#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 0.93 -0.21 1.61 0.01 -1.26 -5.10 113.70 109.69 1iyg s SER 2 Ca 0.00 -2.78 -0.11 0.00 1.31 0.00 0.00 55.95 54.36 1iyg s SER 2 Cb 0.00 -0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.29 1iyg s SER 2 CO 0.00 -0.15 0.50 -0.44 0.41 0.00 0.00 173.24 173.56 1iyg s SER 3 N 0.26 -0.65 -0.38 2.44 0.01 -1.26 -5.11 113.70 109.01 1iyg s SER 3 Ca 0.32 1.10 -0.28 0.00 1.31 0.00 0.00 55.95 58.40 1iyg s SER 3 Cb 0.02 0.99 -0.02 0.00 0.21 0.00 0.00 66.02 67.22 1iyg s SER 3 CO -0.16 -0.21 1.87 -0.83 0.41 0.00 0.00 173.24 174.32 1iyg s GLY 4 N 1.52 0.61 -0.29 3.44 0.00 -1.26 -4.90 107.32 106.44 1iyg s GLY 4 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.78 1iyg s GLY 4 CO -0.15 3.38 0.57 -0.56 0.00 0.00 0.00 173.10 176.34 1iyg s SER 5 N 6.92 -1.32 0.29 1.64 0.01 -1.26 -5.10 113.70 114.87 1iyg s SER 5 Ca 0.80 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1iyg s SER 5 Cb -0.21 2.00 0.00 0.00 0.21 0.00 0.00 66.02 68.02 1iyg s SER 5 CO 0.31 -0.28 0.00 -1.20 0.41 0.00 0.00 173.24 172.48 1iyg n SER 6 N 5.42 -6.75 0.00 2.44 7.64 -1.26 -4.85 113.62 116.25 1iyg n SER 6 Ca 0.02 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1iyg n SER 6 Cb 0.52 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 1iyg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 7 N -3.51 2.08 0.13 0.23 0.00 -1.26 -4.21 105.19 98.65 1iyg n GLY 7 Ca -0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 0.62 0.15 1.61 1.56 -1.26 -3.66 117.12 116.14 1iyg n MET 8 Ca 0.00 0.24 0.10 0.00 -0.27 0.00 0.00 57.70 57.78 1iyg n MET 8 Cb 0.00 -1.53 0.55 0.00 2.15 0.00 0.00 33.22 34.38 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 -3.85 0.13 -0.00 2.12 2.13 -1.26 -0.99 120.64 118.92 1iyg n GLU 9 Ca -0.48 0.62 -0.21 0.00 0.66 0.00 0.00 57.16 57.75 1iyg n GLU 9 Cb 0.92 -1.93 -0.14 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.76 0.92 -0.03 4.31 0.00 -1.26 -2.56 120.51 120.13 1iyg n ALA 10 Ca -0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.70 1iyg n ALA 10 Cb 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 0.07 1.08 -0.43 0.00 2.07 -1.13 0.24 116.25 118.14 1iyg h VAL 11 Ca -0.43 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1iyg h VAL 11 Cb 2.03 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1iyg h VAL 11 CO 0.08 0.07 -0.20 -0.07 0.02 0.00 0.00 177.57 177.47 1iyg h LEU 12 N 0.16 0.86 0.00 2.57 3.38 -1.41 -3.34 115.31 117.52 1iyg h LEU 12 Ca 0.05 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1iyg h LEU 12 Cb 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1iyg h LEU 12 CO -0.01 1.03 0.00 0.59 0.09 0.00 0.00 178.44 180.14 1iyg n ASN 13 N -4.12 0.00 -4.06 -0.43 5.03 -0.95 -4.79 115.26 105.94 1iyg n ASN 13 Ca 0.00 0.39 -0.37 0.00 0.87 0.00 0.00 54.58 55.48 1iyg n ASN 13 Cb 0.43 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.22 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 -0.45 -0.00 -4.51 3.52 0.00 0.79 -4.99 120.64 115.01 1iyg n GLU 14 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 1iyg n GLU 14 Cb 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 31.44 30.31 1iyg n GLU 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1iyg s LEU 15 N 7.21 2.61 0.29 4.31 1.43 -1.26 -4.86 118.68 128.41 1iyg s LEU 15 Ca 0.44 -1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.03 1iyg s LEU 15 Cb -0.24 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1iyg s LEU 15 CO 0.79 -0.35 0.91 0.54 0.23 0.00 0.00 176.35 178.48 1iyg s VAL 16 N -2.85 4.23 -0.08 -1.59 0.11 -0.18 -4.94 120.40 115.10 1iyg s VAL 16 Ca 0.32 1.81 -0.21 0.00 -2.93 0.00 0.00 61.98 60.97 1iyg s VAL 16 Cb 0.05 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1iyg s VAL 16 CO 0.15 0.23 0.61 -0.44 -3.33 0.00 0.00 175.10 172.32 1iyg s SER 17 N -1.52 6.89 0.16 3.54 0.01 -1.26 -4.80 113.70 116.72 1iyg s SER 17 Ca 0.47 1.06 -0.19 0.00 1.31 0.00 0.00 55.95 58.60 1iyg s SER 17 Cb -0.20 -2.36 0.08 0.00 0.21 0.00 0.00 66.02 63.75 1iyg s SER 17 CO 0.25 -0.05 1.64 1.62 0.41 0.00 0.00 173.24 177.11 1iyg h VAL 18 N 4.67 0.47 -0.86 3.43 3.04 -1.97 0.90 116.25 125.92 1iyg h VAL 18 Ca -0.41 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.47 1iyg h VAL 18 Cb 1.19 0.47 -0.16 0.00 -2.01 0.00 0.00 31.29 30.77 1iyg h VAL 18 CO 0.75 0.00 -0.14 1.21 -1.01 0.00 0.00 177.57 178.38 1iyg n GLU 19 N -5.36 -0.07 0.03 4.17 2.13 -1.26 0.86 120.64 121.14 1iyg n GLU 19 Ca 0.01 1.33 -0.11 0.00 0.66 0.00 0.00 57.16 59.05 1iyg n GLU 19 Cb 0.27 -2.03 -0.08 0.00 0.27 0.00 0.00 31.44 29.87 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 -0.14 -0.88 4.31 3.32 -1.51 -2.10 116.42 119.42 1iyg h ASP 20 Ca 0.45 -0.43 0.15 0.00 0.02 0.00 0.00 57.03 57.22 1iyg h ASP 20 Cb 0.78 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.21 1iyg h ASP 20 CO -0.86 0.44 -0.34 0.25 -1.72 0.00 0.00 179.24 177.00 1iyg h LEU 21 N -0.80 -1.24 -0.79 1.55 7.12 0.21 1.27 115.31 122.62 1iyg h LEU 21 Ca -0.02 0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.28 1iyg h LEU 21 Cb 0.55 0.67 -0.04 0.00 -0.53 0.00 0.00 40.66 41.32 1iyg h LEU 21 CO 0.03 -0.30 0.50 0.11 -0.13 0.00 0.00 178.44 178.65 1iyg h LYS 22 N -0.04 1.05 -0.27 1.25 1.79 0.41 1.44 116.57 122.20 1iyg h LYS 22 Ca 0.34 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.78 1iyg h LYS 22 Cb 0.60 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 1iyg h LYS 22 CO -0.91 0.72 -0.05 -0.97 -1.08 0.00 0.00 179.45 177.17 1iyg h ASN 23 N 1.07 -0.21 -0.01 0.86 -0.73 0.20 0.19 115.58 116.96 1iyg h ASN 23 Ca 0.29 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1iyg h ASN 23 Cb -0.08 0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1iyg h ASN 23 CO -0.06 -0.07 -0.03 -0.26 -0.37 0.00 0.00 177.43 176.64 1iyg h PHE 24 N 0.02 0.04 -1.03 0.67 -1.00 0.50 -3.01 116.94 113.14 1iyg h PHE 24 Ca 0.13 -0.02 0.29 0.00 2.81 0.00 0.00 57.97 61.18 1iyg h PHE 24 Cb 0.19 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.69 1iyg h PHE 24 CO -0.25 0.67 0.72 1.49 -1.61 0.00 0.00 178.31 179.33 1iyg h GLU 25 N -0.60 0.10 -0.26 1.51 4.81 0.22 0.56 114.58 120.92 1iyg h GLU 25 Ca -0.00 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1iyg h GLU 25 Cb 0.67 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1iyg h GLU 25 CO 0.01 0.07 -0.46 -0.09 -0.73 0.00 0.00 179.01 177.80 1iyg h ARG 26 N 0.11 0.77 -0.39 1.92 2.43 -0.56 -2.34 114.38 116.32 1iyg h ARG 26 Ca 0.51 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1iyg h ARG 26 Cb 1.84 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.42 1iyg h ARG 26 CO -0.07 1.11 0.21 -0.22 -1.51 0.00 0.00 179.97 179.48 1iyg h LYS 27 N 0.52 0.55 0.48 0.20 1.63 0.18 -0.06 116.57 120.06 1iyg h LYS 27 Ca 0.02 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1iyg h LYS 27 Cb 1.06 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1iyg h LYS 27 CO 0.10 0.46 -0.42 0.35 -3.45 0.00 0.00 179.45 176.49 1iyg h PHE 28 N 0.50 -1.15 0.10 1.91 3.57 -1.09 0.54 116.94 121.33 1iyg h PHE 28 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1iyg h PHE 28 Cb 0.07 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1iyg h PHE 28 CO -0.02 -0.59 -0.38 1.96 -2.23 0.00 0.00 178.31 177.04 1iyg h GLN 29 N -0.90 -0.58 0.12 1.11 4.20 -1.33 0.15 115.11 117.88 1iyg h GLN 29 Ca -0.05 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1iyg h GLN 29 Cb 0.78 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1iyg h GLN 29 CO -0.03 -0.39 -0.22 1.03 -0.67 0.00 0.00 178.83 178.54 1iyg h SER 30 N -0.60 -0.65 -1.53 1.46 0.87 -0.88 0.06 113.55 112.28 1iyg h SER 30 Ca 0.03 0.06 0.45 0.00 -1.23 0.00 0.00 61.79 61.10 1iyg h SER 30 Cb 0.64 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 1iyg h SER 30 CO -0.24 -0.26 1.09 -0.33 -0.53 0.00 0.00 176.83 176.57 1iyg h GLU 31 N -0.37 0.01 0.63 2.24 4.39 0.22 0.69 114.58 122.39 1iyg h GLU 31 Ca -0.01 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1iyg h GLU 31 Cb 0.35 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1iyg h GLU 31 CO -0.09 0.01 -0.30 0.37 -1.16 0.00 0.00 179.01 177.84 1iyg h GLN 32 N 0.01 -0.82 0.00 2.33 4.15 0.12 -1.66 115.11 119.24 1iyg h GLN 32 Ca 0.74 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.21 1iyg h GLN 32 Cb 2.91 0.19 0.00 0.00 0.21 0.00 0.00 27.48 30.79 1iyg h GLN 32 CO -0.03 -0.55 0.00 0.00 -1.93 0.00 0.00 178.83 176.32 1iyg n ALA 33 N -2.58 1.58 0.12 3.38 0.00 0.37 -1.59 120.51 121.80 1iyg n ALA 33 Ca -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1iyg n ALA 33 Cb 0.34 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 0.88 0.00 0.00 0.00 0.55 -3.47 119.26 119.67 1iyg h ALA 34 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1iyg h ALA 34 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iyg h ALA 34 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1iyg n GLY 35 N 0.41 1.83 0.00 0.00 0.00 -0.62 -5.05 105.19 101.75 1iyg n GLY 35 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1iyg n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iyg n SER 36 N 0.00 0.00 -4.72 1.61 7.64 -0.65 -4.99 113.62 112.51 1iyg n SER 36 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1iyg n SER 36 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1iyg n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1iyg s VAL 37 N 0.00 2.38 0.41 0.44 1.01 -1.19 -4.65 120.40 118.80 1iyg s VAL 37 Ca 0.00 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 1iyg s VAL 37 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 1iyg s VAL 37 CO 0.00 0.02 0.97 -0.44 0.00 0.00 0.00 175.10 175.65 1iyg s SER 38 N 1.06 6.93 0.21 3.32 0.01 -1.26 -4.88 113.70 119.09 1iyg s SER 38 Ca 0.70 1.77 -0.13 0.00 1.31 0.00 0.00 55.95 59.61 1iyg s SER 38 Cb -0.46 -2.55 0.24 0.00 0.21 0.00 0.00 66.02 63.46 1iyg s SER 38 CO 0.33 -0.37 1.63 0.07 0.41 0.00 0.00 173.24 175.31 1iyg h LYS 39 N 2.15 0.00 -0.65 12.44 2.10 -1.95 -0.56 116.57 130.12 1iyg h LYS 39 Ca -0.49 -0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.22 1iyg h LYS 39 Cb 1.19 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.44 1iyg h LYS 39 CO 0.62 0.00 -0.40 0.77 -2.00 0.00 0.00 179.45 178.44 1iyg h SER 40 N 0.00 -1.47 -0.36 7.07 0.02 -1.99 0.51 113.55 117.33 1iyg h SER 40 Ca 0.31 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.55 1iyg h SER 40 Cb 0.47 0.65 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1iyg h SER 40 CO -0.65 -0.17 -0.00 0.74 -1.14 0.00 0.00 176.83 175.60 1iyg h THR 41 N -0.03 0.72 -0.04 -2.27 2.02 -1.62 0.39 112.91 112.08 1iyg h THR 41 Ca 0.10 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1iyg h THR 41 Cb 0.30 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1iyg h THR 41 CO -0.62 0.02 -0.23 -0.61 0.37 0.00 0.00 175.52 174.45 1iyg h GLN 42 N 0.09 -0.25 -0.76 6.66 4.15 0.82 0.86 115.11 126.69 1iyg h GLN 42 Ca 0.18 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.73 1iyg h GLN 42 Cb 0.25 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1iyg h GLN 42 CO -0.30 -0.17 0.50 0.35 -1.93 0.00 0.00 178.83 177.28 1iyg h PHE 43 N -0.26 0.67 0.00 3.99 3.04 0.09 0.29 116.94 124.76 1iyg h PHE 43 Ca 0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1iyg h PHE 43 Cb 0.29 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1iyg h PHE 43 CO -0.48 0.30 0.00 0.39 -2.02 0.00 0.00 178.31 176.50 1iyg n GLU 44 N -4.50 0.00 -0.27 1.11 1.02 0.14 -0.72 120.64 117.41 1iyg n GLU 44 Ca 0.13 0.36 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 1iyg n GLU 44 Cb 0.38 -1.25 0.22 0.00 -0.02 0.00 0.00 31.44 30.77 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 0.35 0.29 -0.32 3.20 0.78 0.31 116.97 121.57 1iyg h TYR 45 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1iyg h TYR 45 Cb 0.00 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1iyg h TYR 45 CO 0.13 -0.10 -0.41 0.00 -1.64 0.00 0.00 178.16 176.14 1iyg h ALA 46 N 1.66 -0.83 -0.72 1.82 0.00 -0.48 0.69 119.26 121.40 1iyg h ALA 46 Ca 0.46 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.39 1iyg h ALA 46 Cb 0.83 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1iyg h ALA 46 CO -0.54 -1.01 0.48 2.35 0.00 0.00 0.00 179.25 180.53 1iyg h TRP 47 N -0.75 0.50 -0.60 0.00 -0.00 0.59 0.44 115.95 116.13 1iyg h TRP 47 Ca -0.01 0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 1iyg h TRP 47 Cb 0.71 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 1iyg h TRP 47 CO -0.28 0.20 0.09 0.00 -0.00 0.00 0.00 178.44 178.45 1iyg h LEU 49 N 0.90 -0.62 -1.24 0.00 3.38 0.48 -1.73 115.31 116.48 1iyg h LEU 49 Ca 0.18 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.42 1iyg h LEU 49 Cb 0.44 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 1iyg h LEU 49 CO 0.01 -0.43 0.64 -0.37 0.09 0.00 0.00 178.44 178.38 1iyg h VAL 50 N -0.71 0.58 0.00 1.22 -1.51 -1.15 1.56 116.25 116.24 1iyg h VAL 50 Ca -0.07 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1iyg h VAL 50 Cb 0.55 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1iyg h VAL 50 CO 0.11 0.09 -0.01 0.03 -1.23 0.00 0.00 177.57 176.56 1iyg h ARG 51 N 0.50 0.00 0.00 5.19 2.47 -0.39 -3.43 114.38 118.73 1iyg h ARG 51 Ca 0.59 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.27 1iyg h ARG 51 Cb 1.30 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.64 1iyg h ARG 51 CO -0.34 0.01 -0.01 0.45 0.56 0.00 0.00 179.97 180.65 1iyg n SER 52 N -3.57 -1.99 -0.04 7.04 2.88 0.53 -1.01 113.62 117.45 1iyg n SER 52 Ca -0.03 -0.18 0.03 0.00 -1.33 0.00 0.00 58.87 57.36 1iyg n SER 52 Cb 0.10 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1iyg n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iyg n LYS 53 N -2.27 4.15 -2.75 -1.46 -0.00 -1.26 -4.57 118.16 109.99 1iyg n LYS 53 Ca 0.01 -0.13 -0.40 0.00 -0.00 0.00 0.00 58.31 57.79 1iyg n LYS 53 Cb 0.06 -0.86 -0.06 0.00 -0.00 0.00 0.00 35.03 34.17 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 -1.48 3.97 0.06 5.58 1.51 -1.26 -4.97 117.35 120.76 1iyg s TYR 54 Ca 0.03 1.91 -0.18 0.00 -1.01 0.00 0.00 57.07 57.82 1iyg s TYR 54 Cb 0.05 -2.98 -0.14 0.00 -0.11 0.00 0.00 41.96 38.79 1iyg s TYR 54 CO 0.24 0.44 1.33 -0.91 -1.11 0.00 0.00 175.55 175.55 1iyg h ASN 55 N 4.10 0.54 0.40 2.29 2.35 -1.94 -2.68 115.58 120.64 1iyg h ASN 55 Ca -0.45 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 54.77 1iyg h ASN 55 Cb 1.20 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1iyg h ASN 55 CO 0.68 0.95 -0.27 -0.33 -1.65 0.00 0.00 177.43 176.81 1iyg h GLU 56 N 0.14 -0.63 -0.88 0.81 5.08 -2.00 -1.42 114.58 115.68 1iyg h GLU 56 Ca 0.02 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.64 1iyg h GLU 56 Cb 0.84 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 1iyg h GLU 56 CO 0.06 -0.42 0.37 -0.44 -1.00 0.00 0.00 179.01 177.58 1iyg h ASP 57 N -0.65 0.29 0.00 1.42 5.19 -1.90 -0.79 116.42 119.98 1iyg h ASP 57 Ca -0.04 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1iyg h ASP 57 Cb 0.54 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1iyg h ASP 57 CO 0.03 -0.01 0.00 -0.38 -3.12 0.00 0.00 179.24 175.76 1iyg n ILE 58 N -5.06 0.00 -0.48 0.35 5.41 -0.83 -0.70 119.36 118.04 1iyg n ILE 58 Ca 0.21 1.45 0.39 0.00 1.00 0.00 0.00 62.75 65.81 1iyg n ILE 58 Cb 0.64 -2.38 0.64 0.00 -0.71 0.00 0.00 39.64 37.83 1iyg n ILE 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1iyg n ARG 59 N -1.98 -0.02 0.16 0.38 0.63 -0.60 0.19 116.66 115.42 1iyg n ARG 59 Ca 0.00 1.07 -0.07 0.00 -0.92 0.00 0.00 57.85 57.93 1iyg n ARG 59 Cb 0.00 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 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 -0.43 -0.43 -0.14 -0.00 -0.48 -2.86 114.38 110.05 1iyg h ARG 60 Ca 0.80 0.03 0.12 0.00 -0.50 0.00 0.00 59.98 60.43 1iyg h ARG 60 Cb 2.78 0.10 -0.02 0.00 0.00 0.00 0.00 29.97 32.83 1iyg h ARG 60 CO -0.29 -0.28 0.92 0.78 0.00 0.00 0.00 179.97 181.09 1iyg h GLY 61 N -0.69 0.00 0.18 0.04 0.00 0.20 0.15 103.07 102.95 1iyg h GLY 61 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1iyg h GLY 61 CO 0.07 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.31 1iyg h ILE 62 N 0.00 0.00 -1.18 2.60 2.04 -1.17 -1.53 117.51 118.27 1iyg h ILE 62 Ca 0.20 -0.32 0.43 0.00 1.00 0.00 0.00 64.86 66.18 1iyg h ILE 62 Cb 2.04 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.97 1iyg h ILE 62 CO -0.00 0.00 0.71 -0.37 0.00 0.00 0.00 178.15 178.49 1iyg h VAL 63 N -0.56 0.06 0.48 1.67 -1.51 -0.50 2.72 116.25 118.61 1iyg h VAL 63 Ca -0.02 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.40 1iyg h VAL 63 Cb 0.18 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.35 1iyg h VAL 63 CO 0.04 0.01 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.09 1iyg h LEU 64 N 0.05 -0.54 -2.18 4.19 3.38 -1.44 -2.02 115.31 116.76 1iyg h LEU 64 Ca 0.84 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.87 1iyg h LEU 64 Cb 2.43 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 43.32 1iyg h LEU 64 CO -0.59 -0.28 0.11 -0.07 0.09 0.00 0.00 178.44 177.70 1iyg h LEU 65 N -0.85 0.00 -1.62 1.67 3.38 0.64 0.41 115.31 118.95 1iyg h LEU 65 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1iyg h LEU 65 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1iyg h LEU 65 CO 0.11 0.00 -0.08 -0.33 0.09 0.00 0.00 178.44 178.23 1iyg h GLU 66 N 0.00 0.00 0.00 1.13 5.08 0.47 -1.41 114.58 119.85 1iyg h GLU 66 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1iyg h GLU 66 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1iyg h GLU 66 CO -0.00 0.08 -1.54 0.39 -1.00 0.00 0.00 179.01 176.93 1iyg n GLU 67 N -3.27 0.63 0.19 2.33 1.02 0.14 -3.84 120.64 117.85 1iyg n GLU 67 Ca -0.00 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1iyg n GLU 67 Cb 0.30 -1.74 0.24 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.02 -4.62 3.38 -0.75 -3.03 115.31 110.27 1iyg h LEU 68 Ca -0.17 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1iyg h LEU 68 Cb 1.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1iyg h LEU 68 CO 0.03 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.14 1iyg h LEU 69 N 0.00 -1.10 -0.75 1.67 -0.00 -1.38 0.95 115.31 114.70 1iyg h LEU 69 Ca 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1iyg h LEU 69 Cb 0.92 0.42 -0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1iyg h LEU 69 CO 0.00 -0.34 -0.03 1.55 -0.00 0.00 0.00 178.44 179.62 1iyg h PRO 70 N -0.43 0.00 -0.96 1.13 0.13 -1.79 -2.91 132.00 127.18 1iyg h PRO 70 Ca 0.01 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.62 1iyg h PRO 70 Cb 0.47 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.30 1iyg h PRO 70 CO -0.25 0.03 0.63 1.63 -0.23 0.00 0.00 178.00 179.82 1iyg n LYS 71 N -3.12 2.29 0.00 0.86 5.02 -0.61 -4.86 118.16 117.75 1iyg n LYS 71 Ca 0.02 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 1iyg n LYS 71 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 -1.11 0.58 0.00 0.72 0.00 0.32 -4.81 105.19 100.88 1iyg n GLY 72 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1iyg n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iyg n SER 73 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.03 113.62 111.82 1iyg n SER 73 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iyg n SER 73 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iyg n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1iyg n LYS 74 N -0.04 0.00 0.00 -1.46 3.00 -1.26 -4.85 118.16 113.55 1iyg n LYS 74 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1iyg n LYS 74 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 35.03 35.63 1iyg n LYS 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1iyg n GLU 75 N -2.06 0.51 -0.01 1.64 1.02 -1.26 -3.26 120.64 117.22 1iyg n GLU 75 Ca 0.00 0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1iyg n GLU 75 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 1iyg n GLU 75 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1iyg h GLU 76 N 0.00 -0.09 -1.01 3.49 5.08 -1.96 -3.27 114.58 116.82 1iyg h GLU 76 Ca 0.00 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1iyg h GLU 76 Cb 0.09 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 1iyg h GLU 76 CO 0.00 0.25 0.59 1.96 -1.00 0.00 0.00 179.01 180.81 1iyg h GLN 77 N -0.99 0.46 -0.47 2.33 4.20 -1.86 1.25 115.11 120.03 1iyg h GLN 77 Ca -0.01 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.74 1iyg h GLN 77 Cb 0.39 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1iyg h GLN 77 CO 0.02 0.31 0.32 0.00 -0.67 0.00 0.00 178.83 178.80 1iyg h ARG 78 N 0.48 0.33 0.00 1.46 -0.00 -1.67 0.31 114.38 115.28 1iyg h ARG 78 Ca 0.68 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 60.08 1iyg h ARG 78 Cb 1.42 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.30 1iyg h ARG 78 CO -0.52 0.22 -0.68 0.22 0.00 0.00 0.00 179.97 179.21 1iyg h ASP 79 N 0.34 0.00 0.00 7.04 1.82 0.14 -3.31 116.42 122.45 1iyg h ASP 79 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1iyg h ASP 79 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1iyg h ASP 79 CO -0.05 0.22 0.00 -1.22 -1.61 0.00 0.00 179.24 176.58 1iyg n TYR 80 N -2.96 0.00 -0.28 0.28 4.01 0.73 -3.61 117.16 115.33 1iyg n TYR 80 Ca -0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1iyg n TYR 80 Cb 0.64 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.78 -0.44 -0.34 -0.72 0.31 0.72 0.13 118.33 116.21 1iyg n VAL 81 Ca 0.00 1.64 -0.03 0.00 -0.01 0.00 0.00 64.34 65.94 1iyg n VAL 81 Cb 0.00 -2.05 0.01 0.00 -0.91 0.00 0.00 33.84 30.89 1iyg n VAL 81 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1iyg n PHE 82 N -4.88 -0.05 -0.15 3.52 7.35 -1.24 0.15 117.46 122.16 1iyg n PHE 82 Ca 0.02 1.07 -0.06 0.00 -0.76 0.00 0.00 57.45 57.72 1iyg n PHE 82 Cb 0.19 -0.77 0.11 0.00 0.35 0.00 0.00 39.48 39.36 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 0.96 -0.05 -5.13 0.05 0.10 0.34 116.97 113.24 1iyg h TYR 83 Ca 0.27 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1iyg h TYR 83 Cb 0.48 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1iyg h TYR 83 CO -0.78 0.87 0.03 -0.07 -1.05 0.00 0.00 178.16 177.16 1iyg h LEU 84 N 0.83 0.06 0.00 3.88 4.07 0.39 0.82 115.31 125.35 1iyg h LEU 84 Ca 0.16 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1iyg h LEU 84 Cb 0.49 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1iyg h LEU 84 CO 0.02 0.04 -0.32 0.00 -1.08 0.00 0.00 178.44 177.11 1iyg h ALA 85 N 1.97 0.02 -1.00 1.53 0.00 0.61 -2.34 119.26 120.04 1iyg h ALA 85 Ca 0.02 -0.35 0.22 0.00 0.00 0.00 0.00 54.91 54.80 1iyg h ALA 85 Cb -0.01 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1iyg h ALA 85 CO -0.00 0.28 0.61 -0.24 0.00 0.00 0.00 179.25 179.90 1iyg h VAL 86 N -1.00 0.63 0.15 0.00 3.04 -0.23 1.03 116.25 119.87 1iyg h VAL 86 Ca -0.02 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1iyg h VAL 86 Cb 0.38 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 1iyg h VAL 86 CO -0.01 0.12 -0.07 1.23 -1.01 0.00 0.00 177.57 177.82 1iyg h GLY 87 N 0.64 -0.22 0.71 3.17 0.00 0.52 -2.86 103.07 105.05 1iyg h GLY 87 Ca 0.59 0.08 0.04 0.00 0.00 0.00 0.00 47.33 48.04 1iyg h GLY 87 CO -0.38 -0.08 0.09 3.43 0.00 0.00 0.00 176.54 179.60 1iyg h ASN 88 N -0.69 0.09 -0.71 0.19 2.35 -0.62 -2.20 115.58 113.99 1iyg h ASN 88 Ca -0.02 0.04 0.15 0.00 -0.55 0.00 0.00 56.30 55.92 1iyg h ASN 88 Cb 0.50 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.77 1iyg h ASN 88 CO 0.03 0.08 -0.12 0.22 -1.65 0.00 0.00 177.43 176.00 1iyg h TYR 89 N 0.22 -0.27 -0.50 1.19 5.03 0.11 1.20 116.97 123.94 1iyg h TYR 89 Ca 0.14 0.06 0.15 0.00 2.58 0.00 0.00 58.73 61.66 1iyg h TYR 89 Cb 0.12 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 1iyg h TYR 89 CO -0.15 -0.28 0.48 -0.09 -1.32 0.00 0.00 178.16 176.80 1iyg h ARG 90 N 0.03 0.00 -0.66 1.82 1.12 -1.15 1.80 114.38 117.34 1iyg h ARG 90 Ca 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 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 -0.70 0.00 0.00 1.28 -3.11 0.00 0.00 179.97 177.44 1iyg n LEU 91 N -3.87 3.87 -0.39 3.80 4.77 0.40 -4.82 117.00 120.76 1iyg n LEU 91 Ca 0.09 -1.96 -0.05 0.00 -0.03 0.00 0.00 56.01 54.07 1iyg n LEU 91 Cb 0.68 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1iyg n LEU 91 CO 0.30 0.56 -0.05 0.29 -1.33 0.00 0.00 177.39 177.16 1iyg n LYS 92 N 0.59 -1.14 -2.77 3.23 5.02 0.61 -4.81 118.16 118.90 1iyg n LYS 92 Ca 0.19 0.56 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 1iyg n LYS 92 Cb 0.78 -4.56 -0.01 0.00 -0.02 0.00 0.00 35.03 31.22 1iyg n LYS 92 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iyg s GLU 93 N -1.97 3.89 -0.10 1.97 0.41 -0.31 -4.77 118.70 117.82 1iyg s GLU 93 Ca 0.00 -2.02 -0.15 0.00 -0.41 0.00 0.00 54.97 52.38 1iyg s GLU 93 Cb 0.00 -5.24 -0.13 0.00 -1.78 0.00 0.00 34.13 26.98 1iyg s GLU 93 CO 0.00 -1.99 0.48 1.88 -0.49 0.00 0.00 175.26 175.14 1iyg h TYR 94 N 8.00 -0.06 0.00 1.61 0.05 -1.86 -2.58 116.97 122.13 1iyg h TYR 94 Ca 0.31 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1iyg h TYR 94 Cb 0.92 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1iyg h TYR 94 CO 1.25 0.41 0.00 0.39 -1.05 0.00 0.00 178.16 179.15 1iyg n GLU 95 N -4.76 0.00 0.06 4.88 1.02 -1.26 0.84 120.64 121.42 1iyg n GLU 95 Ca -0.05 0.76 -0.11 0.00 -0.02 0.00 0.00 57.16 57.73 1iyg n GLU 95 Cb 0.24 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.40 -0.12 3.49 6.56 -1.98 0.01 116.57 124.14 1iyg h LYS 96 Ca 0.00 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1iyg h LYS 96 Cb 0.00 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1iyg h LYS 96 CO 0.00 -0.26 -0.07 0.00 -2.06 0.00 0.00 179.45 177.06 1iyg n ALA 97 N -2.70 -0.08 0.00 3.86 0.00 -0.15 0.11 120.51 121.57 1iyg n ALA 97 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1iyg n ALA 97 Cb 0.30 0.38 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.29 -1.41 0.00 -0.00 0.70 1.69 115.31 114.99 1iyg h LEU 98 Ca 0.02 0.15 0.44 0.00 -0.00 0.00 0.00 57.88 58.49 1iyg h LEU 98 Cb 0.05 0.50 -0.09 0.00 -0.00 0.00 0.00 40.66 41.12 1iyg h LEU 98 CO -0.11 -0.37 0.97 1.17 -0.00 0.00 0.00 178.44 180.09 1iyg n LYS 99 N -4.72 -0.02 -0.03 1.13 3.00 -0.03 0.22 118.16 117.70 1iyg n LYS 99 Ca -0.05 1.00 -0.22 0.00 -0.00 0.00 0.00 58.31 59.04 1iyg n LYS 99 Cb 0.29 -2.11 -0.13 0.00 0.00 0.00 0.00 35.03 33.08 1iyg n LYS 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1iyg n TYR 100 N -4.04 1.16 -0.02 5.64 4.01 0.14 -3.04 117.16 121.01 1iyg n TYR 100 Ca 0.36 0.32 -0.11 0.00 -0.16 0.00 0.00 57.90 58.31 1iyg n TYR 100 Cb 1.51 -1.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 1iyg n TYR 100 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iyg h VAL 101 N -0.30 1.11 -0.80 -0.72 2.07 1.35 -0.29 116.25 118.67 1iyg h VAL 101 Ca -0.41 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1iyg h VAL 101 Cb 1.79 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1iyg h VAL 101 CO -0.02 0.10 0.44 0.03 0.02 0.00 0.00 177.57 178.14 1iyg h ARG 102 N 0.08 1.10 0.00 1.57 2.47 0.24 0.46 114.38 120.30 1iyg h ARG 102 Ca 0.04 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1iyg h ARG 102 Cb 0.10 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1iyg h ARG 102 CO -0.01 0.80 0.00 0.41 0.56 0.00 0.00 179.97 181.73 1iyg n GLY 103 N -1.20 -1.03 0.26 0.04 0.00 -0.97 -2.74 105.19 99.55 1iyg n GLY 103 Ca 0.08 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.24 1.82 -0.24 0.99 -0.00 0.06 -4.43 117.00 113.96 1iyg n LEU 104 Ca 0.13 0.23 0.18 0.00 -0.00 0.00 0.00 56.01 56.55 1iyg n LEU 104 Cb 0.18 -0.70 0.49 0.00 -0.00 0.00 0.00 43.42 43.39 1iyg n LEU 104 CO 0.18 0.54 1.22 -0.07 -0.00 0.00 0.00 177.39 179.25 1iyg h LEU 105 N -0.73 0.45 -0.14 -1.96 -0.00 -0.20 0.23 115.31 112.94 1iyg h LEU 105 Ca -0.58 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.35 1iyg h LEU 105 Cb 1.55 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 42.15 1iyg h LEU 105 CO -0.32 0.19 -0.14 1.56 -0.00 0.00 0.00 178.44 179.73 1iyg h GLN 106 N 0.45 -0.06 0.00 1.13 1.08 -1.73 1.51 115.11 117.49 1iyg h GLN 106 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1iyg h GLN 106 Cb 1.07 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1iyg h GLN 106 CO -0.18 -0.04 0.00 -2.37 -0.95 0.00 0.00 178.83 175.29 1iyg n THR 107 N -3.41 0.10 -3.18 -0.54 5.66 -0.92 -3.83 114.28 108.18 1iyg n THR 107 Ca -0.00 0.03 -0.23 0.00 -3.05 0.00 0.00 64.05 60.79 1iyg n THR 107 Cb 0.08 -0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 68.25 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 -1.42 1.58 0.06 1.09 -0.58 0.75 -4.89 120.64 117.23 1iyg n GLU 108 Ca 0.09 -3.82 -0.12 0.00 -0.42 0.00 0.00 57.16 52.89 1iyg n GLU 108 Cb 0.28 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 3.45 0.39 -0.08 3.49 0.13 0.19 -3.18 132.00 136.38 1iyg h PRO 109 Ca 0.11 -0.38 -0.16 0.00 -0.87 0.00 0.00 66.00 64.71 1iyg h PRO 109 Cb 0.81 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1iyg h PRO 109 CO 0.60 1.04 -0.63 -0.56 -0.23 0.00 0.00 178.00 178.23 1iyg h GLN 110 N 0.24 0.30 -6.14 0.86 3.07 -1.90 -3.44 115.11 108.10 1iyg h GLN 110 Ca -0.06 -0.22 -0.72 0.00 0.09 0.00 0.00 58.65 57.74 1iyg h GLN 110 Cb 1.47 0.04 0.01 0.00 0.08 0.00 0.00 27.48 29.07 1iyg h GLN 110 CO 0.15 0.83 0.98 -1.71 0.09 0.00 0.00 178.83 179.17 1iyg n ASN 111 N -3.87 2.46 -0.03 0.06 2.85 -1.20 -4.85 115.26 110.68 1iyg n ASN 111 Ca -0.03 1.00 -0.11 0.00 -0.11 0.00 0.00 54.58 55.33 1iyg n ASN 111 Cb 0.64 -1.17 -0.09 0.00 1.24 0.00 0.00 39.78 40.40 1iyg n ASN 111 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1iyg h ASN 112 N 7.94 -0.04 -0.88 1.20 4.21 -1.88 -2.56 115.58 123.56 1iyg h ASN 112 Ca -0.44 -0.62 0.20 0.00 1.21 0.00 0.00 56.30 56.64 1iyg h ASN 112 Cb 1.32 0.01 -0.17 0.00 -1.12 0.00 0.00 38.32 38.36 1iyg h ASN 112 CO 0.97 0.71 -0.15 0.00 -1.29 0.00 0.00 177.43 177.67 1iyg n GLN 113 N -4.74 -0.08 0.16 0.81 3.00 -1.26 0.29 117.38 115.56 1iyg n GLN 113 Ca -0.08 1.36 -0.13 0.00 -0.01 0.00 0.00 57.00 58.15 1iyg n GLN 113 Cb 0.32 -2.07 -0.08 0.00 0.00 0.00 0.00 30.24 28.41 1iyg n GLN 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iyg h ALA 114 N 1.77 -0.43 -1.00 -1.58 0.00 -1.91 -2.14 119.26 113.96 1iyg h ALA 114 Ca 0.46 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1iyg h ALA 114 Cb 0.78 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 1iyg h ALA 114 CO -0.89 -0.54 -0.51 0.87 0.00 0.00 0.00 179.25 178.18 1iyg h LYS 115 N -0.82 -0.00 0.16 0.00 1.57 0.27 0.17 116.57 117.92 1iyg h LYS 115 Ca -0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1iyg h LYS 115 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1iyg h LYS 115 CO 0.07 -0.00 -0.44 0.93 -0.57 0.00 0.00 179.45 179.44 1iyg h GLU 116 N -0.00 -0.68 -0.66 3.15 5.08 -0.44 -2.16 114.58 118.87 1iyg h GLU 116 Ca 0.23 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1iyg h GLU 116 Cb 0.48 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1iyg h GLU 116 CO -0.96 -0.45 -0.39 -0.11 -1.00 0.00 0.00 179.01 176.10 1iyg n LEU 117 N -5.48 -0.70 -0.33 1.33 0.00 0.39 0.21 117.00 112.42 1iyg n LEU 117 Ca -0.08 1.48 -0.04 0.00 0.00 0.00 0.00 56.01 57.37 1iyg n LEU 117 Cb 0.39 -0.31 0.01 0.00 0.00 0.00 0.00 43.42 43.51 1iyg n LEU 117 CO 0.20 -1.11 0.58 -0.08 0.00 0.00 0.00 177.39 176.98 1iyg h GLU 118 N 0.00 -0.06 -0.66 1.96 4.22 -0.65 0.93 114.58 120.32 1iyg h GLU 118 Ca 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.51 1iyg h GLU 118 Cb 0.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1iyg h GLU 118 CO -0.62 -0.04 0.26 0.00 -2.18 0.00 0.00 179.01 176.44 1iyg h ARG 119 N -0.06 0.97 0.59 1.92 3.08 0.24 0.00 114.38 121.13 1iyg h ARG 119 Ca 0.28 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1iyg h ARG 119 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1iyg h ARG 119 CO -0.89 0.80 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.36 1iyg h LEU 120 N 0.95 -0.97 -0.51 3.04 3.38 0.94 -2.23 115.31 119.91 1iyg h LEU 120 Ca 0.22 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1iyg h LEU 120 Cb 0.19 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1iyg h LEU 120 CO -0.02 -0.57 0.06 0.40 0.09 0.00 0.00 178.44 178.40 1iyg h ILE 121 N -0.91 0.66 -1.10 1.22 2.04 -0.04 0.23 117.51 119.61 1iyg h ILE 121 Ca -0.08 -0.06 0.39 0.00 1.00 0.00 0.00 64.86 66.11 1iyg h ILE 121 Cb 0.74 0.46 -0.15 0.00 -0.74 0.00 0.00 36.82 37.12 1iyg h ILE 121 CO 0.07 0.03 0.65 -0.78 0.00 0.00 0.00 178.15 178.12 1iyg h ASP 122 N 0.19 0.37 0.10 1.72 1.82 -0.71 0.37 116.42 120.27 1iyg h ASP 122 Ca 0.26 0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1iyg h ASP 122 Cb 0.38 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1iyg h ASP 122 CO -0.38 -0.25 -0.05 0.11 -1.61 0.00 0.00 179.24 177.07 1iyg h LYS 123 N 0.14 -0.12 -0.96 0.28 1.57 -0.01 -3.21 116.57 114.26 1iyg h LYS 123 Ca 0.80 0.01 0.37 0.00 -1.87 0.00 0.00 60.65 59.96 1iyg h LYS 123 Cb 2.14 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 34.30 1iyg h LYS 123 CO -0.60 0.16 0.40 0.00 -0.57 0.00 0.00 179.45 178.84 1iyg n ALA 124 N -2.71 0.87 0.01 3.86 0.00 0.46 0.17 120.51 123.18 1iyg n ALA 124 Ca -0.04 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.28 1iyg n ALA 124 Cb 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1iyg n ALA 124 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1iyg h MET 125 N 0.00 -0.01 -1.79 0.00 2.86 -0.48 -2.11 114.93 113.40 1iyg h MET 125 Ca 0.76 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 58.06 1iyg h MET 125 Cb 1.94 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 33.47 1iyg h MET 125 CO -0.78 -0.00 0.28 1.63 1.06 0.00 0.00 176.91 179.09 1iyg n LYS 126 N -5.14 1.98 0.09 1.72 4.76 0.44 -3.99 118.16 118.03 1iyg n LYS 126 Ca -0.05 -1.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.73 1iyg n LYS 126 Cb 0.07 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 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 0.89 0.00 -3.17 1.97 5.02 -0.82 -4.98 118.16 117.07 1iyg n LYS 127 Ca 0.36 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 1iyg n LYS 127 Cb 0.60 -0.06 0.02 0.00 -0.02 0.00 0.00 35.03 35.57 1iyg n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1iyg n SER 128 N -3.21 -6.70 -1.70 4.39 7.64 -1.03 -5.01 113.62 108.02 1iyg n SER 128 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1iyg n SER 128 Cb 0.00 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1iyg n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyg n GLY 129 N 0.14 0.73 3.80 0.23 0.00 -1.26 -5.04 105.19 103.79 1iyg n GLY 129 Ca -0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 1.91 -0.11 1.61 0.04 -1.26 -4.98 135.00 132.21 1iyg s PRO 130 Ca 0.00 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1iyg s PRO 130 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1iyg s PRO 130 CO 0.00 -1.73 1.28 -1.12 0.04 0.00 0.00 177.00 175.47 1iyg s SER 131 N -3.92 6.95 0.20 6.66 0.01 -1.26 -4.56 113.70 117.78 1iyg s SER 131 Ca 0.61 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1iyg s SER 131 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1iyg s SER 131 CO 0.54 -0.71 0.00 -0.24 0.41 0.00 0.00 173.24 173.24 1iyg n SER 132 N 6.08 -1.77 0.00 2.44 2.88 -1.26 -5.30 113.62 116.68 1iyg n SER 132 Ca 0.13 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1iyg n SER 132 Cb 0.45 1.88 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 1iyg n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42