#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 2.46 -0.05 1.61 0.15 -1.26 -5.13 113.70 111.48 1iyg s SER 2 Ca 0.00 -0.92 0.04 0.00 0.70 0.00 0.00 55.95 55.77 1iyg s SER 2 Cb 0.00 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1iyg s SER 2 CO 0.00 -0.40 -0.17 -0.55 1.20 0.00 0.00 173.24 173.32 1iyg s SER 3 N 2.24 2.13 0.22 5.45 0.15 -1.26 -5.08 113.70 117.55 1iyg s SER 3 Ca 0.09 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.31 1iyg s SER 3 Cb -0.15 -0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1iyg s SER 3 CO -0.32 0.13 0.33 -0.83 1.20 0.00 0.00 173.24 173.75 1iyg s GLY 4 N 0.16 0.87 0.38 9.45 0.00 -1.26 -5.15 107.32 111.77 1iyg s GLY 4 Ca -0.06 -1.19 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 1iyg s GLY 4 CO 0.03 -0.94 1.13 -1.35 0.00 0.00 0.00 173.10 171.97 1iyg s SER 5 N -3.07 6.69 0.43 1.64 1.04 -1.26 -4.80 113.70 114.37 1iyg s SER 5 Ca 0.28 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1iyg s SER 5 Cb 0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1iyg s SER 5 CO 0.09 -0.56 0.00 -1.20 0.98 0.00 0.00 173.24 172.56 1iyg n SER 6 N 0.21 -5.41 0.00 7.02 7.64 -1.26 -5.06 113.62 116.76 1iyg n SER 6 Ca 0.04 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1iyg n SER 6 Cb 0.47 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 7 N -3.58 1.55 1.25 0.23 0.00 -1.26 -5.00 105.19 98.38 1iyg n GLY 7 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1iyg n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1iyg n MET 8 N 0.00 0.00 0.17 1.61 1.56 -1.26 -4.28 117.12 114.92 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 -0.39 0.60 0.00 2.15 0.00 0.00 33.22 35.57 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 0.05 2.12 4.81 -1.99 0.45 114.58 120.02 1iyg h GLU 9 Ca 0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 1iyg h GLU 9 Cb 0.08 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1iyg h GLU 9 CO 0.00 0.00 -2.24 0.00 -0.73 0.00 0.00 179.01 176.04 1iyg n ALA 10 N -1.77 1.18 -0.34 2.92 0.00 -1.26 -2.87 120.51 118.37 1iyg n ALA 10 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.53 1iyg n ALA 10 Cb 0.07 -0.32 0.14 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.10 1.24 -0.03 0.00 2.07 -1.33 0.70 116.25 118.80 1iyg h VAL 11 Ca -0.52 -0.45 -0.26 0.00 0.82 0.00 0.00 66.70 66.29 1iyg h VAL 11 Cb 1.90 -0.15 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1iyg h VAL 11 CO -0.06 0.24 -0.99 -0.07 0.02 0.00 0.00 177.57 176.71 1iyg h LEU 12 N 1.28 0.92 0.63 2.57 3.38 -1.16 -3.33 115.31 119.60 1iyg h LEU 12 Ca 0.35 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1iyg h LEU 12 Cb -0.14 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.33 1iyg h LEU 12 CO -0.07 1.51 -0.30 0.78 0.09 0.00 0.00 178.44 180.44 1iyg h ASN 13 N 0.42 -0.72 -1.12 -0.43 2.35 -1.24 -3.42 115.58 111.43 1iyg h ASN 13 Ca -0.11 0.02 -0.84 0.00 -0.55 0.00 0.00 56.30 54.82 1iyg h ASN 13 Cb 1.64 0.19 0.02 0.00 0.05 0.00 0.00 38.32 40.21 1iyg h ASN 13 CO 0.20 -0.48 0.65 1.21 -1.65 0.00 0.00 177.43 177.36 1iyg n GLU 14 N -4.49 0.24 -4.02 0.81 2.13 0.24 -4.92 120.64 110.63 1iyg n GLU 14 Ca -0.11 0.09 -0.25 0.00 0.66 0.00 0.00 57.16 57.56 1iyg n GLU 14 Cb 0.33 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.38 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1iyg s LEU 15 N 2.69 4.09 0.43 4.31 1.43 -1.26 -4.91 118.68 125.46 1iyg s LEU 15 Ca 1.02 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 1iyg s LEU 15 Cb -1.38 -2.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 1iyg s LEU 15 CO 0.75 0.02 0.99 0.54 0.23 0.00 0.00 176.35 178.88 1iyg s VAL 16 N -1.85 4.10 -0.22 -1.59 0.11 -1.23 -4.96 120.40 114.76 1iyg s VAL 16 Ca 0.33 1.39 -0.10 0.00 -2.93 0.00 0.00 61.98 60.67 1iyg s VAL 16 Cb -0.10 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.09 1iyg s VAL 16 CO 0.26 -0.20 0.13 -0.44 -3.33 0.00 0.00 175.10 171.53 1iyg s SER 17 N -1.97 6.03 0.23 3.54 0.01 -1.26 -4.75 113.70 115.54 1iyg s SER 17 Ca 0.62 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.86 1iyg s SER 17 Cb -0.14 -2.07 0.29 0.00 0.21 0.00 0.00 66.02 64.30 1iyg s SER 17 CO 0.18 0.11 1.58 1.62 0.41 0.00 0.00 173.24 177.14 1iyg h VAL 18 N 4.93 0.12 -0.92 3.43 3.04 -1.97 0.71 116.25 125.59 1iyg h VAL 18 Ca -0.39 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 65.58 1iyg h VAL 18 Cb 1.16 0.12 -0.17 0.00 -2.01 0.00 0.00 31.29 30.40 1iyg h VAL 18 CO 0.69 0.00 0.10 1.21 -1.01 0.00 0.00 177.57 178.55 1iyg n GLU 19 N -5.51 -0.07 0.03 4.17 0.00 -1.26 0.13 120.64 118.13 1iyg n GLU 19 Ca 0.10 1.36 -0.19 0.00 0.00 0.00 0.00 57.16 58.44 1iyg n GLU 19 Cb 0.41 -2.21 -0.12 0.00 0.00 0.00 0.00 31.44 29.52 1iyg n GLU 19 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1iyg h ASP 20 N 0.00 0.58 -0.96 4.31 3.32 -0.11 -1.86 116.42 121.70 1iyg h ASP 20 Ca 0.60 -0.82 0.22 0.00 0.02 0.00 0.00 57.03 57.05 1iyg h ASP 20 Cb 1.30 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.59 1iyg h ASP 20 CO -0.84 1.33 0.63 0.25 -1.72 0.00 0.00 179.24 178.88 1iyg h LEU 21 N -0.10 0.47 0.10 1.55 7.12 0.36 1.09 115.31 125.89 1iyg h LEU 21 Ca -0.11 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 1iyg h LEU 21 Cb 1.49 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 1iyg h LEU 21 CO 0.15 0.16 -0.05 0.11 -0.13 0.00 0.00 178.44 178.68 1iyg h LYS 22 N 0.45 -0.13 -0.95 1.25 1.79 0.55 0.55 116.57 120.08 1iyg h LYS 22 Ca 0.52 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 59.22 1iyg h LYS 22 Cb 1.24 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.84 1iyg h LYS 22 CO -0.23 0.28 0.63 -0.91 -1.08 0.00 0.00 179.45 178.13 1iyg h ASN 23 N -0.96 0.40 0.49 0.86 2.35 -0.39 1.55 115.58 119.86 1iyg h ASN 23 Ca -0.01 0.05 -0.30 0.00 -0.55 0.00 0.00 56.30 55.49 1iyg h ASN 23 Cb 0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1iyg h ASN 23 CO 0.02 0.14 -1.50 -0.26 -1.65 0.00 0.00 177.43 174.18 1iyg h PHE 24 N 0.38 0.41 -0.17 1.19 -1.00 0.11 -3.08 116.94 114.80 1iyg h PHE 24 Ca 0.50 -0.30 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 1iyg h PHE 24 Cb 1.30 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.84 1iyg h PHE 24 CO -0.00 1.34 -0.16 1.49 -1.61 0.00 0.00 178.31 179.37 1iyg h GLU 25 N 0.06 0.40 -0.99 1.51 4.81 0.31 -2.14 114.58 118.55 1iyg h GLU 25 Ca -0.23 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1iyg h GLU 25 Cb 2.00 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.34 1iyg h GLU 25 CO 0.16 0.77 0.66 -0.09 -0.73 0.00 0.00 179.01 179.77 1iyg h ARG 26 N 0.05 1.30 0.20 1.92 2.43 0.19 -1.50 114.38 118.97 1iyg h ARG 26 Ca 0.03 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1iyg h ARG 26 Cb 0.69 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1iyg h ARG 26 CO 0.04 0.86 -0.10 -0.22 -1.51 0.00 0.00 179.97 179.04 1iyg h LYS 27 N 1.34 -0.26 0.13 0.20 3.64 -1.46 0.46 116.57 120.61 1iyg h LYS 27 Ca 0.36 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1iyg h LYS 27 Cb -0.15 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1iyg h LYS 27 CO -0.08 -0.15 -0.40 0.35 -2.27 0.00 0.00 179.45 176.90 1iyg h PHE 28 N -0.30 -1.17 -0.38 1.91 3.57 -0.95 0.54 116.94 120.16 1iyg h PHE 28 Ca -0.03 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1iyg h PHE 28 Cb 0.23 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 1iyg h PHE 28 CO -0.05 -0.47 -0.25 1.96 -2.23 0.00 0.00 178.31 177.27 1iyg h GLN 29 N -0.60 -0.19 0.15 1.11 4.20 -1.26 0.12 115.11 118.64 1iyg h GLN 29 Ca -0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iyg h GLN 29 Cb 0.59 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1iyg h GLN 29 CO -0.20 -0.12 -0.26 1.03 -0.67 0.00 0.00 178.83 178.61 1iyg h SER 30 N -0.19 -0.74 -1.44 1.46 0.87 -0.47 0.01 113.55 113.04 1iyg h SER 30 Ca 0.18 0.07 0.42 0.00 -1.23 0.00 0.00 61.79 61.23 1iyg h SER 30 Cb 0.48 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 1iyg h SER 30 CO -0.49 -0.30 1.03 -0.33 -0.53 0.00 0.00 176.83 176.21 1iyg h GLU 31 N -0.43 0.01 0.66 2.24 4.39 0.48 0.61 114.58 122.54 1iyg h GLU 31 Ca -0.02 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1iyg h GLU 31 Cb 0.40 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1iyg h GLU 31 CO -0.09 0.01 -0.32 0.37 -1.16 0.00 0.00 179.01 177.82 1iyg h GLN 32 N 0.01 -0.86 0.00 2.33 4.15 0.11 -1.54 115.11 119.32 1iyg h GLN 32 Ca 0.69 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.17 1iyg h GLN 32 Cb 2.74 0.20 0.00 0.00 0.21 0.00 0.00 27.48 30.63 1iyg h GLN 32 CO -0.03 -0.57 0.00 0.00 -1.93 0.00 0.00 178.83 176.30 1iyg n ALA 33 N -2.61 1.55 0.14 3.38 0.00 0.23 -1.37 120.51 121.83 1iyg n ALA 33 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1iyg n ALA 33 Cb 0.35 -1.21 0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 2.40 0.80 0.00 0.00 0.00 0.43 -3.47 119.26 119.41 1iyg h ALA 34 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1iyg h ALA 34 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iyg h ALA 34 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1iyg n GLY 35 N 0.66 2.77 3.65 0.00 0.00 -0.47 -5.05 105.19 106.76 1iyg n GLY 35 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 0.10 1.61 1.04 -0.61 -4.97 113.70 110.85 1iyg s SER 36 Ca 0.00 0.04 -0.31 0.00 0.48 0.00 0.00 55.95 56.17 1iyg s SER 36 Cb 0.00 0.88 -0.07 0.00 0.10 0.00 0.00 66.02 66.93 1iyg s SER 36 CO 0.00 -0.01 1.30 -0.69 0.98 0.00 0.00 173.24 174.82 1iyg s VAL 37 N 0.88 3.60 0.37 5.02 1.01 -1.22 -4.59 120.40 125.48 1iyg s VAL 37 Ca -0.06 1.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 1iyg s VAL 37 Cb -0.02 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1iyg s VAL 37 CO -0.10 0.10 0.94 -0.44 0.00 0.00 0.00 175.10 175.60 1iyg s SER 38 N 0.98 7.15 0.20 3.32 0.01 -1.26 -4.86 113.70 119.25 1iyg s SER 38 Ca 0.61 1.76 -0.17 0.00 1.31 0.00 0.00 55.95 59.46 1iyg s SER 38 Cb -0.34 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.53 1iyg s SER 38 CO 0.31 -0.20 1.59 0.11 0.41 0.00 0.00 173.24 175.46 1iyg h LYS 39 N 2.60 -0.09 -0.22 12.44 1.57 -1.96 0.14 116.57 131.06 1iyg h LYS 39 Ca -0.48 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1iyg h LYS 39 Cb 1.19 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1iyg h LYS 39 CO 0.63 -0.06 -0.13 0.45 -0.57 0.00 0.00 179.45 179.77 1iyg n SER 40 N -5.46 -0.23 -0.13 0.86 2.88 -1.26 0.17 113.62 110.45 1iyg n SER 40 Ca 0.07 1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 58.66 1iyg n SER 40 Cb 0.37 -0.41 0.04 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.76 0.03 2.46 2.02 -1.68 0.60 112.91 117.10 1iyg h THR 41 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1iyg h THR 41 Cb 0.09 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1iyg h THR 41 CO -0.21 0.04 -0.07 -0.61 0.37 0.00 0.00 175.52 175.04 1iyg h GLN 42 N 0.20 -0.11 -0.91 6.66 4.15 0.21 0.38 115.11 125.68 1iyg h GLN 42 Ca 0.21 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.80 1iyg h GLN 42 Cb 0.26 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 1iyg h GLN 42 CO -0.28 -0.07 0.59 0.35 -1.93 0.00 0.00 178.83 177.48 1iyg h PHE 43 N -0.11 0.80 0.00 3.99 3.57 0.19 -0.21 116.94 125.16 1iyg h PHE 43 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1iyg h PHE 43 Cb 0.10 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1iyg h PHE 43 CO -0.24 0.26 0.00 0.39 -2.23 0.00 0.00 178.31 176.49 1iyg n GLU 44 N -4.58 0.00 -0.38 1.11 1.02 0.21 -0.58 120.64 117.44 1iyg n GLU 44 Ca 0.19 0.03 0.35 0.00 -0.02 0.00 0.00 57.16 57.70 1iyg n GLU 44 Cb 0.53 -1.00 0.62 0.00 -0.02 0.00 0.00 31.44 31.58 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 0.71 0.96 -0.32 3.20 -0.22 0.46 116.97 121.77 1iyg h TYR 45 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1iyg h TYR 45 Cb 0.00 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.12 1iyg h TYR 45 CO 0.01 -0.40 -0.46 0.00 -1.64 0.00 0.00 178.16 175.67 1iyg h ALA 46 N 1.85 -1.34 -0.60 1.82 0.00 -0.98 0.78 119.26 120.80 1iyg h ALA 46 Ca 0.86 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.66 1iyg h ALA 46 Cb 2.45 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 20.72 1iyg h ALA 46 CO -0.65 -1.24 0.52 2.35 0.00 0.00 0.00 179.25 180.22 1iyg h TRP 47 N -1.30 0.00 -0.27 0.00 2.91 0.23 1.44 115.95 118.96 1iyg h TRP 47 Ca -0.13 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.74 1iyg h TRP 47 Cb 0.99 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1iyg h TRP 47 CO 0.01 0.00 -0.43 0.00 -1.03 0.00 0.00 178.44 176.99 1iyg h LEU 49 N 0.55 -0.45 -0.91 0.00 3.38 0.43 -0.88 115.31 117.42 1iyg h LEU 49 Ca 0.04 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1iyg h LEU 49 Cb 0.97 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1iyg h LEU 49 CO 0.09 -0.27 -0.19 -0.37 0.09 0.00 0.00 178.44 177.79 1iyg h VAL 50 N -0.65 0.10 -1.00 1.22 -1.51 -1.35 1.57 116.25 114.62 1iyg h VAL 50 Ca -0.05 -0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.50 1iyg h VAL 50 Cb 0.41 0.09 -0.07 0.00 -2.13 0.00 0.00 31.29 29.58 1iyg h VAL 50 CO 0.09 0.00 0.64 0.03 -1.23 0.00 0.00 177.57 177.10 1iyg h ARG 51 N 0.01 1.06 -5.86 5.19 3.08 -1.32 -3.44 114.38 113.10 1iyg h ARG 51 Ca 0.45 -0.06 -0.54 0.00 0.07 0.00 0.00 59.98 59.89 1iyg h ARG 51 Cb 0.72 -0.24 0.23 0.00 0.08 0.00 0.00 29.97 30.76 1iyg h ARG 51 CO -0.92 0.70 -1.74 0.45 -1.07 0.00 0.00 179.97 177.39 1iyg n SER 52 N -4.56 -5.63 -0.15 7.04 2.88 0.53 -3.51 113.62 110.23 1iyg n SER 52 Ca 0.17 0.23 0.13 0.00 -1.33 0.00 0.00 58.87 58.07 1iyg n SER 52 Cb 0.25 -0.75 0.47 0.00 -0.75 0.00 0.00 64.21 63.43 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 2.32 0.63 -3.60 -1.46 2.85 -1.26 -4.79 118.16 112.85 1iyg n LYS 53 Ca -0.01 -0.30 -0.36 0.00 -1.05 0.00 0.00 58.31 56.59 1iyg n LYS 53 Cb 0.54 -1.49 -0.06 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 -2.58 3.63 -0.09 5.58 1.51 -1.26 -5.01 117.35 119.12 1iyg s TYR 54 Ca 0.24 0.80 -0.24 0.00 -1.01 0.00 0.00 57.07 56.86 1iyg s TYR 54 Cb 0.19 -2.16 -0.21 0.00 -0.11 0.00 0.00 41.96 39.68 1iyg s TYR 54 CO 0.52 0.59 0.84 -0.91 -1.11 0.00 0.00 175.55 175.48 1iyg h ASN 55 N 4.16 -0.03 -1.48 2.29 4.21 -1.95 -3.11 115.58 119.68 1iyg h ASN 55 Ca -0.50 -0.69 0.47 0.00 1.21 0.00 0.00 56.30 56.79 1iyg h ASN 55 Cb 1.20 0.01 -0.11 0.00 -1.12 0.00 0.00 38.32 38.30 1iyg h ASN 55 CO 0.64 0.73 0.99 -0.33 -1.29 0.00 0.00 177.43 178.17 1iyg h GLU 56 N -0.86 0.05 -0.05 0.81 4.39 -1.99 1.37 114.58 118.30 1iyg h GLU 56 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1iyg h GLU 56 Cb 0.72 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1iyg h GLU 56 CO 0.01 0.03 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.36 1iyg h ASP 57 N 0.05 0.18 -0.37 1.42 5.19 -1.88 -3.24 116.42 117.77 1iyg h ASP 57 Ca 0.84 -0.55 0.04 0.00 -0.62 0.00 0.00 57.03 56.74 1iyg h ASP 57 Cb 2.88 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 42.28 1iyg h ASP 57 CO -0.31 0.69 -0.34 0.40 -3.12 0.00 0.00 179.24 176.56 1iyg h ILE 58 N -0.33 0.00 -0.83 0.35 2.04 0.19 0.85 117.51 119.77 1iyg h ILE 58 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1iyg h ILE 58 Cb 0.65 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.58 1iyg h ILE 58 CO 0.02 0.00 -0.21 -1.14 0.00 0.00 0.00 178.15 176.82 1iyg n ARG 59 N -4.31 -0.08 0.27 2.37 0.63 -0.91 -0.22 116.66 114.40 1iyg n ARG 59 Ca -0.01 1.30 -0.13 0.00 -0.92 0.00 0.00 57.85 58.09 1iyg n ARG 59 Cb 0.19 -1.94 -0.07 0.00 0.45 0.00 0.00 32.46 31.09 1iyg n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iyg h ARG 60 N 0.00 -0.70 -1.39 -0.14 -0.00 -0.67 -1.91 114.38 109.56 1iyg h ARG 60 Ca 0.40 0.05 0.40 0.00 -0.50 0.00 0.00 59.98 60.33 1iyg h ARG 60 Cb 0.61 0.16 -0.06 0.00 0.00 0.00 0.00 29.97 30.68 1iyg h ARG 60 CO -0.86 -0.41 1.21 0.78 0.00 0.00 0.00 179.97 180.69 1iyg h GLY 61 N -1.09 0.00 0.00 0.04 0.00 0.38 0.28 103.07 102.68 1iyg h GLY 61 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1iyg h GLY 61 CO 0.12 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.42 1iyg h ILE 62 N 0.00 0.00 -0.89 2.60 2.04 -0.45 -2.96 117.51 117.85 1iyg h ILE 62 Ca 0.66 -1.00 0.10 0.00 1.00 0.00 0.00 64.86 65.62 1iyg h ILE 62 Cb 3.06 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 39.03 1iyg h ILE 62 CO -0.01 0.00 -0.45 0.52 0.00 0.00 0.00 178.15 178.21 1iyg n VAL 63 N -4.77 -0.55 0.05 1.67 0.31 0.89 0.32 118.33 116.23 1iyg n VAL 63 Ca -0.00 2.12 -0.12 0.00 -0.01 0.00 0.00 64.34 66.33 1iyg n VAL 63 Cb 0.01 -2.69 -0.06 0.00 -0.91 0.00 0.00 33.84 30.20 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1iyg h LEU 64 N 0.00 -1.10 -0.60 7.52 3.38 -1.43 1.22 115.31 124.31 1iyg h LEU 64 Ca 0.21 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.38 1iyg h LEU 64 Cb 0.43 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1iyg h LEU 64 CO -0.85 -0.41 0.30 -0.07 0.09 0.00 0.00 178.44 177.50 1iyg h LEU 65 N -0.50 0.43 0.00 1.67 4.07 0.36 0.44 115.31 121.78 1iyg h LEU 65 Ca 0.06 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1iyg h LEU 65 Cb 0.60 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1iyg h LEU 65 CO -0.31 0.28 0.00 -0.62 -1.08 0.00 0.00 178.44 176.71 1iyg n GLU 66 N -4.86 0.06 0.06 1.13 1.02 0.94 -1.28 120.64 117.71 1iyg n GLU 66 Ca 0.07 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1iyg n GLU 66 Cb 0.17 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1iyg n GLU 66 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1iyg h GLU 67 N 0.00 0.00 0.00 3.49 5.08 0.61 -3.32 114.58 120.45 1iyg h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iyg h GLU 67 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iyg h GLU 67 CO 0.00 0.00 -0.78 1.28 -1.00 0.00 0.00 179.01 178.51 1iyg n LEU 68 N -2.12 0.37 0.06 1.33 4.77 -0.63 -4.24 117.00 116.54 1iyg n LEU 68 Ca 0.03 -0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 55.49 1iyg n LEU 68 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1iyg n LEU 68 CO 0.37 0.09 0.51 -0.07 -1.33 0.00 0.00 177.39 176.96 1iyg h LEU 69 N 0.00 -1.58 -0.66 2.23 -0.00 -1.28 0.70 115.31 114.72 1iyg h LEU 69 Ca 0.00 0.18 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 1iyg h LEU 69 Cb 0.32 0.60 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 1iyg h LEU 69 CO 0.00 -0.50 -0.26 1.55 -0.00 0.00 0.00 178.44 179.23 1iyg h PRO 70 N -0.65 0.00 -2.45 1.13 0.13 -1.82 -3.35 132.00 124.99 1iyg h PRO 70 Ca 0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.54 1iyg h PRO 70 Cb 0.69 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.41 1iyg h PRO 70 CO -0.34 0.26 -0.71 0.36 -0.23 0.00 0.00 178.00 177.34 1iyg n LYS 71 N -3.29 1.76 0.00 0.86 2.85 -0.57 -4.91 118.16 114.87 1iyg n LYS 71 Ca 0.01 -4.21 0.00 0.00 -1.05 0.00 0.00 58.31 53.06 1iyg n LYS 71 Cb 0.52 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1iyg n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iyg n GLY 72 N 1.50 -0.04 0.00 2.58 0.00 0.23 -4.32 105.19 105.14 1iyg n GLY 72 Ca 0.26 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1iyg n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyg n SER 73 N -0.09 0.00 0.00 1.61 2.88 -1.26 -4.97 113.62 111.79 1iyg n SER 73 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iyg n SER 73 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iyg n SER 73 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iyg n LYS 74 N -0.40 0.00 -0.66 -1.46 4.01 -1.26 0.24 118.16 118.63 1iyg n LYS 74 Ca 0.00 0.00 0.50 0.00 -0.51 0.00 0.00 58.31 58.30 1iyg n LYS 74 Cb 0.00 -0.26 0.77 0.00 -0.51 0.00 0.00 35.03 35.03 1iyg n LYS 74 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1iyg n GLU 75 N 0.00 0.00 0.10 1.97 0.28 -1.26 0.18 120.64 121.92 1iyg n GLU 75 Ca 0.00 1.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.89 1iyg n GLU 75 Cb 0.00 -2.36 -0.07 0.00 1.43 0.00 0.00 31.44 30.44 1iyg n GLU 75 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1iyg h GLU 76 N 0.00 -0.17 -0.37 3.44 5.08 -1.86 -1.66 114.58 119.04 1iyg h GLU 76 Ca 0.88 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.25 1iyg h GLU 76 Cb 3.56 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 32.83 1iyg h GLU 76 CO -0.01 -0.12 0.23 1.96 -1.00 0.00 0.00 179.01 180.08 1iyg h GLN 77 N -0.18 0.49 -0.76 2.33 4.20 0.64 0.24 115.11 122.07 1iyg h GLN 77 Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1iyg h GLN 77 Cb 0.14 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1iyg h GLN 77 CO 0.03 0.34 0.35 0.00 -0.67 0.00 0.00 178.83 178.88 1iyg h ARG 78 N 0.51 1.09 0.00 1.46 -0.00 -1.01 -1.37 114.38 115.05 1iyg h ARG 78 Ca 0.14 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.98 59.26 1iyg h ARG 78 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 29.97 29.71 1iyg h ARG 78 CO -0.03 0.85 -0.93 -0.44 0.00 0.00 0.00 179.97 179.42 1iyg h ASP 79 N 1.08 0.00 0.00 7.04 3.32 -0.34 -3.27 116.42 124.25 1iyg h ASP 79 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1iyg h ASP 79 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1iyg h ASP 79 CO -0.03 0.91 0.00 -1.22 -1.72 0.00 0.00 179.24 177.17 1iyg n TYR 80 N -3.32 0.00 -0.27 4.55 4.01 0.73 -3.23 117.16 119.63 1iyg n TYR 80 Ca -0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1iyg n TYR 80 Cb 0.90 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.91 -0.39 -0.25 -0.72 0.31 -0.58 0.27 118.33 116.05 1iyg n VAL 81 Ca 0.00 1.64 0.24 0.00 -0.01 0.00 0.00 64.34 66.21 1iyg n VAL 81 Cb 0.00 -2.13 0.44 0.00 -0.91 0.00 0.00 33.84 31.24 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 -4.98 0.87 -0.07 3.52 7.35 -1.23 -0.08 117.46 122.83 1iyg n PHE 82 Ca 0.06 0.93 -0.10 0.00 -0.76 0.00 0.00 57.45 57.57 1iyg n PHE 82 Cb 0.25 -1.32 -0.07 0.00 0.35 0.00 0.00 39.48 38.69 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 -0.96 -5.13 -1.99 0.37 -2.88 116.97 106.38 1iyg h TYR 83 Ca 0.64 0.00 0.40 0.00 2.00 0.00 0.00 58.73 61.77 1iyg h TYR 83 Cb 1.68 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 40.24 1iyg h TYR 83 CO -0.05 0.68 0.53 1.28 -0.00 0.00 0.00 178.16 180.60 1iyg n LEU 84 N -4.62 0.33 -0.03 3.88 4.32 0.88 0.19 117.00 121.93 1iyg n LEU 84 Ca -0.11 1.56 -0.14 0.00 -0.02 0.00 0.00 56.01 57.30 1iyg n LEU 84 Cb 0.36 -0.76 -0.11 0.00 -1.62 0.00 0.00 43.42 41.29 1iyg n LEU 84 CO 0.18 -1.75 0.49 0.00 -1.22 0.00 0.00 177.39 175.10 1iyg h ALA 85 N 1.88 0.03 -0.27 -1.18 0.00 -0.87 0.12 119.26 118.96 1iyg h ALA 85 Ca 0.81 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1iyg h ALA 85 Cb 2.16 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.89 1iyg h ALA 85 CO -0.72 -0.05 -0.09 0.28 0.00 0.00 0.00 179.25 178.67 1iyg h VAL 86 N -0.57 0.68 0.08 0.00 2.07 0.22 0.88 116.25 119.61 1iyg h VAL 86 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1iyg h VAL 86 Cb 0.80 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1iyg h VAL 86 CO 0.02 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.80 1iyg h GLY 87 N -0.04 -0.12 0.36 2.17 0.00 0.10 -2.21 103.07 103.34 1iyg h GLY 87 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1iyg h GLY 87 CO -0.30 -0.04 -0.27 3.43 0.00 0.00 0.00 176.54 179.36 1iyg h ASN 88 N -0.36 -0.81 -0.68 0.19 2.35 -0.34 0.27 115.58 116.20 1iyg h ASN 88 Ca -0.01 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 56.00 1iyg h ASN 88 Cb 0.31 0.33 -0.12 0.00 0.05 0.00 0.00 38.32 38.89 1iyg h ASN 88 CO 0.02 -0.33 -0.03 0.22 -1.65 0.00 0.00 177.43 175.66 1iyg h TYR 89 N -0.40 -0.10 -0.04 1.19 3.20 0.80 1.65 116.97 123.26 1iyg h TYR 89 Ca 0.07 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1iyg h TYR 89 Cb 0.50 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1iyg h TYR 89 CO -0.32 -0.22 -0.29 -0.09 -1.64 0.00 0.00 178.16 175.61 1iyg h ARG 90 N 0.09 0.08 -0.11 1.82 1.12 -0.67 -0.42 114.38 116.29 1iyg h ARG 90 Ca 0.36 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1iyg h ARG 90 Cb 0.59 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1iyg h ARG 90 CO -0.61 0.36 0.00 -0.11 -3.11 0.00 0.00 179.97 176.50 1iyg n LEU 91 N -4.17 0.76 -0.63 3.80 7.94 0.20 -4.84 117.00 120.06 1iyg n LEU 91 Ca -0.02 -0.34 -0.07 0.00 -1.11 0.00 0.00 56.01 54.47 1iyg n LEU 91 Cb 0.35 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.21 1iyg n LEU 91 CO 0.38 0.17 -0.07 0.29 -1.11 0.00 0.00 177.39 177.05 1iyg n LYS 92 N -0.20 -0.50 -1.88 1.96 5.02 0.33 -4.92 118.16 117.96 1iyg n LYS 92 Ca 0.11 0.56 -0.40 0.00 -2.02 0.00 0.00 58.31 56.56 1iyg n LYS 92 Cb 0.16 -4.38 0.04 0.00 -0.02 0.00 0.00 35.03 30.82 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 -2.30 2.74 -0.16 1.97 -0.58 0.51 -4.73 120.64 118.09 1iyg n GLU 93 Ca -0.07 -3.49 -0.02 0.00 -0.42 0.00 0.00 57.16 53.16 1iyg n GLU 93 Cb 0.37 -2.27 0.06 0.00 -0.57 0.00 0.00 31.44 29.03 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 2.95 -0.03 -0.07 -0.32 0.05 -1.82 0.82 116.97 118.55 1iyg h TYR 94 Ca 0.57 0.04 0.01 0.00 0.05 0.00 0.00 58.73 59.40 1iyg h TYR 94 Cb 0.07 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1iyg h TYR 94 CO 1.20 -0.11 -0.12 0.93 -1.05 0.00 0.00 178.16 179.00 1iyg h GLU 95 N 0.12 -0.09 -0.81 4.88 5.08 -1.96 0.77 114.58 122.57 1iyg h GLU 95 Ca 0.25 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1iyg h GLU 95 Cb 0.38 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1iyg h GLU 95 CO -0.42 -0.06 0.51 0.87 -1.00 0.00 0.00 179.01 178.91 1iyg h LYS 96 N -0.10 0.94 -0.11 2.33 1.57 -1.89 -1.44 116.57 117.88 1iyg h LYS 96 Ca 0.01 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1iyg h LYS 96 Cb 0.13 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1iyg h LYS 96 CO -0.12 0.62 -0.40 0.00 -0.57 0.00 0.00 179.45 178.98 1iyg h ALA 97 N 1.35 -0.77 0.07 3.86 0.00 0.18 0.82 119.26 124.78 1iyg h ALA 97 Ca 0.33 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1iyg h ALA 97 Cb 0.06 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1iyg h ALA 97 CO -0.13 -0.92 -0.43 -0.07 0.00 0.00 0.00 179.25 177.70 1iyg h LEU 98 N -0.42 -1.32 -1.95 0.00 3.38 0.84 1.77 115.31 117.61 1iyg h LEU 98 Ca 0.02 0.14 0.57 0.00 0.09 0.00 0.00 57.88 58.70 1iyg h LEU 98 Cb 0.50 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1iyg h LEU 98 CO -0.33 -0.45 1.42 0.29 0.09 0.00 0.00 178.44 179.46 1iyg n LYS 99 N -4.91 0.00 -0.02 1.13 5.02 -0.57 0.26 118.16 119.07 1iyg n LYS 99 Ca -0.07 1.08 -0.21 0.00 -2.02 0.00 0.00 58.31 57.09 1iyg n LYS 99 Cb 0.33 -2.50 -0.14 0.00 -0.02 0.00 0.00 35.03 32.71 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1iyg n TYR 100 N -3.89 1.07 -0.11 2.13 4.01 0.12 -3.05 117.16 117.43 1iyg n TYR 100 Ca 0.44 0.23 -0.12 0.00 -0.16 0.00 0.00 57.90 58.29 1iyg n TYR 100 Cb 2.00 -1.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.86 1iyg n TYR 100 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1iyg h VAL 101 N 0.06 1.29 0.18 -0.72 3.04 1.46 0.06 116.25 121.62 1iyg h VAL 101 Ca -0.45 -1.26 -0.01 0.00 -1.01 0.00 0.00 66.70 63.98 1iyg h VAL 101 Cb 2.02 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 1iyg h VAL 101 CO 0.06 0.41 -0.09 0.03 -1.01 0.00 0.00 177.57 176.98 1iyg h ARG 102 N 0.47 -0.23 0.00 4.17 2.47 0.33 0.67 114.38 122.26 1iyg h ARG 102 Ca 0.08 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1iyg h ARG 102 Cb 0.68 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1iyg h ARG 102 CO 0.05 -0.02 -0.04 0.78 0.56 0.00 0.00 179.97 181.30 1iyg h GLY 103 N -0.42 0.00 0.26 0.04 0.00 -1.53 0.35 103.07 101.77 1iyg h GLY 103 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1iyg h GLY 103 CO 0.04 0.00 -0.21 -2.00 0.00 0.00 0.00 176.54 174.37 1iyg h LEU 104 N 0.00 0.14 -2.06 3.11 7.12 -0.59 -3.23 115.31 119.81 1iyg h LEU 104 Ca -0.00 -0.92 -0.02 0.00 0.13 0.00 0.00 57.88 57.07 1iyg h LEU 104 Cb 0.08 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1iyg h LEU 104 CO 0.01 1.04 -0.09 -0.07 -0.13 0.00 0.00 178.44 179.20 1iyg h LEU 105 N -0.74 0.00 -0.26 2.25 3.38 0.81 0.00 115.31 120.75 1iyg h LEU 105 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1iyg h LEU 105 Cb 1.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1iyg h LEU 105 CO 0.04 0.09 -0.45 -0.61 0.09 0.00 0.00 178.44 177.60 1iyg h GLN 106 N 0.00 -0.41 -0.45 1.13 -0.00 -0.33 -0.96 115.11 114.09 1iyg h GLN 106 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1iyg h GLN 106 Cb 0.24 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.81 1iyg h GLN 106 CO 0.01 -0.27 0.00 -2.37 0.00 0.00 0.00 178.83 176.20 1iyg n THR 107 N -5.42 0.58 -3.20 2.39 5.66 -1.09 -4.46 114.28 108.74 1iyg n THR 107 Ca -0.03 -0.77 -0.23 0.00 -3.05 0.00 0.00 64.05 59.98 1iyg n THR 107 Cb 0.36 0.84 -0.06 0.00 -1.55 0.00 0.00 70.33 69.93 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 1.46 1.28 0.05 1.09 -0.58 -0.03 -4.91 120.64 118.99 1iyg n GLU 108 Ca 0.20 -3.62 -0.14 0.00 -0.42 0.00 0.00 57.16 53.18 1iyg n GLU 108 Cb 0.59 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 3.59 0.49 0.00 3.49 0.13 -1.56 -2.99 132.00 135.15 1iyg h PRO 109 Ca 0.10 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1iyg h PRO 109 Cb 0.84 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1iyg h PRO 109 CO 0.56 1.12 0.00 -0.56 -0.23 0.00 0.00 178.00 178.88 1iyg h GLN 110 N 0.30 0.00 -6.15 0.86 3.07 -1.91 -3.42 115.11 107.87 1iyg h GLN 110 Ca -0.07 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.10 1iyg h GLN 110 Cb 1.50 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.04 1iyg h GLN 110 CO 0.16 0.00 1.36 1.21 0.09 0.00 0.00 178.83 181.65 1iyg s ASN 111 N -4.87 5.69 -0.05 0.06 3.84 -1.13 -4.86 114.94 113.63 1iyg s ASN 111 Ca -0.00 1.45 -0.19 0.00 0.21 0.00 0.00 52.86 54.33 1iyg s ASN 111 Cb 0.09 -2.52 -0.13 0.00 -0.55 0.00 0.00 41.25 38.14 1iyg s ASN 111 CO 0.41 -1.85 0.79 0.78 -2.79 0.00 0.00 177.10 174.44 1iyg h ASN 112 N 13.84 -0.25 -0.93 -4.21 4.21 -1.89 -2.56 115.58 123.79 1iyg h ASN 112 Ca -0.35 -0.24 0.17 0.00 1.21 0.00 0.00 56.30 57.09 1iyg h ASN 112 Cb 1.19 0.07 -0.17 0.00 -1.12 0.00 0.00 38.32 38.29 1iyg h ASN 112 CO 1.02 0.26 -0.27 0.00 -1.29 0.00 0.00 177.43 177.15 1iyg n GLN 113 N -4.98 -0.12 0.21 0.81 3.00 -1.26 0.71 117.38 115.75 1iyg n GLN 113 Ca -0.07 1.45 -0.15 0.00 -0.01 0.00 0.00 57.00 58.21 1iyg n GLN 113 Cb 0.24 -2.16 -0.08 0.00 0.00 0.00 0.00 30.24 28.25 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iyg h ALA 114 N 1.71 -0.47 -0.81 -1.58 0.00 -1.93 -2.20 119.26 113.98 1iyg h ALA 114 Ca 0.41 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1iyg h ALA 114 Cb 0.65 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1iyg h ALA 114 CO -0.95 -0.76 -0.46 0.87 0.00 0.00 0.00 179.25 177.95 1iyg h LYS 115 N -0.47 -0.10 -0.12 0.00 1.57 0.73 0.68 116.57 118.85 1iyg h LYS 115 Ca -0.05 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iyg h LYS 115 Cb 0.36 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1iyg h LYS 115 CO 0.08 -0.07 -0.53 0.93 -0.57 0.00 0.00 179.45 179.29 1iyg h GLU 116 N -0.10 -0.56 -0.59 3.15 5.08 -0.69 -2.18 114.58 118.68 1iyg h GLU 116 Ca 0.23 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 1iyg h GLU 116 Cb 0.54 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1iyg h GLU 116 CO -0.84 -0.38 -0.43 -0.07 -1.00 0.00 0.00 179.01 176.29 1iyg h LEU 117 N -0.58 -1.54 -0.72 1.33 3.38 -0.31 0.67 115.31 117.53 1iyg h LEU 117 Ca 0.04 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1iyg h LEU 117 Cb 0.68 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 42.00 1iyg h LEU 117 CO -0.43 -0.22 -0.35 1.21 0.09 0.00 0.00 178.44 178.74 1iyg n GLU 118 N -4.68 -0.24 -0.08 1.13 0.00 -0.16 0.14 120.64 116.74 1iyg n GLU 118 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 57.16 58.15 1iyg n GLU 118 Cb 0.21 -1.62 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 1iyg n GLU 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iyg h ARG 119 N 0.00 0.39 0.04 5.31 2.47 -0.43 0.23 114.38 122.40 1iyg h ARG 119 Ca 0.18 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1iyg h ARG 119 Cb 0.36 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 1iyg h ARG 119 CO -0.69 0.48 -0.53 -0.07 0.56 0.00 0.00 179.97 179.71 1iyg h LEU 120 N 0.24 -1.63 -1.23 3.04 3.38 0.69 0.39 115.31 120.19 1iyg h LEU 120 Ca 0.08 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1iyg h LEU 120 Cb 0.25 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1iyg h LEU 120 CO -0.00 -0.54 0.53 0.40 0.09 0.00 0.00 178.44 178.92 1iyg h ILE 121 N -0.70 1.17 -0.29 1.22 2.04 0.66 0.43 117.51 122.03 1iyg h ILE 121 Ca 0.01 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1iyg h ILE 121 Cb 0.74 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 1iyg h ILE 121 CO -0.34 0.19 -0.39 -0.78 0.00 0.00 0.00 178.15 176.83 1iyg h ASP 122 N 1.04 -1.27 0.73 1.72 3.58 0.13 0.78 116.42 123.14 1iyg h ASP 122 Ca 0.31 0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.82 1iyg h ASP 122 Cb -0.04 0.55 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1iyg h ASP 122 CO -0.08 -0.37 -0.60 0.50 -2.88 0.00 0.00 179.24 175.80 1iyg h LYS 123 N -0.37 0.00 0.00 0.28 3.64 -0.48 -3.45 116.57 116.20 1iyg h LYS 123 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1iyg h LYS 123 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1iyg h LYS 123 CO -0.49 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1iyg n ALA 124 N -2.38 0.00 0.00 5.00 0.00 0.14 -3.80 120.51 119.47 1iyg n ALA 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iyg n ALA 124 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1iyg n ALA 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1iyg n MET 125 N -0.79 0.00 -0.04 0.00 2.81 -1.26 -4.12 117.12 113.72 1iyg n MET 125 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1iyg n MET 125 Cb 0.00 -0.06 -0.14 0.00 -0.71 0.00 0.00 33.22 32.31 1iyg n MET 125 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1iyg n LYS 126 N 0.00 0.68 -1.80 0.03 4.81 -1.25 -4.25 118.16 116.38 1iyg n LYS 126 Ca 0.00 0.22 -0.34 0.00 -0.87 0.00 0.00 58.31 57.31 1iyg n LYS 126 Cb 0.00 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.35 1iyg n LYS 126 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1iyg n LYS 127 N -3.13 3.01 0.00 1.64 2.85 -1.25 -4.05 118.16 117.24 1iyg n LYS 127 Ca -0.27 -3.10 0.00 0.00 -1.05 0.00 0.00 58.31 53.89 1iyg n LYS 127 Cb 1.06 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1iyg n SER 128 N 0.34 0.00 0.00 -5.58 3.41 -1.26 -4.94 113.62 105.59 1iyg n SER 128 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1iyg n SER 128 Cb 0.38 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyg n GLY 129 N 0.71 3.71 0.13 5.00 0.00 -1.26 -5.05 105.19 108.44 1iyg n GLY 129 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.22 -6.02 1.61 0.13 -1.88 -3.46 132.00 122.16 1iyg h PRO 130 Ca 0.00 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.60 1iyg h PRO 130 Cb 0.00 0.05 0.24 0.00 0.13 0.00 0.00 31.00 31.42 1iyg h PRO 130 CO 0.00 0.12 -1.84 0.43 -0.23 0.00 0.00 178.00 176.48 1iyg n SER 131 N -4.91 -5.91 -3.15 1.44 7.64 -1.26 -5.00 113.62 102.47 1iyg n SER 131 Ca -0.06 0.18 0.05 0.00 1.01 0.00 0.00 58.87 60.05 1iyg n SER 131 Cb 0.22 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 1iyg n SER 131 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1iyg s SER 132 N -1.03 -0.90 0.00 6.43 0.15 -1.26 -5.16 113.70 111.93 1iyg s SER 132 Ca 0.40 0.52 0.30 0.00 0.70 0.00 0.00 55.95 57.87 1iyg s SER 132 Cb -0.18 1.74 1.43 0.00 -1.71 0.00 0.00 66.02 67.30 1iyg s SER 132 CO 0.82 -0.17 1.96 0.61 1.20 0.00 0.00 173.24 177.67