#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 -0.17 -0.96 1.61 0.15 -1.26 -5.09 113.70 107.98 1iyg s SER 2 Ca 0.00 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1iyg s SER 2 Cb 0.00 0.19 0.21 0.00 -1.71 0.00 0.00 66.02 64.71 1iyg s SER 2 CO 0.00 -0.31 1.00 -0.44 1.20 0.00 0.00 173.24 174.69 1iyg s SER 3 N -2.30 6.91 0.00 5.45 0.01 -1.26 -4.92 113.70 117.60 1iyg s SER 3 Ca 0.09 -2.82 0.00 0.00 1.31 0.00 0.00 55.95 54.53 1iyg s SER 3 Cb -0.01 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1iyg s SER 3 CO -0.05 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1iyg n GLY 4 N 3.98 0.92 2.59 3.44 0.00 -1.26 -5.02 105.19 109.84 1iyg n GLY 4 Ca 0.21 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.01 1.99 -0.48 1.61 0.15 -1.26 -5.08 113.70 110.61 1iyg s SER 5 Ca 0.00 -2.00 -0.12 0.00 0.70 0.00 0.00 55.95 54.53 1iyg s SER 5 Cb 0.00 0.05 0.11 0.00 -1.71 0.00 0.00 66.02 64.47 1iyg s SER 5 CO 0.00 -0.27 0.39 -0.94 1.20 0.00 0.00 173.24 173.62 1iyg s SER 6 N 1.13 5.92 0.00 5.45 1.04 -1.26 -4.67 113.70 121.31 1iyg s SER 6 Ca 0.19 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1iyg s SER 6 Cb -0.17 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1iyg s SER 6 CO -0.02 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1iyg n GLY 7 N 5.07 3.17 0.01 7.32 0.00 -1.26 -5.05 105.19 114.44 1iyg n GLY 7 Ca -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 0.17 0.12 1.61 1.56 -1.26 -4.33 117.12 114.99 1iyg n MET 8 Ca 0.00 0.01 0.11 0.00 -0.27 0.00 0.00 57.70 57.55 1iyg n MET 8 Cb 0.00 -1.02 0.48 0.00 2.15 0.00 0.00 33.22 34.83 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 -2.51 0.17 -0.08 2.12 2.13 -1.26 -2.26 120.64 118.95 1iyg n GLU 9 Ca -0.02 0.44 -0.10 0.00 0.66 0.00 0.00 57.16 58.14 1iyg n GLU 9 Cb 0.52 -1.85 -0.05 0.00 0.27 0.00 0.00 31.44 30.33 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 2.25 0.09 -0.92 4.31 0.00 -1.83 -3.04 119.26 120.11 1iyg h ALA 10 Ca 0.00 -0.72 0.26 0.00 0.00 0.00 0.00 54.91 54.45 1iyg h ALA 10 Cb 0.31 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 1iyg h ALA 10 CO 0.00 0.55 0.36 0.28 0.00 0.00 0.00 179.25 180.44 1iyg h VAL 11 N -1.00 0.32 -0.28 0.00 2.07 -1.73 1.76 116.25 117.40 1iyg h VAL 11 Ca -0.12 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1iyg h VAL 11 Cb 0.76 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1iyg h VAL 11 CO -0.07 0.05 -0.34 0.25 0.02 0.00 0.00 177.57 177.48 1iyg h LEU 12 N 0.27 0.64 0.55 2.57 5.85 -1.62 -3.24 115.31 120.32 1iyg h LEU 12 Ca 0.61 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 1iyg h LEU 12 Cb 1.28 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.14 1iyg h LEU 12 CO -0.63 0.93 -0.26 0.78 -0.34 0.00 0.00 178.44 178.91 1iyg h ASN 13 N 0.52 -0.62 -1.37 1.25 2.35 0.21 -3.45 115.58 114.46 1iyg h ASN 13 Ca 0.06 0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 1iyg h ASN 13 Cb 0.84 0.16 0.13 0.00 0.05 0.00 0.00 38.32 39.50 1iyg h ASN 13 CO 0.07 -0.22 -0.77 1.21 -1.65 0.00 0.00 177.43 176.07 1iyg n GLU 14 N -5.22 0.00 -2.66 0.81 0.00 0.43 -4.98 120.64 109.03 1iyg n GLU 14 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.99 1iyg n GLU 14 Cb 0.29 -0.90 -0.02 0.00 0.00 0.00 0.00 31.44 30.81 1iyg n GLU 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1iyg n LEU 15 N 2.04 0.00 -4.50 4.31 4.77 -1.26 -4.93 117.00 117.42 1iyg n LEU 15 Ca 0.11 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 55.00 1iyg n LEU 15 Cb 0.33 0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1iyg n LEU 15 CO 0.50 -0.11 -0.47 0.54 -1.33 0.00 0.00 177.39 176.51 1iyg s VAL 16 N -1.52 3.00 -0.06 4.08 0.11 -1.21 -4.87 120.40 119.93 1iyg s VAL 16 Ca 0.01 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1iyg s VAL 16 Cb 0.00 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.49 1iyg s VAL 16 CO 0.01 0.22 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.51 1iyg s SER 17 N -1.81 4.84 0.21 3.54 0.01 -1.26 -4.48 113.70 114.75 1iyg s SER 17 Ca 0.17 0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 1iyg s SER 17 Cb -0.11 -1.25 0.31 0.00 0.21 0.00 0.00 66.02 65.19 1iyg s SER 17 CO 0.09 0.35 1.70 0.58 0.41 0.00 0.00 173.24 176.36 1iyg h VAL 18 N 4.10 0.60 -0.98 3.43 2.07 -2.00 0.45 116.25 123.92 1iyg h VAL 18 Ca -0.49 -0.08 0.29 0.00 0.82 0.00 0.00 66.70 67.24 1iyg h VAL 18 Cb 1.18 0.35 -0.18 0.00 -1.52 0.00 0.00 31.29 31.11 1iyg h VAL 18 CO 0.53 0.04 0.12 -0.08 0.02 0.00 0.00 177.57 178.21 1iyg h GLU 19 N 0.24 0.02 0.00 1.57 4.22 -1.99 1.13 114.58 119.77 1iyg h GLU 19 Ca 0.33 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.72 1iyg h GLU 19 Cb 0.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1iyg h GLU 19 CO -0.43 0.01 -0.28 -0.44 -2.18 0.00 0.00 179.01 175.70 1iyg h ASP 20 N 0.02 0.00 -0.96 1.04 3.32 -1.34 -3.06 116.42 115.45 1iyg h ASP 20 Ca 0.63 -0.55 0.22 0.00 0.02 0.00 0.00 57.03 57.35 1iyg h ASP 20 Cb 1.38 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.75 1iyg h ASP 20 CO -0.88 0.93 -0.14 0.25 -1.72 0.00 0.00 179.24 177.68 1iyg h LEU 21 N -1.00 -0.73 -0.44 1.55 7.12 0.14 1.40 115.31 123.35 1iyg h LEU 21 Ca -0.06 0.28 -0.00 0.00 0.13 0.00 0.00 57.88 58.22 1iyg h LEU 21 Cb 0.74 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 1iyg h LEU 21 CO -0.04 -0.32 0.26 0.11 -0.13 0.00 0.00 178.44 178.32 1iyg h LYS 22 N 0.01 0.61 -0.48 1.25 1.79 0.11 1.46 116.57 121.32 1iyg h LYS 22 Ca 0.50 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 59.01 1iyg h LYS 22 Cb 0.87 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 31.31 1iyg h LYS 22 CO -0.95 0.46 -0.03 -0.97 -1.08 0.00 0.00 179.45 176.88 1iyg h ASN 23 N 0.58 -0.27 -0.00 0.86 -0.73 0.18 0.84 115.58 117.05 1iyg h ASN 23 Ca 0.16 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1iyg h ASN 23 Cb 0.01 0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1iyg h ASN 23 CO -0.03 -0.10 -0.01 -0.26 -0.37 0.00 0.00 177.43 176.67 1iyg h PHE 24 N 0.08 0.01 -0.43 0.67 0.04 -0.26 -2.08 116.94 114.97 1iyg h PHE 24 Ca 0.24 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.13 1iyg h PHE 24 Cb 0.37 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1iyg h PHE 24 CO -0.34 0.70 0.39 1.49 -0.60 0.00 0.00 178.31 179.96 1iyg h GLU 25 N -0.68 0.00 0.07 1.51 4.81 0.25 0.16 114.58 120.70 1iyg h GLU 25 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1iyg h GLU 25 Cb 0.70 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1iyg h GLU 25 CO 0.00 0.00 -0.46 -0.09 -0.73 0.00 0.00 179.01 177.73 1iyg h ARG 26 N 0.00 0.18 -0.34 1.92 2.43 0.75 -2.90 114.38 116.42 1iyg h ARG 26 Ca 0.21 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1iyg h ARG 26 Cb 0.99 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1iyg h ARG 26 CO -0.00 1.12 0.14 -0.22 -1.51 0.00 0.00 179.97 179.50 1iyg h LYS 27 N -0.61 0.29 0.30 0.20 1.63 -0.34 0.15 116.57 118.19 1iyg h LYS 27 Ca -0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1iyg h LYS 27 Cb 1.35 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 1iyg h LYS 27 CO 0.09 0.19 -0.30 0.35 -3.45 0.00 0.00 179.45 176.33 1iyg h PHE 28 N 0.30 -0.84 -0.20 1.91 3.57 -0.88 0.65 116.94 121.44 1iyg h PHE 28 Ca 0.15 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1iyg h PHE 28 Cb 0.10 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1iyg h PHE 28 CO -0.12 -0.40 -0.47 1.96 -2.23 0.00 0.00 178.31 177.05 1iyg h GLN 29 N -0.60 -0.42 -0.05 1.11 4.20 -1.39 0.50 115.11 118.46 1iyg h GLN 29 Ca -0.04 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1iyg h GLN 29 Cb 0.52 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1iyg h GLN 29 CO -0.04 -0.28 -0.39 1.03 -0.67 0.00 0.00 178.83 178.48 1iyg h SER 30 N -0.43 -1.24 -1.23 1.46 0.87 -0.90 0.29 113.55 112.37 1iyg h SER 30 Ca 0.04 0.14 0.36 0.00 -1.23 0.00 0.00 61.79 61.10 1iyg h SER 30 Cb 0.55 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 1iyg h SER 30 CO -0.42 -0.37 0.88 -0.33 -0.53 0.00 0.00 176.83 176.07 1iyg h GLU 31 N -0.45 0.01 0.72 2.24 4.39 0.76 0.55 114.58 122.79 1iyg h GLU 31 Ca 0.02 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1iyg h GLU 31 Cb 0.51 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1iyg h GLU 31 CO -0.29 0.01 -0.35 0.37 -1.16 0.00 0.00 179.01 177.59 1iyg h GLN 32 N 0.01 -0.93 0.00 2.33 4.15 0.37 -2.05 115.11 118.99 1iyg h GLN 32 Ca 0.59 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1iyg h GLN 32 Cb 2.34 0.21 0.00 0.00 0.21 0.00 0.00 27.48 30.24 1iyg h GLN 32 CO -0.01 -0.62 0.00 0.00 -1.93 0.00 0.00 178.83 176.26 1iyg n ALA 33 N -2.64 1.64 0.15 3.38 0.00 -0.08 -1.56 120.51 121.40 1iyg n ALA 33 Ca -0.12 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1iyg n ALA 33 Cb 0.38 -1.22 0.20 0.00 0.00 0.00 0.00 19.45 18.81 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 2.49 0.87 0.00 0.00 0.00 0.37 -3.47 119.26 119.53 1iyg h ALA 34 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1iyg h ALA 34 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iyg h ALA 34 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1iyg n GLY 35 N 0.51 2.79 0.00 0.00 0.00 -0.60 -5.05 105.19 102.84 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 -4.71 1.61 3.41 -0.80 -4.99 113.62 108.13 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 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 0.00 3.28 0.40 -3.33 1.01 -1.21 -4.63 120.40 115.92 1iyg s VAL 37 Ca 0.00 0.91 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 1iyg s VAL 37 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1iyg s VAL 37 CO 0.00 0.07 1.02 -0.44 0.00 0.00 0.00 175.10 175.75 1iyg s SER 38 N 1.13 6.82 0.21 3.32 0.01 -1.26 -4.87 113.70 119.05 1iyg s SER 38 Ca 0.65 1.95 -0.15 0.00 1.31 0.00 0.00 55.95 59.70 1iyg s SER 38 Cb -0.37 -2.58 0.21 0.00 0.21 0.00 0.00 66.02 63.50 1iyg s SER 38 CO 0.30 -0.45 1.61 0.11 0.41 0.00 0.00 173.24 175.23 1iyg h LYS 39 N 2.40 -0.05 -0.73 12.44 1.57 -1.98 0.11 116.57 130.33 1iyg h LYS 39 Ca -0.48 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1iyg h LYS 39 Cb 1.21 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 1iyg h LYS 39 CO 0.62 -0.03 -0.51 0.77 -0.57 0.00 0.00 179.45 179.72 1iyg h SER 40 N -0.05 -1.81 -0.14 0.86 0.02 -1.99 1.14 113.55 111.58 1iyg h SER 40 Ca 0.29 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1iyg h SER 40 Cb 0.50 0.81 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1iyg h SER 40 CO -0.67 -0.31 0.09 0.74 -1.14 0.00 0.00 176.83 175.54 1iyg h THR 41 N -0.16 1.04 0.24 -2.27 2.02 -1.41 0.17 112.91 112.54 1iyg h THR 41 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1iyg h THR 41 Cb 0.52 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1iyg h THR 41 CO -0.79 0.04 -0.11 -0.61 0.37 0.00 0.00 175.52 174.42 1iyg h GLN 42 N 0.20 -0.31 -0.73 6.66 4.15 0.34 -1.19 115.11 124.24 1iyg h GLN 42 Ca 0.05 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.62 1iyg h GLN 42 Cb -0.01 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 1iyg h GLN 42 CO -0.01 -0.20 0.48 0.35 -1.93 0.00 0.00 178.83 177.52 1iyg h PHE 43 N -0.41 0.54 0.00 3.99 3.04 0.07 0.13 116.94 124.29 1iyg h PHE 43 Ca -0.03 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1iyg h PHE 43 Cb 0.24 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1iyg h PHE 43 CO 0.11 0.22 0.00 0.39 -2.02 0.00 0.00 178.31 177.01 1iyg n GLU 44 N -4.49 0.00 -0.23 1.11 -0.58 0.59 -0.49 120.64 116.56 1iyg n GLU 44 Ca 0.13 0.17 0.02 0.00 -0.42 0.00 0.00 57.16 57.06 1iyg n GLU 44 Cb 0.46 -1.13 0.10 0.00 -0.57 0.00 0.00 31.44 30.31 1iyg n GLU 44 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1iyg h TYR 45 N 0.00 -0.19 -0.71 -0.32 3.20 -1.14 0.96 116.97 118.77 1iyg h TYR 45 Ca 0.00 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.06 1iyg h TYR 45 Cb 0.00 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1iyg h TYR 45 CO 0.07 -0.25 0.47 0.00 -1.64 0.00 0.00 178.16 176.82 1iyg h ALA 46 N 1.66 2.09 -0.00 1.82 0.00 -0.81 0.78 119.26 124.80 1iyg h ALA 46 Ca 0.35 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1iyg h ALA 46 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1iyg h ALA 46 CO -0.64 -0.27 -0.79 2.35 0.00 0.00 0.00 179.25 179.90 1iyg h TRP 47 N 0.41 0.03 -0.42 0.00 -0.00 0.34 -2.34 115.95 113.98 1iyg h TRP 47 Ca 0.34 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 59.08 1iyg h TRP 47 Cb 0.76 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.90 1iyg h TRP 47 CO -0.00 0.80 -0.29 0.00 -0.00 0.00 0.00 178.44 178.96 1iyg h LEU 49 N 0.78 -0.15 -5.52 0.00 3.38 -0.24 -2.90 115.31 110.66 1iyg h LEU 49 Ca 0.09 -0.12 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 1iyg h LEU 49 Cb 0.86 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1iyg h LEU 49 CO 0.08 0.03 2.25 1.33 0.09 0.00 0.00 178.44 182.21 1iyg n VAL 50 N -5.10 1.95 0.00 1.22 0.24 -0.89 -1.82 118.33 113.93 1iyg n VAL 50 Ca -0.08 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.06 1iyg n VAL 50 Cb 0.15 -2.00 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 1iyg n VAL 50 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1iyg n ARG 51 N 4.32 0.00 -1.11 7.34 1.74 -1.20 -4.58 116.66 123.17 1iyg n ARG 51 Ca 0.35 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.07 1iyg n ARG 51 Cb 0.11 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1iyg n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iyg n SER 52 N -0.73 -4.37 0.02 0.55 2.88 -0.75 -3.36 113.62 107.85 1iyg n SER 52 Ca 0.00 0.46 0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1iyg n SER 52 Cb 0.00 -0.78 0.51 0.00 -0.75 0.00 0.00 64.21 63.19 1iyg n SER 52 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iyg h LYS 53 N -0.36 0.35 -7.30 -1.46 2.10 -1.90 -3.42 116.57 104.57 1iyg h LYS 53 Ca -0.40 -0.02 -0.51 0.00 -2.00 0.00 0.00 60.65 57.72 1iyg h LYS 53 Cb 1.33 -0.08 0.09 0.00 -0.90 0.00 0.00 32.23 32.67 1iyg h LYS 53 CO 0.33 0.23 0.37 0.71 -2.00 0.00 0.00 179.45 179.10 1iyg s TYR 54 N -5.35 3.05 -0.27 0.07 2.02 -1.26 -5.00 117.35 110.61 1iyg s TYR 54 Ca -0.07 1.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.98 1iyg s TYR 54 Cb 0.18 -2.92 -0.14 0.00 -0.40 0.00 0.00 41.96 38.68 1iyg s TYR 54 CO 0.73 -1.24 -0.27 0.09 -1.57 0.00 0.00 175.55 173.28 1iyg n ASN 55 N -2.89 1.96 -0.38 2.29 3.02 -1.26 -3.99 115.26 114.01 1iyg n ASN 55 Ca 0.08 0.21 0.33 0.00 -0.03 0.00 0.00 54.58 55.18 1iyg n ASN 55 Cb 0.53 -0.72 0.67 0.00 -0.61 0.00 0.00 39.78 39.65 1iyg n ASN 55 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1iyg h GLU 56 N -0.70 0.13 0.01 3.52 4.11 -1.97 0.44 114.58 120.12 1iyg h GLU 56 Ca -0.65 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 58.77 1iyg h GLU 56 Cb 1.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1iyg h GLU 56 CO -0.31 0.09 -0.01 -0.44 0.07 0.00 0.00 179.01 178.41 1iyg h ASP 57 N 0.13 -0.01 -0.96 3.06 5.19 -1.89 -2.97 116.42 118.98 1iyg h ASP 57 Ca 0.65 -0.55 0.19 0.00 -0.62 0.00 0.00 57.03 56.70 1iyg h ASP 57 Cb 2.23 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.57 1iyg h ASP 57 CO -0.16 0.55 -0.25 -0.38 -3.12 0.00 0.00 179.24 175.88 1iyg n ILE 58 N -4.83 -0.41 -0.02 0.35 5.41 0.15 0.14 119.36 120.15 1iyg n ILE 58 Ca -0.09 2.19 -0.10 0.00 1.00 0.00 0.00 62.75 65.76 1iyg n ILE 58 Cb 0.28 -3.02 -0.04 0.00 -0.71 0.00 0.00 39.64 36.15 1iyg n ILE 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1iyg h ARG 59 N 0.00 0.11 -0.56 0.38 2.43 -1.47 -0.58 114.38 114.69 1iyg h ARG 59 Ca 0.45 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.78 1iyg h ARG 59 Cb 0.69 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1iyg h ARG 59 CO -0.98 0.07 0.51 0.00 -1.51 0.00 0.00 179.97 178.06 1iyg h ARG 60 N 0.11 0.00 0.00 0.20 3.08 0.13 1.43 114.38 119.33 1iyg h ARG 60 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1iyg h ARG 60 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1iyg h ARG 60 CO -0.08 0.00 0.00 0.78 -1.07 0.00 0.00 179.97 179.60 1iyg h GLY 61 N 0.00 0.00 0.02 0.04 0.00 0.57 -3.34 103.07 100.35 1iyg h GLY 61 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1iyg h GLY 61 CO -0.00 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 1iyg h ILE 62 N 0.00 0.00 -0.30 2.60 1.08 0.23 -2.37 117.51 118.75 1iyg h ILE 62 Ca 0.00 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1iyg h ILE 62 Cb 0.80 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.51 1iyg h ILE 62 CO 0.00 0.00 -0.18 0.55 -0.69 0.00 0.00 178.15 177.83 1iyg n VAL 63 N -2.16 -0.21 0.05 1.67 3.14 -1.15 0.34 118.33 120.02 1iyg n VAL 63 Ca -0.00 0.94 -0.14 0.00 -2.96 0.00 0.00 64.34 62.17 1iyg n VAL 63 Cb 0.01 -1.18 -0.08 0.00 -1.06 0.00 0.00 33.84 31.53 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 -1.45 -0.81 6.55 3.38 -1.70 0.75 115.31 122.03 1iyg h LEU 64 Ca 0.05 0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1iyg h LEU 64 Cb 0.12 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1iyg h LEU 64 CO -0.28 -0.49 0.44 -0.07 0.09 0.00 0.00 178.44 178.13 1iyg h LEU 65 N -0.61 0.60 0.00 1.67 3.38 0.28 0.86 115.31 121.49 1iyg h LEU 65 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iyg h LEU 65 Cb 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iyg h LEU 65 CO -0.35 0.33 0.00 -0.62 0.09 0.00 0.00 178.44 177.89 1iyg n GLU 66 N -4.79 0.01 0.03 1.13 1.02 1.04 -1.45 120.64 117.63 1iyg n GLU 66 Ca 0.14 0.25 0.11 0.00 -0.02 0.00 0.00 57.16 57.64 1iyg n GLU 66 Cb 0.31 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.49 0.34 0.01 3.49 1.02 0.29 -3.94 120.64 120.37 1iyg n GLU 67 Ca 0.04 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1iyg n GLU 67 Cb 0.17 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.04 0.33 0.16 -4.62 4.77 -0.53 -3.63 117.00 111.44 1iyg n LEU 68 Ca 0.01 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1iyg n LEU 68 Cb 0.46 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1iyg n LEU 68 CO 0.41 0.02 0.52 -0.07 -1.33 0.00 0.00 177.39 176.93 1iyg h LEU 69 N 0.00 -1.38 -0.63 2.23 -0.00 -1.48 0.54 115.31 114.59 1iyg h LEU 69 Ca 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1iyg h LEU 69 Cb 0.89 0.49 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 1iyg h LEU 69 CO 0.00 -0.55 -0.35 1.55 -0.00 0.00 0.00 178.44 179.09 1iyg h PRO 70 N -0.77 0.00 -0.60 1.13 0.13 -1.77 -2.71 132.00 127.41 1iyg h PRO 70 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1iyg h PRO 70 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1iyg h PRO 70 CO -0.18 0.35 0.00 1.63 -0.23 0.00 0.00 178.00 179.57 1iyg n LYS 71 N -3.35 2.16 -2.45 0.86 5.02 -0.87 -4.87 118.16 114.65 1iyg n LYS 71 Ca 0.01 -1.16 -0.21 0.00 -2.02 0.00 0.00 58.31 54.93 1iyg n LYS 71 Cb 0.56 -1.55 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.56 0.72 0.00 0.72 0.00 0.19 -4.92 105.19 102.46 1iyg n GLY 72 Ca 0.10 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.88 0.00 0.01 1.61 2.88 -1.26 -5.01 113.62 108.96 1iyg n SER 73 Ca 0.15 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1iyg n SER 73 Cb 0.55 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.06 0.00 0.00 -1.46 4.81 -1.26 -4.90 118.16 113.29 1iyg n LYS 74 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1iyg n LYS 74 Cb 0.00 0.00 0.70 0.00 0.02 0.00 0.00 35.03 35.75 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 -2.27 0.63 0.02 1.64 0.28 -1.26 -2.65 120.64 117.03 1iyg n GLU 75 Ca 0.00 0.02 -0.14 0.00 -0.16 0.00 0.00 57.16 56.88 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 0.15 -0.50 3.44 4.39 -1.97 -3.32 114.58 116.76 1iyg h GLU 76 Ca 0.00 -0.26 0.12 0.00 0.34 0.00 0.00 59.36 59.56 1iyg h GLU 76 Cb 0.07 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1iyg h GLU 76 CO 0.00 0.92 0.35 1.96 -1.16 0.00 0.00 179.01 181.07 1iyg h GLN 77 N 0.04 0.16 0.00 2.33 4.20 -1.83 0.28 115.11 120.29 1iyg h GLN 77 Ca -0.28 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1iyg h GLN 77 Cb 2.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.74 1iyg h GLN 77 CO 0.12 0.11 -0.08 0.00 -0.67 0.00 0.00 178.83 178.30 1iyg h ARG 78 N 0.17 0.00 0.00 1.46 -0.00 -1.71 0.11 114.38 114.40 1iyg h ARG 78 Ca 0.24 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.66 1iyg h ARG 78 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.68 1iyg h ARG 78 CO -0.04 0.08 -0.27 -0.44 0.00 0.00 0.00 179.97 179.31 1iyg h ASP 79 N 0.00 0.00 0.00 7.04 3.32 -0.63 -3.09 116.42 123.07 1iyg h ASP 79 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iyg h ASP 79 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1iyg h ASP 79 CO 0.01 0.27 0.00 -1.22 -1.72 0.00 0.00 179.24 176.58 1iyg n TYR 80 N -3.17 0.00 -0.35 4.55 4.01 0.17 -3.64 117.16 118.73 1iyg n TYR 80 Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.89 1iyg n TYR 80 Cb 0.64 -0.43 0.24 0.00 -0.31 0.00 0.00 39.34 39.47 1iyg n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg n VAL 81 N -1.97 -0.41 -0.34 -0.72 0.31 0.08 0.23 118.33 115.51 1iyg n VAL 81 Ca 0.00 2.19 0.19 0.00 -0.01 0.00 0.00 64.34 66.71 1iyg n VAL 81 Cb 0.00 -3.15 0.40 0.00 -0.91 0.00 0.00 33.84 30.19 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 0.97 0.00 3.52 3.57 -1.70 0.14 116.94 123.44 1iyg h PHE 82 Ca 0.55 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 62.05 1iyg h PHE 82 Cb 1.05 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1iyg h PHE 82 CO -0.59 -0.00 -0.23 1.88 -2.23 0.00 0.00 178.31 177.14 1iyg h TYR 83 N 0.51 0.00 -1.38 0.41 -1.99 0.28 -2.81 116.97 111.99 1iyg h TYR 83 Ca 0.66 0.00 0.44 0.00 2.00 0.00 0.00 58.73 61.83 1iyg h TYR 83 Cb 1.32 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.93 1iyg h TYR 83 CO -0.02 0.90 0.91 -0.07 -0.00 0.00 0.00 178.16 179.89 1iyg h LEU 84 N -1.00 0.21 0.02 3.88 4.07 0.14 1.19 115.31 123.82 1iyg h LEU 84 Ca -0.06 0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1iyg h LEU 84 Cb 0.89 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1iyg h LEU 84 CO -0.04 -0.15 -0.20 0.00 -1.08 0.00 0.00 178.44 176.97 1iyg h ALA 85 N 1.53 0.00 -0.30 1.53 0.00 -1.09 -1.09 119.26 119.84 1iyg h ALA 85 Ca 0.82 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1iyg h ALA 85 Cb 2.68 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 20.42 1iyg h ALA 85 CO -0.36 0.06 -0.13 0.28 0.00 0.00 0.00 179.25 179.11 1iyg h VAL 86 N -0.69 0.59 0.50 0.00 2.07 0.14 0.34 116.25 119.20 1iyg h VAL 86 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1iyg h VAL 86 Cb 1.04 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1iyg h VAL 86 CO 0.04 0.00 -0.24 1.23 0.02 0.00 0.00 177.57 178.62 1iyg h GLY 87 N -0.08 -0.70 -0.92 2.17 0.00 0.14 -2.57 103.07 101.11 1iyg h GLY 87 Ca 0.15 0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.90 1iyg h GLY 87 CO -0.35 -0.25 -0.35 3.43 0.00 0.00 0.00 176.54 179.01 1iyg h ASN 88 N -0.79 -1.29 -0.26 0.19 2.35 -1.07 0.23 115.58 114.94 1iyg h ASN 88 Ca -0.07 0.30 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1iyg h ASN 88 Cb 0.51 0.71 -0.05 0.00 0.05 0.00 0.00 38.32 39.53 1iyg h ASN 88 CO 0.11 -0.30 -0.37 0.22 -1.65 0.00 0.00 177.43 175.45 1iyg h TYR 89 N -0.02 -1.12 -0.40 1.19 3.20 -0.26 1.37 116.97 120.93 1iyg h TYR 89 Ca 0.36 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.40 1iyg h TYR 89 Cb 0.62 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1iyg h TYR 89 CO -0.82 -0.32 0.36 -0.09 -1.64 0.00 0.00 178.16 175.65 1iyg h ARG 90 N -0.26 0.00 -0.12 1.82 1.12 -0.52 1.53 114.38 117.95 1iyg h ARG 90 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1iyg h ARG 90 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 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 -4.00 0.80 -0.78 3.80 7.94 0.16 -4.84 117.00 120.09 1iyg n LEU 91 Ca 0.07 -0.37 -0.07 0.00 -1.11 0.00 0.00 56.01 54.53 1iyg n LEU 91 Cb 0.55 -0.08 -0.01 0.00 0.53 0.00 0.00 43.42 44.41 1iyg n LEU 91 CO 0.31 0.18 -0.09 0.29 -1.11 0.00 0.00 177.39 176.98 1iyg n LYS 92 N -0.16 -0.56 -3.46 1.96 5.02 0.52 -4.97 118.16 116.51 1iyg n LYS 92 Ca 0.10 0.41 -0.37 0.00 -2.02 0.00 0.00 58.31 56.43 1iyg n LYS 92 Cb 0.16 -4.29 -0.05 0.00 -0.02 0.00 0.00 35.03 30.83 1iyg n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyg n GLU 93 N -1.86 3.06 0.13 1.97 -0.58 0.42 -4.87 120.64 118.91 1iyg n GLU 93 Ca -0.08 -4.52 -0.06 0.00 -0.42 0.00 0.00 57.16 52.07 1iyg n GLU 93 Cb 0.51 -2.42 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 1iyg n GLU 93 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1iyg h TYR 94 N 5.68 -0.37 -0.59 -0.32 0.05 -1.84 -1.48 116.97 118.11 1iyg h TYR 94 Ca 0.18 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.00 1iyg h TYR 94 Cb 0.76 0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.55 1iyg h TYR 94 CO 0.78 -0.23 -0.35 0.39 -1.05 0.00 0.00 178.16 177.70 1iyg n GLU 95 N -4.64 -0.26 0.34 4.88 -0.58 -1.26 0.15 120.64 119.27 1iyg n GLU 95 Ca -0.05 1.07 -0.17 0.00 -0.42 0.00 0.00 57.16 57.59 1iyg n GLU 95 Cb 0.16 -1.58 -0.09 0.00 -0.57 0.00 0.00 31.44 29.36 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 -0.87 -0.90 3.49 1.57 -1.98 0.10 116.57 117.98 1iyg h LYS 96 Ca 0.09 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 1iyg h LYS 96 Cb 0.24 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.62 1iyg h LYS 96 CO -0.55 -0.58 -0.52 0.00 -0.57 0.00 0.00 179.45 177.23 1iyg h ALA 97 N -0.56 -0.38 0.24 3.86 0.00 0.47 0.39 119.26 123.27 1iyg h ALA 97 Ca -0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iyg h ALA 97 Cb 0.73 1.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1iyg h ALA 97 CO 0.08 -0.88 -0.31 -0.07 0.00 0.00 0.00 179.25 178.07 1iyg h LEU 98 N -0.06 -0.87 -1.81 0.00 -0.00 0.16 1.53 115.31 114.26 1iyg h LEU 98 Ca 0.20 0.08 0.52 0.00 -0.00 0.00 0.00 57.88 58.67 1iyg h LEU 98 Cb 0.49 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 41.37 1iyg h LEU 98 CO -0.89 -0.38 1.38 0.11 -0.00 0.00 0.00 178.44 178.65 1iyg h LYS 99 N -0.57 0.00 0.12 1.13 1.57 0.69 2.79 116.57 122.30 1iyg h LYS 99 Ca -0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 1iyg h LYS 99 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1iyg h LYS 99 CO -0.07 0.00 -1.75 1.88 -0.57 0.00 0.00 179.45 178.93 1iyg h TYR 100 N 0.00 0.45 0.11 -1.35 0.05 0.21 -3.04 116.97 113.41 1iyg h TYR 100 Ca 0.85 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 59.29 1iyg h TYR 100 Cb 3.59 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 41.31 1iyg h TYR 100 CO 0.00 1.69 -0.05 0.28 -1.05 0.00 0.00 178.16 179.03 1iyg h VAL 101 N -0.13 1.01 -0.31 -2.88 2.07 1.35 0.34 116.25 117.70 1iyg h VAL 101 Ca -0.38 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 65.92 1iyg h VAL 101 Cb 1.90 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 33.33 1iyg h VAL 101 CO 0.06 0.27 -0.06 0.03 0.02 0.00 0.00 177.57 177.89 1iyg h ARG 102 N -0.83 0.01 -0.27 1.57 3.08 0.39 0.95 114.38 119.29 1iyg h ARG 102 Ca -0.02 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1iyg h ARG 102 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1iyg h ARG 102 CO 0.03 0.01 -0.16 0.78 -1.07 0.00 0.00 179.97 179.56 1iyg h GLY 103 N 0.01 0.49 1.20 0.04 0.00 -1.60 -2.62 103.07 100.60 1iyg h GLY 103 Ca 0.15 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1iyg h GLY 103 CO -0.30 0.32 -0.45 -2.00 0.00 0.00 0.00 176.54 174.11 1iyg h LEU 104 N 0.42 0.93 -1.85 3.11 5.85 0.49 -2.63 115.31 121.63 1iyg h LEU 104 Ca 0.08 -0.45 0.19 0.00 0.84 0.00 0.00 57.88 58.53 1iyg h LEU 104 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1iyg h LEU 104 CO 0.03 1.23 0.63 -0.07 -0.34 0.00 0.00 178.44 179.93 1iyg h LEU 105 N 0.69 0.00 -1.79 2.25 3.38 0.13 1.96 115.31 121.92 1iyg h LEU 105 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1iyg h LEU 105 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1iyg h LEU 105 CO 0.10 0.00 -0.12 -0.61 0.09 0.00 0.00 178.44 177.90 1iyg h GLN 106 N 0.00 0.00 0.00 1.13 -0.00 -1.46 -1.92 115.11 112.87 1iyg h GLN 106 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 1iyg h GLN 106 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.04 1iyg h GLN 106 CO -0.00 0.12 -0.20 -2.37 0.00 0.00 0.00 178.83 176.38 1iyg n THR 107 N -3.52 0.00 -3.16 2.39 5.66 0.57 -4.75 114.28 111.47 1iyg n THR 107 Ca -0.01 -0.41 -0.22 0.00 -3.05 0.00 0.00 64.05 60.36 1iyg n THR 107 Cb 0.27 0.97 -0.05 0.00 -1.55 0.00 0.00 70.33 69.97 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 -1.10 1.52 0.01 1.09 -0.58 0.39 -4.91 120.64 117.06 1iyg n GLU 108 Ca 0.01 -3.77 -0.18 0.00 -0.42 0.00 0.00 57.16 52.80 1iyg n GLU 108 Cb 0.05 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.06 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 3.32 0.61 0.00 3.49 0.13 -1.59 -3.03 132.00 134.93 1iyg h PRO 109 Ca 0.11 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1iyg h PRO 109 Cb 0.83 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1iyg h PRO 109 CO 0.59 1.21 0.00 0.00 -0.23 0.00 0.00 178.00 179.57 1iyg n GLN 110 N -4.03 0.09 -2.41 0.86 10.64 -1.26 -4.24 117.38 117.02 1iyg n GLN 110 Ca -0.10 0.14 -0.43 0.00 -1.83 0.00 0.00 57.00 54.79 1iyg n GLN 110 Cb 0.75 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 1iyg n GLN 110 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1iyg n ASN 111 N -1.43 4.76 -0.44 2.61 5.15 -1.15 -4.77 115.26 119.99 1iyg n ASN 111 Ca 0.06 -2.94 0.37 0.00 -0.60 0.00 0.00 54.58 51.47 1iyg n ASN 111 Cb 0.21 -1.65 0.65 0.00 -0.53 0.00 0.00 39.78 38.46 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 6.80 0.24 -1.07 1.20 4.21 -1.84 1.51 115.58 126.63 1iyg h ASN 112 Ca 0.44 0.13 0.29 0.00 1.21 0.00 0.00 56.30 58.38 1iyg h ASN 112 Cb 0.78 0.12 -0.11 0.00 -1.12 0.00 0.00 38.32 37.99 1iyg h ASN 112 CO 1.55 -0.18 0.67 1.56 -1.29 0.00 0.00 177.43 179.74 1iyg h GLN 113 N 0.09 0.36 0.09 0.81 7.50 -1.93 0.98 115.11 123.01 1iyg h GLN 113 Ca 0.82 -0.02 -0.28 0.00 0.50 0.00 0.00 58.65 59.66 1iyg h GLN 113 Cb 2.56 -0.08 0.02 0.00 0.05 0.00 0.00 27.48 30.03 1iyg h GLN 113 CO -0.41 0.24 -1.17 0.00 -1.50 0.00 0.00 178.83 175.99 1iyg h ALA 114 N 1.66 0.08 0.28 3.87 0.00 0.18 -2.19 119.26 123.15 1iyg h ALA 114 Ca 0.65 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iyg h ALA 114 Cb 1.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1iyg h ALA 114 CO -0.38 0.74 -0.13 0.87 0.00 0.00 0.00 179.25 180.34 1iyg h LYS 115 N 0.27 -0.36 0.40 0.00 1.57 0.48 -2.27 116.57 116.66 1iyg h LYS 115 Ca -0.16 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1iyg h LYS 115 Cb 1.84 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1iyg h LYS 115 CO 0.22 -0.18 -0.35 0.93 -0.57 0.00 0.00 179.45 179.50 1iyg h GLU 116 N -0.45 -0.73 -0.91 3.15 5.08 0.54 -2.85 114.58 118.41 1iyg h GLU 116 Ca -0.04 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1iyg h GLU 116 Cb 0.34 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1iyg h GLU 116 CO 0.06 -0.49 -0.54 -0.11 -1.00 0.00 0.00 179.01 176.94 1iyg n LEU 117 N -5.46 -0.96 -0.34 1.33 0.00 -0.82 0.84 117.00 111.58 1iyg n LEU 117 Ca -0.10 1.66 0.00 0.00 0.00 0.00 0.00 56.01 57.57 1iyg n LEU 117 Cb 0.36 -0.23 0.06 0.00 0.00 0.00 0.00 43.42 43.61 1iyg n LEU 117 CO 0.29 -1.34 0.53 1.21 0.00 0.00 0.00 177.39 178.09 1iyg n GLU 118 N -5.09 -0.18 -0.08 1.96 0.00 -0.86 0.19 120.64 116.58 1iyg n GLU 118 Ca 0.02 1.37 -0.09 0.00 0.00 0.00 0.00 57.16 58.46 1iyg n GLU 118 Cb 0.24 -2.04 0.06 0.00 0.00 0.00 0.00 31.44 29.70 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 0.78 0.34 5.31 3.08 0.23 0.13 114.38 124.24 1iyg h ARG 119 Ca 0.33 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1iyg h ARG 119 Cb 0.56 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1iyg h ARG 119 CO -0.89 0.97 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.61 1iyg h LEU 120 N 0.66 -0.80 0.02 3.04 3.38 0.85 -0.69 115.31 121.77 1iyg h LEU 120 Ca 0.08 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iyg h LEU 120 Cb 0.83 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1iyg h LEU 120 CO 0.07 -0.44 -0.01 0.40 0.09 0.00 0.00 178.44 178.55 1iyg h ILE 121 N -0.65 1.09 -0.99 1.22 2.04 0.49 -1.74 117.51 118.97 1iyg h ILE 121 Ca -0.02 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1iyg h ILE 121 Cb 0.58 1.33 -0.13 0.00 -0.74 0.00 0.00 36.82 37.86 1iyg h ILE 121 CO -0.04 0.09 -0.55 -0.67 0.00 0.00 0.00 178.15 176.98 1iyg n ASP 122 N -5.03 -0.98 -0.22 1.72 -0.08 0.43 0.12 116.55 112.51 1iyg n ASP 122 Ca -0.08 1.76 -0.01 0.00 -1.51 0.00 0.00 54.79 54.95 1iyg n ASP 122 Cb 0.11 -0.26 0.10 0.00 2.34 0.00 0.00 41.12 43.41 1iyg n ASP 122 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1iyg h LYS 123 N 0.00 0.61 -0.56 -0.67 1.57 -1.01 -1.74 116.57 114.77 1iyg h LYS 123 Ca 0.19 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 1iyg h LYS 123 Cb 0.44 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.50 1iyg h LYS 123 CO -0.94 0.40 -0.25 0.00 -0.57 0.00 0.00 179.45 178.09 1iyg h ALA 124 N 1.35 0.13 -0.58 3.86 0.00 0.19 0.53 119.26 124.75 1iyg h ALA 124 Ca 0.30 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.49 1iyg h ALA 124 Cb 0.22 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1iyg h ALA 124 CO -0.20 -0.58 -0.38 0.52 0.00 0.00 0.00 179.25 178.61 1iyg h MET 125 N -0.11 -0.19 -0.39 0.00 2.86 0.17 0.44 114.93 117.70 1iyg h MET 125 Ca 0.25 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1iyg h MET 125 Cb 0.51 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1iyg h MET 125 CO -0.63 -0.13 0.05 0.87 1.06 0.00 0.00 176.91 178.13 1iyg h LYS 126 N -0.20 0.60 -4.99 1.72 1.79 -0.98 -3.32 116.57 111.18 1iyg h LYS 126 Ca 0.21 -0.12 -0.52 0.00 -2.18 0.00 0.00 60.65 58.04 1iyg h LYS 126 Cb 0.56 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1iyg h LYS 126 CO -0.68 0.59 1.80 1.63 -1.08 0.00 0.00 179.45 181.71 1iyg n LYS 127 N -4.29 1.75 -3.82 3.15 5.02 0.17 -4.73 118.16 115.42 1iyg n LYS 127 Ca 0.02 -2.27 0.02 0.00 -2.02 0.00 0.00 58.31 54.06 1iyg n LYS 127 Cb 0.23 -3.34 0.01 0.00 -0.02 0.00 0.00 35.03 31.91 1iyg n LYS 127 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iyg s SER 128 N 5.48 -0.02 1.22 4.39 0.01 -1.25 -4.87 113.70 118.66 1iyg s SER 128 Ca 0.61 -0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 1iyg s SER 128 Cb 0.07 0.18 0.29 0.00 0.21 0.00 0.00 66.02 66.78 1iyg s SER 128 CO 0.11 -0.36 1.07 -0.83 0.41 0.00 0.00 173.24 173.65 1iyg s GLY 129 N -3.40 1.55 0.40 3.44 0.00 -1.26 -4.99 107.32 103.05 1iyg s GLY 129 Ca 0.22 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 1iyg s GLY 129 CO -0.02 0.04 1.05 2.56 0.00 0.00 0.00 173.10 176.74 1iyg s PRO 130 N -5.26 4.17 -0.25 2.90 0.04 -1.26 -5.04 135.00 130.30 1iyg s PRO 130 Ca 0.70 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 1iyg s PRO 130 Cb -0.12 -2.56 0.17 0.00 0.04 0.00 0.00 34.50 32.03 1iyg s PRO 130 CO 0.57 -0.14 1.23 0.45 0.04 0.00 0.00 177.00 179.14 1iyg s SER 131 N -1.54 -0.18 0.04 6.66 0.15 -1.26 -5.19 113.70 112.38 1iyg s SER 131 Ca 0.58 0.24 -0.27 0.00 0.70 0.00 0.00 55.95 57.19 1iyg s SER 131 Cb -0.22 0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1iyg s SER 131 CO 0.28 -0.14 0.78 -0.44 1.20 0.00 0.00 173.24 174.92 1iyg s SER 132 N -0.79 -0.46 0.00 5.45 0.01 -1.26 -5.24 113.70 111.42 1iyg s SER 132 Ca 0.05 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1iyg s SER 132 Cb -0.02 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1iyg s SER 132 CO -0.06 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.48