#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 -5.27 -3.64 1.61 7.64 -1.26 -5.04 113.62 107.67 1iyg n SER 2 Ca 0.00 1.05 -0.10 0.00 1.01 0.00 0.00 58.87 60.83 1iyg n SER 2 Cb 0.00 -3.22 -0.07 0.00 -1.01 0.00 0.00 64.21 59.91 1iyg n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1iyg s SER 3 N -0.61 -0.82 0.00 6.43 0.15 -1.26 -5.14 113.70 112.45 1iyg s SER 3 Ca -0.09 1.42 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1iyg s SER 3 Cb 0.01 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 1iyg s SER 3 CO 0.35 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1iyg n GLY 4 N 3.54 3.83 3.90 9.45 0.00 -1.26 -5.14 105.19 119.51 1iyg n GLY 4 Ca -0.17 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1iyg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iyg s SER 5 N 0.00 4.83 0.01 1.61 0.15 -1.26 -5.05 113.70 113.99 1iyg s SER 5 Ca 0.00 0.83 -0.00 0.00 0.70 0.00 0.00 55.95 57.48 1iyg s SER 5 Cb 0.00 -1.44 -0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1iyg s SER 5 CO 0.00 -1.69 -0.00 -1.54 1.20 0.00 0.00 173.24 171.21 1iyg n SER 6 N -3.16 0.09 0.00 5.45 3.41 -1.26 -5.13 113.62 113.03 1iyg n SER 6 Ca 0.08 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1iyg n SER 6 Cb 0.60 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 3.48 0.76 1.42 5.00 0.00 -1.26 -4.39 105.19 110.19 1iyg n GLY 7 Ca -0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.21 1.61 1.56 -1.26 -4.36 117.12 114.87 1iyg n MET 8 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 57.70 57.56 1iyg n MET 8 Cb 0.00 -0.30 0.70 0.00 2.15 0.00 0.00 33.22 35.77 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 0.03 2.12 4.81 -1.96 0.24 114.58 119.81 1iyg h GLU 9 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 1iyg h GLU 9 Cb 0.26 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1iyg h GLU 9 CO 0.00 0.00 -2.28 0.00 -0.73 0.00 0.00 179.01 176.00 1iyg n ALA 10 N -1.82 1.34 0.05 2.92 0.00 -1.26 -3.12 120.51 118.62 1iyg n ALA 10 Ca -0.02 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 1iyg n ALA 10 Cb 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 0.02 1.08 -0.67 0.00 2.07 -1.18 0.18 116.25 117.74 1iyg h VAL 11 Ca -0.51 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 1iyg h VAL 11 Cb 2.02 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 1iyg h VAL 11 CO -0.01 0.14 0.16 -0.07 0.02 0.00 0.00 177.57 177.81 1iyg h LEU 12 N -0.37 1.02 0.00 2.57 3.38 -0.84 -3.30 115.31 117.77 1iyg h LEU 12 Ca -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1iyg h LEU 12 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1iyg h LEU 12 CO 0.02 0.99 0.00 0.59 0.09 0.00 0.00 178.44 180.13 1iyg n ASN 13 N -4.27 0.00 -4.59 -0.43 3.02 -1.14 -4.67 115.26 103.17 1iyg n ASN 13 Ca 0.04 0.66 -0.48 0.00 -0.03 0.00 0.00 54.58 54.77 1iyg n ASN 13 Cb 0.26 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.02 1.28 -4.34 3.52 2.13 0.61 -4.97 120.64 117.85 1iyg n GLU 14 Ca 0.00 0.46 -0.27 0.00 0.66 0.00 0.00 57.16 58.01 1iyg n GLU 14 Cb 0.00 -1.99 -0.10 0.00 0.27 0.00 0.00 31.44 29.62 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1iyg s LEU 15 N 0.58 2.76 0.00 4.31 0.05 -1.26 -4.79 118.68 120.32 1iyg s LEU 15 Ca 0.73 -0.68 -0.19 0.00 0.05 0.00 0.00 54.13 54.05 1iyg s LEU 15 Cb -0.83 -1.47 0.29 0.00 -2.05 0.00 0.00 46.19 42.12 1iyg s LEU 15 CO 0.51 0.12 0.65 0.55 -0.55 0.00 0.00 176.35 177.63 1iyg n VAL 16 N 0.18 0.00 -4.15 1.48 3.14 0.34 -4.92 118.33 114.40 1iyg n VAL 16 Ca -0.12 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.07 1iyg n VAL 16 Cb 0.55 -0.74 -0.16 0.00 -1.06 0.00 0.00 33.84 32.43 1iyg n VAL 16 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1iyg s SER 17 N -2.62 0.82 0.24 6.55 0.01 -1.26 -4.63 113.70 112.81 1iyg s SER 17 Ca 0.50 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.50 1iyg s SER 17 Cb -0.09 -0.35 0.29 0.00 0.21 0.00 0.00 66.02 66.08 1iyg s SER 17 CO 0.42 -0.03 1.56 1.62 0.41 0.00 0.00 173.24 177.22 1iyg h VAL 18 N 5.96 0.01 -0.70 3.43 3.04 -1.96 1.41 116.25 127.44 1iyg h VAL 18 Ca -0.37 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.43 1iyg h VAL 18 Cb 1.16 0.01 -0.13 0.00 -2.01 0.00 0.00 31.29 30.32 1iyg h VAL 18 CO 0.48 0.00 -0.35 -0.08 -1.01 0.00 0.00 177.57 176.61 1iyg h GLU 19 N -0.01 -0.12 0.11 4.17 4.81 -1.99 0.72 114.58 122.28 1iyg h GLU 19 Ca 0.38 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1iyg h GLU 19 Cb 0.63 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1iyg h GLU 19 CO -0.98 -0.08 -0.05 -0.44 -0.73 0.00 0.00 179.01 176.72 1iyg h ASP 20 N -0.12 -0.13 -1.00 1.04 3.32 -0.34 -2.04 116.42 117.15 1iyg h ASP 20 Ca 0.26 -0.37 0.36 0.00 0.02 0.00 0.00 57.03 57.30 1iyg h ASP 20 Cb 0.56 0.03 -0.16 0.00 0.22 0.00 0.00 39.33 39.98 1iyg h ASP 20 CO -0.76 0.33 0.53 0.25 -1.72 0.00 0.00 179.24 177.86 1iyg h LEU 21 N -0.62 0.38 0.25 1.55 7.12 0.28 0.55 115.31 124.81 1iyg h LEU 21 Ca -0.02 0.23 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 1iyg h LEU 21 Cb 0.49 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1iyg h LEU 21 CO 0.03 -0.28 -0.12 0.11 -0.13 0.00 0.00 178.44 178.05 1iyg h LYS 22 N 0.17 -0.32 -1.46 1.25 1.79 0.55 1.34 116.57 119.88 1iyg h LYS 22 Ca 0.78 0.02 0.42 0.00 -2.18 0.00 0.00 60.65 59.69 1iyg h LYS 22 Cb 1.90 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 32.56 1iyg h LYS 22 CO -0.69 0.03 1.07 -0.91 -1.08 0.00 0.00 179.45 177.88 1iyg h ASN 23 N -0.77 0.00 0.00 0.86 4.21 0.73 0.32 115.58 120.93 1iyg h ASN 23 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1iyg h ASN 23 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1iyg h ASN 23 CO 0.06 0.00 -0.59 0.49 -1.29 0.00 0.00 177.43 176.10 1iyg n PHE 24 N -4.04 0.54 -0.46 1.19 3.01 0.04 -3.35 117.46 114.40 1iyg n PHE 24 Ca 0.32 0.24 0.41 0.00 1.01 0.00 0.00 57.45 59.43 1iyg n PHE 24 Cb 1.53 -0.62 0.68 0.00 -0.01 0.00 0.00 39.48 41.06 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 -0.87 0.00 0.02 -1.08 4.81 0.25 0.39 114.58 118.10 1iyg h GLU 25 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iyg h GLU 25 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1iyg h GLU 25 CO 0.00 0.00 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.18 1iyg h ARG 26 N 0.00 -0.03 -0.71 1.92 2.43 -0.57 -2.64 114.38 114.78 1iyg h ARG 26 Ca 0.71 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 60.02 1iyg h ARG 26 Cb 3.22 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 32.64 1iyg h ARG 26 CO -0.01 0.10 -0.26 -0.22 -1.51 0.00 0.00 179.97 178.08 1iyg h LYS 27 N -1.00 -0.06 0.65 0.20 3.64 -0.33 1.56 116.57 121.23 1iyg h LYS 27 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1iyg h LYS 27 Cb 0.14 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1iyg h LYS 27 CO 0.00 -0.04 -0.50 0.35 -2.27 0.00 0.00 179.45 177.00 1iyg h PHE 28 N -0.06 -1.36 -0.70 1.91 3.57 -1.13 -0.66 116.94 118.52 1iyg h PHE 28 Ca 0.31 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1iyg h PHE 28 Cb 0.55 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1iyg h PHE 28 CO -0.63 -0.70 0.33 1.96 -2.23 0.00 0.00 178.31 177.03 1iyg h GLN 29 N -1.11 0.54 -0.96 1.11 4.20 -0.83 1.62 115.11 119.68 1iyg h GLN 29 Ca -0.09 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.73 1iyg h GLN 29 Cb 0.92 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.49 1iyg h GLN 29 CO 0.02 0.36 0.58 1.03 -0.67 0.00 0.00 178.83 180.14 1iyg h SER 30 N 0.55 0.80 1.12 1.46 0.87 0.25 1.01 113.55 119.61 1iyg h SER 30 Ca 0.35 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.89 1iyg h SER 30 Cb 0.41 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1iyg h SER 30 CO -0.29 0.39 -0.93 -0.33 -0.53 0.00 0.00 176.83 175.14 1iyg h GLU 31 N 0.86 0.00 0.28 2.24 4.39 0.62 -2.87 114.58 120.10 1iyg h GLU 31 Ca 0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 1iyg h GLU 31 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1iyg h GLU 31 CO -0.31 0.23 -0.13 0.37 -1.16 0.00 0.00 179.01 178.01 1iyg h GLN 32 N 0.00 -0.36 0.00 2.33 4.15 0.46 -1.95 115.11 119.74 1iyg h GLN 32 Ca -0.06 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1iyg h GLN 32 Cb 1.32 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1iyg h GLN 32 CO 0.03 -0.24 0.00 0.00 -1.93 0.00 0.00 178.83 176.69 1iyg h ALA 33 N -1.18 1.00 0.00 3.38 0.00 0.77 -0.92 119.26 122.31 1iyg h ALA 33 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1iyg h ALA 33 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1iyg h ALA 33 CO 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 1iyg h ALA 34 N 2.08 1.49 0.00 0.00 0.00 -1.51 -3.45 119.26 117.87 1iyg h ALA 34 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1iyg h ALA 34 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iyg h ALA 34 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1iyg n GLY 35 N -0.87 0.85 0.00 0.00 0.00 -0.36 -5.07 105.19 99.74 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 -4.19 1.61 7.64 -0.76 -5.03 113.62 112.89 1iyg n SER 36 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1iyg n SER 36 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1iyg n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iyg s VAL 37 N -1.09 1.11 0.63 0.44 0.11 -1.05 -4.41 120.40 116.14 1iyg s VAL 37 Ca 0.00 -1.56 -0.12 0.00 -2.93 0.00 0.00 61.98 57.37 1iyg s VAL 37 Cb 0.00 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 1iyg s VAL 37 CO 0.00 -0.41 1.04 -0.44 -3.33 0.00 0.00 175.10 171.95 1iyg s SER 38 N -2.23 5.98 0.24 3.54 0.01 -1.26 -4.95 113.70 115.03 1iyg s SER 38 Ca 0.04 1.52 -0.05 0.00 1.31 0.00 0.00 55.95 58.77 1iyg s SER 38 Cb -0.06 -2.49 0.35 0.00 0.21 0.00 0.00 66.02 64.04 1iyg s SER 38 CO 0.02 -1.03 1.82 0.07 0.41 0.00 0.00 173.24 174.53 1iyg h LYS 39 N -0.26 0.81 0.00 12.44 2.10 -1.98 -2.77 116.57 126.90 1iyg h LYS 39 Ca -0.44 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1iyg h LYS 39 Cb 1.20 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1iyg h LYS 39 CO 0.60 0.53 0.00 0.43 -2.00 0.00 0.00 179.45 179.01 1iyg n SER 40 N -4.71 0.00 -0.33 7.07 7.64 -1.26 0.23 113.62 122.26 1iyg n SER 40 Ca 0.12 0.21 0.07 0.00 1.01 0.00 0.00 58.87 60.29 1iyg n SER 40 Cb 0.23 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.09 -0.00 0.44 2.02 -1.96 0.18 112.91 113.67 1iyg h THR 41 Ca 0.00 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1iyg h THR 41 Cb 0.00 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.44 1iyg h THR 41 CO 0.00 0.00 -0.40 -0.61 0.37 0.00 0.00 175.52 174.88 1iyg h GLN 42 N 0.01 -0.49 -0.64 6.66 4.15 -0.66 -0.01 115.11 124.14 1iyg h GLN 42 Ca 0.48 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.05 1iyg h GLN 42 Cb 0.83 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.55 1iyg h GLN 42 CO -0.92 -0.32 0.19 0.35 -1.93 0.00 0.00 178.83 176.20 1iyg h PHE 43 N -0.50 0.31 0.00 3.99 3.57 0.51 -0.68 116.94 124.14 1iyg h PHE 43 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1iyg h PHE 43 Cb 0.54 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1iyg h PHE 43 CO -0.48 0.01 -0.05 0.93 -2.23 0.00 0.00 178.31 176.50 1iyg h GLU 44 N 0.33 -0.06 -0.92 1.11 5.08 0.09 0.34 114.58 120.56 1iyg h GLU 44 Ca 0.34 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.95 1iyg h GLU 44 Cb 0.49 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1iyg h GLU 44 CO -0.39 -0.04 0.39 -0.92 -1.00 0.00 0.00 179.01 177.05 1iyg h TYR 45 N -0.06 0.63 0.34 4.33 3.20 -0.77 0.42 116.97 125.06 1iyg h TYR 45 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1iyg h TYR 45 Cb 0.06 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1iyg h TYR 45 CO -0.36 -0.11 -0.31 0.00 -1.64 0.00 0.00 178.16 175.74 1iyg h ALA 46 N 1.76 -0.68 -0.46 1.82 0.00 -0.29 0.90 119.26 122.31 1iyg h ALA 46 Ca 0.59 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1iyg h ALA 46 Cb 1.20 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1iyg h ALA 46 CO -0.58 -0.91 0.31 2.35 0.00 0.00 0.00 179.25 180.42 1iyg h TRP 47 N -0.67 0.37 -0.10 0.00 -0.00 0.20 0.50 115.95 116.26 1iyg h TRP 47 Ca -0.02 0.01 -0.11 0.00 -0.00 0.00 0.00 58.89 58.76 1iyg h TRP 47 Cb 0.60 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 1iyg h TRP 47 CO -0.18 0.20 -0.45 0.00 -0.00 0.00 0.00 178.44 178.02 1iyg h LEU 49 N 0.20 -0.54 -1.43 0.00 3.38 0.55 -1.35 115.31 116.11 1iyg h LEU 49 Ca 0.01 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.25 1iyg h LEU 49 Cb 0.87 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1iyg h LEU 49 CO 0.07 -0.16 0.66 -0.37 0.09 0.00 0.00 178.44 178.72 1iyg h VAL 50 N -1.09 0.56 0.00 1.22 -1.51 -0.84 1.67 116.25 116.27 1iyg h VAL 50 Ca -0.07 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.22 1iyg h VAL 50 Cb 0.49 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.79 1iyg h VAL 50 CO 0.11 0.07 -0.24 0.03 -1.23 0.00 0.00 177.57 176.30 1iyg h ARG 51 N 0.39 0.00 -6.11 5.19 3.08 -1.13 -3.46 114.38 112.34 1iyg h ARG 51 Ca 0.56 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.08 1iyg h ARG 51 Cb 1.44 0.00 0.24 0.00 0.08 0.00 0.00 29.97 31.73 1iyg h ARG 51 CO -0.25 0.24 -1.95 0.45 -1.07 0.00 0.00 179.97 177.39 1iyg n SER 52 N -3.41 -4.60 0.04 7.04 2.88 0.57 -0.50 113.62 115.62 1iyg n SER 52 Ca 0.00 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1iyg n SER 52 Cb 0.44 -0.74 0.30 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.85 0.14 -3.61 -1.46 -0.00 -1.26 -4.54 118.16 109.28 1iyg n LYS 53 Ca -0.01 0.06 -0.22 0.00 -0.00 0.00 0.00 58.31 58.14 1iyg n LYS 53 Cb 0.62 -1.61 -0.01 0.00 -0.00 0.00 0.00 35.03 34.03 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1iyg s TYR 54 N -3.08 3.41 -0.17 5.58 1.51 -1.26 -5.02 117.35 118.32 1iyg s TYR 54 Ca 0.10 0.11 0.14 0.00 -1.01 0.00 0.00 57.07 56.41 1iyg s TYR 54 Cb 0.16 -1.80 -0.24 0.00 -0.11 0.00 0.00 41.96 39.97 1iyg s TYR 54 CO 0.67 0.20 0.18 0.09 -1.11 0.00 0.00 175.55 175.58 1iyg n ASN 55 N -1.63 0.47 0.14 2.29 3.02 -1.26 -3.68 115.26 114.60 1iyg n ASN 55 Ca -0.06 0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.70 1iyg n ASN 55 Cb 0.57 0.55 0.52 0.00 -0.61 0.00 0.00 39.78 40.81 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iyg n GLU 56 N -2.89 0.17 -0.00 3.52 1.02 -1.26 -1.21 120.64 119.99 1iyg n GLU 56 Ca -0.31 0.49 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 1iyg n GLU 56 Cb 1.11 -1.89 -0.14 0.00 -0.02 0.00 0.00 31.44 30.50 1iyg n GLU 56 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iyg n ASP 57 N -2.23 0.14 0.39 1.62 9.92 -1.26 -4.26 116.55 120.87 1iyg n ASP 57 Ca 0.01 0.06 -0.18 0.00 -0.53 0.00 0.00 54.79 54.14 1iyg n ASP 57 Cb 0.16 1.62 -0.09 0.00 -0.64 0.00 0.00 41.12 42.17 1iyg n ASP 57 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1iyg h ILE 58 N 0.00 0.30 -0.91 0.53 2.04 -1.23 -2.53 117.51 115.71 1iyg h ILE 58 Ca -0.06 -0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.01 1iyg h ILE 58 Cb 1.15 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.42 1iyg h ILE 58 CO 0.00 0.00 0.44 -0.09 0.00 0.00 0.00 178.15 178.50 1iyg h ARG 59 N -0.96 0.45 -0.43 2.37 2.43 -1.75 1.06 114.38 117.56 1iyg h ARG 59 Ca -0.10 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.17 1iyg h ARG 59 Cb 0.73 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1iyg h ARG 59 CO 0.16 0.30 0.41 0.00 -1.51 0.00 0.00 179.97 179.32 1iyg h ARG 60 N 0.46 0.00 0.00 0.20 -0.00 -1.63 0.86 114.38 114.27 1iyg h ARG 60 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.04 1iyg h ARG 60 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.01 1iyg h ARG 60 CO -0.50 0.00 -0.81 0.41 0.00 0.00 0.00 179.97 179.07 1iyg n GLY 61 N -1.52 -1.34 0.08 0.04 0.00 0.36 -3.96 105.19 98.85 1iyg n GLY 61 Ca 0.08 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.29 -0.30 -0.61 2.04 0.15 -2.18 117.51 117.90 1iyg h ILE 62 Ca 0.00 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.41 1iyg h ILE 62 Cb 0.76 2.23 -0.08 0.00 -0.74 0.00 0.00 36.82 38.99 1iyg h ILE 62 CO 0.00 0.36 -0.42 -0.37 0.00 0.00 0.00 178.15 177.72 1iyg h VAL 63 N -0.79 0.14 0.04 1.67 -1.51 -1.53 1.79 116.25 116.07 1iyg h VAL 63 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1iyg h VAL 63 Cb 0.64 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1iyg h VAL 63 CO 0.01 0.00 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.21 1iyg h LEU 64 N -0.38 -0.20 -1.69 4.19 3.38 -1.69 1.56 115.31 120.48 1iyg h LEU 64 Ca 0.12 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1iyg h LEU 64 Cb 0.59 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1iyg h LEU 64 CO -0.50 -0.08 0.69 -0.07 0.09 0.00 0.00 178.44 178.56 1iyg h LEU 65 N -0.12 0.00 0.08 1.67 3.38 -1.05 1.99 115.31 121.26 1iyg h LEU 65 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1iyg h LEU 65 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1iyg h LEU 65 CO -0.02 0.00 -1.21 -0.33 0.09 0.00 0.00 178.44 176.97 1iyg h GLU 66 N 0.00 0.16 0.00 1.13 5.08 0.50 -2.87 114.58 118.59 1iyg h GLU 66 Ca 0.28 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1iyg h GLU 66 Cb 1.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1iyg h GLU 66 CO -0.00 1.10 -0.80 0.93 -1.00 0.00 0.00 179.01 179.24 1iyg h GLU 67 N 0.04 0.00 0.00 2.33 4.39 1.38 -3.28 114.58 119.44 1iyg h GLU 67 Ca -0.11 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1iyg h GLU 67 Cb 1.91 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1iyg h GLU 67 CO 0.17 0.00 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.62 1iyg h LEU 68 N 0.00 0.00 -0.30 1.33 3.38 0.22 -3.09 115.31 116.84 1iyg h LEU 68 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1iyg h LEU 68 Cb 0.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1iyg h LEU 68 CO 0.00 0.11 -0.42 -0.07 0.09 0.00 0.00 178.44 178.15 1iyg h LEU 69 N 0.00 -1.40 -0.53 1.67 -0.00 -1.56 -1.20 115.31 112.29 1iyg h LEU 69 Ca -0.01 0.18 -0.14 0.00 -0.00 0.00 0.00 57.88 57.92 1iyg h LEU 69 Cb 1.09 0.57 -0.02 0.00 -0.00 0.00 0.00 40.66 42.30 1iyg h LEU 69 CO 0.01 -0.30 -0.66 1.55 -0.00 0.00 0.00 178.44 179.04 1iyg h PRO 70 N -0.30 0.00 -2.02 1.13 0.13 -1.79 -3.25 132.00 125.89 1iyg h PRO 70 Ca 0.05 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.75 1iyg h PRO 70 Cb 0.45 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.43 1iyg h PRO 70 CO -0.44 0.66 0.29 1.63 -0.23 0.00 0.00 178.00 179.90 1iyg n LYS 71 N -3.58 2.37 -3.57 0.86 5.02 -0.53 -4.83 118.16 113.90 1iyg n LYS 71 Ca -0.00 -2.06 -0.06 0.00 -2.02 0.00 0.00 58.31 54.16 1iyg n LYS 71 Cb 0.69 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.75 -0.39 0.80 0.72 0.00 -0.77 -4.76 107.32 103.67 1iyg s GLY 72 Ca 0.61 0.94 -0.13 0.00 0.00 0.00 0.00 44.72 46.13 1iyg s GLY 72 CO -0.17 0.30 0.70 1.44 0.00 0.00 0.00 173.10 175.37 1iyg n SER 73 N -0.27 -1.80 -0.03 1.64 7.64 -1.26 -4.79 113.62 114.75 1iyg n SER 73 Ca -0.07 -0.91 -0.15 0.00 1.01 0.00 0.00 58.87 58.75 1iyg n SER 73 Cb 0.61 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 1iyg n SER 73 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1iyg h LYS 74 N 0.00 0.35 0.00 1.43 6.56 -1.99 -2.16 116.57 120.75 1iyg h LYS 74 Ca -0.26 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 1iyg h LYS 74 Cb 0.81 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1iyg h LYS 74 CO 0.17 0.92 0.00 1.05 -2.06 0.00 0.00 179.45 179.54 1iyg h GLU 75 N -0.15 0.00 0.00 3.15 4.11 -2.01 -2.78 114.58 116.90 1iyg h GLU 75 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 1iyg h GLU 75 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1iyg h GLU 75 CO 0.07 0.00 -0.83 0.93 0.07 0.00 0.00 179.01 179.25 1iyg h GLU 76 N 0.00 0.00 0.00 1.06 5.08 -1.88 -3.19 114.58 115.65 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 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1iyg h GLU 76 CO 0.00 0.52 0.00 1.96 -1.00 0.00 0.00 179.01 180.49 1iyg h GLN 77 N 0.00 0.00 -0.47 2.33 4.20 -1.09 -2.85 115.11 117.23 1iyg h GLN 77 Ca -0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1iyg h GLN 77 Cb 1.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1iyg h GLN 77 CO 0.07 0.00 -0.25 0.00 -0.67 0.00 0.00 178.83 177.98 1iyg h ARG 78 N 0.00 0.99 -0.22 1.46 -0.00 -1.61 -0.70 114.38 114.30 1iyg h ARG 78 Ca 0.00 -0.45 -0.12 0.00 -0.50 0.00 0.00 59.98 58.92 1iyg h ARG 78 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 1iyg h ARG 78 CO 0.00 1.12 -0.36 -0.44 0.00 0.00 0.00 179.97 180.29 1iyg h ASP 79 N 0.85 0.50 0.29 7.04 5.19 -1.66 -2.05 116.42 126.58 1iyg h ASP 79 Ca 0.10 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1iyg h ASP 79 Cb 0.84 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1iyg h ASP 79 CO 0.07 0.82 -0.14 1.88 -3.12 0.00 0.00 179.24 178.76 1iyg h TYR 80 N 0.41 -0.36 -0.52 4.55 0.05 -1.42 -3.04 116.97 116.64 1iyg h TYR 80 Ca 0.04 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.88 1iyg h TYR 80 Cb 0.82 0.12 -0.10 0.00 1.01 0.00 0.00 36.73 38.58 1iyg h TYR 80 CO 0.03 -0.22 -0.50 0.28 -1.05 0.00 0.00 178.16 176.69 1iyg h VAL 81 N -0.55 0.04 -0.86 -2.88 2.07 -1.20 0.74 116.25 113.61 1iyg h VAL 81 Ca -0.04 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.81 1iyg h VAL 81 Cb 0.30 0.04 -0.16 0.00 -1.52 0.00 0.00 31.29 29.95 1iyg h VAL 81 CO 0.06 0.00 0.33 0.33 0.02 0.00 0.00 177.57 178.32 1iyg n PHE 82 N -5.38 0.87 -0.07 1.57 7.35 -0.77 -0.29 117.46 120.74 1iyg n PHE 82 Ca -0.01 1.02 -0.13 0.00 -0.76 0.00 0.00 57.45 57.58 1iyg n PHE 82 Cb 0.34 -1.35 -0.10 0.00 0.35 0.00 0.00 39.48 38.73 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 -1.08 -5.13 0.05 -0.15 -2.94 116.97 107.72 1iyg h TYR 83 Ca 0.67 0.00 0.42 0.00 0.05 0.00 0.00 58.73 59.87 1iyg h TYR 83 Cb 1.69 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.27 1iyg h TYR 83 CO -0.14 0.86 0.63 1.28 -1.05 0.00 0.00 178.16 179.74 1iyg n LEU 84 N -4.60 0.29 -0.03 3.88 4.77 0.21 0.16 117.00 121.68 1iyg n LEU 84 Ca -0.13 1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 57.23 1iyg n LEU 84 Cb 0.42 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1iyg n LEU 84 CO 0.23 -1.67 0.50 0.00 -1.33 0.00 0.00 177.39 175.12 1iyg h ALA 85 N 1.79 -0.02 -0.66 -1.18 0.00 -0.96 0.16 119.26 118.39 1iyg h ALA 85 Ca 0.83 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 55.52 1iyg h ALA 85 Cb 2.35 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 20.05 1iyg h ALA 85 CO -0.64 -0.14 0.14 0.28 0.00 0.00 0.00 179.25 178.88 1iyg h VAL 86 N -0.75 0.58 0.15 0.00 2.07 0.18 1.54 116.25 120.01 1iyg h VAL 86 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1iyg h VAL 86 Cb 0.71 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1iyg h VAL 86 CO 0.00 0.05 -0.07 1.23 0.02 0.00 0.00 177.57 178.80 1iyg h GLY 87 N 0.26 -0.21 0.35 2.17 0.00 0.33 -2.71 103.07 103.26 1iyg h GLY 87 Ca 0.36 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.83 1iyg h GLY 87 CO -0.45 -0.08 -0.04 3.43 0.00 0.00 0.00 176.54 179.40 1iyg h ASN 88 N -0.71 -0.24 -0.61 0.19 2.35 -0.02 -1.31 115.58 115.23 1iyg h ASN 88 Ca -0.02 0.10 0.13 0.00 -0.55 0.00 0.00 56.30 55.95 1iyg h ASN 88 Cb 0.51 0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.97 1iyg h ASN 88 CO 0.03 -0.08 0.01 0.22 -1.65 0.00 0.00 177.43 175.96 1iyg h TYR 89 N 0.05 -0.02 -0.80 1.19 3.20 0.21 0.45 116.97 121.25 1iyg h TYR 89 Ca 0.18 0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.26 1iyg h TYR 89 Cb 0.26 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1iyg h TYR 89 CO -0.29 -0.15 0.53 -0.09 -1.64 0.00 0.00 178.16 176.52 1iyg h ARG 90 N 0.13 0.40 -0.37 1.82 1.12 -0.90 1.39 114.38 117.96 1iyg h ARG 90 Ca 0.32 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 1iyg h ARG 90 Cb 0.51 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1iyg h ARG 90 CO -0.51 0.26 0.00 1.28 -3.11 0.00 0.00 179.97 177.89 1iyg n LEU 91 N -4.48 1.53 0.00 3.80 4.32 0.13 -4.82 117.00 117.47 1iyg n LEU 91 Ca 0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1iyg n LEU 91 Cb 0.58 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1iyg n LEU 91 CO 0.32 0.33 0.00 0.29 -1.22 0.00 0.00 177.39 177.11 1iyg n LYS 92 N 0.20 -0.96 -0.92 3.23 5.02 0.48 -4.84 118.16 120.36 1iyg n LYS 92 Ca 0.08 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.39 1iyg n LYS 92 Cb 0.27 -4.07 -0.06 0.00 -0.02 0.00 0.00 35.03 31.15 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyg n GLU 93 N -0.91 2.38 -0.24 1.97 -0.58 0.61 -4.58 120.64 119.28 1iyg n GLU 93 Ca 0.00 -1.43 0.03 0.00 -0.42 0.00 0.00 57.16 55.34 1iyg n GLU 93 Cb 0.24 -2.35 0.16 0.00 -0.57 0.00 0.00 31.44 28.92 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 4.99 0.49 0.00 -0.32 0.05 -1.84 0.89 116.97 121.23 1iyg h TYR 94 Ca 0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.30 1iyg h TYR 94 Cb 0.55 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1iyg h TYR 94 CO 1.81 0.09 0.00 0.39 -1.05 0.00 0.00 178.16 179.40 1iyg n GLU 95 N -4.99 0.00 -0.18 4.88 1.02 -1.26 0.14 120.64 120.26 1iyg n GLU 95 Ca 0.13 0.62 -0.01 0.00 -0.02 0.00 0.00 57.16 57.88 1iyg n GLU 95 Cb 0.36 -1.24 0.08 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.16 0.00 3.49 1.79 -1.93 0.17 116.57 120.26 1iyg h LYS 96 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1iyg h LYS 96 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1iyg h LYS 96 CO 0.00 0.11 0.00 0.00 -1.08 0.00 0.00 179.45 178.48 1iyg n ALA 97 N -2.65 -0.12 -0.13 3.86 0.00 0.29 -0.08 120.51 121.68 1iyg n ALA 97 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 1iyg n ALA 97 Cb 0.30 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.83 -1.99 0.00 -0.00 0.16 1.87 115.31 113.52 1iyg h LEU 98 Ca 0.00 0.24 0.56 0.00 -0.00 0.00 0.00 57.88 58.68 1iyg h LEU 98 Cb 0.00 0.75 -0.08 0.00 -0.00 0.00 0.00 40.66 41.33 1iyg h LEU 98 CO 0.00 -0.41 1.38 0.50 -0.00 0.00 0.00 178.44 179.91 1iyg h LYS 99 N -0.41 0.00 0.04 1.13 1.63 -0.22 3.09 116.57 121.82 1iyg h LYS 99 Ca 0.07 -0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.52 1iyg h LYS 99 Cb 0.61 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 1iyg h LYS 99 CO -0.58 0.00 -2.12 0.66 -3.45 0.00 0.00 179.45 173.96 1iyg n TYR 100 N -3.96 0.65 0.21 1.91 4.01 0.35 -3.54 117.16 116.79 1iyg n TYR 100 Ca 0.43 0.18 0.09 0.00 -0.16 0.00 0.00 57.90 58.43 1iyg n TYR 100 Cb 1.96 -1.10 0.36 0.00 -0.31 0.00 0.00 39.34 40.26 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 0.02 0.58 0.09 -0.72 2.07 1.45 -0.86 116.25 118.89 1iyg h VAL 101 Ca -0.45 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 1iyg h VAL 101 Cb 2.04 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1iyg h VAL 101 CO 0.03 0.26 -0.04 0.03 0.02 0.00 0.00 177.57 177.87 1iyg h ARG 102 N 0.00 -0.12 -0.56 1.57 2.47 0.46 -1.99 114.38 116.22 1iyg h ARG 102 Ca -0.00 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1iyg h ARG 102 Cb 0.88 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1iyg h ARG 102 CO 0.03 0.41 0.05 0.78 0.56 0.00 0.00 179.97 181.81 1iyg h GLY 103 N -0.83 0.99 2.00 0.04 0.00 -1.60 -0.27 103.07 103.41 1iyg h GLY 103 Ca -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1iyg h GLY 103 CO 0.02 0.61 -0.26 -2.00 0.00 0.00 0.00 176.54 174.91 1iyg h LEU 104 N 0.86 0.00 0.00 3.11 7.12 -1.23 -1.75 115.31 123.42 1iyg h LEU 104 Ca 0.17 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.00 1iyg h LEU 104 Cb 0.44 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.54 1iyg h LEU 104 CO 0.02 0.26 -0.89 -0.07 -0.13 0.00 0.00 178.44 177.63 1iyg h LEU 105 N 0.00 0.00 -0.11 2.25 3.38 -0.56 -0.88 115.31 119.38 1iyg h LEU 105 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iyg h LEU 105 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1iyg h LEU 105 CO 0.03 0.86 0.02 1.56 0.09 0.00 0.00 178.44 181.00 1iyg h GLN 106 N 0.00 0.07 0.00 1.13 1.08 -0.15 0.84 115.11 118.07 1iyg h GLN 106 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1iyg h GLN 106 Cb 1.67 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1iyg h GLN 106 CO 0.11 0.04 -0.54 0.00 -0.95 0.00 0.00 178.83 177.49 1iyg h THR 107 N 0.07 0.00 -2.06 -0.54 1.03 -1.59 -3.37 112.91 106.44 1iyg h THR 107 Ca 0.05 -0.63 -0.54 0.00 -0.01 0.00 0.00 66.41 65.28 1iyg h THR 107 Cb 0.04 1.29 -0.40 0.00 -1.07 0.00 0.00 68.15 68.02 1iyg h THR 107 CO -0.07 0.00 -1.01 -0.62 -0.01 0.00 0.00 175.52 173.81 1iyg n GLU 108 N -2.33 1.36 0.09 0.00 -0.58 -0.34 -4.90 120.64 113.95 1iyg n GLU 108 Ca 0.03 -3.68 -0.06 0.00 -0.42 0.00 0.00 57.16 53.03 1iyg n GLU 108 Cb 0.47 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 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 3.57 0.14 0.00 3.49 0.13 0.51 -2.93 132.00 136.92 1iyg h PRO 109 Ca 0.11 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1iyg h PRO 109 Cb 0.83 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1iyg h PRO 109 CO 0.57 0.86 0.00 -0.56 -0.23 0.00 0.00 178.00 178.64 1iyg h GLN 110 N 0.09 0.00 -6.26 0.86 3.07 -1.91 -3.43 115.11 107.53 1iyg h GLN 110 Ca -0.03 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.16 1iyg h GLN 110 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.93 1iyg h GLN 110 CO 0.12 0.00 1.15 1.21 0.09 0.00 0.00 178.83 181.39 1iyg s ASN 111 N -4.90 6.44 -0.05 0.06 3.84 -1.11 -4.89 114.94 114.33 1iyg s ASN 111 Ca 0.05 1.99 -0.24 0.00 0.21 0.00 0.00 52.86 54.87 1iyg s ASN 111 Cb 0.09 -2.53 -0.19 0.00 -0.55 0.00 0.00 41.25 38.07 1iyg s ASN 111 CO 0.50 -1.15 1.02 0.78 -2.79 0.00 0.00 177.10 175.46 1iyg h ASN 112 N 10.52 -0.08 -0.99 -4.21 2.35 -1.88 -2.59 115.58 118.69 1iyg h ASN 112 Ca -0.38 -0.50 0.27 0.00 -0.55 0.00 0.00 56.30 55.14 1iyg h ASN 112 Cb 1.18 0.02 -0.19 0.00 0.05 0.00 0.00 38.32 39.38 1iyg h ASN 112 CO 0.97 0.51 0.01 1.56 -1.65 0.00 0.00 177.43 178.83 1iyg h GLN 113 N -0.73 0.00 -0.42 0.81 4.20 -1.90 1.56 115.11 118.64 1iyg h GLN 113 Ca -0.01 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1iyg h GLN 113 Cb 0.58 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1iyg h GLN 113 CO 0.02 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.14 1iyg h ALA 114 N 1.99 0.57 0.10 3.87 0.00 -1.90 -2.48 119.26 121.41 1iyg h ALA 114 Ca 0.60 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1iyg h ALA 114 Cb 1.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1iyg h ALA 114 CO -0.94 0.39 -0.31 0.87 0.00 0.00 0.00 179.25 179.26 1iyg h LYS 115 N 0.60 -0.51 -0.12 0.00 1.57 0.24 -0.93 116.57 117.43 1iyg h LYS 115 Ca 0.11 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1iyg h LYS 115 Cb 0.54 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1iyg h LYS 115 CO 0.03 -0.34 -0.46 0.93 -0.57 0.00 0.00 179.45 179.04 1iyg h GLU 116 N -0.53 -0.47 -0.74 3.15 4.39 -0.32 -1.91 114.58 118.15 1iyg h GLU 116 Ca 0.04 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1iyg h GLU 116 Cb 0.56 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 1iyg h GLU 116 CO -0.20 -0.31 -0.54 1.25 -1.16 0.00 0.00 179.01 178.05 1iyg h LEU 117 N -0.49 -1.93 -0.89 1.33 5.85 -1.17 1.16 115.31 119.16 1iyg h LEU 117 Ca 0.03 0.28 0.10 0.00 0.84 0.00 0.00 57.88 59.13 1iyg h LEU 117 Cb 0.57 0.84 -0.12 0.00 0.37 0.00 0.00 40.66 42.32 1iyg h LEU 117 CO -0.37 -0.27 -0.46 1.21 -0.34 0.00 0.00 178.44 178.21 1iyg n GLU 118 N -5.14 -0.32 -0.15 1.25 0.00 -0.38 0.66 120.64 116.57 1iyg n GLU 118 Ca 0.00 1.36 -0.09 0.00 0.00 0.00 0.00 57.16 58.43 1iyg n GLU 118 Cb 0.27 -2.01 -0.00 0.00 0.00 0.00 0.00 31.44 29.70 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 0.68 -0.22 5.31 3.08 -0.07 -1.55 114.38 121.61 1iyg h ARG 119 Ca 0.21 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1iyg h ARG 119 Cb 0.43 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 1iyg h ARG 119 CO -0.86 0.68 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.24 1iyg h LEU 120 N 0.55 -1.35 -0.55 3.04 3.38 0.70 0.22 115.31 121.31 1iyg h LEU 120 Ca 0.14 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1iyg h LEU 120 Cb 0.29 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1iyg h LEU 120 CO -0.00 -0.33 0.14 0.40 0.09 0.00 0.00 178.44 178.75 1iyg h ILE 121 N -0.35 0.73 -0.78 1.22 2.04 -0.38 0.24 117.51 120.23 1iyg h ILE 121 Ca 0.04 -0.10 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1iyg h ILE 121 Cb 0.47 0.41 -0.13 0.00 -0.74 0.00 0.00 36.82 36.83 1iyg h ILE 121 CO -0.39 0.05 0.07 -0.78 0.00 0.00 0.00 178.15 177.10 1iyg h ASP 122 N 0.29 -0.24 -0.21 1.72 1.82 0.03 0.66 116.42 120.49 1iyg h ASP 122 Ca 0.28 0.19 -0.16 0.00 -0.39 0.00 0.00 57.03 56.95 1iyg h ASP 122 Cb 0.37 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1iyg h ASP 122 CO -0.33 -0.16 -0.46 0.11 -1.61 0.00 0.00 179.24 176.79 1iyg h LYS 123 N 0.14 0.77 0.18 0.28 1.57 0.13 -3.07 116.57 116.57 1iyg h LYS 123 Ca 0.44 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1iyg h LYS 123 Cb 0.80 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1iyg h LYS 123 CO -0.65 1.06 -0.41 0.00 -0.57 0.00 0.00 179.45 178.89 1iyg h ALA 124 N 0.87 -0.95 -0.81 3.86 0.00 0.34 0.59 119.26 123.15 1iyg h ALA 124 Ca 0.04 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1iyg h ALA 124 Cb 1.03 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 19.42 1iyg h ALA 124 CO 0.10 -1.03 -0.24 0.52 0.00 0.00 0.00 179.25 178.60 1iyg h MET 125 N -0.64 -0.02 -0.19 0.00 2.86 -0.72 0.45 114.93 116.67 1iyg h MET 125 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1iyg h MET 125 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1iyg h MET 125 CO -0.18 -0.01 0.12 0.87 1.06 0.00 0.00 176.91 178.77 1iyg h LYS 126 N -0.02 0.24 0.03 1.72 1.79 -1.30 -3.17 116.57 115.86 1iyg h LYS 126 Ca 0.37 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1iyg h LYS 126 Cb 0.60 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1iyg h LYS 126 CO -0.84 0.16 -0.05 0.87 -1.08 0.00 0.00 179.45 178.51 1iyg h LYS 127 N 0.24 -0.08 -5.32 3.15 1.57 0.43 -3.48 116.57 113.08 1iyg h LYS 127 Ca 0.07 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1iyg h LYS 127 Cb -0.02 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1iyg h LYS 127 CO -0.03 -0.05 -1.07 0.45 -0.57 0.00 0.00 179.45 178.19 1iyg n SER 128 N -2.60 -6.66 -4.80 0.86 2.88 0.11 -4.99 113.62 98.43 1iyg n SER 128 Ca -0.01 1.27 -0.29 0.00 -1.33 0.00 0.00 58.87 58.52 1iyg n SER 128 Cb 0.04 -4.71 0.12 0.00 -0.75 0.00 0.00 64.21 58.91 1iyg n SER 128 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1iyg s GLY 129 N -1.35 1.58 0.58 0.46 0.00 -1.26 -5.04 107.32 102.29 1iyg s GLY 129 Ca -0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1iyg s GLY 129 CO 0.66 -0.04 1.05 2.56 0.00 0.00 0.00 173.10 177.33 1iyg s PRO 130 N -5.38 3.42 -0.35 2.90 0.04 -1.26 -5.03 135.00 129.34 1iyg s PRO 130 Ca 0.64 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 1iyg s PRO 130 Cb -0.13 -2.05 0.20 0.00 0.04 0.00 0.00 34.50 32.56 1iyg s PRO 130 CO 0.52 -0.72 1.02 0.45 0.04 0.00 0.00 177.00 178.31 1iyg s SER 131 N -2.80 -0.45 0.19 6.66 0.15 -1.26 -5.14 113.70 111.04 1iyg s SER 131 Ca 0.63 -0.38 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 1iyg s SER 131 Cb -0.15 0.59 -0.17 0.00 -1.71 0.00 0.00 66.02 64.58 1iyg s SER 131 CO 0.36 -0.03 0.74 -1.54 1.20 0.00 0.00 173.24 173.96 1iyg n SER 132 N 3.21 -0.35 0.00 5.45 3.41 -1.26 -5.33 113.62 118.75 1iyg n SER 132 Ca 0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1iyg n SER 132 Cb 0.63 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49