#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 -2.60 -3.55 1.61 7.64 -1.26 -5.13 113.62 110.33 1iyg n SER 2 Ca 0.00 -2.90 -0.09 0.00 1.01 0.00 0.00 58.87 56.89 1iyg n SER 2 Cb 0.00 1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 64.39 1iyg n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1iyg s SER 3 N 0.03 -0.33 0.00 6.43 0.15 -1.26 -5.18 113.70 113.54 1iyg s SER 3 Ca 0.31 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1iyg s SER 3 Cb 0.07 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1iyg s SER 3 CO -0.12 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1iyg n GLY 4 N 0.19 4.75 0.08 9.45 0.00 -1.26 -5.05 105.19 113.36 1iyg n GLY 4 Ca -0.08 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1iyg n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iyg h SER 5 N 0.00 0.00 -3.93 1.61 0.02 -2.05 -3.47 113.55 105.73 1iyg h SER 5 Ca 0.00 -0.18 -0.47 0.00 -0.84 0.00 0.00 61.79 60.30 1iyg h SER 5 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1iyg h SER 5 CO 0.00 1.01 0.36 -0.94 -1.14 0.00 0.00 176.83 176.11 1iyg s SER 6 N -6.12 7.15 0.00 3.07 1.04 -1.26 -4.53 113.70 113.05 1iyg s SER 6 Ca -0.19 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.09 1iyg s SER 6 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1iyg s SER 6 CO 0.34 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1iyg n GLY 7 N 0.30 -0.85 0.08 7.32 0.00 -1.26 -4.93 105.19 105.85 1iyg n GLY 7 Ca 0.03 0.31 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 0.23 0.16 1.61 1.56 -1.26 -4.25 117.12 115.17 1iyg n MET 8 Ca 0.00 0.05 0.11 0.00 -0.27 0.00 0.00 57.70 57.59 1iyg n MET 8 Cb 0.00 -1.16 0.58 0.00 2.15 0.00 0.00 33.22 34.78 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 -2.81 0.14 -0.09 2.12 2.13 -1.26 -1.45 120.64 119.42 1iyg n GLU 9 Ca -0.16 0.63 -0.22 0.00 0.66 0.00 0.00 57.16 58.07 1iyg n GLU 9 Cb 0.67 -1.98 -0.12 0.00 0.27 0.00 0.00 31.44 30.28 1iyg n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg h ALA 10 N 1.92 0.29 -0.35 4.31 0.00 -1.82 -2.89 119.26 120.74 1iyg h ALA 10 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 54.91 53.73 1iyg h ALA 10 Cb 0.06 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1iyg h ALA 10 CO 0.00 0.81 -0.11 0.28 0.00 0.00 0.00 179.25 180.23 1iyg h VAL 11 N -0.82 0.60 -0.40 0.00 2.07 -1.43 0.49 116.25 116.76 1iyg h VAL 11 Ca -0.37 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1iyg h VAL 11 Cb 1.43 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1iyg h VAL 11 CO -0.16 0.00 0.13 0.25 0.02 0.00 0.00 177.57 177.81 1iyg h LEU 12 N -0.04 0.58 0.00 2.57 5.85 -1.46 -3.32 115.31 119.49 1iyg h LEU 12 Ca 0.17 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1iyg h LEU 12 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1iyg h LEU 12 CO -0.38 0.63 0.00 0.59 -0.34 0.00 0.00 178.44 178.94 1iyg n ASN 13 N -4.60 0.00 -4.57 1.25 5.03 -0.45 -4.68 115.26 107.24 1iyg n ASN 13 Ca -0.00 0.53 -0.41 0.00 0.87 0.00 0.00 54.58 55.57 1iyg n ASN 13 Cb 0.17 -0.03 0.02 0.00 -1.02 0.00 0.00 39.78 38.92 1iyg n ASN 13 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1iyg n GLU 14 N -0.67 1.07 0.00 3.52 2.13 0.16 -5.00 120.64 121.85 1iyg n GLU 14 Ca 0.00 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1iyg n GLU 14 Cb 0.00 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1iyg n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iyg n LEU 15 N 0.55 0.00 -4.50 4.31 4.77 -1.26 -4.77 117.00 116.10 1iyg n LEU 15 Ca 0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 1iyg n LEU 15 Cb 0.40 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1iyg n LEU 15 CO 0.55 0.00 -0.46 0.54 -1.33 0.00 0.00 177.39 176.69 1iyg s VAL 16 N 3.18 3.04 -0.11 4.08 0.11 -0.78 -4.74 120.40 125.18 1iyg s VAL 16 Ca 0.00 -1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 57.76 1iyg s VAL 16 Cb 0.00 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1iyg s VAL 16 CO 0.00 0.32 0.49 -0.44 -3.33 0.00 0.00 175.10 172.14 1iyg s SER 17 N -1.52 6.70 0.16 3.54 0.01 -1.26 -4.67 113.70 116.66 1iyg s SER 17 Ca 0.16 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 58.05 1iyg s SER 17 Cb -0.11 -2.29 0.07 0.00 0.21 0.00 0.00 66.02 63.90 1iyg s SER 17 CO 0.07 0.00 1.63 1.62 0.41 0.00 0.00 173.24 176.96 1iyg h VAL 18 N 4.71 0.38 -0.99 3.43 3.04 -1.99 0.41 116.25 125.23 1iyg h VAL 18 Ca -0.41 0.00 0.37 0.00 -1.01 0.00 0.00 66.70 65.65 1iyg h VAL 18 Cb 1.18 0.38 -0.18 0.00 -2.01 0.00 0.00 31.29 30.66 1iyg h VAL 18 CO 0.75 0.00 0.38 1.21 -1.01 0.00 0.00 177.57 178.91 1iyg n GLU 19 N -5.38 -0.07 -0.06 4.17 2.13 -1.26 -0.01 120.64 120.16 1iyg n GLU 19 Ca 0.01 1.41 -0.10 0.00 0.66 0.00 0.00 57.16 59.13 1iyg n GLU 19 Cb 0.30 -2.44 -0.09 0.00 0.27 0.00 0.00 31.44 29.48 1iyg n GLU 19 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1iyg h ASP 20 N 0.00 -0.00 -0.96 4.31 5.19 -1.17 -2.95 116.42 120.84 1iyg h ASP 20 Ca 0.77 -0.70 0.33 0.00 -0.62 0.00 0.00 57.03 56.80 1iyg h ASP 20 Cb 1.94 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.28 1iyg h ASP 20 CO -0.82 0.84 0.24 -0.11 -3.12 0.00 0.00 179.24 176.28 1iyg n LEU 21 N -4.67 0.09 0.20 1.55 -0.00 0.12 0.89 117.00 115.17 1iyg n LEU 21 Ca -0.07 1.61 -0.14 0.00 -0.00 0.00 0.00 56.01 57.41 1iyg n LEU 21 Cb 0.34 -0.67 -0.08 0.00 -0.00 0.00 0.00 43.42 43.01 1iyg n LEU 21 CO 0.24 -1.71 0.53 0.11 -0.00 0.00 0.00 177.39 176.56 1iyg h LYS 22 N 0.00 -0.50 -0.96 1.96 1.79 -0.51 0.44 116.57 118.78 1iyg h LYS 22 Ca 0.68 0.03 0.25 0.00 -2.18 0.00 0.00 60.65 59.44 1iyg h LYS 22 Cb 1.62 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 32.21 1iyg h LYS 22 CO -0.83 -0.19 -0.00 -0.97 -1.08 0.00 0.00 179.45 176.37 1iyg h ASN 23 N -0.83 -0.51 -0.10 0.86 -1.24 0.69 0.88 115.58 115.33 1iyg h ASN 23 Ca -0.05 0.27 -0.24 0.00 0.71 0.00 0.00 56.30 56.99 1iyg h ASN 23 Cb 0.54 0.48 0.01 0.00 0.73 0.00 0.00 38.32 40.08 1iyg h ASN 23 CO 0.09 -0.33 -0.86 -0.26 -1.29 0.00 0.00 177.43 174.78 1iyg h PHE 24 N 0.02 1.06 -0.03 0.67 0.04 -0.76 -3.14 116.94 114.79 1iyg h PHE 24 Ca 0.56 -0.50 0.04 0.00 2.80 0.00 0.00 57.97 60.87 1iyg h PHE 24 Cb 1.11 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 39.05 1iyg h PHE 24 CO -0.52 1.34 -0.32 1.49 -0.60 0.00 0.00 178.31 179.70 1iyg h GLU 25 N 0.50 -0.43 -0.03 1.51 4.81 0.53 -0.80 114.58 120.67 1iyg h GLU 25 Ca -0.08 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1iyg h GLU 25 Cb 1.49 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 1iyg h GLU 25 CO 0.17 -0.29 -0.52 0.00 -0.73 0.00 0.00 179.01 177.64 1iyg h ARG 26 N -0.45 -0.62 -0.82 1.92 3.08 -0.57 0.85 114.38 117.76 1iyg h ARG 26 Ca 0.07 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1iyg h ARG 26 Cb 0.55 0.14 -0.16 0.00 0.08 0.00 0.00 29.97 30.59 1iyg h ARG 26 CO -0.29 -0.41 -0.20 -0.22 -1.07 0.00 0.00 179.97 177.78 1iyg h LYS 27 N -0.64 0.00 0.82 0.04 3.64 -1.42 0.40 116.57 119.41 1iyg h LYS 27 Ca 0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1iyg h LYS 27 Cb 0.71 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1iyg h LYS 27 CO -0.37 0.00 -0.39 0.35 -2.27 0.00 0.00 179.45 176.76 1iyg h PHE 28 N 0.00 -1.02 -0.55 1.91 3.57 0.28 -1.66 116.94 119.47 1iyg h PHE 28 Ca 0.40 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.93 1iyg h PHE 28 Cb 0.61 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1iyg h PHE 28 CO -0.64 -0.63 -0.49 1.96 -2.23 0.00 0.00 178.31 176.27 1iyg h GLN 29 N -1.26 -0.20 -0.01 1.11 4.20 0.19 0.61 115.11 119.75 1iyg h GLN 29 Ca -0.11 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1iyg h GLN 29 Cb 0.84 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1iyg h GLN 29 CO 0.18 -0.13 -0.02 1.03 -0.67 0.00 0.00 178.83 179.22 1iyg h SER 30 N -0.20 -0.07 -0.81 1.46 0.87 -0.30 0.41 113.55 114.90 1iyg h SER 30 Ca 0.09 0.01 0.24 0.00 -1.23 0.00 0.00 61.79 60.90 1iyg h SER 30 Cb 0.45 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1iyg h SER 30 CO -0.63 -0.02 0.90 -0.33 -0.53 0.00 0.00 176.83 176.22 1iyg h GLU 31 N -0.02 0.00 0.54 2.24 5.08 -0.80 0.35 114.58 121.97 1iyg h GLU 31 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1iyg h GLU 31 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1iyg h GLU 31 CO -0.02 0.00 -0.26 0.37 -1.00 0.00 0.00 179.01 178.10 1iyg h GLN 32 N 0.00 -0.69 0.00 2.33 4.15 0.46 -1.07 115.11 120.28 1iyg h GLN 32 Ca 0.39 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1iyg h GLN 32 Cb 2.17 0.16 0.00 0.00 0.21 0.00 0.00 27.48 30.02 1iyg h GLN 32 CO -0.00 -0.46 0.00 0.00 -1.93 0.00 0.00 178.83 176.43 1iyg n ALA 33 N -2.53 1.60 0.16 3.38 0.00 0.21 -1.56 120.51 121.77 1iyg n ALA 33 Ca -0.09 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1iyg n ALA 33 Cb 0.28 -1.23 0.23 0.00 0.00 0.00 0.00 19.45 18.74 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 2.44 0.91 0.00 0.00 0.00 -0.20 -3.47 119.26 118.94 1iyg h ALA 34 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1iyg h ALA 34 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iyg h ALA 34 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1iyg n GLY 35 N 0.42 2.79 0.00 0.00 0.00 -0.60 -5.05 105.19 102.74 1iyg n GLY 35 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1iyg n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iyg n SER 36 N 0.00 0.00 -4.74 1.61 3.41 -0.43 -4.98 113.62 108.50 1iyg n SER 36 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iyg s VAL 37 N -0.25 3.37 0.64 -3.33 1.01 -1.18 -4.56 120.40 116.09 1iyg s VAL 37 Ca 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 1iyg s VAL 37 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1iyg s VAL 37 CO 0.00 0.17 1.13 -0.44 0.00 0.00 0.00 175.10 175.96 1iyg s SER 38 N 0.32 5.17 0.11 3.32 0.01 -1.26 -4.82 113.70 116.55 1iyg s SER 38 Ca 0.56 2.09 -0.33 0.00 1.31 0.00 0.00 55.95 59.58 1iyg s SER 38 Cb -0.35 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.20 1iyg s SER 38 CO 0.37 -1.59 1.57 0.11 0.41 0.00 0.00 173.24 174.10 1iyg h LYS 39 N 0.31 -0.66 -0.15 12.44 1.57 -1.98 0.45 116.57 128.55 1iyg h LYS 39 Ca -0.48 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1iyg h LYS 39 Cb 1.26 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1iyg h LYS 39 CO 0.54 -0.44 -0.09 0.45 -0.57 0.00 0.00 179.45 179.34 1iyg n SER 40 N -5.47 -0.16 -0.27 0.86 2.88 -1.26 0.59 113.62 110.78 1iyg n SER 40 Ca -0.07 1.12 0.05 0.00 -1.33 0.00 0.00 58.87 58.63 1iyg n SER 40 Cb 0.40 -0.46 0.15 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.26 0.19 2.46 2.02 -1.88 0.89 112.91 116.85 1iyg h THR 41 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1iyg h THR 41 Cb 0.06 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1iyg h THR 41 CO -0.14 0.01 -0.19 -0.61 0.37 0.00 0.00 175.52 174.96 1iyg h GLN 42 N 0.06 -0.36 -0.86 6.66 4.15 0.18 0.49 115.11 125.43 1iyg h GLN 42 Ca 0.42 0.02 0.20 0.00 0.77 0.00 0.00 58.65 60.07 1iyg h GLN 42 Cb 0.74 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.45 1iyg h GLN 42 CO -0.74 -0.24 0.58 0.35 -1.93 0.00 0.00 178.83 176.84 1iyg h PHE 43 N -0.37 0.45 0.00 3.99 3.57 0.10 0.17 116.94 124.84 1iyg h PHE 43 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iyg h PHE 43 Cb 0.32 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1iyg h PHE 43 CO -0.13 0.13 0.00 0.39 -2.23 0.00 0.00 178.31 176.47 1iyg n GLU 44 N -4.47 0.00 -0.33 1.11 1.02 0.30 -1.04 120.64 117.22 1iyg n GLU 44 Ca 0.18 0.10 0.17 0.00 -0.02 0.00 0.00 57.16 57.59 1iyg n GLU 44 Cb 0.70 -0.89 0.34 0.00 -0.02 0.00 0.00 31.44 31.56 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 0.17 0.44 -0.32 3.20 0.06 0.47 116.97 120.98 1iyg h TYR 45 Ca 0.00 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1iyg h TYR 45 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1iyg h TYR 45 CO 0.03 -0.40 -0.33 0.00 -1.64 0.00 0.00 178.16 175.81 1iyg h ALA 46 N 1.95 -0.78 -0.69 1.82 0.00 -0.76 0.12 119.26 120.92 1iyg h ALA 46 Ca 0.63 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.60 1iyg h ALA 46 Cb 1.37 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1iyg h ALA 46 CO -0.84 -0.96 0.49 2.35 0.00 0.00 0.00 179.25 180.29 1iyg h TRP 47 N -0.76 0.01 -0.19 0.00 -0.00 0.15 1.30 115.95 116.45 1iyg h TRP 47 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.72 1iyg h TRP 47 Cb 0.65 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.80 1iyg h TRP 47 CO -0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 178.44 177.88 1iyg h LEU 49 N 0.37 -0.45 -1.63 0.00 3.38 0.40 -1.33 115.31 116.06 1iyg h LEU 49 Ca 0.03 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.27 1iyg h LEU 49 Cb 0.88 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1iyg h LEU 49 CO 0.07 -0.22 0.87 -0.37 0.09 0.00 0.00 178.44 178.89 1iyg h VAL 50 N -0.75 0.21 -0.04 1.22 -1.51 -1.21 1.63 116.25 115.80 1iyg h VAL 50 Ca -0.05 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.16 1iyg h VAL 50 Cb 0.41 0.32 0.02 0.00 -2.13 0.00 0.00 31.29 29.90 1iyg h VAL 50 CO 0.09 0.00 -0.96 0.03 -1.23 0.00 0.00 177.57 175.50 1iyg h ARG 51 N 0.00 0.71 -6.10 5.19 3.08 -1.13 -3.45 114.38 112.69 1iyg h ARG 51 Ca 0.42 -0.71 -0.33 0.00 0.07 0.00 0.00 59.98 59.42 1iyg h ARG 51 Cb 2.16 0.19 0.18 0.00 0.08 0.00 0.00 29.97 32.58 1iyg h ARG 51 CO -0.00 1.30 -1.10 0.45 -1.07 0.00 0.00 179.97 179.54 1iyg n SER 52 N -3.87 -2.70 -0.01 7.04 2.88 0.56 -1.86 113.62 115.66 1iyg n SER 52 Ca -0.10 -0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.26 1iyg n SER 52 Cb 0.84 -0.72 -0.12 0.00 -0.75 0.00 0.00 64.21 63.46 1iyg n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iyg n LYS 53 N -0.38 0.64 -1.95 -1.46 -0.00 -1.26 -4.55 118.16 109.20 1iyg n LYS 53 Ca 0.02 0.10 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 1iyg n LYS 53 Cb 0.49 -1.69 -0.02 0.00 -0.00 0.00 0.00 35.03 33.82 1iyg n LYS 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1iyg s TYR 54 N -2.91 2.88 0.07 5.58 1.51 -1.26 -4.92 117.35 118.30 1iyg s TYR 54 Ca -0.05 1.11 -0.14 0.00 -1.01 0.00 0.00 57.07 56.98 1iyg s TYR 54 Cb 0.09 -3.87 -0.21 0.00 -0.11 0.00 0.00 41.96 37.85 1iyg s TYR 54 CO 0.83 -2.70 1.21 -0.91 -1.11 0.00 0.00 175.55 172.87 1iyg h ASN 55 N 4.12 0.88 -0.84 2.29 4.21 -1.94 -2.91 115.58 121.38 1iyg h ASN 55 Ca -0.48 -0.71 0.03 0.00 1.21 0.00 0.00 56.30 56.35 1iyg h ASN 55 Cb 1.23 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 38.11 1iyg h ASN 55 CO 0.72 1.47 0.54 -0.33 -1.29 0.00 0.00 177.43 178.54 1iyg h GLU 56 N 0.37 1.03 -0.58 0.81 4.39 -2.00 -1.67 114.58 116.94 1iyg h GLU 56 Ca -0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1iyg h GLU 56 Cb 1.57 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1iyg h GLU 56 CO 0.18 0.68 0.35 -0.44 -1.16 0.00 0.00 179.01 178.62 1iyg h ASP 57 N 1.06 0.69 0.10 1.42 5.19 -1.89 -2.75 116.42 120.23 1iyg h ASP 57 Ca 0.34 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1iyg h ASP 57 Cb 0.00 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1iyg h ASP 57 CO -0.11 0.54 -0.26 0.40 -3.12 0.00 0.00 179.24 176.69 1iyg h ILE 58 N 0.78 0.00 -0.90 0.35 2.04 -1.12 0.15 117.51 118.82 1iyg h ILE 58 Ca 0.21 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.33 1iyg h ILE 58 Cb -0.02 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 35.89 1iyg h ILE 58 CO -0.04 0.00 0.09 -1.14 0.00 0.00 0.00 178.15 177.06 1iyg n ARG 59 N -3.93 -0.07 0.36 2.37 0.63 -0.87 -0.21 116.66 114.94 1iyg n ARG 59 Ca -0.05 1.33 -0.14 0.00 -0.92 0.00 0.00 57.85 58.07 1iyg n ARG 59 Cb 0.21 -2.15 -0.07 0.00 0.45 0.00 0.00 32.46 30.90 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 -0.88 -1.20 -0.14 -0.00 -0.95 -0.93 114.38 110.27 1iyg h ARG 60 Ca 0.58 0.06 0.39 0.00 -0.50 0.00 0.00 59.98 60.51 1iyg h ARG 60 Cb 1.26 0.20 -0.13 0.00 0.00 0.00 0.00 29.97 31.30 1iyg h ARG 60 CO -0.82 -0.59 0.75 0.78 0.00 0.00 0.00 179.97 180.09 1iyg h GLY 61 N -0.92 1.48 0.96 0.04 0.00 0.14 1.36 103.07 106.13 1iyg h GLY 61 Ca -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1iyg h GLY 61 CO 0.15 -0.40 -0.11 -2.22 0.00 0.00 0.00 176.54 173.96 1iyg h ILE 62 N 0.17 1.28 -0.29 2.60 2.04 -0.59 -0.45 117.51 122.27 1iyg h ILE 62 Ca 0.77 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1iyg h ILE 62 Cb 2.23 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 1iyg h ILE 62 CO -0.45 0.40 0.02 0.58 0.00 0.00 0.00 178.15 178.69 1iyg h VAL 63 N 0.53 0.82 0.91 1.67 2.07 0.32 1.73 116.25 124.29 1iyg h VAL 63 Ca 0.09 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1iyg h VAL 63 Cb 0.63 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1iyg h VAL 63 CO 0.04 0.02 -0.44 -0.07 0.02 0.00 0.00 177.57 177.15 1iyg h LEU 64 N 0.11 -1.03 -1.63 2.57 3.38 -1.08 -1.43 115.31 116.21 1iyg h LEU 64 Ca 0.14 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.30 1iyg h LEU 64 Cb 0.17 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1iyg h LEU 64 CO -0.21 -0.73 0.51 -0.07 0.09 0.00 0.00 178.44 178.03 1iyg h LEU 65 N -1.23 0.34 0.00 1.67 3.38 -0.85 1.38 115.31 119.99 1iyg h LEU 65 Ca -0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iyg h LEU 65 Cb 0.93 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1iyg h LEU 65 CO 0.20 0.17 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 1iyg n GLU 66 N -4.46 0.09 -0.04 1.13 1.02 0.59 -1.49 120.64 117.47 1iyg n GLU 66 Ca 0.15 0.18 0.02 0.00 -0.02 0.00 0.00 57.16 57.48 1iyg n GLU 66 Cb 0.58 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.42 0.78 0.02 3.49 1.02 0.46 -4.21 120.64 120.79 1iyg n GLU 67 Ca 0.06 -0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1iyg n GLU 67 Cb 0.17 -1.47 0.23 0.00 -0.02 0.00 0.00 31.44 30.36 1iyg n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iyg n LEU 68 N -2.39 0.55 0.25 -4.62 4.77 -0.54 -3.61 117.00 111.40 1iyg n LEU 68 Ca -0.15 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 55.77 1iyg n LEU 68 Cb 0.76 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1iyg n LEU 68 CO 0.40 0.05 0.52 -0.07 -1.33 0.00 0.00 177.39 176.96 1iyg h LEU 69 N 0.00 -1.47 -0.67 2.23 -0.00 -1.43 0.32 115.31 114.28 1iyg h LEU 69 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1iyg h LEU 69 Cb 0.60 0.50 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1iyg h LEU 69 CO 0.00 -0.65 0.00 1.55 -0.00 0.00 0.00 178.44 179.34 1iyg h PRO 70 N -0.95 0.00 -0.84 1.13 0.13 -1.82 -2.79 132.00 126.86 1iyg h PRO 70 Ca -0.05 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.80 1iyg h PRO 70 Cb 0.85 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.81 1iyg h PRO 70 CO -0.13 0.00 0.36 1.63 -0.23 0.00 0.00 178.00 179.63 1iyg n LYS 71 N -2.94 3.14 -3.31 0.86 5.02 -0.76 -4.94 118.16 115.24 1iyg n LYS 71 Ca 0.03 -2.81 -0.19 0.00 -2.02 0.00 0.00 58.31 53.32 1iyg n LYS 71 Cb 0.40 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.94 1.67 -0.16 0.72 0.00 0.10 -4.89 107.32 103.82 1iyg s GLY 72 Ca 0.51 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 1iyg s GLY 72 CO 0.12 -1.34 -0.09 -1.26 0.00 0.00 0.00 173.10 170.53 1iyg n SER 73 N -1.75 1.82 0.00 1.64 2.88 -1.26 -4.98 113.62 111.97 1iyg n SER 73 Ca 0.02 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1iyg n SER 73 Cb 0.58 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1iyg n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1iyg n LYS 74 N -4.57 0.00 0.00 -1.46 4.81 -1.26 -4.92 118.16 110.76 1iyg n LYS 74 Ca -0.13 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1iyg n LYS 74 Cb 0.36 0.00 0.57 0.00 0.02 0.00 0.00 35.03 35.99 1iyg n LYS 74 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1iyg n GLU 75 N 0.00 0.06 0.01 1.64 0.28 -1.26 -2.94 120.64 118.43 1iyg n GLU 75 Ca 0.00 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.92 1iyg n GLU 75 Cb 0.00 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.23 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 0.11 -0.29 3.44 5.08 -1.96 -3.33 114.58 117.62 1iyg h GLU 76 Ca 0.00 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1iyg h GLU 76 Cb 0.42 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1iyg h GLU 76 CO 0.00 0.83 0.17 1.96 -1.00 0.00 0.00 179.01 180.96 1iyg h GLN 77 N 0.03 0.39 -0.02 2.33 4.20 -1.86 0.05 115.11 120.23 1iyg h GLN 77 Ca -0.27 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 1iyg h GLN 77 Cb 1.99 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 1iyg h GLN 77 CO 0.11 0.29 -0.32 0.00 -0.67 0.00 0.00 178.83 178.23 1iyg h ARG 78 N 0.40 0.03 0.00 1.46 -0.00 -1.67 -0.72 114.38 113.88 1iyg h ARG 78 Ca 0.11 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.58 1iyg h ARG 78 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1iyg h ARG 78 CO -0.02 0.35 -0.43 -0.44 0.00 0.00 0.00 179.97 179.44 1iyg h ASP 79 N 0.03 0.00 0.00 7.04 5.19 -1.18 -3.29 116.42 124.20 1iyg h ASP 79 Ca 0.00 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1iyg h ASP 79 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1iyg h ASP 79 CO 0.04 0.06 0.00 -1.22 -3.12 0.00 0.00 179.24 175.01 1iyg n TYR 80 N -2.24 0.00 -0.33 4.55 4.01 -0.33 -3.63 117.16 119.19 1iyg n TYR 80 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1iyg n TYR 80 Cb 0.45 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.79 -0.51 -0.38 -0.72 0.31 -0.38 0.79 118.33 115.66 1iyg n VAL 81 Ca 0.00 1.95 -0.04 0.00 -0.01 0.00 0.00 64.34 66.24 1iyg n VAL 81 Cb 0.00 -2.47 0.01 0.00 -0.91 0.00 0.00 33.84 30.47 1iyg n VAL 81 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1iyg h PHE 82 N 0.00 -1.26 -0.17 3.52 3.57 -1.76 1.26 116.94 122.09 1iyg h PHE 82 Ca 0.19 0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1iyg h PHE 82 Cb 0.39 0.69 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1iyg h PHE 82 CO -0.79 -0.40 -0.13 1.88 -2.23 0.00 0.00 178.31 176.64 1iyg h TYR 83 N -0.02 0.29 -0.19 0.41 0.05 0.32 0.42 116.97 118.25 1iyg h TYR 83 Ca 0.30 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.96 1iyg h TYR 83 Cb 0.56 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1iyg h TYR 83 CO -0.89 0.41 -0.22 -0.07 -1.05 0.00 0.00 178.16 176.34 1iyg h LEU 84 N 0.26 0.33 0.00 3.88 4.07 0.46 0.16 115.31 124.48 1iyg h LEU 84 Ca 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1iyg h LEU 84 Cb 0.40 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1iyg h LEU 84 CO 0.02 0.57 -0.18 0.00 -1.08 0.00 0.00 178.44 177.77 1iyg h ALA 85 N 1.47 0.01 -0.96 1.53 0.00 0.88 -1.51 119.26 120.68 1iyg h ALA 85 Ca 0.05 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 54.95 1iyg h ALA 85 Cb 0.56 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1iyg h ALA 85 CO 0.04 0.14 0.53 -0.24 0.00 0.00 0.00 179.25 179.72 1iyg h VAL 86 N -1.00 0.52 -0.06 0.00 3.04 -0.23 1.01 116.25 119.52 1iyg h VAL 86 Ca -0.02 -0.18 -0.04 0.00 -1.01 0.00 0.00 66.70 65.45 1iyg h VAL 86 Cb 0.33 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.56 1iyg h VAL 86 CO -0.01 0.09 -0.14 1.23 -1.01 0.00 0.00 177.57 177.74 1iyg h GLY 87 N 0.52 0.22 0.77 3.17 0.00 -0.80 -2.85 103.07 104.09 1iyg h GLY 87 Ca 0.61 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.71 1iyg h GLY 87 CO -0.49 0.24 0.19 3.43 0.00 0.00 0.00 176.54 179.91 1iyg h ASN 88 N -0.31 0.27 -0.16 0.19 2.35 0.17 -2.49 115.58 115.60 1iyg h ASN 88 Ca -0.00 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1iyg h ASN 88 Cb 0.73 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.01 1iyg h ASN 88 CO 0.03 0.20 -0.36 0.22 -1.65 0.00 0.00 177.43 175.87 1iyg h TYR 89 N 0.39 -1.01 -0.15 1.19 3.20 0.12 0.51 116.97 121.24 1iyg h TYR 89 Ca 0.18 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1iyg h TYR 89 Cb 0.10 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1iyg h TYR 89 CO -0.11 -0.43 0.34 -0.09 -1.64 0.00 0.00 178.16 176.24 1iyg h ARG 90 N -0.42 0.00 -0.58 1.82 1.12 -1.22 1.60 114.38 116.70 1iyg h ARG 90 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1iyg h ARG 90 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1iyg h ARG 90 CO -0.39 0.00 0.00 -0.11 -3.11 0.00 0.00 179.97 176.36 1iyg n LEU 91 N -3.25 2.83 0.00 3.80 0.00 0.15 -4.84 117.00 115.70 1iyg n LEU 91 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 56.01 54.60 1iyg n LEU 91 Cb 0.44 -0.43 0.00 0.00 0.00 0.00 0.00 43.42 43.43 1iyg n LEU 91 CO 0.20 0.50 0.00 0.29 0.00 0.00 0.00 177.39 178.37 1iyg n LYS 92 N 0.52 -0.68 -3.02 1.96 4.76 0.54 -4.92 118.16 117.32 1iyg n LYS 92 Ca 0.14 0.17 -0.45 0.00 -2.87 0.00 0.00 58.31 55.31 1iyg n LYS 92 Cb 0.54 -3.81 -0.02 0.00 -1.84 0.00 0.00 35.03 29.90 1iyg n LYS 92 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1iyg s GLU 93 N -0.82 3.65 -0.10 1.97 0.41 0.39 -4.81 118.70 119.38 1iyg s GLU 93 Ca 0.00 -2.00 -0.23 0.00 -0.41 0.00 0.00 54.97 52.33 1iyg s GLU 93 Cb 0.00 -4.82 -0.28 0.00 -1.78 0.00 0.00 34.13 27.25 1iyg s GLU 93 CO 0.00 -1.66 0.74 1.88 -0.49 0.00 0.00 175.26 175.73 1iyg h TYR 94 N 8.45 0.30 0.00 1.61 0.05 -1.84 -2.75 116.97 122.78 1iyg h TYR 94 Ca 0.16 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1iyg h TYR 94 Cb 1.01 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1iyg h TYR 94 CO 1.13 1.26 0.00 0.39 -1.05 0.00 0.00 178.16 179.88 1iyg n GLU 95 N -4.29 0.00 -0.32 4.88 1.02 -1.26 0.52 120.64 121.20 1iyg n GLU 95 Ca -0.16 0.60 0.17 0.00 -0.02 0.00 0.00 57.16 57.75 1iyg n GLU 95 Cb 0.71 -1.21 0.37 0.00 -0.02 0.00 0.00 31.44 31.29 1iyg n GLU 95 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iyg h LYS 96 N 0.00 0.37 0.00 3.49 1.79 -1.99 0.35 116.57 120.59 1iyg h LYS 96 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1iyg h LYS 96 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1iyg h LYS 96 CO 0.00 0.25 0.00 0.00 -1.08 0.00 0.00 179.45 178.62 1iyg n ALA 97 N -2.44 -0.22 -0.09 3.86 0.00 -0.13 -0.68 120.51 120.81 1iyg n ALA 97 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1iyg n ALA 97 Cb 0.77 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 20.36 1iyg n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iyg h LEU 98 N 0.00 -1.43 -1.26 0.00 3.38 0.99 1.61 115.31 118.59 1iyg h LEU 98 Ca 0.00 0.19 0.42 0.00 0.09 0.00 0.00 57.88 58.58 1iyg h LEU 98 Cb 0.00 0.58 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1iyg h LEU 98 CO 0.00 -0.32 0.83 0.29 0.09 0.00 0.00 178.44 179.33 1iyg n LYS 99 N -4.77 -0.03 0.01 1.13 5.02 0.03 0.23 118.16 119.78 1iyg n LYS 99 Ca -0.03 1.04 -0.22 0.00 -2.02 0.00 0.00 58.31 57.08 1iyg n LYS 99 Cb 0.27 -2.10 -0.14 0.00 -0.02 0.00 0.00 35.03 33.04 1iyg n LYS 99 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1iyg h TYR 100 N 0.00 0.50 0.24 2.13 0.05 0.27 -3.14 116.97 117.01 1iyg h TYR 100 Ca 0.76 -0.37 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 1iyg h TYR 100 Cb 2.55 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 40.28 1iyg h TYR 100 CO -0.00 1.73 -0.11 0.28 -1.05 0.00 0.00 178.16 179.00 1iyg h VAL 101 N -0.03 0.83 -0.32 -2.88 2.07 1.37 -0.82 116.25 116.45 1iyg h VAL 101 Ca -0.39 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1iyg h VAL 101 Cb 1.98 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1iyg h VAL 101 CO 0.08 0.11 0.23 0.03 0.02 0.00 0.00 177.57 178.04 1iyg h ARG 102 N -0.58 0.12 -0.01 1.57 2.47 0.26 0.76 114.38 118.97 1iyg h ARG 102 Ca -0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1iyg h ARG 102 Cb 0.42 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1iyg h ARG 102 CO 0.05 0.08 -0.02 0.41 0.56 0.00 0.00 179.97 181.05 1iyg n GLY 103 N -1.57 -0.46 0.40 0.04 0.00 -1.02 -3.53 105.19 99.05 1iyg n GLY 103 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1iyg n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iyg n LEU 104 N -0.37 1.63 -0.17 0.99 -0.00 0.18 -4.51 117.00 114.75 1iyg n LEU 104 Ca 0.20 0.10 0.25 0.00 -0.00 0.00 0.00 56.01 56.56 1iyg n LEU 104 Cb 0.26 -0.45 0.66 0.00 -0.00 0.00 0.00 43.42 43.88 1iyg n LEU 104 CO 0.18 0.44 1.24 -0.07 -0.00 0.00 0.00 177.39 179.18 1iyg h LEU 105 N -0.37 0.12 0.07 -1.96 -0.00 0.10 0.51 115.31 113.77 1iyg h LEU 105 Ca -0.36 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1iyg h LEU 105 Cb 1.38 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 1iyg h LEU 105 CO -0.18 0.05 -0.34 1.56 -0.00 0.00 0.00 178.44 179.53 1iyg h GLN 106 N 0.12 -0.46 -0.00 1.13 4.20 -1.78 1.63 115.11 119.95 1iyg h GLN 106 Ca 0.42 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1iyg h GLN 106 Cb 1.46 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1iyg h GLN 106 CO -0.06 -0.31 -0.06 -2.37 -0.67 0.00 0.00 178.83 175.37 1iyg n THR 107 N -4.36 0.00 -3.19 -0.54 5.66 -0.67 -3.96 114.28 107.22 1iyg n THR 107 Ca -0.05 -0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.73 1iyg n THR 107 Cb 0.26 -0.33 -0.04 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.19 0.89 -0.03 1.09 -0.58 0.17 -4.94 120.64 116.06 1iyg n GLU 108 Ca 0.14 -3.33 -0.15 0.00 -0.42 0.00 0.00 57.16 53.40 1iyg n GLU 108 Cb 0.26 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.47 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 3.33 0.17 -0.01 3.49 0.13 0.22 -3.14 132.00 136.19 1iyg h PRO 109 Ca 0.09 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1iyg h PRO 109 Cb 0.94 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1iyg h PRO 109 CO 0.49 0.87 0.03 -0.56 -0.23 0.00 0.00 178.00 178.60 1iyg h GLN 110 N -0.48 0.00 -6.15 0.86 3.07 -1.92 -3.42 115.11 107.07 1iyg h GLN 110 Ca -0.02 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.15 1iyg h GLN 110 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.50 1iyg h GLN 110 CO 0.04 0.00 1.38 1.21 0.09 0.00 0.00 178.83 181.56 1iyg s ASN 111 N -5.26 5.88 0.03 0.06 3.84 -1.18 -4.84 114.94 113.47 1iyg s ASN 111 Ca -0.05 2.24 -0.18 0.00 0.21 0.00 0.00 52.86 55.09 1iyg s ASN 111 Cb 0.13 -2.52 -0.22 0.00 -0.55 0.00 0.00 41.25 38.09 1iyg s ASN 111 CO 0.42 -1.57 1.15 0.78 -2.79 0.00 0.00 177.10 175.09 1iyg h ASN 112 N 13.16 0.67 -1.00 -4.21 4.21 -1.89 -1.73 115.58 124.79 1iyg h ASN 112 Ca -0.45 -0.73 0.22 0.00 1.21 0.00 0.00 56.30 56.55 1iyg h ASN 112 Cb 1.24 -0.20 -0.11 0.00 -1.12 0.00 0.00 38.32 38.13 1iyg h ASN 112 CO 0.95 1.31 0.61 1.56 -1.29 0.00 0.00 177.43 180.58 1iyg h GLN 113 N 0.10 0.63 0.01 0.81 4.20 -1.88 0.22 115.11 119.21 1iyg h GLN 113 Ca -0.08 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1iyg h GLN 113 Cb 1.40 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1iyg h GLN 113 CO 0.14 0.42 -0.18 0.00 -0.67 0.00 0.00 178.83 178.54 1iyg h ALA 114 N 1.67 0.01 -1.04 3.87 0.00 -1.89 -3.01 119.26 118.86 1iyg h ALA 114 Ca 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iyg h ALA 114 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1iyg h ALA 114 CO -0.39 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.54 1iyg n LYS 115 N -4.55 0.00 -0.40 0.00 5.02 -0.33 -0.19 118.16 117.72 1iyg n LYS 115 Ca -0.10 0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 56.77 1iyg n LYS 115 Cb 0.50 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.03 -0.35 1.97 5.08 -1.19 -0.44 114.58 119.63 1iyg h GLU 116 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1iyg h GLU 116 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1iyg h GLU 116 CO 0.00 -0.02 -0.21 1.25 -1.00 0.00 0.00 179.01 179.03 1iyg h LEU 117 N -0.03 -0.78 -0.88 1.33 5.85 -1.28 1.65 115.31 121.17 1iyg h LEU 117 Ca 0.16 0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.20 1iyg h LEU 117 Cb 0.43 0.34 -0.17 0.00 0.37 0.00 0.00 40.66 41.64 1iyg h LEU 117 CO -0.92 -0.09 -0.15 1.21 -0.34 0.00 0.00 178.44 178.16 1iyg n GLU 118 N -3.81 -0.08 -0.10 1.25 2.13 0.74 0.18 120.64 120.95 1iyg n GLU 118 Ca 0.01 1.36 -0.13 0.00 0.66 0.00 0.00 57.16 59.06 1iyg n GLU 118 Cb 0.10 -2.07 -0.04 0.00 0.27 0.00 0.00 31.44 29.70 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 0.72 -0.50 5.31 3.08 0.73 -2.42 114.38 121.30 1iyg h ARG 119 Ca 0.46 -0.36 0.10 0.00 0.07 0.00 0.00 59.98 60.25 1iyg h ARG 119 Cb 0.78 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 1iyg h ARG 119 CO -0.89 0.98 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.84 1iyg h LEU 120 N 0.48 -0.38 -0.50 3.04 3.38 1.27 0.89 115.31 123.50 1iyg h LEU 120 Ca 0.06 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1iyg h LEU 120 Cb 0.82 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1iyg h LEU 120 CO 0.07 -0.14 0.33 0.40 0.09 0.00 0.00 178.44 179.19 1iyg h ILE 121 N 0.04 1.13 -0.91 1.22 2.04 -0.52 0.17 117.51 120.67 1iyg h ILE 121 Ca 0.24 -0.24 0.24 0.00 1.00 0.00 0.00 64.86 66.11 1iyg h ILE 121 Cb 0.38 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1iyg h ILE 121 CO -0.48 0.12 0.63 -0.78 0.00 0.00 0.00 178.15 177.65 1iyg h ASP 122 N 0.67 0.16 0.00 1.72 3.58 -0.37 -0.38 116.42 121.81 1iyg h ASP 122 Ca 0.18 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1iyg h ASP 122 Cb -0.08 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1iyg h ASP 122 CO -0.04 0.06 -0.11 0.11 -2.88 0.00 0.00 179.24 176.38 1iyg h LYS 123 N 0.16 0.00 -0.70 0.28 1.57 0.32 -3.26 116.57 114.93 1iyg h LYS 123 Ca 0.46 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.30 1iyg h LYS 123 Cb 1.53 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.76 1iyg h LYS 123 CO -0.08 0.75 -0.43 0.00 -0.57 0.00 0.00 179.45 179.12 1iyg h ALA 124 N -0.28 -0.43 -0.71 3.86 0.00 0.82 0.72 119.26 123.24 1iyg h ALA 124 Ca -0.03 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1iyg h ALA 124 Cb 0.79 1.26 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 1iyg h ALA 124 CO -0.02 -0.73 -0.53 0.52 0.00 0.00 0.00 179.25 178.49 1iyg h MET 125 N -0.02 -0.14 -0.61 0.00 2.86 -1.31 0.29 114.93 115.99 1iyg h MET 125 Ca 0.11 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.87 1iyg h MET 125 Cb 0.31 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 1iyg h MET 125 CO -0.67 -0.09 0.16 0.87 1.06 0.00 0.00 176.91 178.24 1iyg h LYS 126 N -0.15 0.29 -5.70 1.72 1.79 -1.06 -3.21 116.57 110.26 1iyg h LYS 126 Ca 0.12 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 58.06 1iyg h LYS 126 Cb 0.45 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1iyg h LYS 126 CO -0.74 0.19 1.61 0.15 -1.08 0.00 0.00 179.45 179.58 1iyg s LYS 127 N -6.10 3.25 0.20 3.15 1.02 0.23 -4.87 119.74 116.63 1iyg s LYS 127 Ca -0.13 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1iyg s LYS 127 Cb 0.18 -5.38 -0.04 0.00 -0.52 0.00 0.00 37.83 32.06 1iyg s LYS 127 CO 0.74 -3.06 0.08 -1.12 -0.92 0.00 0.00 175.35 171.07 1iyg s SER 128 N 5.43 0.68 0.00 2.83 0.01 -1.21 -4.80 113.70 116.63 1iyg s SER 128 Ca 0.61 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1iyg s SER 128 Cb 0.01 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1iyg s SER 128 CO 0.09 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1iyg n GLY 129 N -0.28 2.15 3.61 3.44 0.00 -1.26 -5.11 105.19 107.73 1iyg n GLY 129 Ca -0.02 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 1.20 3.63 0.19 1.61 0.04 -1.26 -4.96 135.00 135.45 1iyg s PRO 130 Ca 0.00 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1iyg s PRO 130 Cb 0.00 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 1iyg s PRO 130 CO 0.00 -1.49 0.35 -1.12 0.04 0.00 0.00 177.00 174.78 1iyg s SER 131 N 3.77 -0.01 -0.17 6.66 0.01 -1.26 -5.09 113.70 117.61 1iyg s SER 131 Ca 0.61 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1iyg s SER 131 Cb -0.14 0.49 -0.07 0.00 0.21 0.00 0.00 66.02 66.51 1iyg s SER 131 CO 0.31 -0.97 -0.19 -1.20 0.41 0.00 0.00 173.24 171.60 1iyg n SER 132 N -0.28 1.86 0.00 2.44 7.64 -1.26 -5.30 113.62 118.72 1iyg n SER 132 Ca -0.05 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1iyg n SER 132 Cb 0.63 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64