#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 -0.33 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.42 1iyg s SER 2 Ca 0.00 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 1iyg s SER 2 Cb 0.00 0.29 0.18 0.00 -1.71 0.00 0.00 66.02 64.78 1iyg s SER 2 CO 0.00 -0.39 0.75 -0.55 1.20 0.00 0.00 173.24 174.26 1iyg s SER 3 N -1.57 -1.06 0.00 5.45 0.15 -1.26 -5.16 113.70 110.25 1iyg s SER 3 Ca 0.02 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1iyg s SER 3 Cb -0.01 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 1iyg s SER 3 CO -0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1iyg n GLY 4 N 5.43 2.78 3.20 9.45 0.00 -1.26 -5.18 105.19 119.61 1iyg n GLY 4 Ca -0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 1.40 0.31 1.61 0.01 -1.26 -5.05 113.70 110.72 1iyg s SER 5 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1iyg s SER 5 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1iyg s SER 5 CO 0.00 -0.41 0.00 -1.54 0.41 0.00 0.00 173.24 171.70 1iyg n SER 6 N -0.10 -2.70 0.00 2.44 3.41 -1.26 -5.18 113.62 110.22 1iyg n SER 6 Ca -0.11 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1iyg n SER 6 Cb 0.61 2.67 0.00 0.00 -0.26 0.00 0.00 64.21 67.23 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyg n GLY 7 N -1.32 0.88 0.06 5.00 0.00 -1.26 -4.70 105.19 103.85 1iyg n GLY 7 Ca 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.14 1.67 0.17 1.61 1.56 -1.26 -3.74 117.12 115.98 1iyg n MET 8 Ca 0.00 -0.02 0.12 0.00 -0.27 0.00 0.00 57.70 57.53 1iyg n MET 8 Cb 0.00 -1.35 0.17 0.00 2.15 0.00 0.00 33.22 34.19 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 0.00 0.00 0.10 2.12 4.81 -1.94 -2.63 114.58 117.03 1iyg h GLU 9 Ca -0.33 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.58 1iyg h GLU 9 Cb 1.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.09 1iyg h GLU 9 CO 0.02 0.00 -1.70 0.00 -0.73 0.00 0.00 179.01 176.60 1iyg h ALA 10 N 2.11 0.33 0.21 2.92 0.00 -1.84 -3.17 119.26 119.82 1iyg h ALA 10 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 54.91 53.62 1iyg h ALA 10 Cb 0.95 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1iyg h ALA 10 CO 0.00 1.06 -0.10 -0.24 0.00 0.00 0.00 179.25 179.97 1iyg h VAL 11 N -0.26 0.83 0.00 0.00 3.04 -1.65 1.32 116.25 119.53 1iyg h VAL 11 Ca -0.38 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1iyg h VAL 11 Cb 1.81 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 1iyg h VAL 11 CO 0.01 0.04 0.00 -0.11 -1.01 0.00 0.00 177.57 176.50 1iyg n LEU 12 N -5.17 0.24 -0.09 3.16 7.94 -0.99 -2.58 117.00 119.51 1iyg n LEU 12 Ca -0.09 0.59 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 1iyg n LEU 12 Cb 0.16 -0.59 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 1iyg n LEU 12 CO 0.34 -0.56 -0.55 0.59 -1.11 0.00 0.00 177.39 176.10 1iyg n ASN 13 N -1.80 1.86 -4.60 1.96 3.02 -0.26 -4.96 115.26 110.49 1iyg n ASN 13 Ca 0.01 0.50 -0.31 0.00 -0.03 0.00 0.00 54.58 54.75 1iyg n ASN 13 Cb 0.08 -0.85 0.16 0.00 -0.61 0.00 0.00 39.78 38.57 1iyg n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1iyg n GLU 14 N -4.52 -0.56 -4.42 3.52 0.00 0.44 -5.04 120.64 110.07 1iyg n GLU 14 Ca -0.17 -0.10 -0.20 0.00 0.00 0.00 0.00 57.16 56.68 1iyg n GLU 14 Cb 0.45 -2.25 -0.10 0.00 0.00 0.00 0.00 31.44 29.54 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1iyg s LEU 15 N -5.39 2.35 0.34 4.31 1.43 -1.26 -4.87 118.68 115.59 1iyg s LEU 15 Ca 0.65 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 1iyg s LEU 15 Cb -0.23 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.40 1iyg s LEU 15 CO 0.61 -0.45 0.87 0.54 0.23 0.00 0.00 176.35 178.14 1iyg s VAL 16 N -3.17 4.43 -0.14 -1.59 0.11 -1.07 -4.91 120.40 114.06 1iyg s VAL 16 Ca 0.31 1.43 -0.09 0.00 -2.93 0.00 0.00 61.98 60.71 1iyg s VAL 16 Cb 0.06 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1iyg s VAL 16 CO 0.12 -0.08 0.16 -0.44 -3.33 0.00 0.00 175.10 171.53 1iyg s SER 17 N -1.96 6.36 0.19 3.54 0.01 -1.26 -4.74 113.70 115.84 1iyg s SER 17 Ca 0.54 0.42 -0.13 0.00 1.31 0.00 0.00 55.95 58.10 1iyg s SER 17 Cb -0.13 -2.09 0.21 0.00 0.21 0.00 0.00 66.02 64.22 1iyg s SER 17 CO 0.18 0.33 1.71 0.58 0.41 0.00 0.00 173.24 176.44 1iyg h VAL 18 N 4.20 0.68 -0.91 3.43 2.07 -1.98 0.44 116.25 124.19 1iyg h VAL 18 Ca -0.50 -0.07 0.22 0.00 0.82 0.00 0.00 66.70 67.17 1iyg h VAL 18 Cb 1.20 0.45 -0.12 0.00 -1.52 0.00 0.00 31.29 31.30 1iyg h VAL 18 CO 0.64 0.04 0.43 -0.08 0.02 0.00 0.00 177.57 178.62 1iyg h GLU 19 N 0.21 0.43 0.19 1.57 4.81 -1.99 0.42 114.58 120.23 1iyg h GLU 19 Ca 0.26 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1iyg h GLU 19 Cb 0.37 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1iyg h GLU 19 CO -0.36 0.28 -0.09 -0.44 -0.73 0.00 0.00 179.01 177.68 1iyg h ASP 20 N 0.44 -0.22 -0.96 1.04 5.19 -1.31 -1.71 116.42 118.90 1iyg h ASP 20 Ca 0.57 -0.20 0.21 0.00 -0.62 0.00 0.00 57.03 56.99 1iyg h ASP 20 Cb 1.07 0.06 -0.18 0.00 0.18 0.00 0.00 39.33 40.45 1iyg h ASP 20 CO -0.51 0.32 -0.18 0.25 -3.12 0.00 0.00 179.24 176.00 1iyg h LEU 21 N -1.00 -0.79 0.35 1.55 7.12 0.60 0.51 115.31 123.65 1iyg h LEU 21 Ca -0.03 0.29 -0.02 0.00 0.13 0.00 0.00 57.88 58.25 1iyg h LEU 21 Cb 0.40 0.57 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1iyg h LEU 21 CO 0.04 -0.32 -0.17 0.11 -0.13 0.00 0.00 178.44 177.97 1iyg h LYS 22 N 0.00 -0.46 -0.98 1.25 1.79 -0.26 0.75 116.57 118.67 1iyg h LYS 22 Ca 0.49 0.03 0.28 0.00 -2.18 0.00 0.00 60.65 59.27 1iyg h LYS 22 Cb 0.82 0.10 -0.18 0.00 -1.58 0.00 0.00 32.23 31.39 1iyg h LYS 22 CO -0.97 -0.22 0.09 -0.91 -1.08 0.00 0.00 179.45 176.36 1iyg h ASN 23 N -0.62 -0.37 0.05 0.86 2.35 0.86 0.46 115.58 119.17 1iyg h ASN 23 Ca -0.05 0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 55.80 1iyg h ASN 23 Cb 0.45 0.45 0.02 0.00 0.05 0.00 0.00 38.32 39.29 1iyg h ASN 23 CO 0.08 -0.35 -0.70 -0.26 -1.65 0.00 0.00 177.43 174.56 1iyg h PHE 24 N 0.02 0.61 -0.76 1.19 -1.00 -0.49 -3.34 116.94 113.18 1iyg h PHE 24 Ca 0.61 -0.37 0.08 0.00 2.81 0.00 0.00 57.97 61.11 1iyg h PHE 24 Cb 1.31 -0.06 -0.11 0.00 3.61 0.00 0.00 35.95 40.70 1iyg h PHE 24 CO -0.43 1.21 -0.55 1.49 -1.61 0.00 0.00 178.31 178.42 1iyg h GLU 25 N -0.16 -0.15 -0.55 1.51 4.81 0.51 -0.84 114.58 119.71 1iyg h GLU 25 Ca -0.10 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1iyg h GLU 25 Cb 1.44 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.79 1iyg h GLU 25 CO 0.14 -0.10 -0.37 0.00 -0.73 0.00 0.00 179.01 177.95 1iyg h ARG 26 N -0.16 -0.05 -0.78 1.92 3.08 -1.20 0.67 114.38 117.87 1iyg h ARG 26 Ca 0.15 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.31 1iyg h ARG 26 Cb 0.50 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 1iyg h ARG 26 CO -0.80 -0.04 -0.42 -0.22 -1.07 0.00 0.00 179.97 177.42 1iyg h LYS 27 N -0.06 -0.11 0.06 0.04 3.64 -1.32 0.63 116.57 119.45 1iyg h LYS 27 Ca 0.09 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1iyg h LYS 27 Cb 0.29 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1iyg h LYS 27 CO -0.54 -0.07 -0.33 0.35 -2.27 0.00 0.00 179.45 176.58 1iyg h PHE 28 N -0.11 -0.91 0.00 1.91 3.57 0.51 0.62 116.94 122.52 1iyg h PHE 28 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1iyg h PHE 28 Cb 0.55 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1iyg h PHE 28 CO -0.80 -0.43 0.00 1.04 -2.23 0.00 0.00 178.31 175.89 1iyg n GLN 29 N -5.42 0.00 -0.27 1.11 6.02 0.21 0.09 117.38 119.12 1iyg n GLN 29 Ca -0.06 0.63 -0.05 0.00 -0.01 0.00 0.00 57.00 57.52 1iyg n GLN 29 Cb 0.33 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.11 1iyg n GLN 29 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1iyg h SER 30 N 0.00 -1.33 -0.82 1.08 0.87 0.18 1.31 113.55 114.84 1iyg h SER 30 Ca 0.00 0.26 0.20 0.00 -1.23 0.00 0.00 61.79 61.02 1iyg h SER 30 Cb 0.00 0.66 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1iyg h SER 30 CO 0.00 -0.30 0.56 -0.33 -0.53 0.00 0.00 176.83 176.22 1iyg h GLU 31 N -0.12 0.27 0.78 2.24 4.39 0.42 0.35 114.58 122.91 1iyg h GLU 31 Ca 0.26 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1iyg h GLU 31 Cb 0.56 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1iyg h GLU 31 CO -0.79 0.18 -0.37 0.37 -1.16 0.00 0.00 179.01 177.23 1iyg h GLN 32 N 0.28 -1.01 0.00 2.33 4.15 0.57 -2.24 115.11 119.19 1iyg h GLN 32 Ca 0.41 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.90 1iyg h GLN 32 Cb 1.18 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1iyg h GLN 32 CO -0.11 -0.66 0.00 0.00 -1.93 0.00 0.00 178.83 176.13 1iyg n ALA 33 N -2.66 1.43 0.11 3.38 0.00 -0.59 -1.33 120.51 120.85 1iyg n ALA 33 Ca -0.13 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1iyg n ALA 33 Cb 0.42 -1.21 0.15 0.00 0.00 0.00 0.00 19.45 18.81 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 2.28 0.92 0.00 0.00 0.00 0.22 -3.46 119.26 119.22 1iyg h ALA 34 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1iyg h ALA 34 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iyg h ALA 34 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1iyg n GLY 35 N 0.22 0.71 0.00 0.00 0.00 -0.44 -5.07 105.19 100.61 1iyg n GLY 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iyg n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 36 N 0.00 0.00 -4.74 1.61 7.64 -0.91 -5.01 113.62 112.21 1iyg n SER 36 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1iyg s VAL 37 N 0.00 3.02 0.45 0.44 1.01 -1.23 -4.60 120.40 119.49 1iyg s VAL 37 Ca 0.00 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1iyg s VAL 37 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1iyg s VAL 37 CO 0.00 0.13 0.97 -0.44 0.00 0.00 0.00 175.10 175.77 1iyg s SER 38 N 0.30 6.76 0.15 3.32 0.01 -1.26 -4.82 113.70 118.15 1iyg s SER 38 Ca 0.57 1.73 -0.26 0.00 1.31 0.00 0.00 55.95 59.30 1iyg s SER 38 Cb -0.38 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.30 1iyg s SER 38 CO 0.40 -0.49 1.59 0.11 0.41 0.00 0.00 173.24 175.27 1iyg h LYS 39 N 1.72 -0.36 -0.99 12.44 1.57 -1.97 0.63 116.57 129.61 1iyg h LYS 39 Ca -0.49 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.48 1iyg h LYS 39 Cb 1.19 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 33.41 1iyg h LYS 39 CO 0.61 -0.24 -0.35 0.43 -0.57 0.00 0.00 179.45 179.33 1iyg n SER 40 N -5.42 -0.57 -0.14 0.86 7.64 -1.26 0.86 113.62 115.59 1iyg n SER 40 Ca -0.02 1.72 -0.12 0.00 1.01 0.00 0.00 58.87 61.47 1iyg n SER 40 Cb 0.34 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.28 0.00 0.44 2.02 -1.53 -1.83 112.91 113.29 1iyg h THR 41 Ca 0.38 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1iyg h THR 41 Cb 0.62 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1iyg h THR 41 CO -0.99 0.43 0.00 1.67 0.37 0.00 0.00 175.52 177.00 1iyg n GLN 42 N -4.25 0.00 -0.33 6.66 7.27 0.25 -0.48 117.38 126.50 1iyg n GLN 42 Ca -0.01 0.42 0.22 0.00 0.07 0.00 0.00 57.00 57.70 1iyg n GLN 42 Cb 0.41 -1.36 0.44 0.00 2.41 0.00 0.00 30.24 32.14 1iyg n GLN 42 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1iyg h PHE 43 N 0.00 0.86 0.00 3.69 3.57 0.28 0.81 116.94 126.15 1iyg h PHE 43 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1iyg h PHE 43 Cb 0.00 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1iyg h PHE 43 CO 0.07 -0.16 0.00 0.39 -2.23 0.00 0.00 178.31 176.38 1iyg n GLU 44 N -5.06 0.00 -0.34 1.11 1.02 -0.69 0.39 120.64 117.08 1iyg n GLU 44 Ca 0.30 0.18 0.19 0.00 -0.02 0.00 0.00 57.16 57.81 1iyg n GLU 44 Cb 0.92 -1.17 0.42 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.91 0.00 -0.32 3.20 -0.36 1.43 116.97 121.83 1iyg h TYR 45 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1iyg h TYR 45 Cb 0.00 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1iyg h TYR 45 CO 0.07 0.06 -0.23 0.00 -1.64 0.00 0.00 178.16 176.41 1iyg h ALA 46 N 1.70 1.48 0.00 1.82 0.00 0.68 0.10 119.26 125.04 1iyg h ALA 46 Ca 0.63 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1iyg h ALA 46 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iyg h ALA 46 CO -0.42 0.29 -0.17 2.35 0.00 0.00 0.00 179.25 181.30 1iyg h TRP 47 N 0.00 0.00 0.38 0.00 2.91 0.68 -3.20 115.95 116.71 1iyg h TRP 47 Ca -0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1iyg h TRP 47 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1iyg h TRP 47 CO 0.00 0.17 -0.18 0.00 -1.03 0.00 0.00 178.44 177.40 1iyg h LEU 49 N -0.87 -0.43 -0.96 0.00 -0.00 -1.49 0.69 115.31 112.25 1iyg h LEU 49 Ca -0.05 0.06 0.21 0.00 -0.00 0.00 0.00 57.88 58.10 1iyg h LEU 49 Cb 0.54 0.18 -0.18 0.00 -0.00 0.00 0.00 40.66 41.20 1iyg h LEU 49 CO 0.08 -0.08 -0.18 -0.37 -0.00 0.00 0.00 178.44 177.90 1iyg h VAL 50 N -0.06 0.05 -0.82 1.22 -1.51 -1.63 2.10 116.25 115.59 1iyg h VAL 50 Ca 0.02 -0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.54 1iyg h VAL 50 Cb 0.12 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 29.27 1iyg h VAL 50 CO -0.16 0.00 0.54 0.03 -1.23 0.00 0.00 177.57 176.75 1iyg h ARG 51 N 0.01 0.94 -6.23 5.19 3.08 0.02 -3.44 114.38 113.94 1iyg h ARG 51 Ca 0.49 -0.06 -0.50 0.00 0.07 0.00 0.00 59.98 59.98 1iyg h ARG 51 Cb 0.81 -0.21 0.25 0.00 0.08 0.00 0.00 29.97 30.89 1iyg h ARG 51 CO -0.96 0.62 -1.98 0.45 -1.07 0.00 0.00 179.97 177.03 1iyg n SER 52 N -4.46 -3.38 0.08 7.04 2.88 0.71 -2.60 113.62 113.88 1iyg n SER 52 Ca 0.11 0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1iyg n SER 52 Cb 0.15 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 62.86 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 1.02 0.61 -1.26 -1.46 2.85 -1.26 -4.64 118.16 114.03 1iyg n LYS 53 Ca -0.01 0.08 -0.23 0.00 -1.05 0.00 0.00 58.31 57.11 1iyg n LYS 53 Cb 0.67 -1.78 0.17 0.00 -0.65 0.00 0.00 35.03 33.43 1iyg n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1iyg n TYR 54 N -2.64 -3.91 -0.01 5.58 4.02 -1.26 -5.04 117.16 113.91 1iyg n TYR 54 Ca -0.02 -0.86 -0.02 0.00 -0.01 0.00 0.00 57.90 57.00 1iyg n TYR 54 Cb 0.58 -0.81 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 1iyg n TYR 54 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1iyg n ASN 55 N -3.89 2.18 -0.41 7.72 6.94 -1.26 -4.34 115.26 122.21 1iyg n ASN 55 Ca 0.12 0.01 0.36 0.00 -0.02 0.00 0.00 54.58 55.05 1iyg n ASN 55 Cb 0.44 -0.05 0.71 0.00 -2.36 0.00 0.00 39.78 38.53 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1iyg h GLU 56 N -0.03 0.08 0.02 -3.83 4.39 -1.99 0.39 114.58 113.61 1iyg h GLU 56 Ca -0.05 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1iyg h GLU 56 Cb 1.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1iyg h GLU 56 CO -0.02 0.05 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.31 1iyg h ASP 57 N 0.08 0.08 -0.86 1.42 3.32 -1.90 -3.31 116.42 115.24 1iyg h ASP 57 Ca 0.67 -0.98 0.22 0.00 0.02 0.00 0.00 57.03 56.96 1iyg h ASP 57 Cb 2.44 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 41.80 1iyg h ASP 57 CO -0.12 1.05 -0.06 -0.38 -1.72 0.00 0.00 179.24 178.02 1iyg n ILE 58 N -4.54 -0.36 -0.29 0.35 5.41 0.13 0.21 119.36 120.27 1iyg n ILE 58 Ca -0.11 1.93 0.06 0.00 1.00 0.00 0.00 62.75 65.63 1iyg n ILE 58 Cb 0.53 -2.77 0.16 0.00 -0.71 0.00 0.00 39.64 36.86 1iyg n ILE 58 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1iyg h ARG 59 N 0.00 0.04 0.18 0.38 2.47 -1.50 -1.39 114.38 114.57 1iyg h ARG 59 Ca 0.49 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 1iyg h ARG 59 Cb 0.94 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1iyg h ARG 59 CO -0.84 0.03 -0.18 0.00 0.56 0.00 0.00 179.97 179.55 1iyg h ARG 60 N 0.05 -0.34 -1.72 0.04 -0.00 0.22 0.12 114.38 112.74 1iyg h ARG 60 Ca 0.44 0.02 0.50 0.00 -0.50 0.00 0.00 59.98 60.45 1iyg h ARG 60 Cb 0.78 0.08 -0.07 0.00 0.00 0.00 0.00 29.97 30.75 1iyg h ARG 60 CO -0.79 -0.23 1.32 0.41 0.00 0.00 0.00 179.97 180.68 1iyg n GLY 61 N -1.20 -0.90 0.01 0.04 0.00 -0.61 0.30 105.19 102.83 1iyg n GLY 61 Ca -0.04 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 0.00 -0.80 -0.61 2.04 -0.38 -1.41 117.51 116.36 1iyg h ILE 62 Ca 0.82 -0.05 0.16 0.00 1.00 0.00 0.00 64.86 66.78 1iyg h ILE 62 Cb 3.44 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 39.37 1iyg h ILE 62 CO -0.01 0.00 -0.22 -0.37 0.00 0.00 0.00 178.15 177.55 1iyg h VAL 63 N -0.06 0.18 0.01 1.67 -1.51 0.11 3.68 116.25 120.32 1iyg h VAL 63 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1iyg h VAL 63 Cb 0.01 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.35 1iyg h VAL 63 CO 0.00 0.00 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.27 1iyg h LEU 64 N -0.01 -0.01 -1.73 4.19 3.38 -0.30 0.66 115.31 121.48 1iyg h LEU 64 Ca 0.37 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.61 1iyg h LEU 64 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1iyg h LEU 64 CO -0.83 -0.01 0.68 -0.07 0.09 0.00 0.00 178.44 178.31 1iyg h LEU 65 N -0.01 0.20 -1.77 1.67 3.38 -0.39 1.71 115.31 120.10 1iyg h LEU 65 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1iyg h LEU 65 Cb 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iyg h LEU 65 CO 0.00 0.06 -0.12 -0.33 0.09 0.00 0.00 178.44 178.13 1iyg h GLU 66 N 0.19 0.00 0.03 1.13 5.08 0.75 0.39 114.58 122.15 1iyg h GLU 66 Ca 0.50 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.60 1iyg h GLU 66 Cb 1.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 1iyg h GLU 66 CO -0.12 0.12 -1.39 0.93 -1.00 0.00 0.00 179.01 177.56 1iyg h GLU 67 N 0.00 0.07 0.00 2.33 5.08 0.49 -3.27 114.58 119.28 1iyg h GLU 67 Ca -0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1iyg h GLU 67 Cb 0.42 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1iyg h GLU 67 CO 0.02 0.86 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.68 1iyg h LEU 68 N 0.02 0.00 -0.09 1.33 3.38 -0.68 -2.93 115.31 116.34 1iyg h LEU 68 Ca -0.17 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1iyg h LEU 68 Cb 1.92 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.62 1iyg h LEU 68 CO 0.12 0.14 -0.39 -0.07 0.09 0.00 0.00 178.44 178.33 1iyg h LEU 69 N 0.00 -1.25 -0.68 1.67 -0.00 -0.99 0.93 115.31 114.98 1iyg h LEU 69 Ca -0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1iyg h LEU 69 Cb 1.06 0.49 -0.01 0.00 -0.00 0.00 0.00 40.66 42.20 1iyg h LEU 69 CO 0.02 -0.35 -0.20 1.55 -0.00 0.00 0.00 178.44 179.46 1iyg h PRO 70 N -0.43 0.00 -0.99 1.13 0.13 -1.74 -2.90 132.00 127.20 1iyg h PRO 70 Ca 0.02 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.71 1iyg h PRO 70 Cb 0.49 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.36 1iyg h PRO 70 CO -0.32 0.20 0.56 1.63 -0.23 0.00 0.00 178.00 179.84 1iyg n LYS 71 N -3.24 2.15 0.00 0.86 5.02 -0.54 -4.87 118.16 117.54 1iyg n LYS 71 Ca 0.01 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 1iyg n LYS 71 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -0.90 1.62 2.04 0.72 0.00 0.31 -4.82 105.19 104.16 1iyg n GLY 72 Ca 0.52 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.83 0.00 1.61 7.64 -1.26 -5.04 113.62 115.73 1iyg n SER 73 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1iyg n SER 73 Cb 0.00 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iyg n LYS 74 N -2.96 0.00 0.00 1.43 5.02 -1.26 -4.91 118.16 115.48 1iyg n LYS 74 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1iyg n LYS 74 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 35.41 1iyg n LYS 74 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyg n GLU 75 N -1.37 0.10 0.05 1.97 1.02 -1.26 -3.02 120.64 118.13 1iyg n GLU 75 Ca 0.00 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1iyg n GLU 75 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 1iyg n GLU 75 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1iyg h GLU 76 N 0.00 -0.17 -0.98 3.49 4.39 -1.97 -3.14 114.58 116.21 1iyg h GLU 76 Ca 0.00 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.94 1iyg h GLU 76 Cb 0.24 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 1iyg h GLU 76 CO 0.00 0.29 0.63 1.96 -1.16 0.00 0.00 179.01 180.73 1iyg h GLN 77 N -0.74 0.43 -0.02 2.33 4.20 -1.85 0.86 115.11 120.33 1iyg h GLN 77 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1iyg h GLN 77 Cb 0.53 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1iyg h GLN 77 CO 0.03 0.28 -0.04 0.00 -0.67 0.00 0.00 178.83 178.44 1iyg h ARG 78 N 0.44 0.03 0.00 1.46 -0.00 -1.65 0.26 114.38 114.92 1iyg h ARG 78 Ca 0.53 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.01 1iyg h ARG 78 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.25 1iyg h ARG 78 CO -0.24 0.07 -0.57 -0.44 0.00 0.00 0.00 179.97 178.78 1iyg h ASP 79 N 0.03 0.00 0.00 7.04 5.19 0.71 -3.30 116.42 126.09 1iyg h ASP 79 Ca 0.01 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1iyg h ASP 79 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1iyg h ASP 79 CO 0.00 0.07 -0.02 1.88 -3.12 0.00 0.00 179.24 178.06 1iyg h TYR 80 N 0.00 0.00 -0.89 4.55 0.05 0.68 -3.35 116.97 118.01 1iyg h TYR 80 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 1iyg h TYR 80 Cb 0.80 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.39 1iyg h TYR 80 CO 0.00 0.00 -0.31 0.28 -1.05 0.00 0.00 178.16 177.08 1iyg n VAL 81 N -2.29 -0.44 -0.33 -2.88 0.31 0.64 0.19 118.33 113.52 1iyg n VAL 81 Ca -0.00 2.08 0.20 0.00 -0.01 0.00 0.00 64.34 66.60 1iyg n VAL 81 Cb 0.01 -2.78 0.39 0.00 -0.91 0.00 0.00 33.84 30.55 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 0.26 0.00 3.52 3.57 -1.76 0.16 116.94 122.69 1iyg h PHE 82 Ca 0.34 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1iyg h PHE 82 Cb 0.57 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1iyg h PHE 82 CO -0.75 -0.44 -0.00 1.88 -2.23 0.00 0.00 178.31 176.77 1iyg h TYR 83 N 0.02 -0.01 -0.99 0.41 -1.99 0.19 -2.73 116.97 111.87 1iyg h TYR 83 Ca 0.68 -0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.77 1iyg h TYR 83 Cb 1.56 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 40.12 1iyg h TYR 83 CO -0.33 0.87 0.44 -0.07 -0.00 0.00 0.00 178.16 179.07 1iyg h LEU 84 N -0.92 0.22 0.28 3.88 4.07 0.14 0.43 115.31 123.41 1iyg h LEU 84 Ca -0.00 0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 1iyg h LEU 84 Cb 0.88 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1iyg h LEU 84 CO 0.00 -0.33 -0.14 0.00 -1.08 0.00 0.00 178.44 176.89 1iyg h ALA 85 N 1.95 -0.38 -0.96 1.53 0.00 -0.88 -0.16 119.26 120.36 1iyg h ALA 85 Ca 0.76 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.65 1iyg h ALA 85 Cb 1.87 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 19.64 1iyg h ALA 85 CO -0.75 -0.44 -0.34 0.28 0.00 0.00 0.00 179.25 178.01 1iyg h VAL 86 N -0.93 0.02 -0.03 0.00 2.07 0.02 1.60 116.25 119.00 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 0.06 0.00 0.01 1.23 0.02 0.00 0.00 177.57 178.89 1iyg h GLY 87 N -0.01 0.05 0.39 2.17 0.00 -0.68 -2.48 103.07 102.50 1iyg h GLY 87 Ca 0.38 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.72 1iyg h GLY 87 CO -0.97 0.03 -0.14 3.43 0.00 0.00 0.00 176.54 178.90 1iyg h ASN 88 N -0.16 -0.44 -0.59 0.19 2.35 0.15 -1.72 115.58 115.36 1iyg h ASN 88 Ca 0.01 0.10 0.12 0.00 -0.55 0.00 0.00 56.30 55.98 1iyg h ASN 88 Cb 0.22 0.23 -0.11 0.00 0.05 0.00 0.00 38.32 38.72 1iyg h ASN 88 CO -0.00 -0.17 -0.11 0.22 -1.65 0.00 0.00 177.43 175.71 1iyg h TYR 89 N -0.13 -0.25 -0.83 1.19 3.20 0.22 0.59 116.97 120.96 1iyg h TYR 89 Ca 0.12 0.05 0.21 0.00 3.14 0.00 0.00 58.73 62.26 1iyg h TYR 89 Cb 0.31 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1iyg h TYR 89 CO -0.30 -0.24 0.57 -0.09 -1.64 0.00 0.00 178.16 176.47 1iyg h ARG 90 N 0.02 0.18 -0.77 1.82 1.12 -0.85 1.53 114.38 117.43 1iyg h ARG 90 Ca 0.29 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.15 1iyg h ARG 90 Cb 0.45 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1iyg h ARG 90 CO -0.59 0.12 0.00 1.28 -3.11 0.00 0.00 179.97 177.67 1iyg n LEU 91 N -4.40 3.03 -1.17 3.80 4.32 0.19 -4.82 117.00 117.96 1iyg n LEU 91 Ca 0.17 -1.53 -0.12 0.00 -0.02 0.00 0.00 56.01 54.50 1iyg n LEU 91 Cb 0.77 -0.56 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1iyg n LEU 91 CO 0.35 0.42 -0.12 2.29 -1.22 0.00 0.00 177.39 179.11 1iyg n LYS 92 N 0.30 -1.47 -0.97 3.23 2.85 0.52 -4.78 118.16 117.85 1iyg n LYS 92 Ca 0.12 0.81 -0.13 0.00 -1.05 0.00 0.00 58.31 58.06 1iyg n LYS 92 Cb 0.65 -5.04 -0.07 0.00 -0.65 0.00 0.00 35.03 29.92 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 -1.48 1.81 -0.34 -1.58 -0.58 -0.38 -4.66 120.64 113.42 1iyg n GLU 93 Ca -0.12 -1.16 0.02 0.00 -0.42 0.00 0.00 57.16 55.48 1iyg n GLU 93 Cb 0.48 -1.72 0.08 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.52 0.16 0.00 -0.32 4.01 -1.26 -0.57 117.16 120.69 1iyg n TYR 94 Ca 0.32 1.13 0.00 0.00 -0.16 0.00 0.00 57.90 59.19 1iyg n TYR 94 Cb 0.68 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 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 -5.42 0.00 -0.00 -0.72 1.02 -1.26 0.19 120.64 114.44 1iyg n GLU 95 Ca 0.12 0.76 -0.09 0.00 -0.02 0.00 0.00 57.16 57.93 1iyg n GLU 95 Cb 0.41 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iyg h LYS 96 N 0.00 -0.20 -0.71 3.49 1.79 -1.65 0.23 116.57 119.51 1iyg h LYS 96 Ca 0.00 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 1iyg h LYS 96 Cb 0.00 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 30.60 1iyg h LYS 96 CO 0.00 -0.13 -0.52 0.00 -1.08 0.00 0.00 179.45 177.72 1iyg h ALA 97 N 0.84 -0.58 0.59 3.86 0.00 0.89 0.32 119.26 125.18 1iyg h ALA 97 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1iyg h ALA 97 Cb 0.35 1.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1iyg h ALA 97 CO -0.26 -0.91 -0.49 -0.07 0.00 0.00 0.00 179.25 177.52 1iyg h LEU 98 N -0.12 -1.32 -1.88 0.00 -0.00 0.26 1.65 115.31 113.89 1iyg h LEU 98 Ca 0.12 0.10 0.55 0.00 -0.00 0.00 0.00 57.88 58.64 1iyg h LEU 98 Cb 0.43 0.42 -0.08 0.00 -0.00 0.00 0.00 40.66 41.43 1iyg h LEU 98 CO -0.74 -0.69 1.38 0.29 -0.00 0.00 0.00 178.44 178.69 1iyg n LYS 99 N -5.58 0.00 -0.06 1.13 5.02 0.75 0.30 118.16 119.72 1iyg n LYS 99 Ca -0.13 1.05 -0.18 0.00 -2.02 0.00 0.00 58.31 57.03 1iyg n LYS 99 Cb 0.47 -2.44 -0.13 0.00 -0.02 0.00 0.00 35.03 32.91 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 -3.83 0.64 0.42 2.13 4.01 0.99 -3.22 117.16 118.30 1iyg n TYR 100 Ca 0.42 0.15 0.13 0.00 -0.16 0.00 0.00 57.90 58.44 1iyg n TYR 100 Cb 1.95 -1.09 0.48 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 h VAL 101 N 0.03 0.00 0.00 -0.72 2.07 1.44 -1.47 116.25 117.60 1iyg h VAL 101 Ca -0.48 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1iyg h VAL 101 Cb 2.00 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1iyg h VAL 101 CO 0.01 0.00 -0.44 0.03 0.02 0.00 0.00 177.57 177.20 1iyg h ARG 102 N 0.00 0.00 0.00 1.57 2.47 0.45 -2.98 114.38 115.88 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 0.52 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1iyg h ARG 102 CO 0.00 0.28 -0.03 0.78 0.56 0.00 0.00 179.97 181.56 1iyg h GLY 103 N -1.00 0.00 1.04 0.04 0.00 -1.57 0.83 103.07 102.41 1iyg h GLY 103 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1iyg h GLY 103 CO -0.04 0.00 -0.82 -2.00 0.00 0.00 0.00 176.54 173.68 1iyg h LEU 104 N 0.00 0.78 -1.12 3.11 7.12 -1.41 -3.12 115.31 120.66 1iyg h LEU 104 Ca -0.00 -0.72 -0.09 0.00 0.13 0.00 0.00 57.88 57.20 1iyg h LEU 104 Cb 0.06 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1iyg h LEU 104 CO 0.00 1.39 -0.41 -0.07 -0.13 0.00 0.00 178.44 179.22 1iyg h LEU 105 N 0.24 0.00 -0.12 2.25 3.38 -1.10 0.32 115.31 120.28 1iyg h LEU 105 Ca -0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1iyg h LEU 105 Cb 1.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 1iyg h LEU 105 CO 0.16 0.41 -0.30 -0.61 0.09 0.00 0.00 178.44 178.19 1iyg h GLN 106 N 0.00 -0.37 -0.01 1.13 4.15 -0.82 0.56 115.11 119.75 1iyg h GLN 106 Ca -0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1iyg h GLN 106 Cb 0.79 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1iyg h GLN 106 CO 0.05 -0.24 -0.20 -2.37 -1.93 0.00 0.00 178.83 174.14 1iyg n THR 107 N -5.40 0.00 -3.16 2.39 5.66 -1.18 -4.32 114.28 108.27 1iyg n THR 107 Ca -0.03 -0.17 -0.21 0.00 -3.05 0.00 0.00 64.05 60.58 1iyg n THR 107 Cb 0.31 0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 69.54 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 -0.38 0.80 0.08 1.09 -0.58 0.09 -4.93 120.64 116.82 1iyg n GLU 108 Ca 0.14 -3.19 -0.08 0.00 -0.42 0.00 0.00 57.16 53.61 1iyg n GLU 108 Cb 0.36 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.89 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 3.68 0.21 0.00 3.49 0.13 -0.14 -2.96 132.00 136.41 1iyg h PRO 109 Ca 0.07 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1iyg h PRO 109 Cb 0.92 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1iyg h PRO 109 CO 0.46 0.91 0.00 -0.56 -0.23 0.00 0.00 178.00 178.58 1iyg h GLN 110 N 0.13 0.00 -6.13 0.86 3.07 -1.92 -3.43 115.11 107.69 1iyg h GLN 110 Ca -0.03 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.14 1iyg h GLN 110 Cb 1.40 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.97 1iyg h GLN 110 CO 0.12 0.00 1.39 1.21 0.09 0.00 0.00 178.83 181.64 1iyg s ASN 111 N -5.50 5.84 0.08 0.06 3.84 -1.12 -4.83 114.94 113.31 1iyg s ASN 111 Ca 0.01 2.18 -0.09 0.00 0.21 0.00 0.00 52.86 55.17 1iyg s ASN 111 Cb 0.09 -2.52 -0.24 0.00 -0.55 0.00 0.00 41.25 38.03 1iyg s ASN 111 CO 0.52 -1.61 1.16 0.78 -2.79 0.00 0.00 177.10 175.17 1iyg h ASN 112 N 13.31 0.67 -0.78 -4.21 2.35 -1.89 -2.74 115.58 122.29 1iyg h ASN 112 Ca -0.44 -0.63 0.13 0.00 -0.55 0.00 0.00 56.30 54.82 1iyg h ASN 112 Cb 1.24 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 1iyg h ASN 112 CO 0.95 1.45 0.51 1.56 -1.65 0.00 0.00 177.43 180.26 1iyg h GLN 113 N 0.21 0.51 0.07 0.81 4.20 -1.94 0.03 115.11 119.00 1iyg h GLN 113 Ca -0.15 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.26 1iyg h GLN 113 Cb 1.85 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 29.54 1iyg h GLN 113 CO 0.21 0.34 -1.09 0.00 -0.67 0.00 0.00 178.83 177.62 1iyg h ALA 114 N 1.63 0.04 0.01 3.87 0.00 -1.91 -3.06 119.26 119.84 1iyg h ALA 114 Ca 0.38 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1iyg h ALA 114 Cb 0.73 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1iyg h ALA 114 CO -0.14 0.63 -0.54 0.87 0.00 0.00 0.00 179.25 180.07 1iyg h LYS 115 N 0.24 -0.66 -0.21 0.00 1.57 -0.72 -0.36 116.57 116.42 1iyg h LYS 115 Ca -0.16 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1iyg h LYS 115 Cb 1.77 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 34.16 1iyg h LYS 115 CO 0.21 -0.44 -0.45 0.93 -0.57 0.00 0.00 179.45 179.13 1iyg h GLU 116 N -0.68 -0.45 -0.64 3.15 5.08 -1.36 -2.06 114.58 117.62 1iyg h GLU 116 Ca 0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1iyg h GLU 116 Cb 0.73 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1iyg h GLU 116 CO -0.35 -0.30 -0.43 -0.07 -1.00 0.00 0.00 179.01 176.86 1iyg h LEU 117 N -0.46 -1.54 -0.90 1.33 3.38 -1.31 1.56 115.31 117.37 1iyg h LEU 117 Ca 0.08 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.40 1iyg h LEU 117 Cb 0.63 0.67 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 1iyg h LEU 117 CO -0.46 -0.19 -0.43 1.21 0.09 0.00 0.00 178.44 178.66 1iyg n GLU 118 N -4.64 -0.29 -0.00 1.13 0.00 -0.20 0.49 120.64 117.13 1iyg n GLU 118 Ca 0.01 1.37 -0.12 0.00 0.00 0.00 0.00 57.16 58.42 1iyg n GLU 118 Cb 0.20 -2.03 -0.08 0.00 0.00 0.00 0.00 31.44 29.54 1iyg n GLU 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iyg h ARG 119 N 0.00 0.07 -0.81 5.31 3.08 -0.25 0.64 114.38 122.42 1iyg h ARG 119 Ca 0.24 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.46 1iyg h ARG 119 Cb 0.47 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.36 1iyg h ARG 119 CO -0.87 0.29 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.21 1iyg h LEU 120 N -0.16 -0.46 -0.64 3.04 3.38 0.60 1.24 115.31 122.30 1iyg h LEU 120 Ca 0.01 0.22 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1iyg h LEU 120 Cb 0.25 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1iyg h LEU 120 CO 0.00 -0.23 -0.55 0.40 0.09 0.00 0.00 178.44 178.16 1iyg h ILE 121 N 0.07 1.35 -0.51 1.22 2.04 0.23 -0.79 117.51 121.12 1iyg h ILE 121 Ca 0.44 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1iyg h ILE 121 Cb 0.78 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1iyg h ILE 121 CO -0.75 0.55 0.32 -0.78 0.00 0.00 0.00 178.15 177.49 1iyg h ASP 122 N 0.29 0.59 0.11 1.72 1.82 0.36 0.18 116.42 121.50 1iyg h ASP 122 Ca 0.01 -0.02 -0.20 0.00 -0.39 0.00 0.00 57.03 56.42 1iyg h ASP 122 Cb 1.05 -0.15 0.02 0.00 0.68 0.00 0.00 39.33 40.93 1iyg h ASP 122 CO 0.09 0.45 -0.85 0.50 -1.61 0.00 0.00 179.24 177.82 1iyg h LYS 123 N 0.69 0.39 -0.08 0.28 3.64 0.35 -3.18 116.57 118.66 1iyg h LYS 123 Ca 0.18 -0.56 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1iyg h LYS 123 Cb -0.05 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1iyg h LYS 123 CO -0.04 1.24 -0.34 0.00 -2.27 0.00 0.00 179.45 178.04 1iyg h ALA 124 N 0.18 -0.45 -0.60 5.00 0.00 -0.56 0.57 119.26 123.40 1iyg h ALA 124 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1iyg h ALA 124 Cb 1.62 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 19.93 1iyg h ALA 124 CO 0.16 -0.84 -0.20 0.52 0.00 0.00 0.00 179.25 178.89 1iyg h MET 125 N -0.45 -0.05 -0.21 0.00 2.86 -1.08 0.56 114.93 116.56 1iyg h MET 125 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1iyg h MET 125 Cb 0.57 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1iyg h MET 125 CO -0.33 -0.03 0.12 0.87 1.06 0.00 0.00 176.91 178.59 1iyg h LYS 126 N -0.05 0.30 -0.09 1.72 1.79 -1.28 -2.89 116.57 116.07 1iyg h LYS 126 Ca 0.28 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.76 1iyg h LYS 126 Cb 0.49 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 1iyg h LYS 126 CO -0.65 0.28 -0.30 0.87 -1.08 0.00 0.00 179.45 178.57 1iyg h LYS 127 N 0.24 -0.39 -3.45 3.15 1.57 0.23 -3.43 116.57 114.50 1iyg h LYS 127 Ca 0.08 0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 1iyg h LYS 127 Cb 0.06 0.09 -0.22 0.00 0.08 0.00 0.00 32.23 32.24 1iyg h LYS 127 CO -0.01 -0.26 -0.49 0.45 -0.57 0.00 0.00 179.45 178.57 1iyg s SER 128 N -4.91 -0.03 0.36 0.86 0.15 0.17 -5.08 113.70 105.22 1iyg s SER 128 Ca -0.15 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1iyg s SER 128 Cb 0.10 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1iyg s SER 128 CO 0.66 -0.30 0.22 0.61 1.20 0.00 0.00 173.24 175.63 1iyg n GLY 129 N 1.80 3.04 3.79 9.45 0.00 -1.23 -3.84 105.19 118.20 1iyg n GLY 129 Ca -0.20 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.46 1.13 -0.26 1.61 0.04 -1.26 -5.08 135.00 127.72 1iyg s PRO 130 Ca 0.17 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 1iyg s PRO 130 Cb -0.01 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.83 1iyg s PRO 130 CO 0.11 -2.20 0.50 0.45 0.04 0.00 0.00 177.00 175.89 1iyg s SER 131 N -4.02 -0.61 0.00 6.66 0.15 -1.26 -4.98 113.70 109.64 1iyg s SER 131 Ca 0.64 0.78 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1iyg s SER 131 Cb -0.15 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1iyg s SER 131 CO 0.53 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 173.51 1iyg n SER 132 N 5.40 0.00 0.00 5.45 7.64 -1.26 -5.31 113.62 125.54 1iyg n SER 132 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1iyg n SER 132 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64