82 0.00 -1.11 1.54 119.26 122.24 1iyg h ALA 46 Ca 0.47 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1iyg h ALA 46 Cb 0.88 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1iyg h ALA 46 CO -0.70 -0.88 0.33 2.35 0.00 0.00 0.00 179.25 180.35 1iyg h TRP 47 N -0.52 0.57 -0.53 0.00 -0.00 0.19 0.52 115.95 116.18 1iyg h TRP 47 Ca 0.05 0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.88 1iyg h TRP 47 Cb 0.59 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.54 1iyg h TRP 47 CO -0.35 0.34 0.05 0.00 -0.00 0.00 0.00 178.44 178.48 1iyg h LEU 49 N 0.78 -0.29 -1.00 0.00 3.38 0.41 0.13 115.31 118.72 1iyg h LEU 49 Ca 0.16 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.52 1iyg h LEU 49 Cb 0.46 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 1iyg h LEU 49 CO 0.02 -0.21 0.51 -0.37 0.09 0.00 0.00 178.44 178.47 1iyg h VAL 50 N -0.35 0.08 -0.63 1.22 -1.51 -1.12 1.99 116.25 115.92 1iyg h VAL 50 Ca -0.04 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1iyg h VAL 50 Cb 0.27 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.39 1iyg h VAL 50 CO 0.06 0.02 0.29 0.03 -1.23 0.00 0.00 177.57 176.73 1iyg h ARG 51 N 0.08 0.92 -5.53 5.19 3.08 -0.89 -3.43 114.38 113.80 1iyg h ARG 51 Ca 0.80 -0.14 -0.52 0.00 0.07 0.00 0.00 59.98 60.19 1iyg h ARG 51 Cb 2.02 -0.16 0.21 0.00 0.08 0.00 0.00 29.97 32.12 1iyg h ARG 51 CO -0.74 0.75 -1.56 0.45 -1.07 0.00 0.00 179.97 177.80 1iyg n SER 52 N -4.48 -5.03 0.12 7.04 2.88 0.67 -1.80 113.62 113.03 1iyg n SER 52 Ca 0.04 0.28 0.13 0.00 -1.33 0.00 0.00 58.87 57.98 1iyg n SER 52 Cb 0.14 -0.72 0.31 0.00 -0.75 0.00 0.00 64.21 63.19 1iyg n SER 52 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iyg h LYS 53 N -0.69 0.00 -6.49 -1.46 5.09 -1.82 -3.43 116.57 107.76 1iyg h LYS 53 Ca -0.40 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 59.81 1iyg h LYS 53 Cb 1.23 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.53 1iyg h LYS 53 CO 0.26 0.00 0.07 0.71 -2.09 0.00 0.00 179.45 178.40 1iyg s TYR 54 N -3.14 3.69 0.04 0.07 1.51 -1.26 -4.99 117.35 113.27 1iyg s TYR 54 Ca 0.09 1.35 -0.20 0.00 -1.01 0.00 0.00 57.07 57.30 1iyg s TYR 54 Cb 0.11 -2.58 -0.14 0.00 -0.11 0.00 0.00 41.96 39.23 1iyg s TYR 54 CO 0.64 0.40 1.35 -0.91 -1.11 0.00 0.00 175.55 175.91 1iyg h ASN 55 N 3.66 0.40 -0.99 2.29 4.21 -1.95 -3.16 115.58 120.03 1iyg h ASN 55 Ca -0.48 -0.48 0.21 0.00 1.21 0.00 0.00 56.30 56.75 1iyg h ASN 55 Cb 1.20 -0.11 -0.19 0.00 -1.12 0.00 0.00 38.32 38.10 1iyg h ASN 55 CO 0.65 0.80 -0.22 -0.62 -1.29 0.00 0.00 177.43 176.75 1iyg n GLU 56 N -4.54 -0.09 -0.09 0.81 -0.58 -1.26 0.13 120.64 115.02 1iyg n GLU 56 Ca -0.06 1.54 -0.06 0.00 -0.42 0.00 0.00 57.16 58.15 1iyg n GLU 56 Cb 0.37 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1iyg n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1iyg h ASP 57 N 0.00 -0.41 -0.94 1.62 5.19 -1.83 0.20 116.42 120.25 1iyg h ASP 57 Ca 0.49 0.11 0.16 0.00 -0.62 0.00 0.00 57.03 57.17 1iyg h ASP 57 Cb 0.78 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 40.44 1iyg h ASP 57 CO -1.01 -0.15 0.54 0.40 -3.12 0.00 0.00 179.24 175.90 1iyg h ILE 58 N -0.05 0.76 0.50 0.35 2.04 0.10 1.74 117.51 122.95 1iyg h ILE 58 Ca 0.16 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1iyg h ILE 58 Cb 0.30 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1iyg h ILE 58 CO -0.37 0.14 -0.24 -0.09 0.00 0.00 0.00 178.15 177.59 1iyg h ARG 59 N 0.76 -0.64 0.00 2.37 2.43 0.74 0.29 114.38 120.32 1iyg h ARG 59 Ca 0.51 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1iyg h ARG 59 Cb 0.71 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1iyg h ARG 59 CO -0.35 -0.36 0.00 2.89 -1.51 0.00 0.00 179.97 180.65 1iyg n ARG 60 N -5.31 0.77 -0.12 0.20 1.85 0.43 -3.12 116.66 111.36 1iyg n ARG 60 Ca -0.11 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.49 1iyg n ARG 60 Cb 0.31 -1.45 -0.11 0.00 -1.05 0.00 0.00 32.46 30.16 1iyg n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1iyg n GLY 61 N 0.51 -0.49 0.32 2.89 0.00 0.58 -4.28 105.19 104.72 1iyg n GLY 61 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1iyg n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iyg h ILE 62 N -0.66 0.41 -0.56 -0.61 2.04 -0.38 -0.88 117.51 116.86 1iyg h ILE 62 Ca -0.60 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.31 1iyg h ILE 62 Cb 1.68 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 1iyg h ILE 62 CO -0.27 0.00 -0.33 0.55 0.00 0.00 0.00 178.15 178.10 1iyg n VAL 63 N -5.42 -0.38 -0.09 1.67 3.14 -1.18 0.27 118.33 116.35 1iyg n VAL 63 Ca -0.11 1.72 -0.06 0.00 -2.96 0.00 0.00 64.34 62.94 1iyg n VAL 63 Cb 0.32 -2.17 -0.00 0.00 -1.06 0.00 0.00 33.84 30.93 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1iyg h LEU 64 N 0.00 -0.38 -0.73 6.55 3.38 -1.70 0.81 115.31 123.24 1iyg h LEU 64 Ca 0.09 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1iyg h LEU 64 Cb 0.23 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1iyg h LEU 64 CO -0.53 -0.14 0.38 -0.07 0.09 0.00 0.00 178.44 178.17 1iyg h LEU 65 N -0.04 0.50 -0.47 1.67 4.07 0.23 0.60 115.31 121.86 1iyg h LEU 65 Ca 0.16 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1iyg h LEU 65 Cb 0.28 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1iyg h LEU 65 CO -0.35 0.28 0.00 -0.33 -1.08 0.00 0.00 178.44 176.96 1iyg h GLU 66 N 0.63 0.00 0.00 1.13 5.08 0.59 -1.40 114.58 120.61 1iyg h GLU 66 Ca 0.36 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1iyg h GLU 66 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1iyg h GLU 66 CO -0.27 0.00 -1.17 0.93 -1.00 0.00 0.00 179.01 177.49 1iyg h GLU 67 N 0.00 0.00 0.00 2.33 5.08 0.58 -3.28 114.58 119.29 1iyg h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iyg h GLU 67 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iyg h GLU 67 CO 0.00 0.57 -0.88 1.28 -1.00 0.00 0.00 179.01 178.98 1iyg n LEU 68 N -3.12 0.70 0.23 1.33 4.77 0.44 -3.36 117.00 118.00 1iyg n LEU 68 Ca -0.06 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1iyg n LEU 68 Cb 0.89 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1iyg n LEU 68 CO 0.44 -0.07 0.52 -0.07 -1.33 0.00 0.00 177.39 176.88 1iyg h LEU 69 N 0.00 -1.32 -0.71 2.23 -0.00 -1.32 0.52 115.31 114.72 1iyg h LEU 69 Ca 0.00 0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1iyg h LEU 69 Cb 0.82 0.45 -0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1iyg h LEU 69 CO 0.00 -0.59 -0.12 1.55 -0.00 0.00 0.00 178.44 179.28 1iyg h PRO 70 N -0.87 0.00 -0.67 1.13 0.13 -1.73 -2.66 132.00 127.33 1iyg h PRO 70 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1iyg h PRO 70 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1iyg h PRO 70 CO -0.11 0.12 0.00 1.63 -0.23 0.00 0.00 178.00 179.41 1iyg n LYS 71 N -3.18 3.10 -3.37 0.86 5.02 -0.89 -4.90 118.16 114.80 1iyg n LYS 71 Ca 0.02 -1.90 -0.19 0.00 -2.02 0.00 0.00 58.31 54.22 1iyg n LYS 71 Cb 0.46 -1.82 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 1iyg n LYS 71 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iyg s GLY 72 N -0.62 1.84 0.00 0.72 0.00 0.18 -4.91 107.32 104.53 1iyg s GLY 72 Ca 0.33 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1iyg s GLY 72 CO 0.13 -1.50 0.00 -1.26 0.00 0.00 0.00 173.10 170.47 1iyg n SER 73 N -1.66 0.00 0.00 1.64 2.88 -1.26 -4.97 113.62 110.25 1iyg n SER 73 Ca 0.03 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1iyg n SER 73 Cb 0.59 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iyg n LYS 74 N -1.57 0.00 0.19 -1.46 4.76 -1.26 -4.88 118.16 113.93 1iyg n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1iyg n LYS 74 Cb 0.00 0.00 0.66 0.00 -1.84 0.00 0.00 35.03 33.85 1iyg n LYS 74 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1iyg h GLU 75 N 0.00 0.00 -0.14 1.97 4.11 -2.01 0.71 114.58 119.22 1iyg h GLU 75 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1iyg h GLU 75 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1iyg h GLU 75 CO 0.00 0.00 -0.43 0.93 0.07 0.00 0.00 179.01 179.58 1iyg h GLU 76 N 0.00 0.32 0.00 1.06 4.39 -1.96 -2.47 114.58 115.92 1iyg h GLU 76 Ca 0.00 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1iyg h GLU 76 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1iyg h GLU 76 CO 0.00 0.70 -0.11 1.96 -1.16 0.00 0.00 179.01 180.40 1iyg h GLN 77 N 0.27 0.00 -0.45 2.33 4.20 -1.17 -2.85 115.11 117.45 1iyg h GLN 77 Ca 0.02 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1iyg h GLN 77 Cb 0.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1iyg h GLN 77 CO 0.07 0.11 -0.27 0.00 -0.67 0.00 0.00 178.83 178.07 1iyg h ARG 78 N 0.00 0.97 0.00 1.46 -0.00 -1.44 -0.45 114.38 114.92 1iyg h ARG 78 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 1iyg h ARG 78 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.80 1iyg h ARG 78 CO 0.01 1.11 0.00 0.22 0.00 0.00 0.00 179.97 181.32 1iyg h ASP 79 N 0.82 0.00 0.00 7.04 3.58 -1.45 -3.16 116.42 123.25 1iyg h ASP 79 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1iyg h ASP 79 Cb 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1iyg h ASP 79 CO 0.08 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.22 1iyg n TYR 80 N -2.38 0.00 -0.35 0.28 4.01 -0.93 -3.89 117.16 113.90 1iyg n TYR 80 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1iyg n TYR 80 Cb 0.42 -0.35 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1iyg n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 81 N -1.75 -0.46 -0.32 -0.72 0.31 -0.22 0.19 118.33 115.36 1iyg n VAL 81 Ca 0.00 2.15 0.27 0.00 -0.01 0.00 0.00 64.34 66.75 1iyg n VAL 81 Cb 0.00 -2.87 0.50 0.00 -0.91 0.00 0.00 33.84 30.56 1iyg n VAL 81 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1iyg n PHE 82 N -5.39 1.00 -0.07 3.52 7.35 -1.19 -0.19 117.46 122.48 1iyg n PHE 82 Ca 0.11 1.15 -0.14 0.00 -0.76 0.00 0.00 57.45 57.80 1iyg n PHE 82 Cb 0.39 -1.46 -0.13 0.00 0.35 0.00 0.00 39.48 38.63 1iyg n PHE 82 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1iyg h TYR 83 N 0.00 0.00 -1.07 -5.13 0.05 0.19 -2.98 116.97 108.03 1iyg h TYR 83 Ca 0.76 0.00 0.40 0.00 0.05 0.00 0.00 58.73 59.95 1iyg h TYR 83 Cb 1.93 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.51 1iyg h TYR 83 CO -0.13 1.02 0.61 -0.07 -1.05 0.00 0.00 178.16 178.54 1iyg h LEU 84 N -1.00 0.35 -0.07 3.88 4.07 0.12 1.49 115.31 124.15 1iyg h LEU 84 Ca -0.02 0.22 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 1iyg h LEU 84 Cb 1.01 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1iyg h LEU 84 CO -0.01 -0.32 -0.23 0.00 -1.08 0.00 0.00 178.44 176.80 1iyg h ALA 85 N 1.88 0.12 -0.30 1.53 0.00 -1.01 0.25 119.26 121.74 1iyg h ALA 85 Ca 0.82 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1iyg h ALA 85 Cb 2.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.92 1iyg h ALA 85 CO -0.66 0.10 -0.09 0.28 0.00 0.00 0.00 179.25 178.88 1iyg h VAL 86 N -0.22 0.66 -0.42 0.00 2.07 0.19 1.60 116.25 120.14 1iyg h VAL 86 Ca -0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 1iyg h VAL 86 Cb 0.85 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1iyg h VAL 86 CO 0.05 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.65 1iyg h GLY 87 N -0.02 0.97 0.88 2.17 0.00 -0.02 -2.54 103.07 104.50 1iyg h GLY 87 Ca 0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1iyg h GLY 87 CO -0.32 0.80 0.01 3.43 0.00 0.00 0.00 176.54 180.46 1iyg h ASN 88 N 0.71 0.02 -0.72 0.19 2.35 0.34 -2.77 115.58 115.70 1iyg h ASN 88 Ca 0.09 -0.13 0.14 0.00 -0.55 0.00 0.00 56.30 55.86 1iyg h ASN 88 Cb 0.79 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.06 1iyg h ASN 88 CO 0.07 0.14 0.25 0.22 -1.65 0.00 0.00 177.43 176.46 1iyg h TYR 89 N -0.10 0.42 -0.85 1.19 3.20 0.23 0.37 116.97 121.43 1iyg h TYR 89 Ca 0.01 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.13 1iyg h TYR 89 Cb 0.13 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1iyg h TYR 89 CO -0.03 0.02 0.58 -0.09 -1.64 0.00 0.00 178.16 177.00 1iyg h ARG 90 N 0.38 0.23 -0.82 1.82 1.12 -1.17 1.33 114.38 117.27 1iyg h ARG 90 Ca 0.40 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 59.13 1iyg h ARG 90 Cb 0.62 -0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 30.45 1iyg h ARG 90 CO -0.42 0.15 0.16 1.28 -3.11 0.00 0.00 179.97 178.03 1iyg n LEU 91 N -4.42 4.68 -1.52 3.80 4.77 0.11 -4.84 117.00 119.59 1iyg n LEU 91 Ca 0.18 -2.42 -0.14 0.00 -0.03 0.00 0.00 56.01 53.61 1iyg n LEU 91 Cb 0.76 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1iyg n LEU 91 CO 0.34 0.64 -0.13 2.29 -1.33 0.00 0.00 177.39 179.19 1iyg n LYS 92 N 0.05 -1.40 -1.38 3.23 2.85 0.45 -4.78 118.16 117.19 1iyg n LYS 92 Ca 0.27 0.79 -0.29 0.00 -1.05 0.00 0.00 58.31 58.02 1iyg n LYS 92 Cb 1.04 -5.08 -0.07 0.00 -0.65 0.00 0.00 35.03 30.26 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1iyg n GLU 93 N -2.01 3.14 -0.05 -1.58 -0.58 -0.16 -4.64 120.64 114.76 1iyg n GLU 93 Ca -0.14 -2.10 -0.08 0.00 -0.42 0.00 0.00 57.16 54.42 1iyg n GLU 93 Cb 0.47 -2.41 -0.02 0.00 -0.57 0.00 0.00 31.44 28.91 1iyg n GLU 93 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1iyg h TYR 94 N 3.98 -0.32 -0.96 -0.32 0.05 -1.86 0.68 116.97 118.22 1iyg h TYR 94 Ca 0.55 0.03 0.23 0.00 0.05 0.00 0.00 58.73 59.59 1iyg h TYR 94 Cb 0.74 0.18 -0.18 0.00 1.01 0.00 0.00 36.73 38.47 1iyg h TYR 94 CO 1.73 -0.20 -0.09 0.93 -1.05 0.00 0.00 178.16 179.49 1iyg h GLU 95 N -0.11 0.01 0.06 4.88 5.08 -1.98 0.63 114.58 123.15 1iyg h GLU 95 Ca 0.13 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1iyg h GLU 95 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1iyg h GLU 95 CO -0.30 0.01 -0.03 0.87 -1.00 0.00 0.00 179.01 178.56 1iyg h LYS 96 N 0.01 -0.08 -0.69 2.33 6.56 -1.70 -2.61 116.57 120.39 1iyg h LYS 96 Ca 0.53 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 60.19 1iyg h LYS 96 Cb 0.97 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 32.57 1iyg h LYS 96 CO -0.93 0.36 -0.41 0.00 -2.06 0.00 0.00 179.45 176.41 1iyg n ALA 97 N -2.67 -0.44 0.22 3.86 0.00 0.23 0.04 120.51 121.75 1iyg n ALA 97 Ca -0.05 0.58 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 1iyg n ALA 97 Cb 0.23 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 1iyg n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iyg h LEU 98 N 0.00 -1.44 -1.87 0.00 -0.00 0.06 1.58 115.31 113.64 1iyg h LEU 98 Ca 0.11 0.13 0.54 0.00 -0.00 0.00 0.00 57.88 58.66 1iyg h LEU 98 Cb 0.28 0.50 -0.07 0.00 -0.00 0.00 0.00 40.66 41.36 1iyg h LEU 98 CO -0.65 -0.61 1.39 1.17 -0.00 0.00 0.00 178.44 179.74 1iyg n LYS 99 N -5.43 0.00 -0.04 1.13 4.81 0.19 0.30 118.16 119.12 1iyg n LYS 99 Ca -0.10 1.06 -0.18 0.00 -0.87 0.00 0.00 58.31 58.22 1iyg n LYS 99 Cb 0.43 -2.47 -0.14 0.00 0.02 0.00 0.00 35.03 32.88 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1iyg n TYR 100 N -3.82 0.77 0.27 5.64 4.01 0.11 -3.23 117.16 120.91 1iyg n TYR 100 Ca 0.42 0.18 0.16 0.00 -0.16 0.00 0.00 57.90 58.50 1iyg n TYR 100 Cb 1.95 -1.11 0.55 0.00 -0.31 0.00 0.00 39.34 40.42 1iyg n TYR 100 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg h VAL 101 N 0.04 0.00 0.00 -0.72 2.07 1.40 -1.29 116.25 117.74 1iyg h VAL 101 Ca -0.46 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1iyg h VAL 101 Cb 2.01 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1iyg h VAL 101 CO 0.03 0.00 -0.09 0.03 0.02 0.00 0.00 177.57 177.57 1iyg h ARG 102 N 0.00 0.00 0.00 1.57 2.47 0.45 -2.66 114.38 116.21 1iyg h ARG 102 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1iyg h ARG 102 Cb 0.63 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1iyg h ARG 102 CO 0.00 0.37 -0.07 0.78 0.56 0.00 0.00 179.97 181.61 1iyg h GLY 103 N -1.00 0.00 1.65 0.04 0.00 -1.57 -0.32 103.07 101.88 1iyg h GLY 103 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1iyg h GLY 103 CO -0.01 0.00 -0.85 -2.00 0.00 0.00 0.00 176.54 173.69 1iyg h LEU 104 N 0.00 0.41 -0.63 3.11 7.12 -1.34 -3.08 115.31 120.89 1iyg h LEU 104 Ca -0.00 -0.31 -0.15 0.00 0.13 0.00 0.00 57.88 57.55 1iyg h LEU 104 Cb 0.13 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1iyg h LEU 104 CO 0.01 1.08 -0.59 -0.07 -0.13 0.00 0.00 178.44 178.74 1iyg h LEU 105 N 0.20 0.35 -1.33 2.25 3.38 -0.79 0.48 115.31 119.83 1iyg h LEU 105 Ca -0.05 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 57.87 1iyg h LEU 105 Cb 1.46 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1iyg h LEU 105 CO 0.14 0.86 0.56 -0.61 0.09 0.00 0.00 178.44 179.48 1iyg h GLN 106 N 0.23 0.64 0.00 1.13 4.15 -1.03 0.43 115.11 120.66 1iyg h GLN 106 Ca -0.00 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 1iyg h GLN 106 Cb 1.10 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1iyg h GLN 106 CO 0.10 0.42 -2.08 -2.37 -1.93 0.00 0.00 178.83 172.97 1iyg n THR 107 N -4.55 0.56 -3.51 2.39 5.66 -1.11 -4.63 114.28 109.09 1iyg n THR 107 Ca 0.17 -0.64 -0.27 0.00 -3.05 0.00 0.00 64.05 60.26 1iyg n THR 107 Cb 0.47 -0.21 -0.09 0.00 -1.55 0.00 0.00 70.33 68.95 1iyg n THR 107 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iyg n GLU 108 N -2.47 1.64 0.02 1.09 -0.58 0.17 -4.90 120.64 115.60 1iyg n GLU 108 Ca -0.14 -4.13 -0.19 0.00 -0.42 0.00 0.00 57.16 52.28 1iyg n GLU 108 Cb 0.79 -1.98 -0.09 0.00 -0.57 0.00 0.00 31.44 29.58 1iyg n GLU 108 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1iyg h PRO 109 N 4.71 0.73 -0.04 3.49 0.13 -1.20 -3.16 132.00 136.67 1iyg h PRO 109 Ca 0.17 -0.72 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 1iyg h PRO 109 Cb 0.76 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1iyg h PRO 109 CO 0.66 1.30 -0.18 -0.56 -0.23 0.00 0.00 178.00 178.99 1iyg h GLN 110 N 0.45 0.06 -6.01 0.86 3.07 -1.90 -3.42 115.11 108.20 1iyg h GLN 110 Ca -0.10 -0.01 -0.68 0.00 0.09 0.00 0.00 58.65 57.95 1iyg h GLN 110 Cb 1.59 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 29.13 1iyg h GLN 110 CO 0.19 0.24 1.36 -1.71 0.09 0.00 0.00 178.83 179.01 1iyg n ASN 111 N -4.29 2.19 0.05 0.06 2.85 -1.19 -4.82 115.26 110.10 1iyg n ASN 111 Ca -0.02 0.49 -0.12 0.00 -0.11 0.00 0.00 54.58 54.83 1iyg n ASN 111 Cb 0.26 -1.25 -0.08 0.00 1.24 0.00 0.00 39.78 39.95 1iyg n ASN 111 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1iyg h ASN 112 N 11.78 -0.17 -0.99 1.20 2.35 -1.89 -2.90 115.58 124.97 1iyg h ASN 112 Ca -0.29 -0.37 0.22 0.00 -0.55 0.00 0.00 56.30 55.30 1iyg h ASN 112 Cb 1.32 0.04 -0.19 0.00 0.05 0.00 0.00 38.32 39.55 1iyg h ASN 112 CO 1.01 0.35 -0.18 0.00 -1.65 0.00 0.00 177.43 176.96 1iyg n GLN 113 N -4.94 -0.09 -0.16 0.81 6.02 -1.26 0.18 117.38 117.95 1iyg n GLN 113 Ca -0.08 1.53 -0.07 0.00 -0.01 0.00 0.00 57.00 58.37 1iyg n GLN 113 Cb 0.27 -2.32 0.02 0.00 1.02 0.00 0.00 30.24 29.23 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iyg h ALA 114 N 1.98 0.60 0.46 -1.58 0.00 -1.91 -0.73 119.26 118.08 1iyg h ALA 114 Ca 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1iyg h ALA 114 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1iyg h ALA 114 CO -1.00 0.01 -0.45 0.87 0.00 0.00 0.00 179.25 178.69 1iyg h LYS 115 N 0.60 -0.86 -0.25 0.00 1.57 0.22 -1.27 116.57 116.57 1iyg h LYS 115 Ca 0.18 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1iyg h LYS 115 Cb -0.03 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1iyg h LYS 115 CO -0.06 -0.58 -0.35 0.93 -0.57 0.00 0.00 179.45 178.82 1iyg h GLU 116 N -0.90 -0.24 -0.89 3.15 4.39 -0.50 -1.34 114.58 118.25 1iyg h GLU 116 Ca -0.06 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1iyg h GLU 116 Cb 0.77 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.37 1iyg h GLU 116 CO -0.05 -0.16 -0.50 -0.11 -1.16 0.00 0.00 179.01 177.03 1iyg n LEU 117 N -4.36 -0.89 -0.32 1.33 0.00 -0.30 0.15 117.00 112.61 1iyg n LEU 117 Ca -0.02 1.58 0.10 0.00 0.00 0.00 0.00 56.01 57.67 1iyg n LEU 117 Cb 0.21 -0.23 0.21 0.00 0.00 0.00 0.00 43.42 43.62 1iyg n LEU 117 CO 0.00 -1.30 0.69 1.21 0.00 0.00 0.00 177.39 177.98 1iyg n GLU 118 N -5.14 -0.08 -0.05 1.96 2.13 -0.49 0.11 120.64 119.08 1iyg n GLU 118 Ca 0.03 1.41 -0.14 0.00 0.66 0.00 0.00 57.16 59.11 1iyg n GLU 118 Cb 0.25 -2.18 -0.08 0.00 0.27 0.00 0.00 31.44 29.71 1iyg n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg h ARG 119 N 0.00 0.42 -0.05 5.31 -0.00 0.18 -1.75 114.38 118.50 1iyg h ARG 119 Ca 0.51 -0.27 0.02 0.00 -0.50 0.00 0.00 59.98 59.74 1iyg h ARG 119 Cb 0.96 0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.92 1iyg h ARG 119 CO -0.90 0.87 -0.47 -0.07 0.00 0.00 0.00 179.97 179.41 1iyg h LEU 120 N 0.02 -1.46 -1.30 3.04 3.38 0.49 0.34 115.31 119.82 1iyg h LEU 120 Ca 0.00 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1iyg h LEU 120 Cb 0.86 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 1iyg h LEU 120 CO 0.06 -0.44 0.54 0.40 0.09 0.00 0.00 178.44 179.09 1iyg h ILE 121 N -0.55 0.95 -0.38 1.22 2.04 -0.47 0.25 117.51 120.57 1iyg h ILE 121 Ca 0.02 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1iyg h ILE 121 Cb 0.61 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1iyg h ILE 121 CO -0.34 0.14 0.09 -0.78 0.00 0.00 0.00 178.15 177.26 1iyg h ASP 122 N 0.78 0.04 -0.33 1.72 3.58 0.12 -0.99 116.42 121.34 1iyg h ASP 122 Ca 0.39 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.79 1iyg h ASP 122 Cb 0.45 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1iyg h ASP 122 CO -0.15 0.06 -0.20 0.11 -2.88 0.00 0.00 179.24 176.18 1iyg h LYS 123 N 0.22 0.71 -0.54 0.28 1.57 0.12 -3.18 116.57 115.75 1iyg h LYS 123 Ca 0.18 -0.33 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1iyg h LYS 123 Cb 0.20 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 1iyg h LYS 123 CO -0.23 0.93 -0.55 0.00 -0.57 0.00 0.00 179.45 179.04 1iyg h ALA 124 N 0.76 -0.67 -0.67 3.86 0.00 0.26 0.50 119.26 123.30 1iyg h ALA 124 Ca 0.07 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1iyg h ALA 124 Cb 0.74 1.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 1iyg h ALA 124 CO 0.06 -1.01 -0.42 0.52 0.00 0.00 0.00 179.25 178.40 1iyg h MET 125 N -0.30 -0.17 -0.36 0.00 2.86 -1.21 0.57 114.93 116.33 1iyg h MET 125 Ca 0.10 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 1iyg h MET 125 Cb 0.56 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1iyg h MET 125 CO -0.67 -0.11 0.07 -0.22 1.06 0.00 0.00 176.91 177.03 1iyg h LYS 126 N -0.17 0.18 0.26 1.72 3.64 -1.07 -2.49 116.57 118.65 1iyg h LYS 126 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1iyg h LYS 126 Cb 0.56 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1iyg h LYS 126 CO -0.75 0.12 -0.51 0.87 -2.27 0.00 0.00 179.45 176.92 1iyg h LYS 127 N 0.19 -0.81 -2.30 1.90 1.57 0.30 -3.43 116.57 114.00 1iyg h LYS 127 Ca 0.17 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1iyg h LYS 127 Cb 0.20 0.18 -0.24 0.00 0.08 0.00 0.00 32.23 32.46 1iyg h LYS 127 CO -0.23 -0.54 -0.24 0.45 -0.57 0.00 0.00 179.45 178.32 1iyg s SER 128 N -4.56 -0.67 0.17 0.86 0.15 0.17 -5.09 113.70 104.73 1iyg s SER 128 Ca -0.17 1.24 -0.00 0.00 0.70 0.00 0.00 55.95 57.72 1iyg s SER 128 Cb 0.06 1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.94 1iyg s SER 128 CO 0.61 -0.22 0.06 -0.83 1.20 0.00 0.00 173.24 174.06 1iyg s GLY 129 N 2.46 1.20 0.02 9.45 0.00 -1.05 -4.22 107.32 115.18 1iyg s GLY 129 Ca -0.05 -1.58 -0.19 0.00 0.00 0.00 0.00 44.72 42.90 1iyg s GLY 129 CO -0.16 -1.43 1.15 -0.56 0.00 0.00 0.00 173.10 172.10 1iyg h PRO 130 N 2.73 0.45 -1.36 2.90 0.13 -1.94 -3.50 132.00 131.41 1iyg h PRO 130 Ca -0.36 -0.44 0.10 0.00 -0.87 0.00 0.00 66.00 64.43 1iyg h PRO 130 Cb 1.21 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1iyg h PRO 130 CO 0.59 1.09 -0.46 0.45 -0.23 0.00 0.00 178.00 179.44 1iyg n SER 131 N -4.22 -3.05 -4.30 1.44 2.88 -1.26 -4.79 113.62 100.33 1iyg n SER 131 Ca -0.10 0.60 -0.45 0.00 -1.33 0.00 0.00 58.87 57.60 1iyg n SER 131 Cb 0.65 -1.77 -0.06 0.00 -0.75 0.00 0.00 64.21 62.28 1iyg n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1iyg s SER 132 N -4.94 6.07 0.00 -3.46 0.15 -1.26 -5.32 113.70 104.93 1iyg s SER 132 Ca 0.00 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1iyg s SER 132 Cb 0.00 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1iyg s SER 132 CO 0.00 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.27