#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 3.42 0.22 1.61 1.04 -1.26 -5.11 113.70 113.62 1iyg s SER 2 Ca 0.00 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 55.84 1iyg s SER 2 Cb 0.00 -1.27 0.01 0.00 0.10 0.00 0.00 66.02 64.86 1iyg s SER 2 CO 0.00 0.20 0.48 -0.55 0.98 0.00 0.00 173.24 174.35 1iyg s SER 3 N 0.12 -0.13 -0.94 7.02 0.15 -1.26 -5.09 113.70 113.57 1iyg s SER 3 Ca -0.10 -0.77 -0.24 0.00 0.70 0.00 0.00 55.95 55.53 1iyg s SER 3 Cb -0.16 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1iyg s SER 3 CO 0.06 -1.10 1.68 -0.83 1.20 0.00 0.00 173.24 174.25 1iyg s GLY 4 N -2.96 0.71 0.11 9.45 0.00 -1.26 -4.87 107.32 108.50 1iyg s GLY 4 Ca 0.17 -1.81 -0.25 0.00 0.00 0.00 0.00 44.72 42.83 1iyg s GLY 4 CO 0.04 3.08 0.73 -0.45 0.00 0.00 0.00 173.10 176.50 1iyg s SER 5 N 6.42 -0.46 0.12 1.64 0.15 -1.26 -5.13 113.70 115.19 1iyg s SER 5 Ca 0.57 -0.07 -0.34 0.00 0.70 0.00 0.00 55.95 56.81 1iyg s SER 5 Cb -0.04 0.53 -0.14 0.00 -1.71 0.00 0.00 66.02 64.66 1iyg s SER 5 CO -0.03 -0.88 1.60 -1.54 1.20 0.00 0.00 173.24 173.59 1iyg n SER 6 N -0.35 3.01 0.00 5.45 3.41 -1.26 -4.69 113.62 119.19 1iyg n SER 6 Ca -0.13 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1iyg n SER 6 Cb 0.63 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 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 -1.96 1.36 5.00 0.00 -1.26 -5.00 105.19 106.81 1iyg n GLY 7 Ca 0.18 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.92 0.00 0.16 1.61 1.56 -1.26 -4.28 117.12 113.99 1iyg n MET 8 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.54 1iyg n MET 8 Cb 0.00 -0.33 0.58 0.00 2.15 0.00 0.00 33.22 35.62 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 -3.42 0.14 -0.12 2.12 2.13 -1.26 -0.48 120.64 119.75 1iyg n GLU 9 Ca 0.00 0.64 -0.22 0.00 0.66 0.00 0.00 57.16 58.24 1iyg n GLU 9 Cb 0.04 -1.97 -0.12 0.00 0.27 0.00 0.00 31.44 29.67 1iyg n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg n ALA 10 N -1.77 1.28 -0.07 4.31 0.00 -1.26 -3.33 120.51 119.66 1iyg n ALA 10 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 53.44 52.32 1iyg n ALA 10 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.33 0.99 -0.00 0.00 2.07 -1.45 1.47 116.25 119.00 1iyg h VAL 11 Ca -0.59 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1iyg h VAL 11 Cb 1.80 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1iyg h VAL 11 CO -0.17 0.05 -0.41 0.25 0.02 0.00 0.00 177.57 177.31 1iyg h LEU 12 N 0.28 0.01 0.37 2.57 5.85 -0.99 -3.19 115.31 120.20 1iyg h LEU 12 Ca 0.11 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1iyg h LEU 12 Cb 0.04 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1iyg h LEU 12 CO -0.08 0.42 -0.18 0.78 -0.34 0.00 0.00 178.44 179.05 1iyg h ASN 13 N 0.01 -0.42 -1.89 1.25 2.35 -1.20 -3.46 115.58 112.23 1iyg h ASN 13 Ca -0.00 -0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.20 1iyg h ASN 13 Cb 0.73 0.11 0.21 0.00 0.05 0.00 0.00 38.32 39.42 1iyg h ASN 13 CO 0.05 0.03 -1.56 1.21 -1.65 0.00 0.00 177.43 175.51 1iyg n GLU 14 N -5.10 0.00 -4.48 0.81 0.00 0.49 -4.99 120.64 107.37 1iyg n GLU 14 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.86 1iyg n GLU 14 Cb 0.21 -0.94 -0.09 0.00 0.00 0.00 0.00 31.44 30.61 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 6.69 2.02 -0.02 4.31 1.43 -1.26 -4.93 118.68 126.91 1iyg s LEU 15 Ca 0.43 -1.55 -0.02 0.00 -1.03 0.00 0.00 54.13 51.95 1iyg s LEU 15 Cb -0.26 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1iyg s LEU 15 CO 0.73 -0.81 0.12 0.54 0.23 0.00 0.00 176.35 177.16 1iyg s VAL 16 N -3.29 5.05 -0.17 -1.59 0.11 -1.21 -4.89 120.40 114.42 1iyg s VAL 16 Ca 0.29 -0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 1iyg s VAL 16 Cb 0.05 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1iyg s VAL 16 CO 0.15 0.38 0.65 -0.44 -3.33 0.00 0.00 175.10 172.51 1iyg s SER 17 N -1.69 6.76 0.25 3.54 0.01 -1.26 -4.71 113.70 116.61 1iyg s SER 17 Ca 0.23 0.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.30 1iyg s SER 17 Cb -0.12 -2.36 0.35 0.00 0.21 0.00 0.00 66.02 64.09 1iyg s SER 17 CO 0.14 -0.23 1.57 1.62 0.41 0.00 0.00 173.24 176.75 1iyg h VAL 18 N 5.07 0.09 -0.56 3.43 3.04 -1.98 0.50 116.25 125.84 1iyg h VAL 18 Ca -0.34 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.45 1iyg h VAL 18 Cb 1.15 0.09 -0.11 0.00 -2.01 0.00 0.00 31.29 30.41 1iyg h VAL 18 CO 0.77 0.00 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.67 1iyg h GLU 19 N -0.01 -0.17 -0.04 4.17 5.08 -1.98 0.88 114.58 122.51 1iyg h GLU 19 Ca 0.40 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1iyg h GLU 19 Cb 0.64 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1iyg h GLU 19 CO -0.92 -0.11 -0.02 -0.44 -1.00 0.00 0.00 179.01 176.52 1iyg h ASP 20 N -0.17 -0.08 -0.94 1.42 3.32 -0.55 0.81 116.42 120.23 1iyg h ASP 20 Ca 0.22 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.45 1iyg h ASP 20 Cb 0.55 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.04 1iyg h ASP 20 CO -0.66 -0.03 0.55 0.25 -1.72 0.00 0.00 179.24 177.62 1iyg h LEU 21 N -0.03 0.72 0.28 1.55 7.12 0.13 0.25 115.31 125.34 1iyg h LEU 21 Ca 0.03 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1iyg h LEU 21 Cb 0.06 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1iyg h LEU 21 CO -0.06 0.31 -0.14 0.11 -0.13 0.00 0.00 178.44 178.54 1iyg h LYS 22 N 0.77 -0.37 -0.40 1.25 1.79 0.17 1.25 116.57 121.03 1iyg h LYS 22 Ca 0.51 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 59.12 1iyg h LYS 22 Cb 0.70 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1iyg h LYS 22 CO -0.34 -0.02 0.62 -0.91 -1.08 0.00 0.00 179.45 177.71 1iyg h ASN 23 N -0.89 0.00 0.00 0.86 2.35 0.14 0.11 115.58 118.14 1iyg h ASN 23 Ca -0.04 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.49 1iyg h ASN 23 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1iyg h ASN 23 CO 0.06 0.00 -1.47 0.49 -1.65 0.00 0.00 177.43 174.87 1iyg n PHE 24 N -3.31 0.56 -0.21 1.19 3.01 0.82 -3.88 117.46 115.64 1iyg n PHE 24 Ca 0.08 0.24 0.31 0.00 1.01 0.00 0.00 57.45 59.09 1iyg n PHE 24 Cb 0.78 -0.93 0.71 0.00 -0.01 0.00 0.00 39.48 40.03 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 -1.00 0.00 -0.09 -1.08 4.81 0.29 0.57 114.58 118.08 1iyg h GLU 25 Ca -0.34 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 1iyg h GLU 25 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1iyg h GLU 25 CO -0.21 0.00 -0.25 -0.09 -0.73 0.00 0.00 179.01 177.74 1iyg h ARG 26 N 0.00 0.33 0.38 1.92 2.43 -1.02 -2.92 114.38 115.50 1iyg h ARG 26 Ca 0.47 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1iyg h ARG 26 Cb 2.11 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.69 1iyg h ARG 26 CO -0.00 0.85 -0.24 -0.22 -1.51 0.00 0.00 179.97 178.84 1iyg h LYS 27 N -0.13 -0.57 -0.66 0.20 3.64 -0.02 -1.88 116.57 117.14 1iyg h LYS 27 Ca -0.00 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1iyg h LYS 27 Cb 0.86 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.71 1iyg h LYS 27 CO 0.05 -0.38 -0.55 0.35 -2.27 0.00 0.00 179.45 176.66 1iyg h PHE 28 N -0.59 -1.69 -0.29 1.91 3.57 -1.29 -0.18 116.94 118.39 1iyg h PHE 28 Ca -0.04 0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1iyg h PHE 28 Cb 0.49 0.83 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 1iyg h PHE 28 CO -0.10 -0.44 -0.35 1.96 -2.23 0.00 0.00 178.31 177.16 1iyg h GLN 29 N -0.22 -0.32 0.00 1.11 4.20 -1.37 0.13 115.11 118.64 1iyg h GLN 29 Ca 0.13 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1iyg h GLN 29 Cb 0.53 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1iyg h GLN 29 CO -0.75 -0.22 0.00 0.45 -0.67 0.00 0.00 178.83 177.65 1iyg n SER 30 N -5.42 0.00 -0.39 1.46 2.88 -0.23 -0.01 113.62 111.91 1iyg n SER 30 Ca -0.01 0.78 0.39 0.00 -1.33 0.00 0.00 58.87 58.70 1iyg n SER 30 Cb 0.34 -0.28 0.71 0.00 -0.75 0.00 0.00 64.21 64.23 1iyg n SER 30 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1iyg h GLU 31 N 0.00 0.00 0.73 -1.46 3.07 -0.96 0.39 114.58 116.35 1iyg h GLU 31 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1iyg h GLU 31 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1iyg h GLU 31 CO 0.00 0.00 -0.35 0.37 -1.40 0.00 0.00 179.01 177.63 1iyg h GLN 32 N 0.00 -0.94 0.00 2.33 4.15 0.24 -0.02 115.11 120.87 1iyg h GLN 32 Ca 0.64 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.13 1iyg h GLN 32 Cb 2.83 0.21 0.00 0.00 0.21 0.00 0.00 27.48 30.73 1iyg h GLN 32 CO -0.01 -0.63 0.00 0.00 -1.93 0.00 0.00 178.83 176.26 1iyg n ALA 33 N -2.64 1.67 0.09 3.38 0.00 0.68 -1.72 120.51 121.97 1iyg n ALA 33 Ca -0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1iyg n ALA 33 Cb 0.39 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 2.52 0.64 0.00 0.00 0.00 -0.03 -3.47 119.26 118.93 1iyg h ALA 34 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1iyg h ALA 34 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyg h ALA 34 CO 0.00 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1iyg n GLY 35 N 0.74 0.63 0.00 0.00 0.00 -0.70 -5.06 105.19 100.80 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 -4.72 1.61 7.64 -0.06 -4.99 113.62 113.10 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 2.73 0.64 0.44 1.01 -1.18 -4.52 120.40 119.52 1iyg s VAL 37 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1iyg s VAL 37 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1iyg s VAL 37 CO 0.00 0.05 1.18 -0.44 0.00 0.00 0.00 175.10 175.88 1iyg s SER 38 N 1.03 4.93 0.37 3.32 0.01 -1.26 -4.81 113.70 117.29 1iyg s SER 38 Ca 0.68 2.26 0.08 0.00 1.31 0.00 0.00 55.95 60.28 1iyg s SER 38 Cb -0.42 -2.58 0.80 0.00 0.21 0.00 0.00 66.02 64.02 1iyg s SER 38 CO 0.33 -1.76 1.92 0.07 0.41 0.00 0.00 173.24 174.21 1iyg h LYS 39 N 0.36 0.68 0.00 12.44 2.10 -1.93 -0.74 116.57 129.49 1iyg h LYS 39 Ca -0.49 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1iyg h LYS 39 Cb 1.28 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1iyg h LYS 39 CO 0.53 0.45 0.00 0.45 -2.00 0.00 0.00 179.45 178.88 1iyg n SER 40 N -4.51 0.00 -0.24 7.07 2.88 -1.26 -0.16 113.62 117.40 1iyg n SER 40 Ca 0.14 0.95 0.02 0.00 -1.33 0.00 0.00 58.87 58.64 1iyg n SER 40 Cb 0.35 -0.45 0.10 0.00 -0.75 0.00 0.00 64.21 63.47 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1iyg h THR 41 N 0.00 0.33 0.03 2.46 2.02 -1.89 0.54 112.91 116.40 1iyg h THR 41 Ca 0.00 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1iyg h THR 41 Cb 0.00 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 1iyg h THR 41 CO 0.00 0.01 -0.50 -0.61 0.37 0.00 0.00 175.52 174.78 1iyg h GLN 42 N 0.04 -0.63 -0.92 6.66 4.15 -0.99 0.97 115.11 124.38 1iyg h GLN 42 Ca 0.36 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.88 1iyg h GLN 42 Cb 0.58 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 1iyg h GLN 42 CO -0.69 -0.42 0.58 0.35 -1.93 0.00 0.00 178.83 176.73 1iyg h PHE 43 N -0.65 1.08 0.02 3.99 3.57 0.74 0.13 116.94 125.82 1iyg h PHE 43 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iyg h PHE 43 Cb 0.69 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1iyg h PHE 43 CO -0.49 0.56 -0.01 0.93 -2.23 0.00 0.00 178.31 177.06 1iyg h GLU 44 N 1.07 -0.03 -0.96 1.11 4.39 0.11 0.36 114.58 120.63 1iyg h GLU 44 Ca 0.40 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.37 1iyg h GLU 44 Cb 0.16 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.68 1iyg h GLU 44 CO -0.17 -0.02 0.47 -0.92 -1.16 0.00 0.00 179.01 177.21 1iyg h TYR 45 N -0.04 0.77 0.16 4.33 3.20 0.97 0.74 116.97 127.09 1iyg h TYR 45 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1iyg h TYR 45 Cb 0.02 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1iyg h TYR 45 CO 0.20 -0.12 -0.08 0.00 -1.64 0.00 0.00 178.16 176.52 1iyg h ALA 46 N 1.79 -0.21 -0.56 1.82 0.00 -0.68 0.18 119.26 121.61 1iyg h ALA 46 Ca 0.65 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.50 1iyg h ALA 46 Cb 1.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1iyg h ALA 46 CO -0.58 -0.53 0.37 2.35 0.00 0.00 0.00 179.25 180.85 1iyg h TRP 47 N -0.38 0.52 -0.46 0.00 -0.00 0.30 0.28 115.95 116.20 1iyg h TRP 47 Ca -0.02 0.01 -0.10 0.00 -0.00 0.00 0.00 58.89 58.78 1iyg h TRP 47 Cb 0.30 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 1iyg h TRP 47 CO -0.01 0.28 -0.13 0.00 -0.00 0.00 0.00 178.44 178.58 1iyg h LEU 49 N 0.77 -0.38 -1.31 0.00 3.38 0.25 0.22 115.31 118.24 1iyg h LEU 49 Ca 0.12 0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.50 1iyg h LEU 49 Cb 0.64 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1iyg h LEU 49 CO 0.04 -0.23 0.76 -0.37 0.09 0.00 0.00 178.44 178.74 1iyg h VAL 50 N -0.54 0.18 -0.43 1.22 -1.51 -0.98 1.73 116.25 115.93 1iyg h VAL 50 Ca -0.05 -0.05 -0.10 0.00 -1.23 0.00 0.00 66.70 65.27 1iyg h VAL 50 Cb 0.34 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.52 1iyg h VAL 50 CO 0.08 0.03 -0.14 0.03 -1.23 0.00 0.00 177.57 176.34 1iyg h ARG 51 N 0.15 0.85 -5.65 5.19 3.08 -1.06 -3.45 114.38 113.49 1iyg h ARG 51 Ca 0.78 -0.34 -0.52 0.00 0.07 0.00 0.00 59.98 59.97 1iyg h ARG 51 Cb 2.29 -0.04 0.22 0.00 0.08 0.00 0.00 29.97 32.52 1iyg h ARG 51 CO -0.46 0.98 -1.68 0.45 -1.07 0.00 0.00 179.97 178.18 1iyg n SER 52 N -4.26 -5.44 0.03 7.04 2.88 0.59 -3.30 113.62 111.16 1iyg n SER 52 Ca -0.01 0.22 0.13 0.00 -1.33 0.00 0.00 58.87 57.88 1iyg n SER 52 Cb 0.39 -0.73 0.39 0.00 -0.75 0.00 0.00 64.21 63.52 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 2.24 0.10 -3.15 -1.46 -0.00 -1.26 -4.74 118.16 109.90 1iyg n LYS 53 Ca -0.01 0.06 -0.39 0.00 -0.00 0.00 0.00 58.31 57.97 1iyg n LYS 53 Cb 0.52 -1.59 -0.05 0.00 -0.00 0.00 0.00 35.03 33.90 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 -3.05 3.63 0.14 5.58 1.51 -1.26 -4.96 117.35 118.93 1iyg s TYR 54 Ca 0.11 1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 57.25 1iyg s TYR 54 Cb 0.16 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1iyg s TYR 54 CO 0.62 0.23 1.46 -2.95 -1.11 0.00 0.00 175.55 173.80 1iyg h ASN 55 N 6.16 0.99 -0.94 2.29 7.08 -1.95 -2.76 115.58 126.45 1iyg h ASN 55 Ca -0.43 -0.48 0.18 0.00 -3.08 0.00 0.00 56.30 52.49 1iyg h ASN 55 Cb 1.20 -0.28 -0.11 0.00 -2.08 0.00 0.00 38.32 37.05 1iyg h ASN 55 CO 0.72 1.28 0.53 -0.33 -2.08 0.00 0.00 177.43 177.56 1iyg h GLU 56 N 0.74 0.65 -0.34 4.14 3.07 -1.98 0.37 114.58 121.23 1iyg h GLU 56 Ca 0.05 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.73 1iyg h GLU 56 Cb 1.04 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1iyg h GLU 56 CO 0.10 0.43 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.35 1iyg h ASP 57 N 0.67 0.81 0.58 1.42 3.32 -1.85 -3.11 116.42 118.26 1iyg h ASP 57 Ca 0.55 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1iyg h ASP 57 Cb 0.86 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1iyg h ASP 57 CO -0.40 1.08 -0.41 0.40 -1.72 0.00 0.00 179.24 178.20 1iyg h ILE 58 N 0.64 0.00 -1.32 0.35 2.04 -0.07 -0.71 117.51 118.44 1iyg h ILE 58 Ca 0.06 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.38 1iyg h ILE 58 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.83 1iyg h ILE 58 CO 0.08 0.00 0.83 -0.09 0.00 0.00 0.00 178.15 178.97 1iyg h ARG 59 N -0.94 0.02 0.44 2.37 2.43 -1.03 0.18 114.38 117.85 1iyg h ARG 59 Ca -0.08 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1iyg h ARG 59 Cb 0.77 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1iyg h ARG 59 CO 0.05 0.02 -0.21 0.00 -1.51 0.00 0.00 179.97 178.31 1iyg h ARG 60 N 0.02 -0.57 -1.26 0.20 -0.00 -1.24 -3.00 114.38 108.53 1iyg h ARG 60 Ca 0.87 0.04 0.37 0.00 -0.50 0.00 0.00 59.98 60.75 1iyg h ARG 60 Cb 2.70 0.13 -0.05 0.00 0.00 0.00 0.00 29.97 32.75 1iyg h ARG 60 CO -0.50 -0.38 1.27 0.41 0.00 0.00 0.00 179.97 180.77 1iyg n GLY 61 N -0.13 -0.81 0.27 0.04 0.00 0.57 0.47 105.19 105.59 1iyg n GLY 61 Ca -0.07 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.04 -0.61 2.04 -1.22 0.14 117.51 116.81 1iyg h ILE 62 Ca 0.60 -0.30 0.28 0.00 1.00 0.00 0.00 64.86 66.44 1iyg h ILE 62 Cb 3.13 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 39.09 1iyg h ILE 62 CO -0.01 0.00 0.64 -0.37 0.00 0.00 0.00 178.15 178.42 1iyg h VAL 63 N -0.94 0.47 0.40 1.67 -1.51 0.05 2.05 116.25 118.44 1iyg h VAL 63 Ca -0.07 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.24 1iyg h VAL 63 Cb 0.49 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1iyg h VAL 63 CO 0.11 0.08 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.26 1iyg h LEU 64 N 0.43 -0.46 -2.70 4.19 3.38 -1.27 0.05 115.31 118.94 1iyg h LEU 64 Ca 0.65 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1iyg h LEU 64 Cb 1.51 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1iyg h LEU 64 CO -0.42 -0.25 0.10 -0.07 0.09 0.00 0.00 178.44 177.89 1iyg h LEU 65 N -0.69 0.00 -0.17 1.67 3.38 0.53 0.50 115.31 120.53 1iyg h LEU 65 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1iyg h LEU 65 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1iyg h LEU 65 CO 0.09 0.00 -0.74 -0.33 0.09 0.00 0.00 178.44 177.55 1iyg h GLU 66 N 0.00 0.00 0.00 1.13 5.08 0.35 -2.69 114.58 118.46 1iyg h GLU 66 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1iyg h GLU 66 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1iyg h GLU 66 CO -0.00 0.74 -1.04 0.93 -1.00 0.00 0.00 179.01 178.64 1iyg h GLU 67 N 0.00 0.00 0.00 2.33 5.08 0.19 -3.31 114.58 118.88 1iyg h GLU 67 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1iyg h GLU 67 Cb 1.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1iyg h GLU 67 CO 0.10 0.09 -0.66 -0.07 -1.00 0.00 0.00 179.01 177.46 1iyg h LEU 68 N 0.00 0.00 -0.55 1.33 3.38 -0.96 -2.99 115.31 115.52 1iyg h LEU 68 Ca -0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1iyg h LEU 68 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1iyg h LEU 68 CO 0.01 0.66 -0.39 -0.07 0.09 0.00 0.00 178.44 178.74 1iyg h LEU 69 N 0.00 -1.40 -0.70 1.67 -0.00 -1.56 0.31 115.31 113.63 1iyg h LEU 69 Ca -0.01 0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1iyg h LEU 69 Cb 1.43 0.61 -0.01 0.00 -0.00 0.00 0.00 40.66 42.69 1iyg h LEU 69 CO 0.09 -0.19 -0.17 1.55 -0.00 0.00 0.00 178.44 179.71 1iyg h PRO 70 N -0.08 0.00 -2.04 1.13 0.13 -1.79 -3.22 132.00 126.13 1iyg h PRO 70 Ca 0.09 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.46 1iyg h PRO 70 Cb 0.32 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.18 1iyg h PRO 70 CO -0.56 0.17 1.03 1.63 -0.23 0.00 0.00 178.00 180.04 1iyg n LYS 71 N -3.22 3.12 -3.54 0.86 5.02 0.90 -4.91 118.16 116.39 1iyg n LYS 71 Ca 0.02 -3.59 -0.10 0.00 -2.02 0.00 0.00 58.31 52.61 1iyg n LYS 71 Cb 0.48 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 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 -1.00 -0.37 0.00 0.72 0.00 -0.08 -4.71 107.32 101.88 1iyg s GLY 72 Ca 0.51 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.74 1iyg s GLY 72 CO -0.36 0.69 0.00 1.44 0.00 0.00 0.00 173.10 174.87 1iyg n SER 73 N 0.26 -0.46 -0.03 1.64 7.64 -1.26 -4.75 113.62 116.66 1iyg n SER 73 Ca -0.09 -0.07 -0.21 0.00 1.01 0.00 0.00 58.87 59.50 1iyg n SER 73 Cb 0.60 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.67 1iyg n SER 73 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1iyg h LYS 74 N 0.00 0.16 0.00 1.43 1.63 -2.00 -3.01 116.57 114.78 1iyg h LYS 74 Ca 0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1iyg h LYS 74 Cb 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1iyg h LYS 74 CO 0.00 1.13 0.00 -0.85 -3.45 0.00 0.00 179.45 176.28 1iyg n GLU 75 N -4.02 0.35 -0.08 1.90 0.28 -1.26 -2.77 120.64 115.03 1iyg n GLU 75 Ca -0.28 0.08 -0.21 0.00 -0.16 0.00 0.00 57.16 56.59 1iyg n GLU 75 Cb 0.84 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 32.09 1iyg n GLU 75 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iyg n GLU 76 N -1.24 0.68 0.29 3.44 -0.58 -1.25 -4.13 120.64 117.86 1iyg n GLU 76 Ca 0.11 0.24 0.17 0.00 -0.42 0.00 0.00 57.16 57.26 1iyg n GLU 76 Cb 0.15 -1.61 0.87 0.00 -0.57 0.00 0.00 31.44 30.28 1iyg n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1iyg h GLN 77 N -0.16 0.00 -0.40 3.49 4.20 -1.37 0.14 115.11 121.01 1iyg h GLN 77 Ca -0.52 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.12 1iyg h GLN 77 Cb 1.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 1iyg h GLN 77 CO -0.07 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.06 1iyg h ARG 78 N 0.00 0.72 0.00 1.46 -0.00 -1.71 -0.26 114.38 114.59 1iyg h ARG 78 Ca 0.03 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.98 59.20 1iyg h ARG 78 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.50 1iyg h ARG 78 CO -0.00 0.83 -0.32 -0.44 0.00 0.00 0.00 179.97 180.04 1iyg h ASP 79 N 0.55 0.00 0.03 7.04 3.32 -0.94 -2.37 116.42 124.04 1iyg h ASP 79 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1iyg h ASP 79 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1iyg h ASP 79 CO 0.03 0.32 -0.01 1.88 -1.72 0.00 0.00 179.24 179.73 1iyg h TYR 80 N 0.00 -0.04 -0.73 4.55 0.05 -1.12 -3.09 116.97 116.60 1iyg h TYR 80 Ca -0.00 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.86 1iyg h TYR 80 Cb 0.68 0.01 -0.11 0.00 1.01 0.00 0.00 36.73 38.32 1iyg h TYR 80 CO 0.00 -0.02 -0.52 0.28 -1.05 0.00 0.00 178.16 176.85 1iyg h VAL 81 N -0.09 0.02 -0.98 -2.88 2.07 -1.13 1.19 116.25 114.45 1iyg h VAL 81 Ca -0.00 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.87 1iyg h VAL 81 Cb 0.03 0.02 -0.18 0.00 -1.52 0.00 0.00 31.29 29.65 1iyg h VAL 81 CO 0.01 0.00 0.32 0.33 0.02 0.00 0.00 177.57 178.25 1iyg n PHE 82 N -5.35 0.94 -0.07 1.57 7.35 -0.89 -0.30 117.46 120.70 1iyg n PHE 82 Ca 0.01 1.17 -0.15 0.00 -0.76 0.00 0.00 57.45 57.72 1iyg n PHE 82 Cb 0.32 -1.43 -0.13 0.00 0.35 0.00 0.00 39.48 38.59 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 0.01 -1.00 -5.13 0.05 0.35 -2.97 116.97 108.28 1iyg h TYR 83 Ca 0.74 -0.01 0.37 0.00 0.05 0.00 0.00 58.73 59.88 1iyg h TYR 83 Cb 1.81 -0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.39 1iyg h TYR 83 CO -0.21 1.09 0.56 -0.07 -1.05 0.00 0.00 178.16 178.47 1iyg h LEU 84 N -0.99 0.43 -0.13 3.88 3.38 0.38 1.40 115.31 123.66 1iyg h LEU 84 Ca -0.06 0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1iyg h LEU 84 Cb 1.06 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1iyg h LEU 84 CO -0.03 -0.27 -0.33 0.00 0.09 0.00 0.00 178.44 177.90 1iyg h ALA 85 N 1.92 0.22 -0.44 1.53 0.00 -0.75 0.37 119.26 122.10 1iyg h ALA 85 Ca 0.79 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1iyg h ALA 85 Cb 1.93 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1iyg h ALA 85 CO -0.68 0.27 0.11 0.28 0.00 0.00 0.00 179.25 179.23 1iyg h VAL 86 N 0.05 0.80 -0.07 0.00 2.07 0.17 1.43 116.25 120.71 1iyg h VAL 86 Ca -0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1iyg h VAL 86 Cb 0.94 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1iyg h VAL 86 CO 0.07 0.05 -0.11 1.23 0.02 0.00 0.00 177.57 178.82 1iyg h GLY 87 N 0.26 0.22 0.77 2.17 0.00 0.07 -2.74 103.07 103.81 1iyg h GLY 87 Ca 0.21 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1iyg h GLY 87 CO -0.26 0.22 0.25 3.43 0.00 0.00 0.00 176.54 180.19 1iyg h ASN 88 N -0.27 0.37 -0.51 0.19 2.35 0.15 -2.12 115.58 115.74 1iyg h ASN 88 Ca 0.01 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1iyg h ASN 88 Cb 0.68 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 1iyg h ASN 88 CO 0.03 0.26 0.07 0.22 -1.65 0.00 0.00 177.43 176.36 1iyg h TYR 89 N 0.50 0.10 -0.90 1.19 5.03 0.19 0.15 116.97 123.23 1iyg h TYR 89 Ca 0.21 0.03 0.18 0.00 2.58 0.00 0.00 58.73 61.73 1iyg h TYR 89 Cb 0.10 0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.34 1iyg h TYR 89 CO -0.09 -0.04 0.59 -0.09 -1.32 0.00 0.00 178.16 177.20 1iyg h ARG 90 N 0.20 0.51 -0.71 1.82 1.12 -1.07 1.34 114.38 117.59 1iyg h ARG 90 Ca 0.26 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1iyg h ARG 90 Cb 0.36 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 1iyg h ARG 90 CO -0.36 0.34 0.00 1.28 -3.11 0.00 0.00 179.97 178.12 1iyg n LEU 91 N -4.55 2.19 -1.42 3.80 7.99 0.28 -4.82 117.00 120.47 1iyg n LEU 91 Ca 0.19 -1.11 -0.15 0.00 -0.01 0.00 0.00 56.01 54.93 1iyg n LEU 91 Cb 0.61 -0.46 -0.06 0.00 -0.11 0.00 0.00 43.42 43.40 1iyg n LEU 91 CO 0.29 0.36 -0.14 2.29 -1.51 0.00 0.00 177.39 178.68 1iyg n LYS 92 N 0.20 -1.32 -1.00 3.23 2.85 0.46 -4.78 118.16 117.79 1iyg n LYS 92 Ca 0.09 0.87 -0.15 0.00 -1.05 0.00 0.00 58.31 58.06 1iyg n LYS 92 Cb 0.46 -5.14 -0.05 0.00 -0.65 0.00 0.00 35.03 29.66 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 -1.96 1.85 -0.34 -1.58 -0.58 0.15 -4.64 120.64 113.53 1iyg n GLU 93 Ca -0.15 -1.31 0.17 0.00 -0.42 0.00 0.00 57.16 55.45 1iyg n GLU 93 Cb 0.48 -1.73 0.32 0.00 -0.57 0.00 0.00 31.44 29.95 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 1.27 0.69 -0.05 -0.32 4.01 -1.26 -0.90 117.16 120.59 1iyg n TYR 94 Ca 0.32 1.19 -0.01 0.00 -0.16 0.00 0.00 57.90 59.25 1iyg n TYR 94 Cb 0.64 -1.28 -0.01 0.00 -0.31 0.00 0.00 39.34 38.38 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 -5.46 -0.05 -0.07 -0.72 1.02 -1.26 0.21 120.64 114.30 1iyg n GLU 95 Ca 0.25 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 58.23 1iyg n GLU 95 Cb 0.82 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.36 0.00 3.49 1.79 -1.57 -0.84 116.57 119.80 1iyg h LYS 96 Ca 0.02 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1iyg h LYS 96 Cb 0.05 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1iyg h LYS 96 CO -0.10 0.40 0.00 0.00 -1.08 0.00 0.00 179.45 178.67 1iyg n ALA 97 N -2.25 -0.09 -0.17 3.86 0.00 -0.04 0.06 120.51 121.88 1iyg n ALA 97 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1iyg n ALA 97 Cb 0.13 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.62 -1.25 0.00 3.38 0.24 1.57 115.31 117.63 1iyg h LEU 98 Ca 0.00 0.22 0.44 0.00 0.09 0.00 0.00 57.88 58.63 1iyg h LEU 98 Cb 0.00 0.68 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 1iyg h LEU 98 CO 0.00 -0.31 0.79 1.17 0.09 0.00 0.00 178.44 180.19 1iyg n LYS 99 N -4.93 -0.03 0.06 1.13 4.81 -0.32 0.23 118.16 119.10 1iyg n LYS 99 Ca -0.02 1.16 -0.23 0.00 -0.87 0.00 0.00 58.31 58.36 1iyg n LYS 99 Cb 0.27 -2.28 -0.15 0.00 0.02 0.00 0.00 35.03 32.90 1iyg n LYS 99 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1iyg h TYR 100 N 0.00 0.67 0.37 5.64 0.05 0.48 -2.89 116.97 121.29 1iyg h TYR 100 Ca 0.81 -0.49 -0.02 0.00 0.05 0.00 0.00 58.73 59.08 1iyg h TYR 100 Cb 2.58 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 40.30 1iyg h TYR 100 CO -0.01 1.69 -0.18 0.28 -1.05 0.00 0.00 178.16 178.89 1iyg h VAL 101 N 0.07 0.59 -0.82 -2.88 2.07 1.27 -0.90 116.25 115.64 1iyg h VAL 101 Ca -0.35 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1iyg h VAL 101 Cb 2.06 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1iyg h VAL 101 CO 0.16 0.09 0.54 0.03 0.02 0.00 0.00 177.57 178.40 1iyg h ARG 102 N -0.80 0.85 -0.10 1.57 2.47 0.28 0.44 114.38 119.08 1iyg h ARG 102 Ca -0.05 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1iyg h ARG 102 Cb 0.53 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1iyg h ARG 102 CO 0.08 0.56 0.00 0.41 0.56 0.00 0.00 179.97 181.59 1iyg n GLY 103 N -1.42 -0.45 0.04 0.04 0.00 -1.09 -3.36 105.19 98.94 1iyg n GLY 103 Ca 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1iyg n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iyg n LEU 104 N -0.22 1.65 0.12 0.99 -0.00 0.12 -4.52 117.00 115.15 1iyg n LEU 104 Ca 0.08 -0.03 0.17 0.00 -0.00 0.00 0.00 56.01 56.24 1iyg n LEU 104 Cb 0.13 -0.09 0.74 0.00 -0.00 0.00 0.00 43.42 44.19 1iyg n LEU 104 CO 0.06 0.43 1.15 -0.07 -0.00 0.00 0.00 177.39 178.97 1iyg h LEU 105 N 0.00 0.00 0.20 -1.96 -0.00 -0.74 -1.52 115.31 111.29 1iyg h LEU 105 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1iyg h LEU 105 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.98 1iyg h LEU 105 CO -0.01 0.00 -0.44 1.56 -0.00 0.00 0.00 178.44 179.55 1iyg h GLN 106 N 0.00 -0.67 0.00 1.13 7.50 -1.79 1.64 115.11 122.91 1iyg h GLN 106 Ca 0.15 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.34 1iyg h GLN 106 Cb 0.68 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1iyg h GLN 106 CO -0.00 -0.45 0.00 -2.37 -1.50 0.00 0.00 178.83 174.51 1iyg n THR 107 N -4.97 0.00 -2.91 -0.54 5.66 -0.86 -3.84 114.28 106.81 1iyg n THR 107 Ca -0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.79 1iyg n THR 107 Cb 0.36 -0.37 0.03 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.85 0.88 -0.02 1.09 1.02 0.02 -4.98 120.64 117.79 1iyg n GLU 108 Ca 0.16 -2.38 -0.15 0.00 -0.02 0.00 0.00 57.16 54.77 1iyg n GLU 108 Cb 0.07 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 1iyg n GLU 108 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1iyg h PRO 109 N 3.47 0.22 0.00 3.49 0.13 0.22 -3.19 132.00 136.35 1iyg h PRO 109 Ca -0.05 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1iyg h PRO 109 Cb 1.01 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1iyg h PRO 109 CO 0.32 0.92 -0.05 -0.56 -0.23 0.00 0.00 178.00 178.40 1iyg h GLN 110 N -0.39 0.00 -6.42 0.86 3.07 -1.93 -3.44 115.11 106.87 1iyg h GLN 110 Ca -0.03 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.18 1iyg h GLN 110 Cb 1.00 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.58 1iyg h GLN 110 CO 0.06 0.05 1.13 1.21 0.09 0.00 0.00 178.83 181.37 1iyg s ASN 111 N -5.77 6.49 -0.07 0.06 3.84 -1.20 -4.88 114.94 113.41 1iyg s ASN 111 Ca 0.00 2.62 -0.24 0.00 0.21 0.00 0.00 52.86 55.45 1iyg s ASN 111 Cb 0.10 -2.55 -0.26 0.00 -0.55 0.00 0.00 41.25 37.98 1iyg s ASN 111 CO 0.55 -0.99 0.93 0.78 -2.79 0.00 0.00 177.10 175.58 1iyg h ASN 112 N 9.38 0.27 -1.57 -4.21 4.21 -1.87 -2.40 115.58 119.38 1iyg h ASN 112 Ca -0.46 -0.88 0.47 0.00 1.21 0.00 0.00 56.30 56.64 1iyg h ASN 112 Cb 1.22 -0.08 -0.09 0.00 -1.12 0.00 0.00 38.32 38.24 1iyg h ASN 112 CO 0.94 1.12 1.09 1.56 -1.29 0.00 0.00 177.43 180.86 1iyg h GLN 113 N -0.55 0.04 0.00 0.81 4.20 -1.90 0.71 115.11 118.42 1iyg h GLN 113 Ca -0.06 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1iyg h GLN 113 Cb 1.22 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1iyg h GLN 113 CO 0.07 0.03 -0.74 0.00 -0.67 0.00 0.00 178.83 177.52 1iyg h ALA 114 N 1.31 0.15 -0.14 3.87 0.00 -1.87 -3.23 119.26 119.35 1iyg h ALA 114 Ca 0.82 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1iyg h ALA 114 Cb 3.01 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 21.17 1iyg h ALA 114 CO -0.16 0.42 -0.47 0.87 0.00 0.00 0.00 179.25 179.91 1iyg h LYS 115 N -1.00 -0.51 -0.31 0.00 1.57 0.32 -0.33 116.57 116.31 1iyg h LYS 115 Ca -0.20 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1iyg h LYS 115 Cb 1.13 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 1iyg h LYS 115 CO -0.12 -0.34 -0.43 0.93 -0.57 0.00 0.00 179.45 178.92 1iyg h GLU 116 N -0.53 -0.29 -0.81 3.15 4.39 -0.01 -0.83 114.58 119.64 1iyg h GLU 116 Ca 0.06 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.86 1iyg h GLU 116 Cb 0.65 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.26 1iyg h GLU 116 CO -0.42 -0.19 -0.56 1.25 -1.16 0.00 0.00 179.01 177.92 1iyg h LEU 117 N -0.30 -2.02 -0.87 1.33 6.46 -1.44 1.33 115.31 119.80 1iyg h LEU 117 Ca 0.06 0.30 0.12 0.00 -0.12 0.00 0.00 57.88 58.23 1iyg h LEU 117 Cb 0.45 0.88 -0.14 0.00 -0.73 0.00 0.00 40.66 41.12 1iyg h LEU 117 CO -0.45 -0.27 -0.44 -0.08 -0.62 0.00 0.00 178.44 176.58 1iyg h GLU 118 N -0.10 -0.06 -0.56 1.25 4.22 -0.02 0.93 114.58 120.24 1iyg h GLU 118 Ca 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.53 1iyg h GLU 118 Cb 0.44 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1iyg h GLU 118 CO -0.82 -0.04 0.16 0.00 -2.18 0.00 0.00 179.01 176.13 1iyg h ARG 119 N -0.07 0.84 0.00 1.92 3.08 0.69 -1.19 114.38 119.66 1iyg h ARG 119 Ca 0.26 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1iyg h ARG 119 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1iyg h ARG 119 CO -0.89 0.74 0.00 1.28 -1.07 0.00 0.00 179.97 180.03 1iyg n LEU 120 N -4.29 0.00 -0.31 3.04 4.77 0.43 -2.04 117.00 118.60 1iyg n LEU 120 Ca 0.04 0.91 0.14 0.00 -0.03 0.00 0.00 56.01 57.07 1iyg n LEU 120 Cb 0.21 -0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.18 1iyg n LEU 120 CO 0.40 -0.41 0.88 0.40 -1.33 0.00 0.00 177.39 177.33 1iyg h ILE 121 N 0.00 0.18 -0.88 -0.08 2.04 -0.11 1.28 117.51 119.94 1iyg h ILE 121 Ca 0.00 -0.03 0.24 0.00 1.00 0.00 0.00 64.86 66.06 1iyg h ILE 121 Cb 0.00 0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 36.01 1iyg h ILE 121 CO 0.00 0.02 0.25 -0.78 0.00 0.00 0.00 178.15 177.63 1iyg h ASP 122 N 0.10 0.01 0.07 1.72 1.82 -1.04 0.27 116.42 119.37 1iyg h ASP 122 Ca 0.57 0.20 -0.17 0.00 -0.39 0.00 0.00 57.03 57.24 1iyg h ASP 122 Cb 1.18 0.26 0.02 0.00 0.68 0.00 0.00 39.33 41.47 1iyg h ASP 122 CO -0.77 -0.16 -0.70 0.11 -1.61 0.00 0.00 179.24 176.11 1iyg h LYS 123 N 0.21 0.35 -0.97 0.28 1.57 0.20 -3.24 116.57 114.97 1iyg h LYS 123 Ca 0.56 -0.47 0.31 0.00 -1.87 0.00 0.00 60.65 59.18 1iyg h LYS 123 Cb 1.13 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 33.45 1iyg h LYS 123 CO -0.66 1.17 0.47 0.00 -0.57 0.00 0.00 179.45 179.86 1iyg h ALA 124 N 0.21 1.79 -0.58 3.86 0.00 0.26 1.05 119.26 125.85 1iyg h ALA 124 Ca -0.11 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1iyg h ALA 124 Cb 1.47 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1iyg h ALA 124 CO 0.13 -0.59 0.26 0.52 0.00 0.00 0.00 179.25 179.57 1iyg h MET 125 N 0.25 0.84 -0.98 0.00 2.86 -0.68 -1.68 114.93 115.54 1iyg h MET 125 Ca 0.70 -0.13 -0.32 0.00 -2.06 0.00 0.00 59.70 57.89 1iyg h MET 125 Cb 1.60 -0.15 -0.19 0.00 0.06 0.00 0.00 31.60 32.92 1iyg h MET 125 CO -0.65 0.70 0.40 1.63 1.06 0.00 0.00 176.91 180.05 1iyg n LYS 126 N -4.52 1.96 0.00 1.72 4.76 0.34 -4.00 118.16 118.42 1iyg n LYS 126 Ca 0.03 -1.99 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1iyg n LYS 126 Cb 0.14 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1iyg n LYS 126 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iyg n LYS 127 N -0.51 0.00 -3.94 1.97 5.02 0.31 -5.00 118.16 116.02 1iyg n LYS 127 Ca 0.38 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.52 1iyg n LYS 127 Cb 1.25 -0.47 -0.15 0.00 -0.02 0.00 0.00 35.03 35.64 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iyg s SER 128 N -5.05 0.27 0.00 4.39 1.04 -0.76 -5.08 113.70 108.51 1iyg s SER 128 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1iyg s SER 128 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1iyg s SER 128 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1iyg n GLY 129 N 3.56 3.57 0.13 7.32 0.00 -1.26 -4.66 105.19 113.85 1iyg n GLY 129 Ca -0.20 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1iyg n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iyg h PRO 130 N 0.00 -0.21 -4.90 1.61 0.13 -2.01 -3.43 132.00 123.19 1iyg h PRO 130 Ca 0.00 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.47 1iyg h PRO 130 Cb 0.00 0.05 -0.32 0.00 0.13 0.00 0.00 31.00 30.85 1iyg h PRO 130 CO 0.00 0.13 -0.75 -1.54 -0.23 0.00 0.00 178.00 175.61 1iyg s SER 131 N -5.45 4.33 -0.14 1.44 1.04 -1.26 -4.99 113.70 108.67 1iyg s SER 131 Ca -0.09 -0.94 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 1iyg s SER 131 Cb 0.00 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.44 1iyg s SER 131 CO 0.34 -0.14 -0.18 -0.24 0.98 0.00 0.00 173.24 173.99 1iyg n SER 132 N 4.64 1.81 -0.24 7.02 2.88 -1.26 -5.17 113.62 123.30 1iyg n SER 132 Ca -0.16 0.62 0.03 0.00 -1.33 0.00 0.00 58.87 58.03 1iyg n SER 132 Cb 0.46 -0.87 0.03 0.00 -0.75 0.00 0.00 64.21 63.08 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42