#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 2.32 -0.11 1.61 0.15 -1.26 -5.01 113.70 111.41 1iyg s SER 2 Ca 0.00 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 55.99 1iyg s SER 2 Cb 0.00 -0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 63.89 1iyg s SER 2 CO 0.00 -0.31 -0.23 -1.54 1.20 0.00 0.00 173.24 172.36 1iyg n SER 3 N 5.19 1.54 0.00 5.45 3.41 -1.26 -5.13 113.62 122.82 1iyg n SER 3 Ca -0.07 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1iyg n SER 3 Cb 0.49 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1iyg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyg n GLY 4 N 2.09 4.19 2.89 5.00 0.00 -1.26 -5.11 105.19 112.98 1iyg n GLY 4 Ca -0.17 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 3.72 0.00 1.61 0.15 -1.26 -5.07 113.70 112.85 1iyg s SER 5 Ca 0.00 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1iyg s SER 5 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1iyg s SER 5 CO 0.00 -0.27 0.00 -1.54 1.20 0.00 0.00 173.24 172.63 1iyg n SER 6 N 4.74 0.00 0.00 5.45 3.41 -1.26 -4.93 113.62 121.04 1iyg n SER 6 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1iyg n SER 6 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.00 -2.19 0.07 5.00 0.00 -1.26 -4.94 105.19 101.87 1iyg n GLY 7 Ca 0.00 0.71 -0.09 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 0.95 0.15 1.61 1.56 -1.26 -3.87 117.12 116.26 1iyg n MET 8 Ca 0.00 0.05 0.13 0.00 -0.27 0.00 0.00 57.70 57.61 1iyg n MET 8 Cb 0.00 -1.29 0.40 0.00 2.15 0.00 0.00 33.22 34.47 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 0.00 2.12 4.81 -1.95 -2.58 114.58 116.98 1iyg h GLU 9 Ca -0.32 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.69 1iyg h GLU 9 Cb 1.57 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 1iyg h GLU 9 CO -0.03 0.00 -1.21 0.00 -0.73 0.00 0.00 179.01 177.04 1iyg h ALA 10 N 2.33 0.25 0.05 2.92 0.00 -1.92 -3.19 119.26 119.71 1iyg h ALA 10 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 54.91 53.76 1iyg h ALA 10 Cb 0.70 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1iyg h ALA 10 CO 0.00 0.68 -0.28 -0.24 0.00 0.00 0.00 179.25 179.41 1iyg h VAL 11 N -1.00 0.38 0.00 0.00 3.04 -1.67 1.32 116.25 118.33 1iyg h VAL 11 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1iyg h VAL 11 Cb 1.29 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1iyg h VAL 11 CO -0.20 0.00 0.00 -0.11 -1.01 0.00 0.00 177.57 176.25 1iyg n LEU 12 N -5.39 0.45 0.00 3.16 7.94 -0.97 -3.53 117.00 118.66 1iyg n LEU 12 Ca -0.06 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1iyg n LEU 12 Cb 0.30 -0.71 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1iyg n LEU 12 CO 0.22 -0.76 0.00 0.59 -1.11 0.00 0.00 177.39 176.33 1iyg n ASN 13 N -2.08 0.00 -4.16 1.96 5.03 0.16 -4.98 115.26 111.19 1iyg n ASN 13 Ca -0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1iyg n ASN 13 Cb 0.07 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 38.90 1iyg n ASN 13 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1iyg n GLU 14 N -1.10 -0.15 -4.31 3.52 -0.58 0.41 -5.01 120.64 113.42 1iyg n GLU 14 Ca 0.00 -0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.45 1iyg n GLU 14 Cb 0.00 -1.34 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 1iyg n GLU 14 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1iyg n LEU 15 N 1.54 0.00 -4.91 -4.62 4.77 -1.26 -4.81 117.00 107.71 1iyg n LEU 15 Ca 0.01 -2.91 -0.27 0.00 -0.03 0.00 0.00 56.01 52.82 1iyg n LEU 15 Cb 0.56 0.74 0.02 0.00 -2.33 0.00 0.00 43.42 42.41 1iyg n LEU 15 CO 0.52 -0.44 0.50 0.54 -1.33 0.00 0.00 177.39 177.18 1iyg s VAL 16 N -2.87 4.09 -0.04 4.08 0.11 0.28 -4.90 120.40 121.15 1iyg s VAL 16 Ca 0.12 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 1iyg s VAL 16 Cb 0.01 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1iyg s VAL 16 CO 0.09 -0.60 -0.25 -0.44 -3.33 0.00 0.00 175.10 170.57 1iyg s SER 17 N -4.24 2.96 0.15 3.54 0.01 -1.26 -4.80 113.70 110.06 1iyg s SER 17 Ca 0.52 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.08 1iyg s SER 17 Cb -0.10 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.49 1iyg s SER 17 CO 0.45 0.26 1.65 0.58 0.41 0.00 0.00 173.24 176.59 1iyg h VAL 18 N 4.90 0.50 -1.44 3.43 2.07 -1.98 0.84 116.25 124.56 1iyg h VAL 18 Ca -0.35 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.62 1iyg h VAL 18 Cb 1.16 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 31.32 1iyg h VAL 18 CO 0.47 0.00 0.97 -0.08 0.02 0.00 0.00 177.57 178.95 1iyg h GLU 19 N -0.18 0.07 0.00 1.57 4.22 -1.98 1.49 114.58 119.77 1iyg h GLU 19 Ca 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1iyg h GLU 19 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iyg h GLU 19 CO -0.34 0.04 -0.36 -0.25 -2.18 0.00 0.00 179.01 175.93 1iyg n ASP 20 N -4.49 1.26 -0.32 1.04 9.92 0.49 -3.10 116.55 121.35 1iyg n ASP 20 Ca 0.37 0.51 0.03 0.00 -0.53 0.00 0.00 54.79 55.18 1iyg n ASP 20 Cb 1.53 -0.76 0.11 0.00 -0.64 0.00 0.00 41.12 41.36 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 -0.69 -0.90 -0.73 0.64 6.46 0.14 1.42 115.31 121.65 1iyg h LEU 21 Ca 0.00 0.27 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1iyg h LEU 21 Cb 0.36 0.57 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 1iyg h LEU 21 CO 0.00 -0.30 0.47 0.07 -0.62 0.00 0.00 178.44 178.07 1iyg h LYS 22 N -0.01 0.92 -0.75 1.25 5.09 0.19 1.66 116.57 124.92 1iyg h LYS 22 Ca 0.41 -0.06 0.06 0.00 0.09 0.00 0.00 60.65 61.16 1iyg h LYS 22 Cb 0.65 -0.21 -0.05 0.00 0.10 0.00 0.00 32.23 32.72 1iyg h LYS 22 CO -0.92 0.61 0.49 -0.97 -2.09 0.00 0.00 179.45 176.57 1iyg h ASN 23 N 0.94 0.71 0.00 7.07 -1.24 0.18 -0.13 115.58 123.11 1iyg h ASN 23 Ca 0.28 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 1iyg h ASN 23 Cb -0.05 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 1iyg h ASN 23 CO -0.08 0.47 -0.21 -0.26 -1.29 0.00 0.00 177.43 176.05 1iyg h PHE 24 N 0.81 0.00 -0.80 0.67 -1.00 0.11 -3.30 116.94 113.44 1iyg h PHE 24 Ca 0.32 0.00 0.18 0.00 2.81 0.00 0.00 57.97 61.28 1iyg h PHE 24 Cb 0.22 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.63 1iyg h PHE 24 CO -0.00 0.76 -0.04 1.49 -1.61 0.00 0.00 178.31 178.92 1iyg h GLU 25 N -1.00 0.07 -0.94 1.51 4.81 0.26 0.79 114.58 120.08 1iyg h GLU 25 Ca -0.05 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.32 1iyg h GLU 25 Cb 0.77 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.04 1iyg h GLU 25 CO -0.03 0.04 0.55 -0.09 -0.73 0.00 0.00 179.01 178.75 1iyg h ARG 26 N 0.07 0.77 0.39 1.92 2.43 -1.16 0.13 114.38 118.93 1iyg h ARG 26 Ca 0.44 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1iyg h ARG 26 Cb 0.77 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1iyg h ARG 26 CO -0.74 0.51 -0.19 -0.22 -1.51 0.00 0.00 179.97 177.82 1iyg h LYS 27 N 0.79 -0.51 -0.72 0.20 3.64 0.47 0.17 116.57 120.62 1iyg h LYS 27 Ca 0.50 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 60.07 1iyg h LYS 27 Cb 0.64 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 1iyg h LYS 27 CO -0.33 -0.24 0.12 0.35 -2.27 0.00 0.00 179.45 177.08 1iyg h PHE 28 N -0.70 0.16 0.61 1.91 3.57 -0.17 0.28 116.94 122.61 1iyg h PHE 28 Ca -0.05 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1iyg h PHE 28 Cb 0.49 0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.28 1iyg h PHE 28 CO -0.01 -0.13 -0.29 1.96 -2.23 0.00 0.00 178.31 177.61 1iyg h GLN 29 N 0.21 -0.79 -0.15 1.11 4.20 -0.85 -2.33 115.11 116.50 1iyg h GLN 29 Ca 0.40 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.18 1iyg h GLN 29 Cb 0.69 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 1iyg h GLN 29 CO -0.55 -0.52 -0.16 1.03 -0.67 0.00 0.00 178.83 177.96 1iyg h SER 30 N -1.04 -0.54 -1.53 1.46 0.87 -0.16 0.63 113.55 113.24 1iyg h SER 30 Ca -0.08 0.07 0.46 0.00 -1.23 0.00 0.00 61.79 61.01 1iyg h SER 30 Cb 0.63 0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.72 1iyg h SER 30 CO 0.14 -0.10 1.06 -0.33 -0.53 0.00 0.00 176.83 177.07 1iyg h GLU 31 N -0.09 0.05 0.73 2.24 4.39 -0.56 0.84 114.58 122.19 1iyg h GLU 31 Ca 0.03 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1iyg h GLU 31 Cb 0.15 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1iyg h GLU 31 CO -0.19 0.03 -0.35 0.37 -1.16 0.00 0.00 179.01 177.72 1iyg h GLN 32 N 0.05 -0.94 0.00 2.33 4.15 0.79 0.47 115.11 121.96 1iyg h GLN 32 Ca 0.81 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.29 1iyg h GLN 32 Cb 2.92 0.21 0.00 0.00 0.21 0.00 0.00 27.48 30.83 1iyg h GLN 32 CO -0.18 -0.63 0.00 0.00 -1.93 0.00 0.00 178.83 176.09 1iyg n ALA 33 N -2.63 1.61 0.07 3.38 0.00 0.76 -1.88 120.51 121.81 1iyg n ALA 33 Ca -0.12 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1iyg n ALA 33 Cb 0.39 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 2.46 0.16 0.00 0.00 0.00 0.91 -3.48 119.26 119.32 1iyg h ALA 34 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1iyg h ALA 34 Cb 0.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iyg h ALA 34 CO 0.00 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1iyg n GLY 35 N 1.15 1.38 3.57 0.00 0.00 -0.66 -5.05 105.19 105.58 1iyg n GLY 35 Ca -0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iyg s SER 36 N 0.00 -0.27 -0.19 1.61 1.04 0.07 -4.96 113.70 111.00 1iyg s SER 36 Ca 0.00 0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 1iyg s SER 36 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1iyg s SER 36 CO 0.00 -0.33 0.07 -0.69 0.98 0.00 0.00 173.24 173.26 1iyg s VAL 37 N -1.85 4.77 0.44 5.02 1.01 -1.25 -4.06 120.40 124.48 1iyg s VAL 37 Ca 0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1iyg s VAL 37 Cb -0.01 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1iyg s VAL 37 CO -0.04 0.44 1.23 -0.44 0.00 0.00 0.00 175.10 176.29 1iyg s SER 38 N 0.51 6.21 0.17 3.32 0.01 -1.26 -4.87 113.70 117.79 1iyg s SER 38 Ca 0.03 2.46 -0.18 0.00 1.31 0.00 0.00 55.95 59.57 1iyg s SER 38 Cb -0.13 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.58 1iyg s SER 38 CO 0.01 -0.90 1.65 0.11 0.41 0.00 0.00 173.24 174.51 1iyg h LYS 39 N 2.33 -0.08 -0.49 12.44 1.79 -1.99 -0.70 116.57 129.88 1iyg h LYS 39 Ca -0.49 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.07 1iyg h LYS 39 Cb 1.25 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 1iyg h LYS 39 CO 0.61 -0.05 -0.38 0.77 -1.08 0.00 0.00 179.45 179.32 1iyg h SER 40 N -0.08 -1.30 -0.94 0.86 0.02 -1.98 0.53 113.55 110.66 1iyg h SER 40 Ca 0.19 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.51 1iyg h SER 40 Cb 0.38 0.60 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 1iyg h SER 40 CO -0.45 -0.33 0.60 0.74 -1.14 0.00 0.00 176.83 176.24 1iyg h THR 41 N -0.25 0.84 0.19 -2.27 2.02 -1.61 1.02 112.91 112.85 1iyg h THR 41 Ca 0.18 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1iyg h THR 41 Cb 0.56 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1iyg h THR 41 CO -0.62 0.14 -0.09 -0.61 0.37 0.00 0.00 175.52 174.71 1iyg h GLN 42 N 0.78 -0.25 -0.88 6.66 4.15 0.12 -0.71 115.11 124.98 1iyg h GLN 42 Ca 0.48 0.02 0.16 0.00 0.77 0.00 0.00 58.65 60.07 1iyg h GLN 42 Cb 0.69 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 1iyg h GLN 42 CO -0.24 -0.17 0.57 0.35 -1.93 0.00 0.00 178.83 177.41 1iyg h PHE 43 N -0.34 0.74 0.00 3.99 3.57 -0.11 0.42 116.94 125.21 1iyg h PHE 43 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iyg h PHE 43 Cb 0.20 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1iyg h PHE 43 CO 0.12 0.26 0.00 0.39 -2.23 0.00 0.00 178.31 176.84 1iyg n GLU 44 N -4.55 0.00 -0.08 1.11 1.02 0.35 -0.63 120.64 117.86 1iyg n GLU 44 Ca 0.18 0.36 0.24 0.00 -0.02 0.00 0.00 57.16 57.92 1iyg n GLU 44 Cb 0.52 -1.32 0.71 0.00 -0.02 0.00 0.00 31.44 31.34 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 0.00 -0.49 -0.32 3.20 -0.96 0.46 116.97 118.86 1iyg h TYR 45 Ca 0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1iyg h TYR 45 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1iyg h TYR 45 CO 0.15 0.00 -0.12 0.00 -1.64 0.00 0.00 178.16 176.56 1iyg h ALA 46 N 1.61 0.86 0.00 1.82 0.00 -0.05 -1.91 119.26 121.60 1iyg h ALA 46 Ca 0.33 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1iyg h ALA 46 Cb 1.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1iyg h ALA 46 CO -0.00 0.65 -0.43 2.35 0.00 0.00 0.00 179.25 181.81 1iyg h TRP 47 N 0.82 0.00 0.71 0.00 -0.00 0.23 -3.14 115.95 114.57 1iyg h TRP 47 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.99 1iyg h TRP 47 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.81 1iyg h TRP 47 CO 0.04 0.43 -0.35 0.00 -0.00 0.00 0.00 178.44 178.56 1iyg n LEU 49 N -4.64 -0.12 -0.28 0.00 7.99 -0.93 0.18 117.00 119.19 1iyg n LEU 49 Ca -0.12 0.91 0.08 0.00 -0.01 0.00 0.00 56.01 56.88 1iyg n LEU 49 Cb 0.38 -0.38 0.23 0.00 -0.11 0.00 0.00 43.42 43.54 1iyg n LEU 49 CO 0.29 -0.52 1.00 -0.37 -1.51 0.00 0.00 177.39 176.27 1iyg h VAL 50 N 0.00 0.53 0.00 4.08 -1.51 -1.54 1.54 116.25 119.35 1iyg h VAL 50 Ca 0.02 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1iyg h VAL 50 Cb 0.05 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.34 1iyg h VAL 50 CO -0.11 0.07 -0.02 0.03 -1.23 0.00 0.00 177.57 176.31 1iyg h ARG 51 N 0.37 0.00 0.00 5.19 2.47 0.54 -3.43 114.38 119.52 1iyg h ARG 51 Ca 0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1iyg h ARG 51 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1iyg h ARG 51 CO -0.49 0.02 0.00 0.45 0.56 0.00 0.00 179.97 180.50 1iyg n SER 52 N -3.24 -0.86 -0.00 7.04 2.88 0.53 0.10 113.62 120.07 1iyg n SER 52 Ca -0.02 -0.22 0.03 0.00 -1.33 0.00 0.00 58.87 57.34 1iyg n SER 52 Cb 0.14 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.08 2.81 -2.66 -1.46 2.85 -1.26 -4.52 118.16 112.84 1iyg n LYS 53 Ca 0.00 -0.03 -0.41 0.00 -1.05 0.00 0.00 58.31 56.82 1iyg n LYS 53 Cb 0.00 -0.96 -0.04 0.00 -0.65 0.00 0.00 35.03 33.37 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1iyg s TYR 54 N -1.99 3.75 -0.00 5.58 1.51 -1.26 -4.96 117.35 119.98 1iyg s TYR 54 Ca 0.00 1.74 -0.22 0.00 -1.01 0.00 0.00 57.07 57.58 1iyg s TYR 54 Cb 0.05 -3.12 -0.20 0.00 -0.11 0.00 0.00 41.96 38.58 1iyg s TYR 54 CO 0.27 -0.04 1.18 -0.91 -1.11 0.00 0.00 175.55 174.94 1iyg h ASN 55 N 5.45 0.35 0.00 2.29 2.35 -1.94 -2.47 115.58 121.61 1iyg h ASN 55 Ca -0.43 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 54.68 1iyg h ASN 55 Cb 1.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1iyg h ASN 55 CO 0.72 0.93 0.28 -0.33 -1.65 0.00 0.00 177.43 177.39 1iyg h GLU 56 N -0.21 0.00 0.12 0.81 5.08 -1.99 0.25 114.58 118.64 1iyg h GLU 56 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1iyg h GLU 56 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1iyg h GLU 56 CO 0.06 0.00 -1.67 -0.44 -1.00 0.00 0.00 179.01 175.96 1iyg h ASP 57 N 0.00 0.40 -1.12 1.42 5.19 -1.84 -3.32 116.42 117.15 1iyg h ASP 57 Ca 0.00 -0.87 0.32 0.00 -0.62 0.00 0.00 57.03 55.86 1iyg h ASP 57 Cb 0.57 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.89 1iyg h ASP 57 CO 0.00 1.73 0.79 0.40 -3.12 0.00 0.00 179.24 179.04 1iyg h ILE 58 N -0.16 0.44 0.00 0.35 2.04 -0.05 1.83 117.51 121.97 1iyg h ILE 58 Ca -0.36 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.34 1iyg h ILE 58 Cb 1.88 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1iyg h ILE 58 CO 0.07 0.01 -0.66 -0.09 0.00 0.00 0.00 178.15 177.47 1iyg h ARG 59 N 0.07 0.00 0.08 2.37 2.43 -1.59 -3.27 114.38 114.47 1iyg h ARG 59 Ca 0.55 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1iyg h ARG 59 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1iyg h ARG 59 CO -0.06 0.66 -0.04 0.00 -1.51 0.00 0.00 179.97 179.03 1iyg h ARG 60 N 0.00 -0.10 -1.70 0.20 3.08 0.27 -2.05 114.38 114.09 1iyg h ARG 60 Ca -0.01 0.01 0.49 0.00 0.07 0.00 0.00 59.98 60.54 1iyg h ARG 60 Cb 1.22 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.22 1iyg h ARG 60 CO 0.09 -0.07 1.26 0.41 -1.07 0.00 0.00 179.97 180.59 1iyg n GLY 61 N -0.61 -0.87 0.01 0.04 0.00 -1.02 -0.22 105.19 102.52 1iyg n GLY 61 Ca -0.01 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.10 -0.61 2.04 -1.55 1.03 117.51 117.33 1iyg h ILE 62 Ca 0.81 -0.03 0.38 0.00 1.00 0.00 0.00 64.86 67.02 1iyg h ILE 62 Cb 3.32 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 39.29 1iyg h ILE 62 CO -0.01 0.00 0.70 0.55 0.00 0.00 0.00 178.15 179.39 1iyg n VAL 63 N -2.14 -0.20 -0.05 1.67 3.14 0.69 0.31 118.33 121.75 1iyg n VAL 63 Ca -0.00 1.44 -0.01 0.00 -2.96 0.00 0.00 64.34 62.80 1iyg n VAL 63 Cb 0.01 -2.35 -0.01 0.00 -1.06 0.00 0.00 33.84 30.43 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 0.00 -0.68 6.55 3.38 -1.31 -3.06 115.31 120.19 1iyg h LEU 64 Ca 0.70 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.75 1iyg h LEU 64 Cb 2.26 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.91 1iyg h LEU 64 CO -0.37 0.56 0.20 -0.07 0.09 0.00 0.00 178.44 178.86 1iyg h LEU 65 N -1.00 0.12 -0.58 1.67 4.07 0.71 1.43 115.31 121.73 1iyg h LEU 65 Ca -0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1iyg h LEU 65 Cb 0.12 0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1iyg h LEU 65 CO -0.00 0.05 0.00 -0.62 -1.08 0.00 0.00 178.44 176.78 1iyg n GLU 66 N -5.08 0.09 -0.09 1.13 1.02 0.93 0.25 120.64 118.88 1iyg n GLU 66 Ca 0.12 0.47 -0.14 0.00 -0.02 0.00 0.00 57.16 57.59 1iyg n GLU 66 Cb 0.37 -1.72 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 1iyg n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iyg n GLU 67 N -1.90 0.68 0.18 3.49 -0.58 0.44 -4.14 120.64 118.79 1iyg n GLU 67 Ca 0.01 0.10 0.07 0.00 -0.42 0.00 0.00 57.16 56.92 1iyg n GLU 67 Cb 0.10 -1.57 0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1iyg n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1iyg h LEU 68 N 0.01 0.00 0.90 -4.62 3.38 0.94 -2.61 115.31 113.31 1iyg h LEU 68 Ca -0.52 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1iyg h LEU 68 Cb 2.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.84 1iyg h LEU 68 CO -0.00 0.26 -0.43 -0.07 0.09 0.00 0.00 178.44 178.29 1iyg h LEU 69 N 0.00 -1.02 0.00 1.67 3.38 -0.38 1.46 115.31 120.42 1iyg h LEU 69 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iyg h LEU 69 Cb 1.20 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1iyg h LEU 69 CO 0.03 -0.70 0.00 -0.81 0.09 0.00 0.00 178.44 177.05 1iyg n PRO 70 N -5.39 0.29 -0.77 1.13 -0.04 -1.25 -2.47 135.00 126.50 1iyg n PRO 70 Ca -0.15 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1iyg n PRO 70 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 1iyg n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iyg n LYS 71 N -1.31 1.23 0.00 0.54 5.02 -0.98 -5.04 118.16 117.62 1iyg n LYS 71 Ca 0.10 -2.98 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 1iyg n LYS 71 Cb 0.19 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1iyg n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iyg n GLY 72 N -0.78 6.41 3.99 0.72 0.00 0.50 -4.79 105.19 111.23 1iyg n GLY 72 Ca 0.16 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 1iyg n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iyg s SER 73 N 1.00 5.34 -0.06 1.61 0.15 -1.26 -5.00 113.70 115.48 1iyg s SER 73 Ca 0.00 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 55.91 1iyg s SER 73 Cb 0.00 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1iyg s SER 73 CO 0.00 -0.92 0.40 0.11 1.20 0.00 0.00 173.24 174.04 1iyg h LYS 74 N 0.59 -0.33 0.00 5.44 1.57 -1.99 -1.36 116.57 120.49 1iyg h LYS 74 Ca -0.37 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1iyg h LYS 74 Cb 1.28 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1iyg h LYS 74 CO 0.47 -0.22 0.00 -0.85 -0.57 0.00 0.00 179.45 178.28 1iyg n GLU 75 N -4.93 0.01 0.04 3.15 0.28 -1.26 -0.83 120.64 117.11 1iyg n GLU 75 Ca -0.04 0.38 0.09 0.00 -0.16 0.00 0.00 57.16 57.42 1iyg n GLU 75 Cb 0.14 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.40 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 -1.55 0.63 0.20 3.44 1.02 -1.21 -3.99 120.64 119.18 1iyg n GLU 76 Ca 0.02 0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1iyg n GLU 76 Cb 0.09 -1.70 0.40 0.00 -0.02 0.00 0.00 31.44 30.21 1iyg n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1iyg h GLN 77 N 0.00 0.00 0.00 3.49 4.20 0.20 -1.96 115.11 121.04 1iyg h GLN 77 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1iyg h GLN 77 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1iyg h GLN 77 CO 0.01 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 1iyg h ARG 78 N 0.00 0.00 0.00 1.46 -0.00 -1.68 -0.77 114.38 113.38 1iyg h ARG 78 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.33 1iyg h ARG 78 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.64 1iyg h ARG 78 CO 0.05 0.00 -1.40 -0.25 0.00 0.00 0.00 179.97 178.36 1iyg n ASP 79 N -2.81 0.81 0.00 7.04 9.92 -0.75 -3.94 116.55 126.82 1iyg n ASP 79 Ca -0.00 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1iyg n ASP 79 Cb 0.19 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1iyg n ASP 79 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1iyg n TYR 80 N -2.84 0.00 -0.26 1.24 4.01 -0.39 -3.89 117.16 115.03 1iyg n TYR 80 Ca -0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1iyg n TYR 80 Cb 0.80 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.86 -0.35 -0.30 -0.72 0.31 -0.64 0.24 118.33 115.01 1iyg n VAL 81 Ca 0.00 1.60 0.16 0.00 -0.01 0.00 0.00 64.34 66.08 1iyg n VAL 81 Cb 0.00 -2.12 0.31 0.00 -0.91 0.00 0.00 33.84 31.12 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 -5.02 0.65 0.00 3.52 7.35 -1.25 -0.28 117.46 122.43 1iyg n PHE 82 Ca 0.07 1.06 -0.10 0.00 -0.76 0.00 0.00 57.45 57.72 1iyg n PHE 82 Cb 0.28 -1.22 -0.08 0.00 0.35 0.00 0.00 39.48 38.81 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 -0.11 -0.98 -5.13 -1.99 0.31 -2.57 116.97 106.50 1iyg h TYR 83 Ca 0.58 -0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.68 1iyg h TYR 83 Cb 1.26 0.04 -0.18 0.00 2.00 0.00 0.00 36.73 39.85 1iyg h TYR 83 CO -0.37 0.42 0.42 1.28 -0.00 0.00 0.00 178.16 179.91 1iyg n LEU 84 N -4.82 0.24 -0.01 3.88 4.32 0.62 0.15 117.00 121.38 1iyg n LEU 84 Ca -0.07 1.63 -0.13 0.00 -0.02 0.00 0.00 56.01 57.42 1iyg n LEU 84 Cb 0.28 -0.75 -0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1iyg n LEU 84 CO 0.25 -1.79 0.60 0.00 -1.22 0.00 0.00 177.39 175.23 1iyg h ALA 85 N 1.96 -0.01 -0.35 -1.18 0.00 -0.90 0.18 119.26 118.95 1iyg h ALA 85 Ca 0.78 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.50 1iyg h ALA 85 Cb 1.99 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 1iyg h ALA 85 CO -0.79 -0.24 -0.25 0.28 0.00 0.00 0.00 179.25 178.25 1iyg h VAL 86 N -0.55 0.36 0.22 0.00 2.07 0.19 1.17 116.25 119.70 1iyg h VAL 86 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1iyg h VAL 86 Cb 0.54 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1iyg h VAL 86 CO 0.00 0.00 -0.11 1.23 0.02 0.00 0.00 177.57 178.72 1iyg h GLY 87 N -0.20 -0.31 0.16 2.17 0.00 -0.01 -2.04 103.07 102.85 1iyg h GLY 87 Ca 0.17 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.70 1iyg h GLY 87 CO -0.47 -0.11 -0.12 3.43 0.00 0.00 0.00 176.54 179.27 1iyg h ASN 88 N -0.48 -0.44 -0.63 0.19 2.35 -0.01 -0.49 115.58 116.07 1iyg h ASN 88 Ca -0.03 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 55.97 1iyg h ASN 88 Cb 0.36 0.27 -0.09 0.00 0.05 0.00 0.00 38.32 38.91 1iyg h ASN 88 CO 0.05 -0.16 0.16 0.22 -1.65 0.00 0.00 177.43 176.05 1iyg h TYR 89 N -0.04 0.25 -0.98 1.19 3.20 0.15 0.65 116.97 121.39 1iyg h TYR 89 Ca 0.19 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.26 1iyg h TYR 89 Cb 0.33 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.49 1iyg h TYR 89 CO -0.37 -0.02 0.61 -0.09 -1.64 0.00 0.00 178.16 176.65 1iyg h ARG 90 N 0.29 0.76 -0.13 1.82 1.12 -0.35 1.41 114.38 119.30 1iyg h ARG 90 Ca 0.34 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 1iyg h ARG 90 Cb 0.51 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1iyg h ARG 90 CO -0.41 0.50 0.00 1.28 -3.11 0.00 0.00 179.97 178.23 1iyg n LEU 91 N -4.66 0.82 -0.84 3.80 4.77 0.39 -4.84 117.00 116.44 1iyg n LEU 91 Ca 0.21 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1iyg n LEU 91 Cb 0.51 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1iyg n LEU 91 CO 0.25 0.19 -0.10 0.29 -1.33 0.00 0.00 177.39 176.69 1iyg n LYS 92 N -0.13 -0.73 -1.12 3.23 5.02 0.48 -4.88 118.16 120.03 1iyg n LYS 92 Ca 0.09 0.81 -0.16 0.00 -2.02 0.00 0.00 58.31 57.03 1iyg n LYS 92 Cb 0.16 -4.77 -0.13 0.00 -0.02 0.00 0.00 35.03 30.27 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 -2.60 2.08 -0.30 1.97 -0.58 0.20 -4.66 120.64 116.74 1iyg n GLU 93 Ca -0.11 -1.36 -0.07 0.00 -0.42 0.00 0.00 57.16 55.20 1iyg n GLU 93 Cb 0.37 -2.00 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 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 2.90 -1.39 0.00 -0.32 0.05 -1.85 0.50 116.97 116.86 1iyg h TYR 94 Ca 0.24 0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1iyg h TYR 94 Cb 1.26 0.72 0.00 0.00 1.01 0.00 0.00 36.73 39.72 1iyg h TYR 94 CO 1.63 -0.41 0.00 0.39 -1.05 0.00 0.00 178.16 178.72 1iyg n GLU 95 N -5.39 0.00 -0.17 4.88 -0.58 -1.26 0.17 120.64 118.29 1iyg n GLU 95 Ca 0.04 0.69 -0.01 0.00 -0.42 0.00 0.00 57.16 57.45 1iyg n GLU 95 Cb 0.34 -1.15 0.06 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.07 -0.12 3.49 1.57 -1.84 0.30 116.57 120.03 1iyg h LYS 96 Ca 0.00 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1iyg h LYS 96 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1iyg h LYS 96 CO 0.00 0.04 -0.16 0.00 -0.57 0.00 0.00 179.45 178.76 1iyg h ALA 97 N 1.51 -0.43 0.11 3.86 0.00 0.21 0.27 119.26 124.79 1iyg h ALA 97 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1iyg h ALA 97 Cb 0.42 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1iyg h ALA 97 CO -0.49 -0.51 -0.53 -0.07 0.00 0.00 0.00 179.25 177.64 1iyg h LEU 98 N -0.11 -1.61 -1.91 0.00 -0.00 0.24 1.53 115.31 113.45 1iyg h LEU 98 Ca 0.02 0.17 0.55 0.00 -0.00 0.00 0.00 57.88 58.62 1iyg h LEU 98 Cb 0.17 0.60 -0.08 0.00 -0.00 0.00 0.00 40.66 41.35 1iyg h LEU 98 CO -0.17 -0.56 1.41 1.17 -0.00 0.00 0.00 178.44 180.29 1iyg n LYS 99 N -5.48 0.00 -0.04 1.13 0.00 0.10 0.29 118.16 114.16 1iyg n LYS 99 Ca -0.08 1.08 -0.19 0.00 0.00 0.00 0.00 58.31 59.11 1iyg n LYS 99 Cb 0.41 -2.51 -0.13 0.00 0.00 0.00 0.00 35.03 32.80 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 -3.86 0.84 0.21 5.64 4.01 0.12 -3.37 117.16 120.75 1iyg n TYR 100 Ca 0.43 0.19 0.08 0.00 -0.16 0.00 0.00 57.90 58.43 1iyg n TYR 100 Cb 1.99 -1.11 0.44 0.00 -0.31 0.00 0.00 39.34 40.34 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 0.04 0.76 0.16 -0.72 2.07 1.31 -1.22 116.25 118.65 1iyg h VAL 101 Ca -0.46 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1iyg h VAL 101 Cb 2.00 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1iyg h VAL 101 CO 0.03 0.28 -0.08 0.03 0.02 0.00 0.00 177.57 177.86 1iyg h ARG 102 N 0.00 -0.21 0.00 1.57 2.47 0.41 -1.09 114.38 117.53 1iyg h ARG 102 Ca -0.00 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1iyg h ARG 102 Cb 0.74 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1iyg h ARG 102 CO 0.04 0.18 -0.05 0.78 0.56 0.00 0.00 179.97 181.48 1iyg h GLY 103 N -0.93 0.00 1.20 0.04 0.00 -1.56 0.27 103.07 102.10 1iyg h GLY 103 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1iyg h GLY 103 CO 0.04 0.00 -1.04 -2.00 0.00 0.00 0.00 176.54 173.54 1iyg h LEU 104 N 0.00 0.92 -0.88 3.11 7.12 -1.25 -3.15 115.31 121.18 1iyg h LEU 104 Ca -0.00 -0.74 -0.12 0.00 0.13 0.00 0.00 57.88 57.16 1iyg h LEU 104 Cb 0.09 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.93 1iyg h LEU 104 CO 0.01 1.53 -0.54 -0.07 -0.13 0.00 0.00 178.44 179.24 1iyg h LEU 105 N 0.40 0.06 -0.34 2.25 3.38 -0.14 0.60 115.31 121.53 1iyg h LEU 105 Ca -0.13 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1iyg h LEU 105 Cb 1.69 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 1iyg h LEU 105 CO 0.20 0.59 -0.12 -0.61 0.09 0.00 0.00 178.44 178.59 1iyg h GLN 106 N 0.04 -0.06 -0.01 1.13 -0.00 -0.47 0.70 115.11 116.45 1iyg h GLN 106 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1iyg h GLN 106 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.47 1iyg h GLN 106 CO 0.07 -0.04 -0.31 -2.37 0.00 0.00 0.00 178.83 176.19 1iyg n THR 107 N -5.31 0.00 -3.16 2.39 5.66 -1.18 -4.36 114.28 108.32 1iyg n THR 107 Ca 0.01 -0.16 -0.20 0.00 -3.05 0.00 0.00 64.05 60.64 1iyg n THR 107 Cb 0.22 0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.47 0.84 0.24 1.09 -0.58 0.20 -4.91 120.64 117.04 1iyg n GLU 108 Ca 0.12 -3.21 0.14 0.00 -0.42 0.00 0.00 57.16 53.78 1iyg n GLU 108 Cb 0.38 -1.44 0.41 0.00 -0.57 0.00 0.00 31.44 30.22 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 3.52 0.00 0.03 3.49 0.13 0.14 -3.01 132.00 136.29 1iyg h PRO 109 Ca 0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.96 1iyg h PRO 109 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1iyg h PRO 109 CO 0.47 0.04 -1.18 1.96 -0.23 0.00 0.00 178.00 179.06 1iyg h GLN 110 N 0.00 0.07 -5.87 0.86 4.20 -1.91 -3.44 115.11 109.01 1iyg h GLN 110 Ca -0.00 -0.12 -0.59 0.00 0.06 0.00 0.00 58.65 58.00 1iyg h GLN 110 Cb 0.78 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1iyg h GLN 110 CO 0.01 0.98 1.51 -1.71 -0.67 0.00 0.00 178.83 178.95 1iyg n ASN 111 N -3.35 2.54 -0.12 1.46 5.15 -1.14 -4.80 115.26 115.00 1iyg n ASN 111 Ca -0.05 0.14 -0.13 0.00 -0.60 0.00 0.00 54.58 53.95 1iyg n ASN 111 Cb 0.98 -1.43 -0.01 0.00 -0.53 0.00 0.00 39.78 38.79 1iyg n ASN 111 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1iyg h ASN 112 N 14.80 0.99 -1.15 1.20 2.35 -1.88 -2.87 115.58 129.02 1iyg h ASN 112 Ca -0.31 -0.44 0.41 0.00 -0.55 0.00 0.00 56.30 55.40 1iyg h ASN 112 Cb 1.28 -0.28 -0.15 0.00 0.05 0.00 0.00 38.32 39.22 1iyg h ASN 112 CO 1.04 1.24 0.69 1.56 -1.65 0.00 0.00 177.43 180.31 1iyg h GLN 113 N 0.77 0.11 0.04 0.81 4.20 -1.96 0.63 115.11 119.72 1iyg h GLN 113 Ca 0.07 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1iyg h GLN 113 Cb 0.94 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.71 1iyg h GLN 113 CO 0.09 0.07 -0.27 0.00 -0.67 0.00 0.00 178.83 178.06 1iyg h ALA 114 N 1.78 -0.02 -0.57 3.87 0.00 -1.87 -3.18 119.26 119.26 1iyg h ALA 114 Ca 0.81 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1iyg h ALA 114 Cb 2.27 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 1iyg h ALA 114 CO -0.57 0.11 -0.34 1.63 0.00 0.00 0.00 179.25 180.08 1iyg n LYS 115 N -4.47 -0.25 -0.09 0.00 5.02 0.21 -0.71 118.16 117.87 1iyg n LYS 115 Ca -0.11 1.28 -0.12 0.00 -2.02 0.00 0.00 58.31 57.34 1iyg n LYS 115 Cb 0.57 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.40 -0.83 1.97 4.39 -1.35 -1.59 114.58 116.77 1iyg h GLU 116 Ca 0.09 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.89 1iyg h GLU 116 Cb 0.24 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 1iyg h GLU 116 CO -0.54 -0.27 -0.49 1.28 -1.16 0.00 0.00 179.01 177.83 1iyg n LEU 117 N -5.41 -0.87 -0.37 1.33 4.77 0.11 0.13 117.00 116.69 1iyg n LEU 117 Ca -0.03 1.57 -0.07 0.00 -0.03 0.00 0.00 56.01 57.45 1iyg n LEU 117 Cb 0.36 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1iyg n LEU 117 CO 0.05 -1.25 0.46 1.21 -1.33 0.00 0.00 177.39 176.53 1iyg n GLU 118 N -4.92 -0.34 -0.23 3.23 0.00 -0.03 0.13 120.64 118.48 1iyg n GLU 118 Ca 0.02 1.36 -0.08 0.00 0.00 0.00 0.00 57.16 58.46 1iyg n GLU 118 Cb 0.21 -2.01 0.03 0.00 0.00 0.00 0.00 31.44 29.68 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 1.01 0.03 5.31 3.08 -0.11 0.44 114.38 124.14 1iyg h ARG 119 Ca 0.19 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1iyg h ARG 119 Cb 0.42 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1iyg h ARG 119 CO -0.86 0.89 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.60 1iyg h LEU 120 N 0.93 -0.78 -1.16 3.04 3.38 0.81 0.27 115.31 121.80 1iyg h LEU 120 Ca 0.21 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 1iyg h LEU 120 Cb 0.31 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1iyg h LEU 120 CO -0.00 -0.34 -0.39 0.40 0.09 0.00 0.00 178.44 178.20 1iyg h ILE 121 N -0.42 1.29 -0.35 1.22 2.04 0.12 -1.21 117.51 120.19 1iyg h ILE 121 Ca 0.05 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1iyg h ILE 121 Cb 0.49 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1iyg h ILE 121 CO -0.21 0.40 0.20 -0.78 0.00 0.00 0.00 178.15 177.75 1iyg h ASP 122 N 0.05 0.32 -0.23 1.72 1.82 0.14 0.11 116.42 120.36 1iyg h ASP 122 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.58 1iyg h ASP 122 Cb 0.71 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1iyg h ASP 122 CO 0.05 0.24 -0.13 0.11 -1.61 0.00 0.00 179.24 177.90 1iyg h LYS 123 N 0.41 0.49 -0.91 0.28 1.57 -0.24 -2.87 116.57 115.30 1iyg h LYS 123 Ca 0.14 -0.22 0.20 0.00 -1.87 0.00 0.00 60.65 58.89 1iyg h LYS 123 Cb 0.01 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.19 1iyg h LYS 123 CO -0.07 0.78 0.47 0.00 -0.57 0.00 0.00 179.45 180.05 1iyg h ALA 124 N 0.71 1.47 -0.69 3.86 0.00 -0.81 0.32 119.26 124.12 1iyg h ALA 124 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1iyg h ALA 124 Cb 0.64 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1iyg h ALA 124 CO 0.04 -0.21 0.40 0.52 0.00 0.00 0.00 179.25 179.99 1iyg h MET 125 N 0.54 0.94 -0.89 0.00 2.86 -0.78 -0.94 114.93 116.66 1iyg h MET 125 Ca 0.54 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.91 1iyg h MET 125 Cb 0.94 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.30 1iyg h MET 125 CO -0.45 0.69 0.22 1.63 1.06 0.00 0.00 176.91 180.06 1iyg n LYS 126 N -4.53 2.42 0.00 1.72 4.76 0.88 -4.23 118.16 119.19 1iyg n LYS 126 Ca 0.06 -1.82 -0.01 0.00 -2.87 0.00 0.00 58.31 53.67 1iyg n LYS 126 Cb 0.07 -1.81 -0.00 0.00 -1.84 0.00 0.00 35.03 31.45 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 -0.11 0.03 -2.71 1.97 5.02 0.17 -5.01 118.16 117.52 1iyg n LYS 127 Ca 0.27 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.53 1iyg n LYS 127 Cb 1.03 -0.27 -0.04 0.00 -0.02 0.00 0.00 35.03 35.74 1iyg n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iyg n SER 128 N -2.81 -2.27 0.00 4.39 2.88 -0.85 -5.07 113.62 109.90 1iyg n SER 128 Ca -0.01 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1iyg n SER 128 Cb 0.03 -4.55 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 129 N 1.80 4.65 3.68 0.46 0.00 -1.26 -5.12 105.19 109.39 1iyg n GLY 129 Ca -0.32 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 1.35 4.30 0.61 1.61 0.04 -1.26 -4.87 135.00 136.77 1iyg s PRO 130 Ca 0.00 1.69 0.27 0.00 0.04 0.00 0.00 61.00 63.00 1iyg s PRO 130 Cb 0.00 -3.65 1.31 0.00 0.04 0.00 0.00 34.50 32.20 1iyg s PRO 130 CO 0.00 -0.57 1.72 0.66 0.04 0.00 0.00 177.00 178.86 1iyg h SER 131 N 7.81 0.00 -1.09 6.66 4.64 -2.00 -3.22 113.55 126.35 1iyg h SER 131 Ca -0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 1iyg h SER 131 Cb 1.14 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 1iyg h SER 131 CO 0.92 0.00 -0.49 -0.94 -0.87 0.00 0.00 176.83 175.45 1iyg s SER 132 N -4.61 -1.28 0.00 4.97 1.04 -1.26 -5.02 113.70 107.54 1iyg s SER 132 Ca -0.04 -1.29 0.07 0.00 0.48 0.00 0.00 55.95 55.18 1iyg s SER 132 Cb 0.14 1.80 0.40 0.00 0.10 0.00 0.00 66.02 68.46 1iyg s SER 132 CO 0.48 -0.12 0.86 0.61 0.98 0.00 0.00 173.24 176.04