#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 5.01 0.00 1.61 0.01 -1.26 -4.99 113.70 114.08 1iyg s SER 2 Ca 0.00 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1iyg s SER 2 Cb 0.00 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1iyg s SER 2 CO 0.00 -0.35 0.00 -0.24 0.41 0.00 0.00 173.24 173.06 1iyg n SER 3 N 4.61 0.00 -3.28 2.44 2.88 -1.26 -5.03 113.62 113.98 1iyg n SER 3 Ca -0.09 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 1iyg n SER 3 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1iyg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 4 N 0.00 -1.25 0.36 0.46 0.00 -1.26 -4.84 105.19 98.65 1iyg n GLY 4 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.54 1iyg n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iyg h SER 5 N 0.16 -1.12 -2.92 1.61 0.87 -1.96 -3.29 113.55 106.90 1iyg h SER 5 Ca -0.20 0.28 -0.56 0.00 -1.23 0.00 0.00 61.79 60.08 1iyg h SER 5 Cb 1.12 0.65 -0.40 0.00 -0.44 0.00 0.00 62.40 63.33 1iyg h SER 5 CO 0.33 -0.30 -0.78 -0.44 -0.53 0.00 0.00 176.83 175.11 1iyg s SER 6 N -5.28 3.62 0.00 6.23 0.01 -1.26 -5.10 113.70 111.91 1iyg s SER 6 Ca -0.14 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.48 1iyg s SER 6 Cb 0.22 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1iyg s SER 6 CO 0.74 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1iyg n GLY 7 N 4.81 -2.07 0.61 3.44 0.00 -1.24 -4.84 105.19 105.90 1iyg n GLY 7 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 0.26 0.16 1.61 1.56 -1.26 -3.98 117.12 115.47 1iyg n MET 8 Ca 0.00 0.11 0.11 0.00 -0.27 0.00 0.00 57.70 57.65 1iyg n MET 8 Cb 0.00 -0.94 0.57 0.00 2.15 0.00 0.00 33.22 34.99 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 -3.66 0.13 -0.04 2.12 2.13 -1.26 -1.07 120.64 118.99 1iyg n GLU 9 Ca -0.20 0.63 -0.21 0.00 0.66 0.00 0.00 57.16 58.04 1iyg n GLU 9 Cb 0.56 -1.95 -0.13 0.00 0.27 0.00 0.00 31.44 30.19 1iyg n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iyg n ALA 10 N -1.77 1.03 -0.25 4.31 0.00 -1.26 -2.44 120.51 120.13 1iyg n ALA 10 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 53.44 52.70 1iyg n ALA 10 Cb 0.04 -0.50 0.21 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.03 1.21 0.15 0.00 2.07 -1.23 1.35 116.25 119.78 1iyg h VAL 11 Ca -0.47 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 66.36 1iyg h VAL 11 Cb 1.95 0.02 0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1iyg h VAL 11 CO 0.01 0.20 -1.29 -0.07 0.02 0.00 0.00 177.57 176.45 1iyg h LEU 12 N 1.10 0.80 -0.78 2.57 3.38 -1.36 -3.25 115.31 117.77 1iyg h LEU 12 Ca 0.30 -0.77 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1iyg h LEU 12 Cb -0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1iyg h LEU 12 CO -0.06 1.59 -0.03 0.78 0.09 0.00 0.00 178.44 180.80 1iyg h ASN 13 N 0.22 0.87 -3.42 -0.43 -0.26 -1.04 -3.41 115.58 108.10 1iyg h ASN 13 Ca -0.19 -0.24 -0.54 0.00 -0.56 0.00 0.00 56.30 54.77 1iyg h ASN 13 Cb 1.97 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 38.98 1iyg h ASN 13 CO 0.24 0.95 0.38 -0.70 -1.06 0.00 0.00 177.43 177.23 1iyg s GLU 14 N -4.95 4.57 0.49 0.81 2.12 0.46 -5.04 118.70 117.16 1iyg s GLU 14 Ca -0.10 1.44 0.04 0.00 0.36 0.00 0.00 54.97 56.70 1iyg s GLU 14 Cb 0.14 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1iyg s GLU 14 CO 0.83 -0.02 0.13 -0.48 -0.54 0.00 0.00 175.26 175.18 1iyg s LEU 15 N 0.87 2.58 0.70 2.70 0.05 -1.26 -4.81 118.68 119.51 1iyg s LEU 15 Ca 0.52 -1.44 -0.02 0.00 0.05 0.00 0.00 54.13 53.24 1iyg s LEU 15 Cb -0.22 -0.97 0.11 0.00 -2.05 0.00 0.00 46.19 43.06 1iyg s LEU 15 CO 0.28 -0.82 0.97 0.54 -0.55 0.00 0.00 176.35 176.78 1iyg s VAL 16 N -2.79 2.24 0.10 1.48 0.11 0.17 -4.85 120.40 116.85 1iyg s VAL 16 Ca 0.21 -0.54 0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1iyg s VAL 16 Cb 0.02 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 1iyg s VAL 16 CO 0.12 0.00 -0.27 -0.44 -3.33 0.00 0.00 175.10 171.18 1iyg s SER 17 N -4.67 3.25 0.24 3.54 0.01 -1.26 -4.23 113.70 110.58 1iyg s SER 17 Ca 0.64 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 1iyg s SER 17 Cb -0.07 -0.24 0.43 0.00 0.21 0.00 0.00 66.02 66.35 1iyg s SER 17 CO 0.44 0.21 1.69 0.58 0.41 0.00 0.00 173.24 176.57 1iyg h VAL 18 N 4.01 0.55 0.15 3.43 2.07 -1.99 0.89 116.25 125.35 1iyg h VAL 18 Ca -0.49 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1iyg h VAL 18 Cb 1.16 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1iyg h VAL 18 CO 0.41 0.05 -0.22 -0.08 0.02 0.00 0.00 177.57 177.75 1iyg h GLU 19 N 0.28 -0.42 0.49 1.57 4.81 -1.98 0.38 114.58 119.72 1iyg h GLU 19 Ca 0.40 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1iyg h GLU 19 Cb 0.66 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1iyg h GLU 19 CO -0.48 -0.28 -0.25 0.22 -0.73 0.00 0.00 179.01 177.49 1iyg h ASP 20 N -0.43 -0.61 -0.83 1.04 3.58 -1.53 0.81 116.42 118.45 1iyg h ASP 20 Ca 0.02 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.70 1iyg h ASP 20 Cb 0.44 0.16 -0.12 0.00 1.72 0.00 0.00 39.33 41.53 1iyg h ASP 20 CO -0.10 -0.42 0.26 0.25 -2.88 0.00 0.00 179.24 176.35 1iyg h LEU 21 N -0.69 0.10 0.27 2.28 7.12 0.92 0.74 115.31 126.07 1iyg h LEU 21 Ca -0.06 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1iyg h LEU 21 Cb 0.54 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1iyg h LEU 21 CO 0.10 -0.06 -0.13 0.11 -0.13 0.00 0.00 178.44 178.32 1iyg h LYS 22 N 0.29 -0.35 -1.62 1.25 1.79 0.31 1.52 116.57 119.77 1iyg h LYS 22 Ca 0.50 0.02 0.47 0.00 -2.18 0.00 0.00 60.65 59.47 1iyg h LYS 22 Cb 0.94 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.60 1iyg h LYS 22 CO -0.56 -0.02 1.16 -0.91 -1.08 0.00 0.00 179.45 178.04 1iyg h ASN 23 N -0.74 0.02 0.00 0.86 2.35 0.24 0.23 115.58 118.54 1iyg h ASN 23 Ca -0.04 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1iyg h ASN 23 Cb 0.50 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1iyg h ASN 23 CO 0.06 -0.01 -1.20 0.49 -1.65 0.00 0.00 177.43 175.13 1iyg n PHE 24 N -4.09 0.55 -0.31 1.19 3.01 0.08 -3.66 117.46 114.23 1iyg n PHE 24 Ca 0.36 0.24 0.34 0.00 1.01 0.00 0.00 57.45 59.41 1iyg n PHE 24 Cb 1.67 -0.83 0.62 0.00 -0.01 0.00 0.00 39.48 40.93 1iyg n PHE 24 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1iyg h GLU 25 N -1.00 0.00 0.01 -1.08 4.81 0.36 0.79 114.58 118.46 1iyg h GLU 25 Ca -0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1iyg h GLU 25 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1iyg h GLU 25 CO -0.13 0.00 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.05 1iyg h ARG 26 N 0.00 -0.01 -0.29 1.92 2.43 -0.78 -1.65 114.38 116.00 1iyg h ARG 26 Ca 0.57 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.80 1iyg h ARG 26 Cb 2.80 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 32.29 1iyg h ARG 26 CO -0.01 0.79 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.88 1iyg h LYS 27 N -0.96 -0.10 0.22 0.20 1.63 0.41 1.38 116.57 119.35 1iyg h LYS 27 Ca -0.00 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1iyg h LYS 27 Cb 0.80 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1iyg h LYS 27 CO 0.00 -0.06 -0.10 0.35 -3.45 0.00 0.00 179.45 176.18 1iyg h PHE 28 N -0.10 -0.27 -0.62 1.91 3.57 -1.09 -1.87 116.94 118.47 1iyg h PHE 28 Ca 0.15 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.77 1iyg h PHE 28 Cb 0.33 0.09 -0.12 0.00 2.79 0.00 0.00 35.95 39.04 1iyg h PHE 28 CO -0.33 -0.17 -0.17 1.96 -2.23 0.00 0.00 178.31 177.37 1iyg h GLN 29 N -0.32 -0.02 -0.97 1.11 4.20 -1.22 1.85 115.11 119.74 1iyg h GLN 29 Ca -0.03 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.92 1iyg h GLN 29 Cb 0.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 1iyg h GLN 29 CO 0.05 -0.01 0.64 1.03 -0.67 0.00 0.00 178.83 179.87 1iyg h SER 30 N -0.02 0.38 0.78 1.46 0.87 0.19 0.85 113.55 118.06 1iyg h SER 30 Ca 0.30 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.80 1iyg h SER 30 Cb 0.47 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1iyg h SER 30 CO -0.65 0.12 -1.29 -0.62 -0.53 0.00 0.00 176.83 173.86 1iyg n GLU 31 N -4.52 0.62 0.13 2.24 -0.58 0.25 -3.09 120.64 115.68 1iyg n GLU 31 Ca 0.22 0.17 -0.07 0.00 -0.42 0.00 0.00 57.16 57.06 1iyg n GLU 31 Cb 0.81 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 1iyg n GLU 31 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1iyg h GLN 32 N 0.00 -0.39 0.00 3.49 4.15 0.75 -2.24 115.11 120.87 1iyg h GLN 32 Ca -0.11 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1iyg h GLN 32 Cb 1.37 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.15 1iyg h GLN 32 CO 0.03 -0.23 0.00 0.00 -1.93 0.00 0.00 178.83 176.70 1iyg n ALA 33 N -2.73 1.42 0.22 3.38 0.00 0.24 -1.21 120.51 121.83 1iyg n ALA 33 Ca -0.05 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1iyg n ALA 33 Cb 0.18 -1.28 0.49 0.00 0.00 0.00 0.00 19.45 18.84 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 2.22 1.13 0.00 0.00 0.00 -1.51 -3.46 119.26 117.64 1iyg h ALA 34 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1iyg h ALA 34 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iyg h ALA 34 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1iyg n GLY 35 N -0.15 1.47 0.00 0.00 0.00 -0.35 -5.07 105.19 101.09 1iyg n GLY 35 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.06 1.61 3.41 -0.86 -5.02 113.62 108.69 1iyg n SER 36 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1iyg n SER 36 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1iyg n SER 36 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iyg s VAL 37 N -1.28 0.51 0.84 -3.33 0.11 -1.12 -4.39 120.40 111.73 1iyg s VAL 37 Ca 0.00 -1.16 -0.11 0.00 -2.93 0.00 0.00 61.98 57.78 1iyg s VAL 37 Cb 0.00 -0.69 0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1iyg s VAL 37 CO 0.00 -0.45 1.09 -0.44 -3.33 0.00 0.00 175.10 171.97 1iyg s SER 38 N -1.73 3.98 0.15 3.54 0.01 -1.26 -4.95 113.70 113.44 1iyg s SER 38 Ca -0.08 1.58 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 1iyg s SER 38 Cb -0.08 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1iyg s SER 38 CO -0.00 -2.33 1.48 0.07 0.41 0.00 0.00 173.24 172.87 1iyg h LYS 39 N -1.33 0.88 0.00 12.44 2.10 -1.98 -2.93 116.57 125.74 1iyg h LYS 39 Ca -0.47 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 57.70 1iyg h LYS 39 Cb 1.26 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1iyg h LYS 39 CO 0.54 1.12 0.00 -1.13 -2.00 0.00 0.00 179.45 177.98 1iyg n SER 40 N -4.04 0.00 -0.26 7.07 3.41 -1.26 0.21 113.62 118.74 1iyg n SER 40 Ca -0.02 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1iyg n SER 40 Cb 0.56 -0.18 0.18 0.00 -0.26 0.00 0.00 64.21 64.50 1iyg n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iyg h THR 41 N 0.00 0.41 0.16 6.66 2.02 -1.97 0.21 112.91 120.40 1iyg h THR 41 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1iyg h THR 41 Cb 0.00 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1iyg h THR 41 CO 0.00 0.03 -0.48 -0.61 0.37 0.00 0.00 175.52 174.84 1iyg h GLN 42 N 0.18 -0.71 -0.74 6.66 4.15 -0.93 0.32 115.11 124.04 1iyg h GLN 42 Ca 0.43 0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.98 1iyg h GLN 42 Cb 0.76 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.55 1iyg h GLN 42 CO -0.59 -0.48 0.40 0.35 -1.93 0.00 0.00 178.83 176.58 1iyg h PHE 43 N -0.74 0.73 0.00 3.99 3.57 0.37 0.25 116.94 125.11 1iyg h PHE 43 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iyg h PHE 43 Cb 0.74 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1iyg h PHE 43 CO -0.39 0.30 0.00 0.39 -2.23 0.00 0.00 178.31 176.38 1iyg n GLU 44 N -4.79 0.00 -0.34 1.11 1.02 0.59 -0.17 120.64 118.06 1iyg n GLU 44 Ca 0.11 0.51 0.25 0.00 -0.02 0.00 0.00 57.16 58.02 1iyg n GLU 44 Cb 0.24 -1.47 0.50 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.88 0.69 -0.32 3.20 -0.32 0.59 116.97 121.69 1iyg h TYR 45 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1iyg h TYR 45 Cb 0.00 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.04 1iyg h TYR 45 CO 0.13 -0.18 -0.33 0.00 -1.64 0.00 0.00 178.16 176.14 1iyg h ALA 46 N 1.83 -0.93 -0.22 1.82 0.00 -0.71 0.23 119.26 121.28 1iyg h ALA 46 Ca 0.74 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.50 1iyg h ALA 46 Cb 1.77 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1iyg h ALA 46 CO -0.59 -0.97 0.21 2.35 0.00 0.00 0.00 179.25 180.25 1iyg h TRP 47 N -1.02 0.00 -0.16 0.00 2.91 0.25 0.19 115.95 118.11 1iyg h TRP 47 Ca -0.09 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.87 1iyg h TRP 47 Cb 0.73 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1iyg h TRP 47 CO -0.01 0.00 -0.14 0.00 -1.03 0.00 0.00 178.44 177.26 1iyg h LEU 49 N 0.02 -0.57 -0.92 0.00 3.38 0.25 0.13 115.31 117.60 1iyg h LEU 49 Ca 0.03 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.27 1iyg h LEU 49 Cb 0.65 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1iyg h LEU 49 CO 0.03 -0.21 -0.09 -0.37 0.09 0.00 0.00 178.44 177.90 1iyg h VAL 50 N -0.30 0.10 -0.95 1.22 -1.51 -1.49 1.78 116.25 115.10 1iyg h VAL 50 Ca -0.01 -0.01 0.11 0.00 -1.23 0.00 0.00 66.70 65.56 1iyg h VAL 50 Cb 0.29 0.08 -0.07 0.00 -2.13 0.00 0.00 31.29 29.45 1iyg h VAL 50 CO -0.09 0.00 0.61 0.03 -1.23 0.00 0.00 177.57 176.90 1iyg h ARG 51 N 0.02 0.92 -5.64 5.19 3.08 -0.76 -3.44 114.38 113.75 1iyg h ARG 51 Ca 0.50 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.96 1iyg h ARG 51 Cb 0.90 -0.21 0.21 0.00 0.08 0.00 0.00 29.97 30.95 1iyg h ARG 51 CO -0.89 0.61 -1.58 0.45 -1.07 0.00 0.00 179.97 177.49 1iyg n SER 52 N -4.56 -5.10 0.22 7.04 2.88 0.61 -0.65 113.62 114.05 1iyg n SER 52 Ca 0.17 0.29 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 1iyg n SER 52 Cb 0.33 -0.74 0.26 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.69 0.00 -7.51 -1.46 5.09 -1.83 -3.41 116.57 106.77 1iyg h LYS 53 Ca -0.41 0.00 -0.45 0.00 0.09 0.00 0.00 60.65 59.89 1iyg h LYS 53 Cb 1.26 0.00 0.15 0.00 0.10 0.00 0.00 32.23 33.74 1iyg h LYS 53 CO 0.26 0.00 0.27 0.71 -2.09 0.00 0.00 179.45 178.60 1iyg s TYR 54 N -3.28 1.84 -0.07 0.07 1.51 -1.26 -5.02 117.35 111.14 1iyg s TYR 54 Ca 0.06 0.69 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 1iyg s TYR 54 Cb 0.06 -3.51 -0.05 0.00 -0.11 0.00 0.00 41.96 38.35 1iyg s TYR 54 CO 0.65 -2.84 -0.04 0.09 -1.11 0.00 0.00 175.55 172.30 1iyg n ASN 55 N -4.05 3.51 0.30 2.29 3.02 -1.26 -4.35 115.26 114.72 1iyg n ASN 55 Ca 0.09 -0.03 0.17 0.00 -0.03 0.00 0.00 54.58 54.79 1iyg n ASN 55 Cb 0.59 0.11 0.96 0.00 -0.61 0.00 0.00 39.78 40.83 1iyg n ASN 55 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1iyg h GLU 56 N 0.00 0.00 0.00 3.52 5.08 -1.99 0.25 114.58 121.44 1iyg h GLU 56 Ca -0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.99 1iyg h GLU 56 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1iyg h GLU 56 CO -0.01 0.03 -1.15 -0.44 -1.00 0.00 0.00 179.01 176.43 1iyg h ASP 57 N 0.00 0.00 0.46 1.42 5.19 -1.90 -3.34 116.42 118.26 1iyg h ASP 57 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1iyg h ASP 57 Cb 0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1iyg h ASP 57 CO 0.00 0.91 -0.38 0.40 -3.12 0.00 0.00 179.24 177.05 1iyg h ILE 58 N 0.00 0.22 -0.99 0.35 2.04 -1.14 -0.47 117.51 117.52 1iyg h ILE 58 Ca -0.09 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.07 1iyg h ILE 58 Cb 1.77 0.22 -0.15 0.00 -0.74 0.00 0.00 36.82 37.93 1iyg h ILE 58 CO 0.10 0.00 0.53 0.03 0.00 0.00 0.00 178.15 178.81 1iyg h ARG 59 N -0.84 0.33 0.51 2.37 3.08 -1.65 -0.97 114.38 117.20 1iyg h ARG 59 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1iyg h ARG 59 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1iyg h ARG 59 CO -0.02 0.22 -0.24 0.00 -1.07 0.00 0.00 179.97 178.85 1iyg h ARG 60 N 0.34 -0.66 -1.43 0.04 -0.00 -1.42 -2.42 114.38 108.82 1iyg h ARG 60 Ca 0.70 0.04 0.42 0.00 -0.50 0.00 0.00 59.98 60.64 1iyg h ARG 60 Cb 1.56 0.15 -0.06 0.00 0.00 0.00 0.00 29.97 31.62 1iyg h ARG 60 CO -0.60 -0.44 1.29 0.41 0.00 0.00 0.00 179.97 180.63 1iyg n GLY 61 N -0.79 -0.84 0.07 0.04 0.00 -0.28 -0.08 105.19 103.31 1iyg n GLY 61 Ca -0.08 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 1iyg n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iyg h ILE 62 N 0.00 0.00 -0.80 -0.61 2.04 -1.04 -2.58 117.51 114.52 1iyg h ILE 62 Ca 0.68 -0.26 0.14 0.00 1.00 0.00 0.00 64.86 66.41 1iyg h ILE 62 Cb 3.25 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.19 1iyg h ILE 62 CO -0.01 0.00 -0.27 1.33 0.00 0.00 0.00 178.15 179.20 1iyg n VAL 63 N -3.11 -0.39 0.09 1.67 0.24 0.89 0.27 118.33 117.99 1iyg n VAL 63 Ca -0.02 1.85 -0.08 0.00 -2.04 0.00 0.00 64.34 64.05 1iyg n VAL 63 Cb 0.06 -2.49 -0.05 0.00 -1.47 0.00 0.00 33.84 29.89 1iyg n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iyg h LEU 64 N 0.00 -0.71 -1.26 1.34 3.38 -1.47 0.25 115.31 116.84 1iyg h LEU 64 Ca 0.32 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.52 1iyg h LEU 64 Cb 0.51 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1iyg h LEU 64 CO -0.80 -0.28 0.59 -0.07 0.09 0.00 0.00 178.44 177.97 1iyg h LEU 65 N -0.41 0.64 -2.16 1.67 3.38 0.17 1.12 115.31 119.72 1iyg h LEU 65 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iyg h LEU 65 Cb 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1iyg h LEU 65 CO -0.09 0.29 0.00 -0.33 0.09 0.00 0.00 178.44 178.40 1iyg h GLU 66 N 0.66 0.00 0.00 1.13 5.08 0.49 0.11 114.58 122.06 1iyg h GLU 66 Ca 0.49 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.58 1iyg h GLU 66 Cb 0.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1iyg h GLU 66 CO -0.24 0.00 -1.77 0.39 -1.00 0.00 0.00 179.01 176.39 1iyg n GLU 67 N -2.97 0.64 0.10 2.33 1.02 0.37 -3.87 120.64 118.25 1iyg n GLU 67 Ca -0.01 0.21 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1iyg n GLU 67 Cb 0.17 -1.74 0.31 0.00 -0.02 0.00 0.00 31.44 30.15 1iyg n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1iyg h LEU 68 N 0.00 0.00 0.26 -4.62 3.38 0.02 -3.03 115.31 111.33 1iyg h LEU 68 Ca -0.29 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1iyg h LEU 68 Cb 1.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1iyg h LEU 68 CO 0.06 0.03 -0.34 -0.07 0.09 0.00 0.00 178.44 178.22 1iyg h LEU 69 N 0.00 -0.95 -0.64 1.67 -0.00 -0.93 1.22 115.31 115.67 1iyg h LEU 69 Ca 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.89 1iyg h LEU 69 Cb 0.76 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1iyg h LEU 69 CO 0.00 -0.42 -0.33 1.55 -0.00 0.00 0.00 178.44 179.24 1iyg h PRO 70 N -0.62 0.00 -0.72 1.13 0.13 -1.77 -2.77 132.00 127.38 1iyg h PRO 70 Ca -0.03 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 1iyg h PRO 70 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1iyg h PRO 70 CO -0.08 0.33 0.06 1.63 -0.23 0.00 0.00 178.00 179.71 1iyg n LYS 71 N -3.34 3.71 -2.65 0.86 5.02 -1.02 -4.92 118.16 115.82 1iyg n LYS 71 Ca 0.01 -2.37 -0.22 0.00 -2.02 0.00 0.00 58.31 53.71 1iyg n LYS 71 Cb 0.55 -2.06 0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.60 1.80 0.00 0.72 0.00 0.42 -4.85 107.32 104.80 1iyg s GLY 72 Ca 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1iyg s GLY 72 CO 0.12 -1.12 0.00 1.44 0.00 0.00 0.00 173.10 173.54 1iyg n SER 73 N -2.48 0.00 0.17 1.64 7.64 -1.26 -4.97 113.62 114.36 1iyg n SER 73 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1iyg n SER 73 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1iyg n SER 73 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1iyg n LYS 74 N -0.86 0.00 0.00 1.43 4.81 -1.26 -4.88 118.16 117.40 1iyg n LYS 74 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1iyg n LYS 74 Cb 0.00 0.00 0.89 0.00 0.02 0.00 0.00 35.03 35.94 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 -3.23 0.91 0.03 1.64 0.28 -1.26 -2.75 120.64 116.26 1iyg n GLU 75 Ca 0.00 -0.04 0.11 0.00 -0.16 0.00 0.00 57.16 57.07 1iyg n GLU 75 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 1iyg n GLU 75 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iyg n GLU 76 N -1.01 0.53 0.01 3.44 1.02 -1.26 -3.97 120.64 119.41 1iyg n GLU 76 Ca 0.22 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1iyg n GLU 76 Cb 0.15 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1iyg n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1iyg h GLN 77 N 0.00 -0.14 0.00 3.49 4.20 -1.84 -2.25 115.11 118.56 1iyg h GLN 77 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1iyg h GLN 77 Cb 0.92 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1iyg h GLN 77 CO 0.00 0.19 0.12 0.07 -0.67 0.00 0.00 178.83 178.54 1iyg h ARG 78 N -0.98 0.00 0.04 1.46 -0.00 -1.77 0.40 114.38 113.53 1iyg h ARG 78 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 59.69 1iyg h ARG 78 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.34 1iyg h ARG 78 CO 0.03 0.00 -1.49 0.22 -0.00 0.00 0.00 179.97 178.72 1iyg h ASP 79 N 0.00 0.14 0.45 0.08 3.58 -1.68 -3.32 116.42 115.67 1iyg h ASP 79 Ca 0.00 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1iyg h ASP 79 Cb 0.24 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1iyg h ASP 79 CO 0.00 1.18 -0.22 1.88 -2.88 0.00 0.00 179.24 179.21 1iyg h TYR 80 N 0.02 -0.57 -0.89 0.28 0.05 0.40 -3.24 116.97 113.03 1iyg h TYR 80 Ca -0.21 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.69 1iyg h TYR 80 Cb 1.95 0.19 -0.14 0.00 1.01 0.00 0.00 36.73 39.74 1iyg h TYR 80 CO 0.02 -0.35 -0.34 0.28 -1.05 0.00 0.00 178.16 176.72 1iyg n VAL 81 N -4.23 -0.47 -0.29 -2.88 0.31 -0.86 0.13 118.33 110.05 1iyg n VAL 81 Ca -0.08 2.09 0.11 0.00 -0.01 0.00 0.00 64.34 66.45 1iyg n VAL 81 Cb 0.24 -2.76 0.22 0.00 -0.91 0.00 0.00 33.84 30.63 1iyg n VAL 81 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1iyg n PHE 82 N -5.32 0.48 -0.03 3.52 7.35 -1.22 0.78 117.46 123.02 1iyg n PHE 82 Ca 0.09 1.01 -0.15 0.00 -0.76 0.00 0.00 57.45 57.65 1iyg n PHE 82 Cb 0.36 -1.10 -0.10 0.00 0.35 0.00 0.00 39.48 39.00 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 0.32 -0.93 -5.13 0.05 0.10 -2.72 116.97 108.66 1iyg h TYR 83 Ca 0.48 -0.14 0.28 0.00 0.05 0.00 0.00 58.73 59.40 1iyg h TYR 83 Cb 0.95 -0.05 -0.15 0.00 1.01 0.00 0.00 36.73 38.49 1iyg h TYR 83 CO -0.47 0.87 0.31 -0.07 -1.05 0.00 0.00 178.16 177.74 1iyg h LEU 84 N -0.31 0.08 -0.36 3.88 4.07 0.15 1.29 115.31 124.10 1iyg h LEU 84 Ca -0.02 0.21 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 1iyg h LEU 84 Cb 0.89 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1iyg h LEU 84 CO 0.05 -0.21 -0.25 0.00 -1.08 0.00 0.00 178.44 176.95 1iyg h ALA 85 N 1.85 0.52 0.31 1.53 0.00 -0.93 0.27 119.26 122.81 1iyg h ALA 85 Ca 0.63 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iyg h ALA 85 Cb 1.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1iyg h ALA 85 CO -0.70 0.51 -0.29 0.28 0.00 0.00 0.00 179.25 179.05 1iyg h VAL 86 N 0.60 0.39 0.13 0.00 2.07 0.17 1.03 116.25 120.64 1iyg h VAL 86 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1iyg h VAL 86 Cb 0.81 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1iyg h VAL 86 CO 0.07 0.00 -0.06 1.23 0.02 0.00 0.00 177.57 178.83 1iyg h GLY 87 N -0.62 -0.18 0.41 2.17 0.00 0.01 -2.18 103.07 102.67 1iyg h GLY 87 Ca -0.02 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1iyg h GLY 87 CO -0.05 -0.07 -0.24 3.43 0.00 0.00 0.00 176.54 179.62 1iyg h ASN 88 N -0.31 -0.71 -0.76 0.19 2.35 -0.31 -1.63 115.58 114.40 1iyg h ASN 88 Ca -0.02 0.10 0.18 0.00 -0.55 0.00 0.00 56.30 56.01 1iyg h ASN 88 Cb 0.25 0.30 -0.13 0.00 0.05 0.00 0.00 38.32 38.79 1iyg h ASN 88 CO 0.03 -0.30 0.05 0.22 -1.65 0.00 0.00 177.43 175.78 1iyg h TYR 89 N -0.35 0.03 -0.73 1.19 3.20 0.12 0.93 116.97 121.36 1iyg h TYR 89 Ca 0.07 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.16 1iyg h TYR 89 Cb 0.45 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1iyg h TYR 89 CO -0.29 -0.22 0.50 -0.09 -1.64 0.00 0.00 178.16 176.41 1iyg h ARG 90 N 0.13 0.26 -0.32 1.82 1.12 -0.64 1.47 114.38 118.22 1iyg h ARG 90 Ca 0.43 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.28 1iyg h ARG 90 Cb 0.76 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.67 1iyg h ARG 90 CO -0.65 0.17 0.00 1.28 -3.11 0.00 0.00 179.97 177.66 1iyg n LEU 91 N -4.44 1.65 -1.15 3.80 4.77 0.30 -4.85 117.00 117.09 1iyg n LEU 91 Ca 0.14 -0.82 -0.11 0.00 -0.03 0.00 0.00 56.01 55.19 1iyg n LEU 91 Cb 0.61 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1iyg n LEU 91 CO 0.34 0.40 -0.13 0.29 -1.33 0.00 0.00 177.39 176.96 1iyg n LYS 92 N 0.37 -0.85 -2.69 3.23 5.02 0.50 -4.93 118.16 118.82 1iyg n LYS 92 Ca 0.10 0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 56.60 1iyg n LYS 92 Cb 0.27 -4.71 0.01 0.00 -0.02 0.00 0.00 35.03 30.57 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 -2.24 3.91 -0.00 1.97 -0.58 -0.08 -4.76 120.64 118.87 1iyg n GLU 93 Ca -0.13 -3.98 -0.13 0.00 -0.42 0.00 0.00 57.16 52.50 1iyg n GLU 93 Cb 0.53 -2.76 -0.10 0.00 -0.57 0.00 0.00 31.44 28.54 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 5.80 -0.03 -0.78 -0.32 0.05 -1.87 0.28 116.97 120.11 1iyg h TYR 94 Ca 0.31 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.20 1iyg h TYR 94 Cb 0.66 0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.28 1iyg h TYR 94 CO 1.12 0.46 -0.41 0.93 -1.05 0.00 0.00 178.16 179.21 1iyg h GLU 95 N -0.54 -0.10 0.38 4.88 4.39 -1.98 1.66 114.58 123.27 1iyg h GLU 95 Ca -0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1iyg h GLU 95 Cb 0.51 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1iyg h GLU 95 CO 0.01 -0.07 -0.18 0.87 -1.16 0.00 0.00 179.01 178.47 1iyg h LYS 96 N -0.11 -0.49 -0.98 2.33 1.79 -1.96 -1.62 116.57 115.53 1iyg h LYS 96 Ca 0.25 0.03 0.18 0.00 -2.18 0.00 0.00 60.65 58.93 1iyg h LYS 96 Cb 0.56 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 31.14 1iyg h LYS 96 CO -0.82 -0.26 -0.29 0.00 -1.08 0.00 0.00 179.45 177.00 1iyg n ALA 97 N -2.70 0.12 0.16 3.86 0.00 0.97 0.55 120.51 123.47 1iyg n ALA 97 Ca -0.07 1.04 -0.07 0.00 0.00 0.00 0.00 53.44 54.34 1iyg n ALA 97 Cb 0.24 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.37 -1.98 0.00 3.38 0.24 1.69 115.31 118.27 1iyg h LEU 98 Ca 0.43 0.01 0.57 0.00 0.09 0.00 0.00 57.88 58.98 1iyg h LEU 98 Cb 0.67 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1iyg h LEU 98 CO -0.99 -0.26 1.43 0.50 0.09 0.00 0.00 178.44 179.21 1iyg h LYS 99 N -0.42 0.00 0.14 1.13 1.63 -0.01 2.04 116.57 121.08 1iyg h LYS 99 Ca -0.04 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.44 1iyg h LYS 99 Cb 0.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1iyg h LYS 99 CO 0.06 0.00 -1.65 1.88 -3.45 0.00 0.00 179.45 176.29 1iyg h TYR 100 N 0.00 0.56 0.55 1.91 0.05 0.93 -3.00 116.97 117.97 1iyg h TYR 100 Ca 0.94 -0.41 -0.03 0.00 0.05 0.00 0.00 58.73 59.29 1iyg h TYR 100 Cb 3.79 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 41.52 1iyg h TYR 100 CO 0.00 1.65 -0.26 0.28 -1.05 0.00 0.00 178.16 178.78 1iyg h VAL 101 N -0.08 0.23 -0.68 -2.88 2.07 1.53 -1.67 116.25 114.77 1iyg h VAL 101 Ca -0.34 -0.43 0.14 0.00 0.82 0.00 0.00 66.70 66.89 1iyg h VAL 101 Cb 1.94 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1iyg h VAL 101 CO 0.11 0.04 0.46 0.03 0.02 0.00 0.00 177.57 178.22 1iyg h ARG 102 N -1.08 0.29 0.00 1.57 -0.00 0.57 0.97 114.38 116.71 1iyg h ARG 102 Ca -0.08 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1iyg h ARG 102 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1iyg h ARG 102 CO 0.12 0.19 0.00 0.41 0.00 0.00 0.00 179.97 180.70 1iyg n GLY 103 N -1.55 -1.25 0.07 0.04 0.00 -1.13 -2.98 105.19 98.38 1iyg n GLY 103 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.32 0.00 0.22 0.99 -0.00 0.31 -4.27 117.00 112.94 1iyg n LEU 104 Ca 0.12 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.31 1iyg n LEU 104 Cb 0.24 0.36 0.75 0.00 -0.00 0.00 0.00 43.42 44.77 1iyg n LEU 104 CO 0.22 0.36 1.15 -0.07 -0.00 0.00 0.00 177.39 179.05 1iyg h LEU 105 N 0.00 0.00 0.00 -1.96 -0.00 -0.66 -1.60 115.31 111.08 1iyg h LEU 105 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1iyg h LEU 105 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 1iyg h LEU 105 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 1iyg n GLN 106 N -3.24 0.00 0.00 1.13 6.02 -1.26 0.13 117.38 120.17 1iyg n GLN 106 Ca 0.03 0.26 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1iyg n GLN 106 Cb 0.52 -0.90 0.67 0.00 1.02 0.00 0.00 30.24 31.55 1iyg n GLN 106 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1iyg n THR 107 N -0.67 0.03 -3.15 5.09 5.66 -1.14 -3.40 114.28 116.71 1iyg n THR 107 Ca 0.00 0.01 -0.20 0.00 -3.05 0.00 0.00 64.05 60.81 1iyg n THR 107 Cb 0.00 -0.65 -0.03 0.00 -1.55 0.00 0.00 70.33 68.10 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 -1.03 1.42 0.05 1.09 -0.58 -0.62 -4.93 120.64 116.05 1iyg n GLU 108 Ca 0.17 -3.68 -0.03 0.00 -0.42 0.00 0.00 57.16 53.20 1iyg n GLU 108 Cb 0.09 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.15 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 3.07 -0.18 -0.08 3.49 0.13 0.11 -3.31 132.00 135.22 1iyg h PRO 109 Ca 0.11 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1iyg h PRO 109 Cb 0.87 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1iyg h PRO 109 CO 0.56 -0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 1iyg n GLN 110 N -3.66 1.24 0.27 0.86 10.64 -1.26 -3.75 117.38 121.71 1iyg n GLN 110 Ca -0.02 -0.36 0.16 0.00 -1.83 0.00 0.00 57.00 54.95 1iyg n GLN 110 Cb 0.07 -1.22 0.87 0.00 -0.86 0.00 0.00 30.24 29.11 1iyg n GLN 110 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1iyg h ASN 111 N 0.66 0.00 0.00 2.61 -1.24 -1.92 -3.44 115.58 112.25 1iyg h ASN 111 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1iyg h ASN 111 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1iyg h ASN 111 CO 0.00 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.73 1iyg n ASN 112 N -2.70 0.00 -0.25 1.15 3.02 -1.25 -4.32 115.26 110.92 1iyg n ASN 112 Ca -0.02 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.69 1iyg n ASN 112 Cb 0.16 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.63 1iyg n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iyg n GLN 113 N 0.00 -0.05 -0.03 3.52 1.13 -1.26 0.20 117.38 120.89 1iyg n GLN 113 Ca 0.00 1.07 -0.15 0.00 -1.94 0.00 0.00 57.00 55.97 1iyg n GLN 113 Cb 0.00 -1.78 -0.12 0.00 0.11 0.00 0.00 30.24 28.45 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iyg h ALA 114 N 1.47 0.01 -0.46 -1.58 0.00 -1.83 -3.21 119.26 113.66 1iyg h ALA 114 Ca 0.51 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iyg h ALA 114 Cb 1.20 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1iyg h ALA 114 CO -0.64 0.08 -0.38 0.87 0.00 0.00 0.00 179.25 179.18 1iyg h LYS 115 N -0.61 -0.13 -0.28 0.00 1.57 0.20 0.68 116.57 118.00 1iyg h LYS 115 Ca -0.04 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1iyg h LYS 115 Cb 1.06 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1iyg h LYS 115 CO 0.05 -0.09 -0.23 0.93 -0.57 0.00 0.00 179.45 179.54 1iyg h GLU 116 N -0.13 -0.07 -0.74 3.15 5.08 -0.88 -1.00 114.58 119.98 1iyg h GLU 116 Ca 0.08 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1iyg h GLU 116 Cb 0.33 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 1iyg h GLU 116 CO -0.51 -0.05 -0.44 1.28 -1.00 0.00 0.00 179.01 178.30 1iyg n LEU 117 N -3.82 -0.78 -0.39 1.33 4.77 -0.71 0.19 117.00 117.59 1iyg n LEU 117 Ca -0.00 1.51 -0.09 0.00 -0.03 0.00 0.00 56.01 57.40 1iyg n LEU 117 Cb 0.12 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 1iyg n LEU 117 CO -0.03 -1.17 0.46 1.21 -1.33 0.00 0.00 177.39 176.53 1iyg n GLU 118 N -4.70 -0.38 -0.23 3.23 2.13 0.15 0.13 120.64 120.97 1iyg n GLU 118 Ca 0.01 1.40 -0.07 0.00 0.66 0.00 0.00 57.16 59.17 1iyg n GLU 118 Cb 0.19 -2.07 0.04 0.00 0.27 0.00 0.00 31.44 29.87 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 0.95 0.35 5.31 3.08 0.56 0.30 114.38 124.93 1iyg h ARG 119 Ca 0.17 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1iyg h ARG 119 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1iyg h ARG 119 CO -0.88 0.79 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.31 1iyg h LEU 120 N 0.89 -1.21 -0.87 3.04 3.38 0.79 -1.63 115.31 119.69 1iyg h LEU 120 Ca 0.21 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.41 1iyg h LEU 120 Cb 0.20 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1iyg h LEU 120 CO -0.02 -0.54 0.49 0.40 0.09 0.00 0.00 178.44 178.87 1iyg h ILE 121 N -0.80 0.84 -0.97 1.22 2.04 0.12 0.34 117.51 120.30 1iyg h ILE 121 Ca -0.04 -0.26 0.27 0.00 1.00 0.00 0.00 64.86 65.82 1iyg h ILE 121 Cb 0.71 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.66 1iyg h ILE 121 CO -0.10 0.14 0.50 -0.78 0.00 0.00 0.00 178.15 177.91 1iyg h ASP 122 N 0.77 0.46 0.19 1.72 3.58 -0.07 0.22 116.42 123.29 1iyg h ASP 122 Ca 0.44 0.17 -0.30 0.00 0.42 0.00 0.00 57.03 57.76 1iyg h ASP 122 Cb 0.50 0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.69 1iyg h ASP 122 CO -0.29 -0.04 -1.42 0.11 -2.88 0.00 0.00 179.24 174.72 1iyg h LYS 123 N 0.40 0.41 -1.62 0.28 1.57 0.13 -3.28 116.57 114.45 1iyg h LYS 123 Ca 0.65 -0.70 0.50 0.00 -1.87 0.00 0.00 60.65 59.23 1iyg h LYS 123 Cb 1.35 0.26 -0.10 0.00 0.08 0.00 0.00 32.23 33.83 1iyg h LYS 123 CO -0.56 1.33 1.13 0.00 -0.57 0.00 0.00 179.45 180.78 1iyg h ALA 124 N 0.09 3.32 -0.04 3.86 0.00 0.27 1.74 119.26 128.51 1iyg h ALA 124 Ca -0.27 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1iyg h ALA 124 Cb 1.98 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1iyg h ALA 124 CO 0.19 -1.90 -0.30 0.52 0.00 0.00 0.00 179.25 177.76 1iyg h MET 125 N 0.03 0.28 -0.14 0.00 2.86 -1.30 -3.06 114.93 113.60 1iyg h MET 125 Ca 0.86 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 58.26 1iyg h MET 125 Cb 3.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 34.86 1iyg h MET 125 CO -0.19 0.91 0.00 1.63 1.06 0.00 0.00 176.91 180.32 1iyg n LYS 126 N -4.46 1.40 -3.00 1.72 4.76 0.47 -3.93 118.16 115.12 1iyg n LYS 126 Ca -0.09 -0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 54.32 1iyg n LYS 126 Cb 0.50 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1iyg n LYS 126 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iyg n LYS 127 N -0.08 4.43 -2.68 1.97 5.02 0.48 -4.82 118.16 122.48 1iyg n LYS 127 Ca 0.10 -4.58 -0.01 0.00 -2.02 0.00 0.00 58.31 51.81 1iyg n LYS 127 Cb 0.18 -2.49 -0.01 0.00 -0.02 0.00 0.00 35.03 32.69 1iyg n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iyg n SER 128 N 1.15 -6.86 0.00 4.39 2.88 -1.26 -4.90 113.62 109.01 1iyg n SER 128 Ca 0.28 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1iyg n SER 128 Cb 0.33 -5.28 0.00 0.00 -0.75 0.00 0.00 64.21 58.51 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iyg n GLY 129 N 0.84 -0.78 3.79 0.46 0.00 -1.25 -4.99 105.19 103.26 1iyg n GLY 129 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.63 1.22 -0.22 1.61 0.04 -1.26 -5.00 135.00 130.75 1iyg s PRO 130 Ca 0.00 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.21 1iyg s PRO 130 Cb 0.00 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.76 1iyg s PRO 130 CO 0.00 -2.15 0.55 0.45 0.04 0.00 0.00 177.00 175.89 1iyg s SER 131 N -4.03 -0.70 -0.40 6.66 0.15 -1.26 -4.56 113.70 109.56 1iyg s SER 131 Ca 0.64 1.18 0.05 0.00 0.70 0.00 0.00 55.95 58.51 1iyg s SER 131 Cb -0.15 1.08 0.45 0.00 -1.71 0.00 0.00 66.02 65.69 1iyg s SER 131 CO 0.53 -0.21 1.33 -1.54 1.20 0.00 0.00 173.24 174.55 1iyg n SER 132 N 4.01 5.39 0.00 5.45 3.41 -1.26 -5.22 113.62 125.41 1iyg n SER 132 Ca -0.20 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.65 1iyg n SER 132 Cb 0.57 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49