#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyg n SER 2 N 0.00 -7.51 -4.35 1.61 7.64 -1.26 -5.00 113.62 104.76 1iyg n SER 2 Ca 0.00 0.70 -0.33 0.00 1.01 0.00 0.00 58.87 60.25 1iyg n SER 2 Cb 0.00 -4.49 -0.15 0.00 -1.01 0.00 0.00 64.21 58.56 1iyg n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1iyg s SER 3 N -2.00 3.83 0.62 6.43 0.01 -1.26 -5.12 113.70 116.21 1iyg s SER 3 Ca 0.17 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 1iyg s SER 3 Cb -0.04 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.69 1iyg s SER 3 CO 0.72 0.17 0.92 -0.83 0.41 0.00 0.00 173.24 174.63 1iyg s GLY 4 N 0.29 1.65 -0.20 3.44 0.00 -1.26 -5.05 107.32 106.19 1iyg s GLY 4 Ca -0.11 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 1iyg s GLY 4 CO 0.06 -0.54 -0.28 -1.26 0.00 0.00 0.00 173.10 171.09 1iyg n SER 5 N -2.66 1.92 -4.76 1.64 2.88 -1.26 -4.96 113.62 106.42 1iyg n SER 5 Ca 0.06 0.39 -0.38 0.00 -1.33 0.00 0.00 58.87 57.61 1iyg n SER 5 Cb 0.59 -0.80 0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1iyg n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1iyg s SER 6 N -6.37 5.50 0.00 -3.46 1.04 -1.26 -4.87 113.70 104.28 1iyg s SER 6 Ca -0.29 2.63 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1iyg s SER 6 Cb 0.07 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1iyg s SER 6 CO 0.42 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1iyg n GLY 7 N 0.65 -0.71 0.22 7.32 0.00 -1.26 -5.04 105.19 106.37 1iyg n GLY 7 Ca 0.10 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 0.18 0.10 1.61 1.56 -1.26 -3.90 117.12 115.41 1iyg n MET 8 Ca 0.00 0.05 0.06 0.00 -0.27 0.00 0.00 57.70 57.54 1iyg n MET 8 Cb 0.00 -1.06 0.33 0.00 2.15 0.00 0.00 33.22 34.65 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 -2.89 0.08 -0.11 2.12 2.13 -1.26 0.32 120.64 121.03 1iyg n GLU 9 Ca -0.14 0.55 -0.22 0.00 0.66 0.00 0.00 57.16 58.01 1iyg n GLU 9 Cb 0.63 -1.83 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 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 -1.62 1.45 -0.27 4.31 0.00 -1.26 -4.14 120.51 118.98 1iyg n ALA 10 Ca -0.01 -0.89 0.09 0.00 0.00 0.00 0.00 53.44 52.63 1iyg n ALA 10 Cb 0.09 0.18 0.33 0.00 0.00 0.00 0.00 19.45 20.05 1iyg n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1iyg h VAL 11 N -0.84 0.92 0.00 0.00 3.04 -1.51 1.43 116.25 119.30 1iyg h VAL 11 Ca -0.50 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1iyg h VAL 11 Cb 1.41 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1iyg h VAL 11 CO -0.30 0.15 0.00 0.18 -1.01 0.00 0.00 177.57 176.58 1iyg n LEU 12 N -4.54 0.00 -0.00 3.16 4.32 0.15 -3.88 117.00 116.21 1iyg n LEU 12 Ca 0.16 0.10 -0.01 0.00 -0.02 0.00 0.00 56.01 56.24 1iyg n LEU 12 Cb 0.37 -0.10 -0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1iyg n LEU 12 CO 0.31 -0.02 -0.08 0.59 -1.22 0.00 0.00 177.39 176.96 1iyg n ASN 13 N -1.10 0.36 -4.53 -1.43 3.02 0.41 -5.02 115.26 106.96 1iyg n ASN 13 Ca 0.16 0.05 -0.43 0.00 -0.03 0.00 0.00 54.58 54.33 1iyg n ASN 13 Cb 0.12 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.84 0.98 -3.22 3.52 0.00 0.31 -4.99 120.64 114.39 1iyg n GLU 14 Ca -0.02 0.35 -0.15 0.00 0.00 0.00 0.00 57.16 57.35 1iyg n GLU 14 Cb 0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 1iyg n GLU 14 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1iyg n LEU 15 N 1.08 0.00 0.00 4.31 -0.00 -1.26 -4.83 117.00 116.31 1iyg n LEU 15 Ca 0.11 -1.46 -0.15 0.00 -0.00 0.00 0.00 56.01 54.51 1iyg n LEU 15 Cb 0.36 0.21 0.05 0.00 -0.00 0.00 0.00 43.42 44.05 1iyg n LEU 15 CO 0.57 -0.21 0.28 0.55 -0.00 0.00 0.00 177.39 178.58 1iyg n VAL 16 N -0.56 0.00 -4.26 1.47 3.14 -0.64 -4.89 118.33 112.58 1iyg n VAL 16 Ca -0.09 -1.40 -0.20 0.00 -2.96 0.00 0.00 64.34 59.69 1iyg n VAL 16 Cb 0.29 -0.68 -0.16 0.00 -1.06 0.00 0.00 33.84 32.24 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 -3.68 1.05 0.20 6.55 0.01 -1.26 -4.42 113.70 112.15 1iyg s SER 17 Ca 0.45 -0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 1iyg s SER 17 Cb -0.03 -0.43 0.18 0.00 0.21 0.00 0.00 66.02 65.94 1iyg s SER 17 CO 0.29 -0.01 1.59 0.58 0.41 0.00 0.00 173.24 176.10 1iyg h VAL 18 N 5.88 0.16 -1.47 3.43 2.07 -1.99 1.51 116.25 125.84 1iyg h VAL 18 Ca -0.36 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.59 1iyg h VAL 18 Cb 1.16 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1iyg h VAL 18 CO 0.48 0.00 1.13 -0.08 0.02 0.00 0.00 177.57 179.13 1iyg h GLU 19 N -0.11 0.00 0.00 1.57 4.22 -1.98 1.06 114.58 119.34 1iyg h GLU 19 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1iyg h GLU 19 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1iyg h GLU 19 CO -0.74 0.00 -0.44 -0.25 -2.18 0.00 0.00 179.01 175.40 1iyg n ASP 20 N -3.92 1.35 -0.27 1.04 9.92 0.47 -3.17 116.55 121.98 1iyg n ASP 20 Ca 0.33 0.49 -0.03 0.00 -0.53 0.00 0.00 54.79 55.04 1iyg n ASP 20 Cb 1.59 -0.76 0.03 0.00 -0.64 0.00 0.00 41.12 41.34 1iyg n ASP 20 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1iyg h LEU 21 N -0.74 -1.21 -0.84 0.64 6.46 0.79 0.91 115.31 121.33 1iyg h LEU 21 Ca 0.00 0.26 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1iyg h LEU 21 Cb 0.44 0.63 -0.06 0.00 -0.73 0.00 0.00 40.66 40.94 1iyg h LEU 21 CO 0.00 -0.29 0.52 0.07 -0.62 0.00 0.00 178.44 178.12 1iyg h LYS 22 N -0.09 0.94 -0.78 1.25 5.09 0.90 1.07 116.57 124.95 1iyg h LYS 22 Ca 0.29 -0.06 0.23 0.00 0.09 0.00 0.00 60.65 61.20 1iyg h LYS 22 Cb 0.57 -0.21 -0.03 0.00 0.10 0.00 0.00 32.23 32.66 1iyg h LYS 22 CO -0.80 0.62 0.61 -0.97 -2.09 0.00 0.00 179.45 176.82 1iyg h ASN 23 N 0.97 0.00 0.02 7.07 -1.24 0.85 -1.37 115.58 121.88 1iyg h ASN 23 Ca 0.36 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.98 1iyg h ASN 23 Cb 0.14 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.13 1iyg h ASN 23 CO -0.16 0.00 -2.35 0.49 -1.29 0.00 0.00 177.43 174.12 1iyg n PHE 24 N -4.13 0.27 -0.35 0.67 3.01 0.50 -4.46 117.46 112.97 1iyg n PHE 24 Ca 0.16 0.07 -0.05 0.00 1.01 0.00 0.00 57.45 58.63 1iyg n PHE 24 Cb 0.89 -1.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1iyg n PHE 24 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1iyg n GLU 25 N -3.53 -0.29 -0.26 -1.08 2.13 0.34 0.11 120.64 118.06 1iyg n GLU 25 Ca -0.44 1.32 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1iyg n GLU 25 Cb 0.97 -1.94 0.07 0.00 0.27 0.00 0.00 31.44 30.81 1iyg n GLU 25 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1iyg h ARG 26 N 0.00 -0.03 -0.17 5.31 0.11 -1.69 -0.75 114.38 117.16 1iyg h ARG 26 Ca 0.22 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.32 1iyg h ARG 26 Cb 0.43 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 1iyg h ARG 26 CO -0.83 -0.02 -0.30 -0.22 0.10 0.00 0.00 179.97 178.69 1iyg h LYS 27 N -0.03 -0.24 -0.47 0.08 3.64 0.59 0.22 116.57 120.35 1iyg h LYS 27 Ca 0.34 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1iyg h LYS 27 Cb 0.56 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1iyg h LYS 27 CO -0.77 -0.16 -0.42 0.35 -2.27 0.00 0.00 179.45 176.18 1iyg h PHE 28 N -0.25 -1.30 -0.06 1.91 3.57 -0.72 1.12 116.94 121.21 1iyg h PHE 28 Ca 0.03 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1iyg h PHE 28 Cb 0.34 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1iyg h PHE 28 CO -0.62 -0.32 -0.08 1.96 -2.23 0.00 0.00 178.31 177.02 1iyg h GLN 29 N -0.17 -0.05 -0.25 1.11 4.20 -0.75 0.94 115.11 120.14 1iyg h GLN 29 Ca 0.08 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1iyg h GLN 29 Cb 0.38 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 1iyg h GLN 29 CO -0.54 -0.04 -0.50 1.03 -0.67 0.00 0.00 178.83 178.11 1iyg h SER 30 N -0.06 -1.64 -1.18 1.46 0.87 -0.12 0.49 113.55 113.37 1iyg h SER 30 Ca 0.01 0.21 0.34 0.00 -1.23 0.00 0.00 61.79 61.11 1iyg h SER 30 Cb 0.09 0.66 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 1iyg h SER 30 CO -0.09 -0.40 0.82 -0.33 -0.53 0.00 0.00 176.83 176.29 1iyg h GLU 31 N -0.45 0.14 0.83 2.24 4.39 0.18 0.61 114.58 122.51 1iyg h GLU 31 Ca 0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1iyg h GLU 31 Cb 0.58 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1iyg h GLU 31 CO -0.47 0.09 -0.40 0.37 -1.16 0.00 0.00 179.01 177.44 1iyg h GLN 32 N 0.14 -1.08 0.00 2.33 4.15 0.58 -2.01 115.11 119.22 1iyg h GLN 32 Ca 0.62 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.11 1iyg h GLN 32 Cb 2.11 0.24 0.00 0.00 0.21 0.00 0.00 27.48 30.04 1iyg h GLN 32 CO -0.15 -0.72 0.00 0.00 -1.93 0.00 0.00 178.83 176.04 1iyg n ALA 33 N -2.69 1.59 0.07 3.38 0.00 -0.08 -1.70 120.51 121.08 1iyg n ALA 33 Ca -0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1iyg n ALA 33 Cb 0.44 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 2.45 0.48 0.00 0.00 0.00 0.62 -3.47 119.26 119.34 1iyg h ALA 34 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1iyg h ALA 34 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iyg h ALA 34 CO 0.00 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1iyg n GLY 35 N 0.79 1.61 0.00 0.00 0.00 -0.69 -5.06 105.19 101.84 1iyg n GLY 35 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.71 1.61 7.64 -0.80 -4.98 113.62 112.38 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 0.52 -3.01 0.00 0.00 175.04 172.55 1iyg n VAL 37 N 0.00 0.16 -1.82 0.44 0.31 -1.22 -4.69 118.33 111.51 1iyg n VAL 37 Ca 0.00 -0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 1iyg n VAL 37 Cb 0.00 -2.05 0.04 0.00 -0.91 0.00 0.00 33.84 30.93 1iyg n VAL 37 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1iyg s SER 38 N 1.83 5.12 0.13 4.52 0.01 -1.26 -4.78 113.70 119.27 1iyg s SER 38 Ca 0.78 2.08 -0.28 0.00 1.31 0.00 0.00 55.95 59.84 1iyg s SER 38 Cb -0.49 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.12 1iyg s SER 38 CO 0.34 -1.63 1.59 0.11 0.41 0.00 0.00 173.24 174.07 1iyg h LYS 39 N 0.23 -0.47 -0.34 12.44 1.57 -1.96 0.26 116.57 128.30 1iyg h LYS 39 Ca -0.48 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1iyg h LYS 39 Cb 1.26 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 1iyg h LYS 39 CO 0.54 -0.31 -0.23 0.77 -0.57 0.00 0.00 179.45 179.65 1iyg h SER 40 N -0.49 -0.84 -0.73 0.86 0.02 -1.98 1.06 113.55 111.45 1iyg h SER 40 Ca 0.07 0.12 0.14 0.00 -0.84 0.00 0.00 61.79 61.29 1iyg h SER 40 Cb 0.61 0.37 -0.10 0.00 0.14 0.00 0.00 62.40 63.42 1iyg h SER 40 CO -0.35 -0.11 0.25 0.74 -1.14 0.00 0.00 176.83 176.22 1iyg h THR 41 N -0.04 0.62 0.27 -2.27 2.02 -1.84 1.50 112.91 113.17 1iyg h THR 41 Ca 0.06 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1iyg h THR 41 Cb 0.18 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1iyg h THR 41 CO -0.34 0.07 -0.20 -0.61 0.37 0.00 0.00 175.52 174.80 1iyg h GLN 42 N 0.38 -0.44 -0.79 6.66 4.15 0.30 0.53 115.11 125.90 1iyg h GLN 42 Ca 0.40 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.91 1iyg h GLN 42 Cb 0.63 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 1iyg h GLN 42 CO -0.43 -0.29 0.52 0.35 -1.93 0.00 0.00 178.83 177.05 1iyg h PHE 43 N -0.46 0.87 0.00 3.99 3.57 0.14 0.13 116.94 125.18 1iyg h PHE 43 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iyg h PHE 43 Cb 0.38 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1iyg h PHE 43 CO -0.05 0.46 0.00 0.39 -2.23 0.00 0.00 178.31 176.88 1iyg n GLU 44 N -4.48 0.00 -0.33 1.11 1.02 0.51 0.80 120.64 119.27 1iyg n GLU 44 Ca 0.12 0.29 0.20 0.00 -0.02 0.00 0.00 57.16 57.75 1iyg n GLU 44 Cb 0.21 -1.23 0.42 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.29 -0.32 3.20 0.08 0.61 116.97 121.16 1iyg h TYR 45 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1iyg h TYR 45 Cb 0.00 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1iyg h TYR 45 CO 0.12 -0.07 0.05 0.00 -1.64 0.00 0.00 178.16 176.61 1iyg h ALA 46 N 1.79 0.39 0.00 1.82 0.00 -0.72 -0.71 119.26 121.83 1iyg h ALA 46 Ca 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 1iyg h ALA 46 Cb 1.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1iyg h ALA 46 CO -0.55 0.08 -0.12 2.35 0.00 0.00 0.00 179.25 181.01 1iyg h TRP 47 N 0.31 0.00 -0.46 0.00 -0.00 0.53 -0.27 115.95 116.06 1iyg h TRP 47 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.85 1iyg h TRP 47 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1iyg h TRP 47 CO 0.02 0.12 -0.23 0.00 -0.00 0.00 0.00 178.44 178.36 1iyg h LEU 49 N 0.82 -0.55 -1.88 0.00 3.38 0.38 0.99 115.31 118.44 1iyg h LEU 49 Ca 0.10 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.51 1iyg h LEU 49 Cb 0.79 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1iyg h LEU 49 CO 0.07 -0.36 1.01 -0.37 0.09 0.00 0.00 178.44 178.88 1iyg h VAL 50 N -0.73 0.26 0.14 1.22 -1.51 -1.31 1.76 116.25 116.08 1iyg h VAL 50 Ca -0.07 -0.01 -0.29 0.00 -1.23 0.00 0.00 66.70 65.10 1iyg h VAL 50 Cb 0.50 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1iyg h VAL 50 CO 0.11 0.01 -1.37 0.03 -1.23 0.00 0.00 177.57 175.12 1iyg h ARG 51 N 0.04 0.29 -5.77 5.19 3.08 -0.90 -3.43 114.38 112.87 1iyg h ARG 51 Ca 0.71 -0.49 -0.54 0.00 0.07 0.00 0.00 59.98 59.73 1iyg h ARG 51 Cb 2.70 0.18 0.22 0.00 0.08 0.00 0.00 29.97 33.16 1iyg h ARG 51 CO -0.08 1.20 -1.71 0.45 -1.07 0.00 0.00 179.97 178.76 1iyg n SER 52 N -3.52 -5.53 -0.05 7.04 2.88 0.60 -1.62 113.62 113.41 1iyg n SER 52 Ca -0.12 0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.50 1iyg n SER 52 Cb 1.04 -0.74 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1iyg n SER 52 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iyg h LYS 53 N -0.84 0.82 -7.11 -1.46 2.10 -1.82 -3.41 116.57 104.84 1iyg h LYS 53 Ca -0.42 -0.59 -0.50 0.00 -2.00 0.00 0.00 60.65 57.15 1iyg h LYS 53 Cb 1.27 0.10 0.07 0.00 -0.90 0.00 0.00 32.23 32.76 1iyg h LYS 53 CO 0.24 1.21 0.41 0.71 -2.00 0.00 0.00 179.45 180.02 1iyg s TYR 54 N -3.95 2.74 -0.13 0.07 1.51 -1.26 -4.98 117.35 111.36 1iyg s TYR 54 Ca -0.10 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 57.41 1iyg s TYR 54 Cb 0.10 -3.20 -0.25 0.00 -0.11 0.00 0.00 41.96 38.49 1iyg s TYR 54 CO 0.90 -1.43 0.36 -2.95 -1.11 0.00 0.00 175.55 171.32 1iyg h ASN 55 N 0.97 0.36 -0.95 2.29 7.08 -1.93 -3.30 115.58 120.09 1iyg h ASN 55 Ca -0.49 -0.87 0.28 0.00 -3.08 0.00 0.00 56.30 52.13 1iyg h ASN 55 Cb 1.25 -0.12 -0.04 0.00 -2.08 0.00 0.00 38.32 37.33 1iyg h ASN 55 CO 0.57 1.79 0.81 -0.33 -2.08 0.00 0.00 177.43 178.19 1iyg h GLU 56 N -0.13 0.00 0.20 4.14 5.08 -1.98 0.84 114.58 122.74 1iyg h GLU 56 Ca -0.40 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.69 1iyg h GLU 56 Cb 1.90 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.18 1iyg h GLU 56 CO 0.04 0.00 -1.18 -0.44 -1.00 0.00 0.00 179.01 176.43 1iyg h ASP 57 N 0.00 0.69 -0.87 1.42 5.19 -1.90 -3.30 116.42 117.65 1iyg h ASP 57 Ca 0.45 -0.93 0.22 0.00 -0.62 0.00 0.00 57.03 56.15 1iyg h ASP 57 Cb 2.07 -0.22 -0.16 0.00 0.18 0.00 0.00 39.33 41.20 1iyg h ASP 57 CO -0.00 1.57 0.01 0.40 -3.12 0.00 0.00 179.24 178.09 1iyg h ILE 58 N -0.07 0.19 -0.36 0.35 2.04 0.64 0.70 117.51 121.00 1iyg h ILE 58 Ca -0.20 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1iyg h ILE 58 Cb 1.93 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1iyg h ILE 58 CO 0.22 0.01 0.09 -0.09 0.00 0.00 0.00 178.15 178.38 1iyg h ARG 59 N 0.07 0.21 0.00 2.37 2.43 -1.56 0.36 114.38 118.25 1iyg h ARG 59 Ca 0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1iyg h ARG 59 Cb 0.95 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1iyg h ARG 59 CO -0.79 0.14 0.00 0.54 -1.51 0.00 0.00 179.97 178.34 1iyg n ARG 60 N -5.07 0.08 -0.05 0.20 1.74 0.23 -1.85 116.66 111.94 1iyg n ARG 60 Ca 0.02 0.51 -0.22 0.00 -0.77 0.00 0.00 57.85 57.38 1iyg n ARG 60 Cb 0.15 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.74 1iyg n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iyg n GLY 61 N -0.99 -0.59 0.46 -0.13 0.00 0.10 -4.17 105.19 99.86 1iyg n GLY 61 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.27 0.13 -0.47 -0.61 2.04 -0.12 -0.54 117.51 117.68 1iyg h ILE 62 Ca -0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1iyg h ILE 62 Cb 1.81 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1iyg h ILE 62 CO -0.04 0.00 -0.28 0.55 0.00 0.00 0.00 178.15 178.38 1iyg n VAL 63 N -5.56 -0.32 -0.06 1.67 3.14 -0.93 0.27 118.33 116.55 1iyg n VAL 63 Ca -0.13 1.49 -0.07 0.00 -2.96 0.00 0.00 64.34 62.67 1iyg n VAL 63 Cb 0.44 -1.88 -0.01 0.00 -1.06 0.00 0.00 33.84 31.33 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1iyg h LEU 64 N 0.00 -0.49 -0.54 6.55 3.38 -1.68 0.83 115.31 123.36 1iyg h LEU 64 Ca 0.08 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1iyg h LEU 64 Cb 0.19 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1iyg h LEU 64 CO -0.44 -0.19 0.12 -0.07 0.09 0.00 0.00 178.44 177.96 1iyg h LEU 65 N -0.13 0.03 -0.85 1.67 4.07 0.30 0.72 115.31 121.13 1iyg h LEU 65 Ca 0.14 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1iyg h LEU 65 Cb 0.33 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1iyg h LEU 65 CO -0.33 0.04 0.00 -0.33 -1.08 0.00 0.00 178.44 176.74 1iyg h GLU 66 N 0.26 0.00 0.12 1.13 5.08 0.52 0.53 114.58 122.23 1iyg h GLU 66 Ca 0.27 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.32 1iyg h GLU 66 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1iyg h GLU 66 CO -0.34 0.00 -1.61 0.93 -1.00 0.00 0.00 179.01 176.99 1iyg h GLU 67 N 0.00 0.26 0.00 2.33 5.08 0.62 -3.32 114.58 119.54 1iyg h GLU 67 Ca 0.00 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1iyg h GLU 67 Cb 0.43 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1iyg h GLU 67 CO 0.00 1.12 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.45 1iyg h LEU 68 N 0.07 0.00 -0.67 1.33 3.38 0.34 -3.15 115.31 116.61 1iyg h LEU 68 Ca -0.27 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1iyg h LEU 68 Cb 2.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.70 1iyg h LEU 68 CO 0.15 0.47 -0.41 -0.07 0.09 0.00 0.00 178.44 178.67 1iyg h LEU 69 N 0.00 -1.50 -0.57 1.67 -0.00 -1.00 0.31 115.31 114.22 1iyg h LEU 69 Ca -0.03 0.23 -0.12 0.00 -0.00 0.00 0.00 57.88 57.96 1iyg h LEU 69 Cb 1.38 0.66 -0.02 0.00 -0.00 0.00 0.00 40.66 42.68 1iyg h LEU 69 CO 0.06 -0.17 -0.56 1.55 -0.00 0.00 0.00 178.44 179.32 1iyg h PRO 70 N -0.02 0.00 -1.63 1.13 0.13 -1.75 -3.17 132.00 126.69 1iyg h PRO 70 Ca 0.11 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.73 1iyg h PRO 70 Cb 0.30 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.23 1iyg h PRO 70 CO -0.64 0.56 0.59 1.63 -0.23 0.00 0.00 178.00 179.91 1iyg n LYS 71 N -3.51 2.30 -3.69 0.86 5.02 0.64 -4.88 118.16 114.90 1iyg n LYS 71 Ca -0.00 -2.43 -0.10 0.00 -2.02 0.00 0.00 58.31 53.76 1iyg n LYS 71 Cb 0.65 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.35 -0.17 0.26 0.72 0.00 0.75 -4.76 107.32 103.78 1iyg s GLY 72 Ca 0.50 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.03 1iyg s GLY 72 CO -0.13 -0.29 0.23 1.44 0.00 0.00 0.00 173.10 174.35 1iyg n SER 73 N -0.29 -1.35 -0.07 1.64 7.64 -1.26 -4.82 113.62 115.11 1iyg n SER 73 Ca -0.13 -0.59 -0.12 0.00 1.01 0.00 0.00 58.87 59.04 1iyg n SER 73 Cb 0.63 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 0.00 1.43 1.63 -2.00 -2.61 116.57 115.02 1iyg h LYS 74 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1iyg h LYS 74 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1iyg h LYS 74 CO 0.06 0.73 0.00 0.39 -3.45 0.00 0.00 179.45 177.18 1iyg n GLU 75 N -4.60 0.10 0.01 1.90 1.02 -1.26 -1.54 120.64 116.28 1iyg n GLU 75 Ca -0.13 0.52 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 1iyg n GLU 75 Cb 0.41 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 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 0.28 -0.49 3.49 5.08 -1.93 -3.34 114.58 117.67 1iyg h GLU 76 Ca 0.00 -0.49 0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1iyg h GLU 76 Cb 0.10 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1iyg h GLU 76 CO 0.00 1.23 0.37 1.96 -1.00 0.00 0.00 179.01 181.58 1iyg h GLN 77 N 0.07 0.00 -0.30 2.33 4.20 -0.87 0.34 115.11 120.88 1iyg h GLN 77 Ca -0.41 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.24 1iyg h GLN 77 Cb 2.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.80 1iyg h GLN 77 CO 0.10 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.19 1iyg h ARG 78 N 0.00 0.48 0.00 1.46 -0.00 -1.66 -0.25 114.38 114.41 1iyg h ARG 78 Ca 0.23 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.98 59.45 1iyg h ARG 78 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.87 1iyg h ARG 78 CO -0.00 0.56 -0.67 0.22 0.00 0.00 0.00 179.97 180.07 1iyg h ASP 79 N 0.45 0.00 0.00 7.04 3.58 -0.52 -3.09 116.42 123.89 1iyg h ASP 79 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1iyg h ASP 79 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1iyg h ASP 79 CO 0.02 0.67 0.00 -1.22 -2.88 0.00 0.00 179.24 175.83 1iyg n TYR 80 N -3.40 0.00 -0.34 0.28 4.01 -0.70 -3.57 117.16 113.44 1iyg n TYR 80 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 1iyg n TYR 80 Cb 0.75 -0.40 0.08 0.00 -0.31 0.00 0.00 39.34 39.47 1iyg n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 81 N -1.70 -0.43 -0.34 -0.72 0.31 -0.19 0.22 118.33 115.49 1iyg n VAL 81 Ca 0.00 2.09 0.33 0.00 -0.01 0.00 0.00 64.34 66.75 1iyg n VAL 81 Cb 0.00 -2.82 0.60 0.00 -0.91 0.00 0.00 33.84 30.70 1iyg n VAL 81 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1iyg n PHE 82 N -5.40 1.08 -0.08 3.52 7.35 -1.17 -0.48 117.46 122.28 1iyg n PHE 82 Ca 0.12 1.09 -0.16 0.00 -0.76 0.00 0.00 57.45 57.74 1iyg n PHE 82 Cb 0.41 -1.50 -0.11 0.00 0.35 0.00 0.00 39.48 38.63 1iyg n PHE 82 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1iyg h TYR 83 N 0.00 0.00 -1.17 -5.13 0.05 0.26 -3.05 116.97 107.93 1iyg h TYR 83 Ca 0.84 0.00 0.44 0.00 0.05 0.00 0.00 58.73 60.07 1iyg h TYR 83 Cb 2.32 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.90 1iyg h TYR 83 CO -0.01 1.08 0.70 1.28 -1.05 0.00 0.00 178.16 180.16 1iyg n LEU 84 N -4.55 0.28 -0.03 3.88 4.32 0.37 0.20 117.00 121.46 1iyg n LEU 84 Ca -0.18 1.51 -0.15 0.00 -0.02 0.00 0.00 56.01 57.17 1iyg n LEU 84 Cb 0.52 -0.74 -0.11 0.00 -1.62 0.00 0.00 43.42 41.47 1iyg n LEU 84 CO 0.25 -1.67 0.42 0.00 -1.22 0.00 0.00 177.39 175.16 1iyg h ALA 85 N 1.78 0.05 -0.53 -1.18 0.00 -1.10 0.20 119.26 118.48 1iyg h ALA 85 Ca 0.86 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 55.41 1iyg h ALA 85 Cb 2.51 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.23 1iyg h ALA 85 CO -0.62 0.07 0.10 0.28 0.00 0.00 0.00 179.25 179.08 1iyg h VAL 86 N -0.46 0.69 -0.07 0.00 2.07 0.24 1.46 116.25 120.17 1iyg h VAL 86 Ca -0.03 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1iyg h VAL 86 Cb 0.96 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1iyg h VAL 86 CO 0.05 0.04 -0.11 1.23 0.02 0.00 0.00 177.57 178.80 1iyg h GLY 87 N 0.23 0.22 0.69 2.17 0.00 0.18 -2.60 103.07 103.95 1iyg h GLY 87 Ca 0.27 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1iyg h GLY 87 CO -0.36 0.22 0.14 3.43 0.00 0.00 0.00 176.54 179.98 1iyg h ASN 88 N -0.27 0.16 -0.48 0.19 2.35 0.01 -2.04 115.58 115.50 1iyg h ASN 88 Ca 0.01 0.04 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1iyg h ASN 88 Cb 0.67 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.98 1iyg h ASN 88 CO 0.03 0.13 0.08 0.22 -1.65 0.00 0.00 177.43 176.24 1iyg h TYR 89 N 0.30 0.13 -0.65 1.19 3.20 0.20 0.21 116.97 121.55 1iyg h TYR 89 Ca 0.17 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.24 1iyg h TYR 89 Cb 0.14 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1iyg h TYR 89 CO -0.14 -0.02 0.46 -0.09 -1.64 0.00 0.00 178.16 176.73 1iyg h ARG 90 N 0.21 0.12 -0.34 1.82 1.12 -0.97 1.44 114.38 117.79 1iyg h ARG 90 Ca 0.24 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1iyg h ARG 90 Cb 0.33 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1iyg h ARG 90 CO -0.33 0.08 0.00 1.28 -3.11 0.00 0.00 179.97 177.89 1iyg n LEU 91 N -4.40 1.57 -0.40 3.80 4.77 0.48 -4.83 117.00 117.99 1iyg n LEU 91 Ca 0.12 -0.79 -0.05 0.00 -0.03 0.00 0.00 56.01 55.26 1iyg n LEU 91 Cb 0.64 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1iyg n LEU 91 CO 0.36 0.36 -0.05 0.29 -1.33 0.00 0.00 177.39 177.01 1iyg n LYS 92 N 0.26 -1.23 -1.83 3.23 5.02 0.49 -4.87 118.16 119.24 1iyg n LYS 92 Ca 0.09 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.55 1iyg n LYS 92 Cb 0.27 -4.64 -0.01 0.00 -0.02 0.00 0.00 35.03 30.63 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 -1.12 3.57 0.10 1.97 -0.58 0.23 -4.71 120.64 120.10 1iyg n GLU 93 Ca -0.05 -2.89 -0.12 0.00 -0.42 0.00 0.00 57.16 53.67 1iyg n GLU 93 Cb 0.39 -2.96 -0.06 0.00 -0.57 0.00 0.00 31.44 28.24 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 5.44 -0.35 -0.30 -0.32 0.05 -1.85 0.21 116.97 119.84 1iyg h TYR 94 Ca 0.62 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.44 1iyg h TYR 94 Cb 0.49 0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 1iyg h TYR 94 CO 1.54 -0.21 -0.18 0.39 -1.05 0.00 0.00 178.16 178.65 1iyg n GLU 95 N -5.26 -0.13 0.16 4.88 -0.58 -1.26 0.20 120.64 118.64 1iyg n GLU 95 Ca -0.07 1.09 -0.14 0.00 -0.42 0.00 0.00 57.16 57.62 1iyg n GLU 95 Cb 0.18 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1iyg h LYS 96 N 0.00 -0.36 -0.73 3.49 1.79 -1.95 0.99 116.57 119.81 1iyg h LYS 96 Ca 0.05 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 1iyg h LYS 96 Cb 0.12 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 1iyg h LYS 96 CO -0.28 -0.24 -0.56 0.00 -1.08 0.00 0.00 179.45 177.29 1iyg h ALA 97 N 0.38 -0.63 0.47 3.86 0.00 0.11 0.26 119.26 123.71 1iyg h ALA 97 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iyg h ALA 97 Cb 0.31 1.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1iyg h ALA 97 CO 0.02 -0.98 -0.49 -0.07 0.00 0.00 0.00 179.25 177.74 1iyg h LEU 98 N -0.16 -1.34 -1.90 0.00 -0.00 0.24 1.69 115.31 113.84 1iyg h LEU 98 Ca 0.12 0.11 0.56 0.00 -0.00 0.00 0.00 57.88 58.66 1iyg h LEU 98 Cb 0.47 0.44 -0.08 0.00 -0.00 0.00 0.00 40.66 41.50 1iyg h LEU 98 CO -0.77 -0.64 1.37 1.17 -0.00 0.00 0.00 178.44 179.57 1iyg n LYS 99 N -5.38 -0.00 -0.03 1.13 3.00 0.32 0.25 118.16 117.46 1iyg n LYS 99 Ca -0.11 1.06 -0.20 0.00 -0.00 0.00 0.00 58.31 59.05 1iyg n LYS 99 Cb 0.44 -2.43 -0.13 0.00 0.00 0.00 0.00 35.03 32.91 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1iyg n TYR 100 N -3.89 0.89 -0.12 5.64 4.01 0.78 -2.94 117.16 121.52 1iyg n TYR 100 Ca 0.43 0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 58.29 1iyg n TYR 100 Cb 1.95 -1.12 0.09 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.05 1.26 0.14 -0.72 2.07 1.42 -0.50 116.25 119.98 1iyg h VAL 101 Ca -0.46 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1iyg h VAL 101 Cb 2.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1iyg h VAL 101 CO 0.04 0.42 -0.07 0.03 0.02 0.00 0.00 177.57 178.01 1iyg h ARG 102 N 0.77 -0.18 0.00 1.57 2.47 0.32 0.15 114.38 119.47 1iyg h ARG 102 Ca 0.12 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1iyg h ARG 102 Cb 0.64 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1iyg h ARG 102 CO 0.04 0.25 0.00 0.41 0.56 0.00 0.00 179.97 181.23 1iyg n GLY 103 N 0.26 -0.92 0.09 0.04 0.00 -1.15 -0.70 105.19 102.80 1iyg n GLY 103 Ca -0.08 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.15 0.31 0.06 0.99 -0.00 -0.20 -4.22 117.00 111.79 1iyg n LEU 104 Ca -0.00 0.14 -0.15 0.00 -0.00 0.00 0.00 56.01 56.00 1iyg n LEU 104 Cb 0.08 0.32 -0.06 0.00 -0.00 0.00 0.00 43.42 43.75 1iyg n LEU 104 CO 0.11 0.37 0.16 -0.07 -0.00 0.00 0.00 177.39 177.96 1iyg h LEU 105 N 0.00 0.65 -0.76 -1.96 3.38 0.13 0.17 115.31 116.92 1iyg h LEU 105 Ca -0.38 -0.51 0.16 0.00 0.09 0.00 0.00 57.88 57.24 1iyg h LEU 105 Cb 1.98 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.42 1iyg h LEU 105 CO 0.04 1.31 0.25 0.06 0.09 0.00 0.00 178.44 180.19 1iyg h GLN 106 N 0.28 0.35 0.00 1.13 3.07 -1.09 1.30 115.11 120.16 1iyg h GLN 106 Ca -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1iyg h GLN 106 Cb 1.60 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 29.08 1iyg h GLN 106 CO 0.17 0.23 -1.23 -2.37 0.09 0.00 0.00 178.83 175.72 1iyg n THR 107 N -5.08 0.50 -3.21 1.86 5.66 -1.22 -4.44 114.28 108.36 1iyg n THR 107 Ca 0.15 -0.54 -0.24 0.00 -3.05 0.00 0.00 64.05 60.37 1iyg n THR 107 Cb 0.46 -0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 68.91 1iyg n THR 107 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iyg n GLU 108 N -2.59 1.64 0.10 1.09 -0.58 0.60 -4.89 120.64 116.01 1iyg n GLU 108 Ca -0.01 -3.89 -0.05 0.00 -0.42 0.00 0.00 57.16 52.79 1iyg n GLU 108 Cb 0.56 -1.75 0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 3.67 0.07 0.00 3.49 0.13 0.14 -2.94 132.00 136.55 1iyg h PRO 109 Ca 0.12 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1iyg h PRO 109 Cb 0.78 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1iyg h PRO 109 CO 0.62 0.80 0.00 -0.56 -0.23 0.00 0.00 178.00 178.64 1iyg h GLN 110 N 0.04 0.00 -6.10 0.86 3.07 -1.90 -3.44 115.11 107.65 1iyg h GLN 110 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.15 1iyg h GLN 110 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 1iyg h GLN 110 CO 0.11 0.00 1.41 1.21 0.09 0.00 0.00 178.83 181.65 1iyg s ASN 111 N -5.49 5.73 0.00 0.06 3.84 -1.11 -4.85 114.94 113.13 1iyg s ASN 111 Ca 0.04 2.03 -0.25 0.00 0.21 0.00 0.00 52.86 54.90 1iyg s ASN 111 Cb 0.08 -2.52 -0.18 0.00 -0.55 0.00 0.00 41.25 38.09 1iyg s ASN 111 CO 0.56 -1.72 1.29 0.78 -2.79 0.00 0.00 177.10 175.22 1iyg h ASN 112 N 13.79 -0.16 -0.94 -4.21 2.35 -1.89 -0.41 115.58 124.11 1iyg h ASN 112 Ca -0.42 -0.28 0.24 0.00 -0.55 0.00 0.00 56.30 55.28 1iyg h ASN 112 Cb 1.23 0.04 -0.17 0.00 0.05 0.00 0.00 38.32 39.47 1iyg h ASN 112 CO 0.96 0.21 -0.02 1.56 -1.65 0.00 0.00 177.43 178.50 1iyg h GLN 113 N -0.57 0.03 -0.05 0.81 4.20 -1.88 0.45 115.11 118.10 1iyg h GLN 113 Ca -0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1iyg h GLN 113 Cb 0.44 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1iyg h GLN 113 CO 0.03 0.02 -0.05 0.00 -0.67 0.00 0.00 178.83 178.16 1iyg h ALA 114 N 1.92 0.07 -0.30 3.87 0.00 -1.88 -2.48 119.26 120.46 1iyg h ALA 114 Ca 0.54 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1iyg h ALA 114 Cb 1.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1iyg h ALA 114 CO -0.88 -0.13 -0.18 1.63 0.00 0.00 0.00 179.25 179.69 1iyg n LYS 115 N -4.75 -0.13 -0.04 0.00 5.02 0.14 -0.84 118.16 117.57 1iyg n LYS 115 Ca -0.08 1.15 -0.10 0.00 -2.02 0.00 0.00 58.31 57.26 1iyg n LYS 115 Cb 0.29 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1iyg n LYS 115 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iyg h GLU 116 N 0.00 -0.35 -0.56 1.97 4.39 -1.18 -2.25 114.58 116.60 1iyg h GLU 116 Ca 0.05 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1iyg h GLU 116 Cb 0.12 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1iyg h GLU 116 CO -0.28 -0.23 -0.33 -0.11 -1.16 0.00 0.00 179.01 176.90 1iyg n LEU 117 N -5.41 -0.59 -0.32 1.33 0.00 -0.02 0.24 117.00 112.22 1iyg n LEU 117 Ca -0.02 1.24 0.24 0.00 0.00 0.00 0.00 56.01 57.47 1iyg n LEU 117 Cb 0.33 -0.25 0.46 0.00 0.00 0.00 0.00 43.42 43.96 1iyg n LEU 117 CO 0.12 -0.93 0.93 1.21 0.00 0.00 0.00 177.39 178.72 1iyg n GLU 118 N -4.32 -0.07 -0.02 1.96 2.13 -0.02 -0.29 120.64 120.02 1iyg n GLU 118 Ca 0.01 1.40 -0.09 0.00 0.66 0.00 0.00 57.16 59.14 1iyg n GLU 118 Cb 0.14 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.39 1iyg n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg h ARG 119 N 0.00 -0.07 -0.84 5.31 3.08 0.31 -1.78 114.38 120.39 1iyg h ARG 119 Ca 0.73 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.98 1iyg h ARG 119 Cb 1.80 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 31.70 1iyg h ARG 119 CO -0.82 0.45 -0.13 1.28 -1.07 0.00 0.00 179.97 179.68 1iyg n LEU 120 N -4.77 -0.23 -0.04 3.04 7.99 0.36 0.17 117.00 123.52 1iyg n LEU 120 Ca -0.07 1.44 -0.14 0.00 -0.01 0.00 0.00 56.01 57.23 1iyg n LEU 120 Cb 0.27 -0.47 -0.09 0.00 -0.11 0.00 0.00 43.42 43.03 1iyg n LEU 120 CO 0.22 -1.41 0.51 0.40 -1.51 0.00 0.00 177.39 175.60 1iyg h ILE 121 N 0.00 1.41 -0.87 -0.08 2.04 -1.02 0.68 117.51 119.67 1iyg h ILE 121 Ca 0.44 -1.55 0.25 0.00 1.00 0.00 0.00 64.86 65.00 1iyg h ILE 121 Cb 0.76 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1iyg h ILE 121 CO -0.84 0.44 0.70 -0.78 0.00 0.00 0.00 178.15 177.67 1iyg h ASP 122 N -0.18 0.00 0.10 1.72 3.58 0.26 1.24 116.42 123.13 1iyg h ASP 122 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1iyg h ASP 122 Cb 0.82 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1iyg h ASP 122 CO 0.05 0.00 -1.63 0.11 -2.88 0.00 0.00 179.24 174.89 1iyg h LYS 123 N 0.00 0.20 0.00 0.28 1.57 0.66 -3.34 116.57 115.94 1iyg h LYS 123 Ca 0.41 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1iyg h LYS 123 Cb 1.81 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 1iyg h LYS 123 CO -0.00 1.17 -0.02 0.00 -0.57 0.00 0.00 179.45 180.02 1iyg h ALA 124 N -0.09 1.95 -0.05 3.86 0.00 0.19 -2.42 119.26 122.71 1iyg h ALA 124 Ca -0.36 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1iyg h ALA 124 Cb 1.78 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1iyg h ALA 124 CO 0.01 0.03 -0.21 0.52 0.00 0.00 0.00 179.25 179.61 1iyg h MET 125 N 0.00 -0.30 -2.23 0.00 2.86 0.12 -2.84 114.93 112.55 1iyg h MET 125 Ca -0.00 0.02 -0.75 0.00 -2.06 0.00 0.00 59.70 56.91 1iyg h MET 125 Cb 0.04 0.07 -0.31 0.00 0.06 0.00 0.00 31.60 31.46 1iyg h MET 125 CO 0.00 -0.20 0.57 0.36 1.06 0.00 0.00 176.91 178.70 1iyg n LYS 126 N -5.34 4.70 -3.20 1.72 -0.00 -0.92 -4.74 118.16 110.38 1iyg n LYS 126 Ca -0.04 -4.66 -0.23 0.00 -0.00 0.00 0.00 58.31 53.39 1iyg n LYS 126 Cb 0.25 -2.39 -0.06 0.00 -0.00 0.00 0.00 35.03 32.83 1iyg n LYS 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1iyg n LYS 127 N -0.14 0.98 -4.33 -1.58 5.02 -1.07 -4.99 118.16 112.04 1iyg n LYS 127 Ca 0.43 -3.41 -0.24 0.00 -2.02 0.00 0.00 58.31 53.07 1iyg n LYS 127 Cb 0.30 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iyg s SER 128 N -1.70 4.22 0.00 4.39 0.01 -1.26 -4.98 113.70 114.37 1iyg s SER 128 Ca 0.37 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1iyg s SER 128 Cb 0.22 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1iyg s SER 128 CO -0.10 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1iyg n GLY 129 N -0.90 0.74 3.77 3.44 0.00 -1.26 -5.01 105.19 105.96 1iyg n GLY 129 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1iyg n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iyg s PRO 130 N 1.23 4.48 0.02 1.61 0.04 -1.26 -4.74 135.00 136.38 1iyg s PRO 130 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1iyg s PRO 130 Cb 0.00 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1iyg s PRO 130 CO 0.00 0.10 0.00 0.43 0.04 0.00 0.00 177.00 177.57 1iyg n SER 131 N 0.74 -0.22 -1.49 6.66 7.64 -1.26 -5.15 113.62 120.55 1iyg n SER 131 Ca 0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1iyg n SER 131 Cb 0.47 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1iyg n SER 131 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iyg n SER 132 N -2.54 -7.96 0.00 6.43 7.64 -1.26 -5.31 113.62 110.62 1iyg n SER 132 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1iyg n SER 132 Cb 0.00 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64