#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyg s SER 2 N 0.00 -0.42 0.05 1.61 1.04 -1.26 -5.06 113.70 109.67 1iyg s SER 2 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1iyg s SER 2 Cb 0.00 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.19 1iyg s SER 2 CO 0.00 -0.11 0.00 -0.24 0.98 0.00 0.00 173.24 173.87 1iyg n SER 3 N 3.26 -0.49 -0.33 7.02 2.88 -1.26 -4.99 113.62 119.71 1iyg n SER 3 Ca -0.17 0.32 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1iyg n SER 3 Cb 0.57 0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 64.73 1iyg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 4 N -1.10 -2.33 3.56 0.46 0.00 -1.26 -3.32 105.19 101.20 1iyg n GLY 4 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1iyg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iyg s SER 5 N -5.26 5.16 -0.64 1.61 0.01 -1.26 -3.52 113.70 109.80 1iyg s SER 5 Ca 0.00 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1iyg s SER 5 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1iyg s SER 5 CO 0.00 -2.62 0.60 -1.20 0.41 0.00 0.00 173.24 170.43 1iyg n SER 6 N 13.60 -6.71 0.00 2.44 7.64 -1.26 -5.05 113.62 124.28 1iyg n SER 6 Ca 0.32 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1iyg n SER 6 Cb 0.49 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 7 N -1.60 0.48 0.23 0.23 0.00 -1.21 -4.92 105.19 98.41 1iyg n GLY 7 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 0.52 0.13 1.61 1.56 -1.26 -3.89 117.12 115.78 1iyg n MET 8 Ca 0.00 0.21 0.09 0.00 -0.27 0.00 0.00 57.70 57.73 1iyg n MET 8 Cb 0.00 -1.37 0.48 0.00 2.15 0.00 0.00 33.22 34.48 1iyg n MET 8 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1iyg n GLU 9 N -3.91 0.12 0.02 2.12 2.13 -1.26 -1.29 120.64 118.58 1iyg n GLU 9 Ca -0.46 0.56 -0.22 0.00 0.66 0.00 0.00 57.16 57.70 1iyg n GLU 9 Cb 0.85 -1.86 -0.14 0.00 0.27 0.00 0.00 31.44 30.56 1iyg n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg h ALA 10 N 2.07 0.32 -0.29 4.31 0.00 -1.89 -2.76 119.26 121.01 1iyg h ALA 10 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 54.91 53.65 1iyg h ALA 10 Cb 0.08 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1iyg h ALA 10 CO 0.00 1.16 0.14 0.28 0.00 0.00 0.00 179.25 180.83 1iyg h VAL 11 N 0.01 0.99 -0.25 0.00 2.07 -1.30 1.38 116.25 119.14 1iyg h VAL 11 Ca -0.39 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 1iyg h VAL 11 Cb 2.00 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1iyg h VAL 11 CO 0.10 0.06 -0.31 -0.07 0.02 0.00 0.00 177.57 177.37 1iyg h LEU 12 N 0.30 0.54 0.46 2.57 3.38 -1.56 -3.24 115.31 117.75 1iyg h LEU 12 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iyg h LEU 12 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1iyg h LEU 12 CO -0.09 0.82 -0.22 0.78 0.09 0.00 0.00 178.44 179.82 1iyg h ASN 13 N 0.45 -0.52 -2.58 -0.43 2.35 -1.00 -3.45 115.58 110.40 1iyg h ASN 13 Ca 0.06 0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.28 1iyg h ASN 13 Cb 0.76 0.13 0.22 0.00 0.05 0.00 0.00 38.32 39.49 1iyg h ASN 13 CO 0.06 -0.23 -1.27 -0.62 -1.65 0.00 0.00 177.43 173.72 1iyg n GLU 14 N -4.44 -0.08 -4.57 0.81 4.71 0.46 -5.01 120.64 112.53 1iyg n GLU 14 Ca -0.08 -0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.80 1iyg n GLU 14 Cb 0.24 -1.36 -0.09 0.00 -1.01 0.00 0.00 31.44 29.22 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1iyg s LEU 15 N 4.06 2.27 0.13 -4.62 1.43 -1.26 -4.91 118.68 115.78 1iyg s LEU 15 Ca 0.49 -1.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1iyg s LEU 15 Cb -0.22 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1iyg s LEU 15 CO 0.75 -0.73 0.24 0.54 0.23 0.00 0.00 176.35 177.38 1iyg s VAL 16 N -3.08 5.22 -0.23 -1.59 0.11 -0.33 -4.92 120.40 115.59 1iyg s VAL 16 Ca 0.25 -0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 58.50 1iyg s VAL 16 Cb 0.05 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1iyg s VAL 16 CO 0.13 -0.03 0.31 -0.44 -3.33 0.00 0.00 175.10 171.73 1iyg s SER 17 N -3.02 6.29 0.23 3.54 0.01 -1.26 -4.80 113.70 114.68 1iyg s SER 17 Ca 0.34 0.33 -0.14 0.00 1.31 0.00 0.00 55.95 57.79 1iyg s SER 17 Cb -0.11 -2.18 0.28 0.00 0.21 0.00 0.00 66.02 64.21 1iyg s SER 17 CO 0.28 -0.05 1.59 1.62 0.41 0.00 0.00 173.24 177.09 1iyg h VAL 18 N 5.10 0.18 -0.31 3.43 3.04 -1.98 0.24 116.25 125.95 1iyg h VAL 18 Ca -0.36 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1iyg h VAL 18 Cb 1.17 0.18 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 1iyg h VAL 18 CO 0.68 0.00 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.73 1iyg h GLU 19 N -0.04 -0.31 -0.24 4.17 4.22 -1.98 0.67 114.58 121.08 1iyg h GLU 19 Ca 0.35 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.87 1iyg h GLU 19 Cb 0.58 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1iyg h GLU 19 CO -0.81 -0.20 -0.20 -0.44 -2.18 0.00 0.00 179.01 175.18 1iyg h ASP 20 N -0.32 -0.64 -0.82 1.04 3.32 -1.47 0.73 116.42 118.26 1iyg h ASP 20 Ca 0.05 0.12 0.19 0.00 0.02 0.00 0.00 57.03 57.42 1iyg h ASP 20 Cb 0.47 0.31 -0.12 0.00 0.22 0.00 0.00 39.33 40.21 1iyg h ASP 20 CO -0.46 -0.24 0.26 0.25 -1.72 0.00 0.00 179.24 177.34 1iyg h LEU 21 N -0.20 0.12 -0.37 1.55 5.85 0.70 0.97 115.31 123.92 1iyg h LEU 21 Ca 0.13 0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 1iyg h LEU 21 Cb 0.41 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1iyg h LEU 21 CO -0.35 -0.04 -0.21 0.11 -0.34 0.00 0.00 178.44 177.60 1iyg h LYS 22 N 0.31 0.80 0.00 1.25 1.79 0.25 1.57 116.57 122.54 1iyg h LYS 22 Ca 0.49 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1iyg h LYS 22 Cb 0.89 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1iyg h LYS 22 CO -0.54 0.99 -0.08 -0.97 -1.08 0.00 0.00 179.45 177.77 1iyg h ASN 23 N 0.60 0.00 0.23 0.86 -1.24 0.47 0.43 115.58 116.93 1iyg h ASN 23 Ca 0.08 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.75 1iyg h ASN 23 Cb 0.77 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.78 1iyg h ASN 23 CO 0.06 0.08 -1.99 0.49 -1.29 0.00 0.00 177.43 174.78 1iyg n PHE 24 N -4.15 0.87 -0.07 0.67 3.01 0.29 -3.40 117.46 114.67 1iyg n PHE 24 Ca -0.03 0.24 -0.12 0.00 1.01 0.00 0.00 57.45 58.55 1iyg n PHE 24 Cb 0.16 -1.13 -0.05 0.00 -0.01 0.00 0.00 39.48 38.45 1iyg n PHE 24 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1iyg h GLU 25 N 0.03 0.44 0.09 -1.08 4.81 0.28 -1.48 114.58 117.66 1iyg h GLU 25 Ca -0.41 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1iyg h GLU 25 Cb 2.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1iyg h GLU 25 CO 0.06 0.70 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.91 1iyg h ARG 26 N 0.15 -0.11 -0.56 1.92 2.43 -0.34 0.37 114.38 118.23 1iyg h ARG 26 Ca 0.05 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1iyg h ARG 26 Cb 0.56 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 1iyg h ARG 26 CO 0.03 -0.02 0.17 -0.22 -1.51 0.00 0.00 179.97 178.42 1iyg h LYS 27 N -0.19 0.31 0.31 0.20 1.63 -1.57 1.43 116.57 118.71 1iyg h LYS 27 Ca -0.01 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1iyg h LYS 27 Cb 0.15 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1iyg h LYS 27 CO 0.02 0.21 -0.15 0.35 -3.45 0.00 0.00 179.45 176.43 1iyg h PHE 28 N 0.32 -0.39 -0.55 1.91 3.57 -0.94 -0.41 116.94 120.46 1iyg h PHE 28 Ca 0.28 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.88 1iyg h PHE 28 Cb 0.37 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.14 1iyg h PHE 28 CO -0.20 -0.24 -0.00 1.96 -2.23 0.00 0.00 178.31 177.60 1iyg h GLN 29 N -0.49 0.11 -0.92 1.11 4.20 -0.14 1.67 115.11 120.65 1iyg h GLN 29 Ca -0.04 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.79 1iyg h GLN 29 Cb 0.32 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.99 1iyg h GLN 29 CO 0.07 0.07 0.54 1.03 -0.67 0.00 0.00 178.83 179.88 1iyg h SER 30 N 0.12 0.76 1.58 1.46 0.87 0.19 0.42 113.55 118.96 1iyg h SER 30 Ca 0.28 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1iyg h SER 30 Cb 0.43 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1iyg h SER 30 CO -0.46 0.38 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.64 1iyg h GLU 31 N 0.84 0.00 0.19 2.24 4.39 0.11 -2.85 114.58 119.49 1iyg h GLU 31 Ca 0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1iyg h GLU 31 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1iyg h GLU 31 CO -0.29 0.00 -0.09 0.37 -1.16 0.00 0.00 179.01 177.84 1iyg h GLN 32 N 0.00 -0.24 0.00 2.33 4.15 0.59 -2.30 115.11 119.63 1iyg h GLN 32 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1iyg h GLN 32 Cb 0.92 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1iyg h GLN 32 CO 0.00 -0.16 0.00 0.00 -1.93 0.00 0.00 178.83 176.74 1iyg n ALA 33 N -2.66 1.36 0.23 3.38 0.00 0.11 -1.05 120.51 121.88 1iyg n ALA 33 Ca -0.03 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1iyg n ALA 33 Cb 0.10 -1.25 0.53 0.00 0.00 0.00 0.00 19.45 18.83 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 2.19 1.14 0.00 0.00 0.00 -1.52 -3.46 119.26 117.61 1iyg h ALA 34 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1iyg h ALA 34 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyg h ALA 34 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1iyg n GLY 35 N -0.19 1.40 0.00 0.00 0.00 -0.21 -5.08 105.19 101.11 1iyg n GLY 35 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyg n SER 36 N 0.00 0.00 -4.15 1.61 2.88 -0.89 -5.03 113.62 108.04 1iyg n SER 36 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1iyg n SER 36 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1iyg n SER 36 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iyg s VAL 37 N -1.25 0.93 0.90 2.46 0.11 -1.07 -4.44 120.40 118.03 1iyg s VAL 37 Ca 0.00 -1.42 -0.12 0.00 -2.93 0.00 0.00 61.98 57.51 1iyg s VAL 37 Cb 0.00 -1.12 0.13 0.00 -1.53 0.00 0.00 36.38 33.86 1iyg s VAL 37 CO 0.00 -0.41 1.09 -0.44 -3.33 0.00 0.00 175.10 172.01 1iyg s SER 38 N -2.04 3.46 -0.02 3.54 0.01 -1.26 -4.93 113.70 112.45 1iyg s SER 38 Ca -0.00 1.48 -0.24 0.00 1.31 0.00 0.00 55.95 58.50 1iyg s SER 38 Cb -0.07 -2.16 -0.18 0.00 0.21 0.00 0.00 66.02 63.82 1iyg s SER 38 CO 0.01 -2.65 1.13 0.11 0.41 0.00 0.00 173.24 172.26 1iyg h LYS 39 N -1.55 -0.18 -0.23 12.44 1.57 -2.00 -2.87 116.57 123.76 1iyg h LYS 39 Ca -0.50 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1iyg h LYS 39 Cb 1.28 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1iyg h LYS 39 CO 0.55 0.25 -0.13 0.43 -0.57 0.00 0.00 179.45 179.97 1iyg n SER 40 N -4.95 -0.24 -0.14 0.86 7.64 -1.26 0.21 113.62 115.73 1iyg n SER 40 Ca -0.09 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.75 1iyg n SER 40 Cb 0.26 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1iyg h THR 41 N 0.00 0.17 0.05 0.44 2.02 -1.97 0.84 112.91 114.47 1iyg h THR 41 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1iyg h THR 41 Cb 0.09 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1iyg h THR 41 CO -0.21 0.00 -0.05 -0.61 0.37 0.00 0.00 175.52 175.02 1iyg h GLN 42 N -0.25 -0.10 -0.92 6.66 -0.00 -0.36 0.14 115.11 120.29 1iyg h GLN 42 Ca 0.18 0.01 0.26 0.00 -0.00 0.00 0.00 58.65 59.09 1iyg h GLN 42 Cb 0.56 0.02 -0.16 0.00 0.00 0.00 0.00 27.48 27.90 1iyg h GLN 42 CO -0.59 -0.06 0.18 0.35 0.00 0.00 0.00 178.83 178.71 1iyg h PHE 43 N -0.10 0.24 0.39 3.99 3.57 0.28 0.39 116.94 125.70 1iyg h PHE 43 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1iyg h PHE 43 Cb 0.09 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1iyg h PHE 43 CO -0.05 -0.31 -0.37 0.93 -2.23 0.00 0.00 178.31 176.29 1iyg h GLU 44 N 0.12 -0.72 -1.03 1.11 5.08 0.10 0.71 114.58 119.95 1iyg h GLU 44 Ca 0.59 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 59.26 1iyg h GLU 44 Cb 1.23 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.56 1iyg h GLU 44 CO -0.75 -0.48 0.68 -0.92 -1.00 0.00 0.00 179.01 176.55 1iyg h TYR 45 N -0.75 0.49 0.79 4.33 3.20 0.72 0.26 116.97 126.01 1iyg h TYR 45 Ca -0.05 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1iyg h TYR 45 Cb 0.64 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.78 1iyg h TYR 45 CO -0.19 0.06 -0.38 0.00 -1.64 0.00 0.00 178.16 176.01 1iyg h ALA 46 N 1.58 -1.07 -0.76 1.82 0.00 -0.15 0.74 119.26 121.41 1iyg h ALA 46 Ca 0.56 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.42 1iyg h ALA 46 Cb 1.59 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1iyg h ALA 46 CO -0.21 -0.99 0.53 2.35 0.00 0.00 0.00 179.25 180.92 1iyg h TRP 47 N -1.28 0.24 -0.16 0.00 2.91 0.51 0.39 115.95 118.56 1iyg h TRP 47 Ca -0.11 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 1iyg h TRP 47 Cb 0.82 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.39 1iyg h TRP 47 CO 0.00 0.08 0.04 0.00 -1.03 0.00 0.00 178.44 177.53 1iyg h LEU 49 N 0.07 -0.90 -0.76 0.00 3.38 0.22 -0.96 115.31 116.36 1iyg h LEU 49 Ca 0.05 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1iyg h LEU 49 Cb 0.25 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 1iyg h LEU 49 CO -0.00 -0.38 0.15 -0.37 0.09 0.00 0.00 178.44 177.92 1iyg h VAL 50 N -0.56 0.44 -0.15 1.22 -1.51 -1.28 1.55 116.25 115.96 1iyg h VAL 50 Ca -0.03 -0.07 0.04 0.00 -1.23 0.00 0.00 66.70 65.41 1iyg h VAL 50 Cb 0.51 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1iyg h VAL 50 CO -0.09 0.04 0.29 0.03 -1.23 0.00 0.00 177.57 176.61 1iyg h ARG 51 N 0.22 0.00 -6.79 5.19 2.47 -0.05 -3.42 114.38 112.00 1iyg h ARG 51 Ca 0.44 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.78 1iyg h ARG 51 Cb 0.77 0.00 0.21 0.00 -1.65 0.00 0.00 29.97 29.30 1iyg h ARG 51 CO -0.57 0.00 -0.32 0.45 0.56 0.00 0.00 179.97 180.10 1iyg n SER 52 N -3.35 -2.97 0.06 7.04 2.88 0.53 -1.18 113.62 116.62 1iyg n SER 52 Ca 0.01 -0.46 0.11 0.00 -1.33 0.00 0.00 58.87 57.21 1iyg n SER 52 Cb 0.40 -1.03 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 1iyg n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iyg n LYS 53 N -4.24 0.50 -1.66 -1.46 2.85 -1.26 -4.66 118.16 108.23 1iyg n LYS 53 Ca 0.06 0.03 -0.30 0.00 -1.05 0.00 0.00 58.31 57.05 1iyg n LYS 53 Cb 0.54 -1.70 0.06 0.00 -0.65 0.00 0.00 35.03 33.29 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1iyg s TYR 54 N -3.33 3.11 -0.18 5.58 1.51 -1.26 -5.00 117.35 117.79 1iyg s TYR 54 Ca -0.00 1.23 0.12 0.00 -1.01 0.00 0.00 57.07 57.40 1iyg s TYR 54 Cb 0.12 -2.99 -0.19 0.00 -0.11 0.00 0.00 41.96 38.79 1iyg s TYR 54 CO 0.81 -1.36 -0.00 0.09 -1.11 0.00 0.00 175.55 173.98 1iyg n ASN 55 N -3.17 1.26 0.20 2.29 4.13 -1.26 -4.11 115.26 114.59 1iyg n ASN 55 Ca 0.07 -0.03 0.04 0.00 1.68 0.00 0.00 54.58 56.34 1iyg n ASN 55 Cb 0.55 0.61 0.41 0.00 -1.54 0.00 0.00 39.78 39.81 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1iyg h GLU 56 N 0.00 0.00 0.00 3.52 3.07 -1.99 -1.61 114.58 117.57 1iyg h GLU 56 Ca -0.46 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.30 1iyg h GLU 56 Cb 1.95 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.85 1iyg h GLU 56 CO 0.00 0.30 -0.50 -0.44 -1.40 0.00 0.00 179.01 176.97 1iyg h ASP 57 N 0.00 0.00 0.28 1.42 5.19 -1.90 -3.28 116.42 118.13 1iyg h ASP 57 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1iyg h ASP 57 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1iyg h ASP 57 CO 0.04 0.50 -0.13 0.40 -3.12 0.00 0.00 179.24 176.93 1iyg h ILE 58 N 0.00 0.00 -1.48 0.35 2.04 -1.45 -1.39 117.51 115.59 1iyg h ILE 58 Ca -0.01 -0.02 0.48 0.00 1.00 0.00 0.00 64.86 66.31 1iyg h ILE 58 Cb 1.18 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.15 1iyg h ILE 58 CO 0.07 0.00 1.00 -1.14 0.00 0.00 0.00 178.15 178.07 1iyg n ARG 59 N -3.07 -0.02 0.21 2.37 0.63 -1.14 0.20 116.66 115.83 1iyg n ARG 59 Ca -0.05 1.12 -0.09 0.00 -0.92 0.00 0.00 57.85 57.92 1iyg n ARG 59 Cb 0.15 -2.32 -0.04 0.00 0.45 0.00 0.00 32.46 30.70 1iyg n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iyg h ARG 60 N 0.00 -0.54 0.00 -0.14 -0.00 -1.52 -2.63 114.38 109.54 1iyg h ARG 60 Ca 0.84 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 60.36 1iyg h ARG 60 Cb 2.95 0.12 0.00 0.00 0.00 0.00 0.00 29.97 33.04 1iyg h ARG 60 CO -0.29 -0.36 0.57 0.78 0.00 0.00 0.00 179.97 180.66 1iyg h GLY 61 N -0.84 0.00 0.08 0.04 0.00 0.87 -0.19 103.07 103.03 1iyg h GLY 61 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1iyg h GLY 61 CO 0.09 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.38 1iyg h ILE 62 N 0.00 0.00 -1.00 2.60 2.04 -1.05 -2.47 117.51 117.63 1iyg h ILE 62 Ca 0.00 -0.46 0.38 0.00 1.00 0.00 0.00 64.86 65.78 1iyg h ILE 62 Cb 1.13 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.04 1iyg h ILE 62 CO 0.00 0.00 0.50 -0.37 0.00 0.00 0.00 178.15 178.28 1iyg h VAL 63 N -0.57 0.07 0.73 1.67 -1.51 -0.68 2.76 116.25 118.72 1iyg h VAL 63 Ca -0.01 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1iyg h VAL 63 Cb 0.08 -0.01 0.01 0.00 -2.13 0.00 0.00 31.29 29.24 1iyg h VAL 63 CO 0.02 0.01 -0.35 -0.07 -1.23 0.00 0.00 177.57 175.95 1iyg h LEU 64 N 0.08 -0.83 -1.77 4.19 3.38 -1.51 0.30 115.31 119.14 1iyg h LEU 64 Ca 0.80 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 1iyg h LEU 64 Cb 2.01 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.98 1iyg h LEU 64 CO -0.74 -0.52 -0.14 -0.07 0.09 0.00 0.00 178.44 177.05 1iyg h LEU 65 N -1.10 0.00 -0.56 1.67 3.38 0.60 0.99 115.31 120.29 1iyg h LEU 65 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iyg h LEU 65 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1iyg h LEU 65 CO 0.16 0.14 0.00 -0.33 0.09 0.00 0.00 178.44 178.51 1iyg h GLU 66 N 0.00 0.00 0.06 1.13 5.08 0.49 -0.69 114.58 120.65 1iyg h GLU 66 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 1iyg h GLU 66 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1iyg h GLU 66 CO 0.02 0.00 -1.91 0.39 -1.00 0.00 0.00 179.01 176.51 1iyg n GLU 67 N -2.74 0.70 0.21 2.33 -0.58 0.10 -3.97 120.64 116.69 1iyg n GLU 67 Ca 0.03 0.26 0.11 0.00 -0.42 0.00 0.00 57.16 57.14 1iyg n GLU 67 Cb 0.38 -1.73 0.18 0.00 -0.57 0.00 0.00 31.44 29.71 1iyg n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1iyg h LEU 68 N 0.03 0.00 0.83 -4.62 3.38 -1.02 -2.48 115.31 111.43 1iyg h LEU 68 Ca -0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1iyg h LEU 68 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 1iyg h LEU 68 CO 0.07 0.06 -0.40 -0.07 0.09 0.00 0.00 178.44 178.20 1iyg h LEU 69 N 0.00 -0.94 0.00 1.67 3.38 -1.25 1.51 115.31 119.69 1iyg h LEU 69 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iyg h LEU 69 Cb 1.02 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1iyg h LEU 69 CO 0.01 -0.65 0.00 -0.81 0.09 0.00 0.00 178.44 177.08 1iyg n PRO 70 N -5.13 0.07 -0.26 1.13 -0.04 -1.25 -2.15 135.00 127.37 1iyg n PRO 70 Ca -0.14 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1iyg n PRO 70 Cb 0.44 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.58 1iyg n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iyg n LYS 71 N -1.46 2.64 0.00 0.54 5.02 -0.93 -4.99 118.16 118.97 1iyg n LYS 71 Ca 0.06 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 1iyg n LYS 71 Cb 0.24 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1iyg n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iyg n GLY 72 N -0.41 2.01 0.00 0.72 0.00 0.51 -4.87 105.19 103.16 1iyg n GLY 72 Ca 0.16 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1iyg n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 73 N 0.00 0.00 0.08 1.61 7.64 -1.26 -5.03 113.62 116.66 1iyg n SER 73 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iyg n SER 73 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1iyg n SER 73 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1iyg n LYS 74 N -0.03 0.00 0.03 1.43 3.00 -1.26 -4.89 118.16 116.43 1iyg n LYS 74 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1iyg n LYS 74 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.26 1iyg n LYS 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1iyg n GLU 75 N -2.81 0.03 0.07 1.64 -0.58 -1.26 -0.61 120.64 117.12 1iyg n GLU 75 Ca 0.00 0.40 0.12 0.00 -0.42 0.00 0.00 57.16 57.26 1iyg n GLU 75 Cb 0.00 -1.57 0.19 0.00 -0.57 0.00 0.00 31.44 29.48 1iyg n GLU 75 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1iyg h GLU 76 N 0.00 0.00 0.00 3.49 5.08 -1.99 -3.25 114.58 117.91 1iyg h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iyg h GLU 76 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1iyg h GLU 76 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1iyg n GLN 77 N -2.16 0.12 0.19 2.33 6.02 0.22 -2.23 117.38 121.88 1iyg n GLN 77 Ca 0.03 0.26 0.08 0.00 -0.01 0.00 0.00 57.00 57.37 1iyg n GLN 77 Cb 0.44 -1.69 0.22 0.00 1.02 0.00 0.00 30.24 30.23 1iyg n GLN 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iyg h ARG 78 N 0.00 0.00 0.12 -1.09 -0.00 -1.69 -2.60 114.38 109.13 1iyg h ARG 78 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.15 1iyg h ARG 78 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1iyg h ARG 78 CO 0.00 0.24 -1.74 -0.44 0.00 0.00 0.00 179.97 178.03 1iyg h ASP 79 N 0.00 0.41 0.01 7.04 5.19 -1.66 -3.27 116.42 124.13 1iyg h ASP 79 Ca -0.00 -0.70 -0.00 0.00 -0.62 0.00 0.00 57.03 55.71 1iyg h ASP 79 Cb 1.06 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1iyg h ASP 79 CO 0.03 1.60 -0.00 1.88 -3.12 0.00 0.00 179.24 179.63 1iyg h TYR 80 N 0.07 -0.01 -0.95 4.55 0.05 -1.53 -3.06 116.97 116.09 1iyg h TYR 80 Ca -0.33 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.61 1iyg h TYR 80 Cb 2.04 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.63 1iyg h TYR 80 CO 0.07 -0.01 -0.34 0.28 -1.05 0.00 0.00 178.16 177.11 1iyg n VAL 81 N -2.04 -0.48 -0.33 -2.88 0.31 -0.98 0.18 118.33 112.11 1iyg n VAL 81 Ca -0.00 2.22 0.26 0.00 -0.01 0.00 0.00 64.34 66.81 1iyg n VAL 81 Cb 0.01 -2.97 0.49 0.00 -0.91 0.00 0.00 33.84 30.45 1iyg n VAL 81 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1iyg h PHE 82 N 0.00 0.59 0.00 3.52 3.57 -1.61 0.95 116.94 123.96 1iyg h PHE 82 Ca 0.36 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 1iyg h PHE 82 Cb 0.60 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1iyg h PHE 82 CO -0.81 -0.43 -0.27 1.88 -2.23 0.00 0.00 178.31 176.44 1iyg h TYR 83 N 0.04 0.00 -0.97 0.41 -1.99 0.21 -2.95 116.97 111.71 1iyg h TYR 83 Ca 0.76 0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.86 1iyg h TYR 83 Cb 1.89 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 40.45 1iyg h TYR 83 CO -0.15 0.97 0.36 1.28 -0.00 0.00 0.00 178.16 180.62 1iyg n LEU 84 N -4.59 0.20 0.14 3.88 4.32 0.52 0.48 117.00 121.94 1iyg n LEU 84 Ca -0.13 1.63 -0.11 0.00 -0.02 0.00 0.00 56.01 57.38 1iyg n LEU 84 Cb 0.47 -0.73 -0.06 0.00 -1.62 0.00 0.00 43.42 41.47 1iyg n LEU 84 CO 0.27 -1.77 0.37 0.00 -1.22 0.00 0.00 177.39 175.04 1iyg h ALA 85 N 1.95 -0.41 -0.97 -1.18 0.00 -1.03 -0.76 119.26 116.85 1iyg h ALA 85 Ca 0.75 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.67 1iyg h ALA 85 Cb 1.88 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 19.65 1iyg h ALA 85 CO -0.80 -0.45 -0.27 0.28 0.00 0.00 0.00 179.25 178.00 1iyg h VAL 86 N -0.96 0.02 -0.02 0.00 2.07 0.22 1.13 116.25 118.71 1iyg h VAL 86 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1iyg h VAL 86 Cb 0.50 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1iyg h VAL 86 CO 0.07 0.00 0.01 1.23 0.02 0.00 0.00 177.57 178.89 1iyg h GLY 87 N -0.00 0.04 0.35 2.17 0.00 -0.55 -2.53 103.07 102.55 1iyg h GLY 87 Ca 0.44 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1iyg h GLY 87 CO -1.00 0.02 -0.32 3.43 0.00 0.00 0.00 176.54 178.68 1iyg h ASN 88 N -0.19 -0.93 -0.71 0.19 2.35 0.13 -1.93 115.58 114.49 1iyg h ASN 88 Ca 0.01 0.12 0.14 0.00 -0.55 0.00 0.00 56.30 56.01 1iyg h ASN 88 Cb 0.23 0.37 -0.14 0.00 0.05 0.00 0.00 38.32 38.84 1iyg h ASN 88 CO 0.00 -0.39 -0.23 0.22 -1.65 0.00 0.00 177.43 175.38 1iyg h TYR 89 N -0.49 -0.55 -0.83 1.19 3.20 0.11 1.06 116.97 120.66 1iyg h TYR 89 Ca 0.05 0.07 0.20 0.00 3.14 0.00 0.00 58.73 62.19 1iyg h TYR 89 Cb 0.56 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 1iyg h TYR 89 CO -0.32 -0.34 0.57 -0.09 -1.64 0.00 0.00 178.16 176.33 1iyg h ARG 90 N -0.04 0.24 -0.86 1.82 1.12 -0.91 1.20 114.38 116.94 1iyg h ARG 90 Ca 0.33 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 59.04 1iyg h ARG 90 Cb 0.55 -0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 30.37 1iyg h ARG 90 CO -0.75 0.16 0.18 1.28 -3.11 0.00 0.00 179.97 177.72 1iyg n LEU 91 N -4.43 4.53 -2.21 3.80 4.77 0.34 -4.83 117.00 118.97 1iyg n LEU 91 Ca 0.17 -2.35 -0.13 0.00 -0.03 0.00 0.00 56.01 53.68 1iyg n LEU 91 Cb 0.73 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1iyg n LEU 91 CO 0.34 0.64 -0.16 2.29 -1.33 0.00 0.00 177.39 179.17 1iyg n LYS 92 N -0.01 -1.99 -0.96 3.23 2.85 0.41 -4.79 118.16 116.90 1iyg n LYS 92 Ca 0.26 0.66 -0.16 0.00 -1.05 0.00 0.00 58.31 58.01 1iyg n LYS 92 Cb 1.01 -5.19 0.00 0.00 -0.65 0.00 0.00 35.03 30.21 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 -2.61 1.83 -0.33 -1.58 -0.58 0.38 -4.69 120.64 113.06 1iyg n GLU 93 Ca -0.15 -1.50 -0.05 0.00 -0.42 0.00 0.00 57.16 55.05 1iyg n GLU 93 Cb 0.58 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1iyg n GLU 93 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1iyg n TYR 94 N 0.69 -0.16 0.00 -0.32 4.01 -1.26 0.70 117.16 120.83 1iyg n TYR 94 Ca 0.31 1.03 0.00 0.00 -0.16 0.00 0.00 57.90 59.07 1iyg n TYR 94 Cb 0.58 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1iyg n TYR 94 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1iyg n GLU 95 N -5.13 0.00 -0.06 -0.72 -0.58 -1.26 0.80 120.64 113.68 1iyg n GLU 95 Ca 0.05 0.77 -0.08 0.00 -0.42 0.00 0.00 57.16 57.49 1iyg n GLU 95 Cb 0.28 -1.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1iyg h LYS 96 N 0.00 -0.25 -0.00 3.49 1.79 -1.63 0.25 116.57 120.22 1iyg h LYS 96 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1iyg h LYS 96 Cb 0.00 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1iyg h LYS 96 CO 0.00 -0.17 -0.00 0.00 -1.08 0.00 0.00 179.45 178.20 1iyg n ALA 97 N -2.85 -0.00 0.01 3.86 0.00 0.22 -0.11 120.51 121.63 1iyg n ALA 97 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1iyg n ALA 97 Cb 0.31 0.50 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.39 -1.88 0.00 -0.00 0.78 1.32 115.31 114.13 1iyg h LEU 98 Ca 0.00 0.18 0.55 0.00 -0.00 0.00 0.00 57.88 58.60 1iyg h LEU 98 Cb 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 40.66 41.15 1iyg h LEU 98 CO -0.00 -0.44 1.37 0.29 -0.00 0.00 0.00 178.44 179.65 1iyg n LYS 99 N -5.44 0.00 -0.08 1.13 5.02 0.86 0.30 118.16 119.95 1iyg n LYS 99 Ca -0.05 1.04 -0.17 0.00 -2.02 0.00 0.00 58.31 57.11 1iyg n LYS 99 Cb 0.37 -2.41 -0.13 0.00 -0.02 0.00 0.00 35.03 32.84 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1iyg n TYR 100 N -3.82 0.45 0.78 2.13 4.01 0.17 -3.54 117.16 117.34 1iyg n TYR 100 Ca 0.42 0.11 0.10 0.00 -0.16 0.00 0.00 57.90 58.37 1iyg n TYR 100 Cb 1.93 -1.06 0.47 0.00 -0.31 0.00 0.00 39.34 40.37 1iyg n TYR 100 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 101 N -3.24 0.51 -0.06 -0.72 0.31 0.52 -1.89 118.33 113.75 1iyg n VAL 101 Ca -0.38 0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1iyg n VAL 101 Cb 1.03 -0.76 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 1iyg n VAL 101 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1iyg h ARG 102 N 0.00 0.00 0.00 5.55 2.47 0.44 -3.03 114.38 119.80 1iyg h ARG 102 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1iyg h ARG 102 Cb 0.34 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1iyg h ARG 102 CO 0.00 0.00 -0.01 0.78 0.56 0.00 0.00 179.97 181.30 1iyg h GLY 103 N -0.95 0.00 1.06 0.04 0.00 -1.60 0.15 103.07 101.77 1iyg h GLY 103 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1iyg h GLY 103 CO 0.00 0.00 -1.07 -2.00 0.00 0.00 0.00 176.54 173.47 1iyg h LEU 104 N 0.00 0.76 -0.72 3.11 7.12 -1.54 -3.22 115.31 120.81 1iyg h LEU 104 Ca -0.00 -0.84 -0.12 0.00 0.13 0.00 0.00 57.88 57.05 1iyg h LEU 104 Cb 0.04 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.92 1iyg h LEU 104 CO 0.00 1.51 -0.32 -0.07 -0.13 0.00 0.00 178.44 179.43 1iyg h LEU 105 N 0.10 0.64 -0.43 2.25 3.38 -1.10 0.29 115.31 120.45 1iyg h LEU 105 Ca -0.16 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.64 1iyg h LEU 105 Cb 1.77 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.26 1iyg h LEU 105 CO 0.20 0.92 -0.17 1.56 0.09 0.00 0.00 178.44 181.05 1iyg h GLN 106 N 0.52 -0.07 0.00 1.13 1.08 -0.79 1.27 115.11 118.24 1iyg h GLN 106 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1iyg h GLN 106 Cb 0.81 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1iyg h GLN 106 CO 0.07 -0.05 -0.52 0.00 -0.95 0.00 0.00 178.83 177.38 1iyg h THR 107 N -0.08 0.00 -2.10 -0.54 1.03 -1.54 -3.37 112.91 106.32 1iyg h THR 107 Ca 0.21 -0.79 -0.56 0.00 -0.01 0.00 0.00 66.41 65.26 1iyg h THR 107 Cb 0.40 1.50 -0.40 0.00 -1.07 0.00 0.00 68.15 68.57 1iyg h THR 107 CO -0.48 0.00 -0.91 -0.62 -0.01 0.00 0.00 175.52 173.49 1iyg n GLU 108 N -2.57 1.65 0.22 0.00 -0.58 0.10 -4.88 120.64 114.58 1iyg n GLU 108 Ca 0.03 -3.91 0.10 0.00 -0.42 0.00 0.00 57.16 52.96 1iyg n GLU 108 Cb 0.50 -1.76 0.35 0.00 -0.57 0.00 0.00 31.44 29.96 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 3.70 0.00 0.00 3.49 0.13 0.13 -2.76 132.00 136.68 1iyg h PRO 109 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1iyg h PRO 109 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1iyg h PRO 109 CO 0.63 0.18 -0.12 -0.56 -0.23 0.00 0.00 178.00 177.90 1iyg h GLN 110 N 0.00 0.00 -6.27 0.86 3.07 -1.90 -3.45 115.11 107.43 1iyg h GLN 110 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.18 1iyg h GLN 110 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.42 1iyg h GLN 110 CO 0.02 0.00 1.14 1.21 0.09 0.00 0.00 178.83 181.29 1iyg s ASN 111 N -4.61 6.38 -0.06 0.06 3.84 -1.04 -4.88 114.94 114.63 1iyg s ASN 111 Ca 0.09 1.74 -0.27 0.00 0.21 0.00 0.00 52.86 54.64 1iyg s ASN 111 Cb 0.12 -2.53 -0.22 0.00 -0.55 0.00 0.00 41.25 38.07 1iyg s ASN 111 CO 0.63 -1.24 1.11 0.78 -2.79 0.00 0.00 177.10 175.58 1iyg h ASN 112 N 10.76 -0.01 -0.96 -4.21 2.35 -1.88 -2.04 115.58 119.59 1iyg h ASN 112 Ca -0.35 -0.63 0.27 0.00 -0.55 0.00 0.00 56.30 55.04 1iyg h ASN 112 Cb 1.16 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.36 1iyg h ASN 112 CO 0.99 0.63 0.08 1.56 -1.65 0.00 0.00 177.43 179.04 1iyg h GLN 113 N -0.65 0.03 0.22 0.81 4.20 -1.94 0.31 115.11 118.09 1iyg h GLN 113 Ca -0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1iyg h GLN 113 Cb 0.64 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1iyg h GLN 113 CO 0.00 0.02 -0.10 0.00 -0.67 0.00 0.00 178.83 178.08 1iyg h ALA 114 N 1.95 -0.29 -0.98 3.87 0.00 -1.91 -2.82 119.26 119.08 1iyg h ALA 114 Ca 0.60 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.43 1iyg h ALA 114 Cb 1.26 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1iyg h ALA 114 CO -0.87 -0.41 -0.46 0.87 0.00 0.00 0.00 179.25 178.38 1iyg h LYS 115 N -0.79 -0.01 0.01 0.00 1.57 0.20 0.12 116.57 117.67 1iyg h LYS 115 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1iyg h LYS 115 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 1iyg h LYS 115 CO 0.05 -0.01 -0.47 0.93 -0.57 0.00 0.00 179.45 179.38 1iyg h GLU 116 N -0.01 -0.58 -0.78 3.15 5.08 -0.63 -2.35 114.58 118.46 1iyg h GLU 116 Ca 0.28 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1iyg h GLU 116 Cb 0.53 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 1iyg h GLU 116 CO -0.96 -0.38 -0.47 -0.07 -1.00 0.00 0.00 179.01 176.12 1iyg h LEU 117 N -0.60 -1.73 -0.77 1.33 3.38 -0.58 1.01 115.31 117.36 1iyg h LEU 117 Ca 0.01 0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1iyg h LEU 117 Cb 0.64 0.76 -0.09 0.00 0.09 0.00 0.00 40.66 42.06 1iyg h LEU 117 CO -0.31 -0.19 -0.45 1.21 0.09 0.00 0.00 178.44 178.79 1iyg n GLU 118 N -4.81 -0.34 -0.04 1.13 2.13 -0.14 0.11 120.64 118.69 1iyg n GLU 118 Ca 0.01 1.16 -0.11 0.00 0.66 0.00 0.00 57.16 58.88 1iyg n GLU 118 Cb 0.21 -1.70 -0.05 0.00 0.27 0.00 0.00 31.44 30.17 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 0.22 -0.59 5.31 3.08 -0.38 1.07 114.38 123.10 1iyg h ARG 119 Ca 0.12 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.24 1iyg h ARG 119 Cb 0.31 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.22 1iyg h ARG 119 CO -0.72 0.33 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.18 1iyg h LEU 120 N 0.06 -0.94 -0.19 3.04 3.38 0.61 0.14 115.31 121.42 1iyg h LEU 120 Ca 0.05 0.21 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 1iyg h LEU 120 Cb 0.20 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1iyg h LEU 120 CO -0.00 -0.27 -0.54 0.40 0.09 0.00 0.00 178.44 178.12 1iyg h ILE 121 N -0.12 1.31 -0.92 1.22 2.04 0.98 -1.56 117.51 120.47 1iyg h ILE 121 Ca 0.26 -1.77 0.24 0.00 1.00 0.00 0.00 64.86 64.59 1iyg h ILE 121 Cb 0.52 1.91 -0.16 0.00 -0.74 0.00 0.00 36.82 38.35 1iyg h ILE 121 CO -0.66 0.55 0.08 -0.78 0.00 0.00 0.00 178.15 177.34 1iyg h ASP 122 N 0.39 -0.34 0.04 1.72 1.82 0.33 0.48 116.42 120.87 1iyg h ASP 122 Ca -0.01 0.24 -0.20 0.00 -0.39 0.00 0.00 57.03 56.67 1iyg h ASP 122 Cb 1.16 0.41 0.02 0.00 0.68 0.00 0.00 39.33 41.59 1iyg h ASP 122 CO 0.12 -0.28 -0.81 0.11 -1.61 0.00 0.00 179.24 176.77 1iyg h LYS 123 N 0.07 0.47 0.00 0.28 1.57 -0.79 -3.19 116.57 114.98 1iyg h LYS 123 Ca 0.55 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iyg h LYS 123 Cb 1.12 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1iyg h LYS 123 CO -0.81 1.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 1iyg n ALA 124 N -2.63 0.00 -0.51 3.86 0.00 0.16 0.15 120.51 121.55 1iyg n ALA 124 Ca -0.12 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.74 1iyg n ALA 124 Cb 0.78 0.19 0.70 0.00 0.00 0.00 0.00 19.45 21.12 1iyg n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyg h MET 125 N 0.00 0.04 -0.21 0.00 -0.00 -1.48 1.49 114.93 114.76 1iyg h MET 125 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1iyg h MET 125 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.58 1iyg h MET 125 CO 0.00 0.03 0.08 0.87 -0.00 0.00 0.00 176.91 177.88 1iyg h LYS 126 N 0.04 0.32 -4.25 -0.10 1.57 -0.29 -3.26 116.57 110.59 1iyg h LYS 126 Ca 0.86 -0.06 -0.60 0.00 -1.87 0.00 0.00 60.65 58.98 1iyg h LYS 126 Cb 2.91 -0.05 0.04 0.00 0.08 0.00 0.00 32.23 35.21 1iyg h LYS 126 CO -0.33 0.39 2.38 1.63 -0.57 0.00 0.00 179.45 182.95 1iyg n LYS 127 N -4.80 1.64 -2.24 3.15 5.02 0.51 -4.85 118.16 116.58 1iyg n LYS 127 Ca -0.04 -1.78 -0.15 0.00 -2.02 0.00 0.00 58.31 54.32 1iyg n LYS 127 Cb 0.13 -2.83 0.07 0.00 -0.02 0.00 0.00 35.03 32.38 1iyg n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iyg n SER 128 N 6.78 1.27 0.00 4.39 2.88 -1.23 -4.96 113.62 122.75 1iyg n SER 128 Ca 0.48 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1iyg n SER 128 Cb 0.35 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 129 N -0.36 -0.64 3.61 0.46 0.00 -1.26 -5.09 105.19 101.90 1iyg n GLY 129 Ca 0.12 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1iyg n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iyg s PRO 130 N -1.32 3.68 0.13 1.61 0.04 -1.26 -4.97 135.00 132.91 1iyg s PRO 130 Ca 0.00 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.04 1iyg s PRO 130 Cb 0.00 -3.98 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 1iyg s PRO 130 CO 0.00 -1.42 0.18 -1.54 0.04 0.00 0.00 177.00 174.26 1iyg s SER 131 N 3.63 0.16 0.07 6.66 1.04 -1.26 -5.18 113.70 118.81 1iyg s SER 131 Ca 0.60 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 1iyg s SER 131 Cb -0.15 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1iyg s SER 131 CO 0.30 -0.79 -0.03 -0.55 0.98 0.00 0.00 173.24 173.15 1iyg s SER 132 N -2.95 0.61 0.00 7.02 0.15 -1.26 -5.31 113.70 111.97 1iyg s SER 132 Ca 0.14 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1iyg s SER 132 Cb 0.05 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1iyg s SER 132 CO -0.04 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.43