#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iyb s GLU 3 N 0.00 0.81 -0.01 1.43 2.12 -1.26 -2.64 118.70 119.15 2iyb s GLU 3 Ca 0.00 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.42 2iyb s GLU 3 Cb 0.00 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2iyb s GLU 3 CO 0.00 0.18 0.08 1.14 -0.54 0.00 0.00 175.26 176.12 2iyb s GLN 4 N -1.55 0.27 -0.13 4.30 -2.07 -0.65 -4.95 119.66 114.87 2iyb s GLN 4 Ca -0.02 -0.19 -0.29 0.00 -1.82 0.00 0.00 55.36 53.03 2iyb s GLN 4 Cb -0.09 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 2iyb s GLN 4 CO 0.02 -0.05 1.20 0.45 -1.32 0.00 0.00 175.29 175.59 2iyb s SER 5 N -0.72 7.02 0.08 12.60 0.15 -1.26 -0.48 113.70 131.08 2iyb s SER 5 Ca -0.08 1.68 0.23 0.00 0.70 0.00 0.00 55.95 58.48 2iyb s SER 5 Cb -0.05 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.83 2iyb s SER 5 CO 0.00 -0.67 1.09 2.30 1.20 0.00 0.00 173.24 177.16 2iyb n ILE 6 N 5.07 0.24 -3.77 6.45 -5.35 -0.26 -4.95 119.36 116.79 2iyb n ILE 6 Ca 0.12 -0.28 -0.07 0.00 -0.27 0.00 0.00 62.75 62.25 2iyb n ILE 6 Cb 0.46 0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 2iyb n ILE 6 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iyb s GLN 8 N -3.78 0.25 -0.02 0.00 0.74 -1.26 -3.29 119.66 112.30 2iyb s GLN 8 Ca 0.10 0.78 -0.04 0.00 0.05 0.00 0.00 55.36 56.25 2iyb s GLN 8 Cb -0.04 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.11 2iyb s GLN 8 CO 0.03 -0.22 0.09 0.00 -0.55 0.00 0.00 175.29 174.64 2iyb s ALA 9 N 2.00 -0.22 -0.14 1.58 0.00 -0.27 -4.90 121.76 119.81 2iyb s ALA 9 Ca -0.04 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 2iyb s ALA 9 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2iyb s ALA 9 CO -0.10 -0.10 0.94 1.03 0.00 0.00 0.00 175.76 177.54 2iyb s ARG 10 N -0.43 4.37 -0.13 0.00 0.52 -1.26 -0.84 118.95 121.18 2iyb s ARG 10 Ca -0.05 1.25 -0.26 0.00 -0.52 0.00 0.00 55.73 56.16 2iyb s ARG 10 Cb -0.03 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.94 2iyb s ARG 10 CO 0.00 -0.33 0.64 0.00 0.02 0.00 0.00 175.30 175.62 2iyb s ALA 11 N 2.12 -1.61 -0.14 2.13 0.00 -0.82 -1.79 121.76 121.64 2iyb s ALA 11 Ca 0.44 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 2iyb s ALA 11 Cb -0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2iyb s ALA 11 CO 0.15 -0.33 1.00 0.00 0.00 0.00 0.00 175.76 176.58 2iyb s ALA 12 N -0.53 3.47 -0.13 0.00 0.00 -0.55 0.02 121.76 124.05 2iyb s ALA 12 Ca -0.06 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 2iyb s ALA 12 Cb -0.02 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2iyb s ALA 12 CO 0.05 -0.70 0.65 0.08 0.00 0.00 0.00 175.76 175.84 2iyb s VAL 13 N 2.28 5.05 0.20 0.00 1.01 -1.26 -1.25 120.40 126.43 2iyb s VAL 13 Ca 0.47 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.84 2iyb s VAL 13 Cb -0.17 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2iyb s VAL 13 CO 0.15 0.20 -0.15 -0.04 0.00 0.00 0.00 175.10 175.26 2iyb s MET 14 N 1.25 1.85 0.08 2.72 -1.94 0.10 -0.80 119.30 122.57 2iyb s MET 14 Ca 0.33 -1.42 0.09 0.00 -1.71 0.00 0.00 55.69 52.97 2iyb s MET 14 Cb -0.17 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 2iyb s MET 14 CO 0.14 0.41 -0.23 0.14 -0.01 0.00 0.00 175.02 175.46 2iyb s VAL 15 N -1.83 1.89 -0.16 -6.03 -7.23 -0.19 -0.96 120.40 105.88 2iyb s VAL 15 Ca 0.25 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.73 2iyb s VAL 15 Cb -0.08 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2iyb s VAL 15 CO 0.14 0.12 0.68 -0.47 -0.31 0.00 0.00 175.10 175.26 2iyb s TYR 16 N -0.98 3.43 -0.51 2.82 5.04 -0.51 -0.49 117.35 126.15 2iyb s TYR 16 Ca 0.09 1.07 -0.27 0.00 -2.44 0.00 0.00 57.07 55.52 2iyb s TYR 16 Cb -0.10 -2.84 0.03 0.00 0.35 0.00 0.00 41.96 39.40 2iyb s TYR 16 CO 0.04 -0.12 1.07 0.34 -1.34 0.00 0.00 175.55 175.53 2iyb s ASP 17 N 1.08 6.51 0.41 4.32 -1.08 0.24 -4.65 116.67 123.51 2iyb s ASP 17 Ca 0.33 0.18 0.22 0.00 -0.52 0.00 0.00 52.55 52.76 2iyb s ASP 17 Cb -0.16 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.31 2iyb s ASP 17 CO 0.12 -1.25 1.66 0.44 0.52 0.00 0.00 175.17 176.66 2iyb h ASP 18 N 9.28 0.00 0.22 -0.34 3.32 -1.95 -0.24 116.42 126.70 2iyb h ASP 18 Ca -0.24 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.50 2iyb h ASP 18 Cb 1.07 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.65 2iyb h ASP 18 CO 1.11 0.20 -1.39 0.00 -1.72 0.00 0.00 179.24 177.44 2iyb h ALA 19 N 1.80 -0.11 -0.01 3.45 0.00 -1.96 -3.36 119.26 119.07 2iyb h ALA 19 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2iyb h ALA 19 Cb 1.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2iyb h ALA 19 CO 0.03 0.67 -0.46 0.09 0.00 0.00 0.00 179.25 179.58 2iyb n ASN 20 N -3.79 1.71 -3.59 0.00 3.02 -1.22 -4.99 115.26 106.40 2iyb n ASN 20 Ca -0.18 -1.32 -0.22 0.00 -0.03 0.00 0.00 54.58 52.84 2iyb n ASN 20 Cb 1.04 0.43 0.05 0.00 -0.61 0.00 0.00 39.78 40.69 2iyb n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2iyb n LYS 21 N -0.29 -3.77 -3.80 3.52 4.76 -0.13 -5.03 118.16 113.42 2iyb n LYS 21 Ca 0.10 0.65 -0.10 0.00 -2.87 0.00 0.00 58.31 56.09 2iyb n LYS 21 Cb 0.43 -5.14 -0.07 0.00 -1.84 0.00 0.00 35.03 28.41 2iyb n LYS 21 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2iyb s LYS 22 N -5.62 0.83 0.15 1.97 -2.85 -1.01 -5.00 119.74 108.21 2iyb s LYS 22 Ca 0.19 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 2iyb s LYS 22 Cb -0.05 0.35 -0.07 0.00 -2.06 0.00 0.00 37.83 36.00 2iyb s LYS 22 CO 0.80 -0.27 1.00 -1.58 0.10 0.00 0.00 175.35 175.41 2iyb s TRP 23 N -3.28 3.77 0.15 1.78 0.52 -1.26 0.81 118.94 121.43 2iyb s TRP 23 Ca 0.00 1.75 0.06 0.00 0.02 0.00 0.00 56.10 57.94 2iyb s TRP 23 Cb 0.02 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2iyb s TRP 23 CO -0.08 -0.02 -0.14 0.14 0.02 0.00 0.00 176.95 176.87 2iyb s VAL 24 N -0.23 1.47 0.29 4.03 -7.23 0.36 -4.88 120.40 114.22 2iyb s VAL 24 Ca 0.47 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 2iyb s VAL 24 Cb -0.26 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 2iyb s VAL 24 CO 0.32 -0.50 1.43 -2.84 -0.31 0.00 0.00 175.10 173.19 2iyb s PRO 25 N -3.12 4.25 0.08 4.82 0.02 -1.26 -1.03 135.00 138.76 2iyb s PRO 25 Ca 0.15 2.35 -0.31 0.00 0.02 0.00 0.00 61.00 63.20 2iyb s PRO 25 Cb -0.03 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.35 2iyb s PRO 25 CO 0.04 -0.40 1.34 0.00 -0.33 0.00 0.00 177.00 177.65 2iyb s ALA 26 N -0.45 3.53 0.00 -1.55 0.00 0.02 -2.82 121.76 120.49 2iyb s ALA 26 Ca 0.56 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2iyb s ALA 26 Cb -0.43 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2iyb s ALA 26 CO 0.49 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2iyb n GLY 27 N 3.45 0.98 2.52 0.00 0.00 -1.26 -4.02 105.19 106.85 2iyb n GLY 27 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2iyb n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iyb n GLY 28 N -2.00 3.12 3.66 -0.02 0.00 -1.13 -5.02 105.19 103.81 2iyb n GLY 28 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2iyb n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iyb s SER 29 N -0.83 6.25 0.66 1.61 1.04 -1.26 -4.90 113.70 116.27 2iyb s SER 29 Ca 0.00 0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 2iyb s SER 29 Cb 0.00 -2.16 -0.00 0.00 0.10 0.00 0.00 66.02 63.96 2iyb s SER 29 CO 0.00 -0.02 1.12 0.42 0.98 0.00 0.00 173.24 175.74 2iyb s THR 30 N 1.28 3.14 0.00 2.02 -4.23 -1.26 -4.65 115.64 111.94 2iyb s THR 30 Ca 0.13 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2iyb s THR 30 Cb -0.14 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2iyb s THR 30 CO 0.07 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2iyb n GLY 31 N -0.37 3.18 3.82 3.99 0.00 -1.26 -5.09 105.19 109.45 2iyb n GLY 31 Ca 0.11 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2iyb n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iyb s PHE 32 N -2.93 3.22 0.30 1.61 0.08 -1.26 -4.53 117.98 114.46 2iyb s PHE 32 Ca 0.00 1.58 0.11 0.00 0.12 0.00 0.00 56.93 58.74 2iyb s PHE 32 Cb 0.00 -2.91 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 2iyb s PHE 32 CO 0.00 -0.40 -0.16 -1.12 -0.10 0.00 0.00 175.22 173.44 2iyb s SER 33 N -2.26 3.65 -0.33 1.36 0.01 0.10 -1.96 113.70 114.27 2iyb s SER 33 Ca 0.63 -1.09 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2iyb s SER 33 Cb -0.12 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 2iyb s SER 33 CO 0.18 -0.05 0.40 -0.60 0.41 0.00 0.00 173.24 173.58 2iyb s ARG 34 N -3.55 3.65 -0.21 12.44 6.06 -0.14 -1.95 118.95 135.25 2iyb s ARG 34 Ca 0.31 -0.28 -0.04 0.00 -2.50 0.00 0.00 55.73 53.22 2iyb s ARG 34 Cb -0.02 -3.78 -0.01 0.00 0.06 0.00 0.00 34.95 31.19 2iyb s ARG 34 CO 0.16 -0.51 -0.04 0.08 -2.50 0.00 0.00 175.30 172.49 2iyb s VAL 35 N 2.11 3.53 0.11 7.11 1.01 -0.02 -1.66 120.40 132.58 2iyb s VAL 35 Ca 0.14 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2iyb s VAL 35 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2iyb s VAL 35 CO 0.12 0.43 0.01 -1.00 0.00 0.00 0.00 175.10 174.66 2iyb s HIS 36 N 1.26 2.99 -0.26 5.22 3.76 0.13 -1.12 115.29 127.28 2iyb s HIS 36 Ca 0.03 -0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 54.80 2iyb s HIS 36 Cb -0.14 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 2iyb s HIS 36 CO -0.01 0.49 0.16 0.42 -0.85 0.00 0.00 174.74 174.94 2iyb s ILE 37 N -1.40 5.11 -0.14 0.60 1.01 -1.21 -0.38 121.20 124.80 2iyb s ILE 37 Ca 0.26 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 2iyb s ILE 37 Cb -0.11 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2iyb s ILE 37 CO 0.19 0.30 0.15 -0.31 0.00 0.00 0.00 174.94 175.27 2iyb s TYR 38 N 1.51 3.55 -0.27 3.97 2.02 0.12 -1.11 117.35 127.15 2iyb s TYR 38 Ca 0.07 0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 57.18 2iyb s TYR 38 Cb -0.15 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2iyb s TYR 38 CO 0.08 0.60 0.10 -1.58 -1.57 0.00 0.00 175.55 173.18 2iyb s HIS 39 N -0.62 3.12 -0.65 2.71 5.65 0.37 -1.55 115.29 124.32 2iyb s HIS 39 Ca 0.13 -0.48 -0.26 0.00 0.25 0.00 0.00 55.06 54.70 2iyb s HIS 39 Cb -0.12 -2.28 0.04 0.00 -1.18 0.00 0.00 32.58 29.04 2iyb s HIS 39 CO 0.03 -0.39 1.14 -1.58 -0.65 0.00 0.00 174.74 173.29 2iyb s HIS 40 N 1.61 2.53 -0.11 3.88 2.46 0.52 -1.64 115.29 124.54 2iyb s HIS 40 Ca 0.06 0.01 0.23 0.00 0.47 0.00 0.00 55.06 55.83 2iyb s HIS 40 Cb -0.16 -4.44 0.63 0.00 -0.13 0.00 0.00 32.58 28.48 2iyb s HIS 40 CO 0.05 -1.74 1.70 1.79 -2.47 0.00 0.00 174.74 174.07 2iyb h THR 41 N 6.06 0.37 0.04 0.89 1.35 -1.79 0.50 112.91 120.32 2iyb h THR 41 Ca -0.27 -1.24 -0.23 0.00 -0.55 0.00 0.00 66.41 64.12 2iyb h THR 41 Cb 1.06 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 2iyb h THR 41 CO 1.20 0.18 -1.09 1.23 -0.25 0.00 0.00 175.52 176.80 2iyb h GLY 42 N 2.96 0.09 0.00 5.82 0.00 -1.90 -3.33 103.07 106.70 2iyb h GLY 42 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2iyb h GLY 42 CO 0.02 0.19 -1.11 0.70 0.00 0.00 0.00 176.54 176.35 2iyb n ASN 43 N -3.39 0.85 -3.53 0.19 3.02 -1.16 -5.02 115.26 106.23 2iyb n ASN 43 Ca -0.03 -0.64 -0.19 0.00 -0.03 0.00 0.00 54.58 53.69 2iyb n ASN 43 Cb 0.97 1.24 0.07 0.00 -0.61 0.00 0.00 39.78 41.45 2iyb n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2iyb n ASN 44 N -1.62 -2.55 -4.41 6.41 5.15 0.17 -5.04 115.26 113.37 2iyb n ASN 44 Ca 0.01 -0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 53.13 2iyb n ASN 44 Cb 0.33 -4.86 -0.10 0.00 -0.53 0.00 0.00 39.78 34.62 2iyb n ASN 44 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2iyb s THR 45 N -3.41 2.01 0.15 -0.44 -4.23 -1.01 -4.97 115.64 103.74 2iyb s THR 45 Ca 0.10 -2.27 0.08 0.00 -1.18 0.00 0.00 61.69 58.43 2iyb s THR 45 Cb -0.05 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2iyb s THR 45 CO 0.75 -0.47 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.82 2iyb s PHE 46 N -2.80 1.82 -0.17 3.99 0.08 -1.26 -0.36 117.98 119.28 2iyb s PHE 46 Ca 0.27 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 2iyb s PHE 46 Cb -0.01 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.56 2iyb s PHE 46 CO 0.11 0.30 0.43 0.50 -0.10 0.00 0.00 175.22 176.46 2iyb s ARG 47 N -2.60 0.45 -0.24 0.44 3.52 -0.60 -1.09 118.95 118.84 2iyb s ARG 47 Ca 0.14 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.32 2iyb s ARG 47 Cb -0.07 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 2iyb s ARG 47 CO 0.06 -0.12 0.38 0.08 -0.81 0.00 0.00 175.30 174.90 2iyb s VAL 48 N 0.94 5.19 -0.10 7.11 1.01 0.12 0.15 120.40 134.82 2iyb s VAL 48 Ca -0.06 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2iyb s VAL 48 Cb -0.06 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2iyb s VAL 48 CO -0.08 0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.45 2iyb s VAL 49 N 1.72 1.03 -0.03 2.92 1.01 0.49 -0.77 120.40 126.78 2iyb s VAL 49 Ca 0.17 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2iyb s VAL 49 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2iyb s VAL 49 CO 0.09 0.36 -0.26 -0.83 0.00 0.00 0.00 175.10 174.46 2iyb s GLY 50 N 1.40 1.28 -0.06 4.51 0.00 -0.24 0.22 107.32 114.43 2iyb s GLY 50 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.63 2iyb s GLY 50 CO -0.05 -0.86 -0.09 0.50 0.00 0.00 0.00 173.10 172.61 2iyb s ARG 51 N -0.50 1.32 0.26 2.90 0.52 -0.66 -1.50 118.95 121.29 2iyb s ARG 51 Ca 0.07 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 2iyb s ARG 51 Cb -0.11 -1.16 -0.13 0.00 0.52 0.00 0.00 34.95 34.07 2iyb s ARG 51 CO 0.00 -0.02 1.32 1.63 0.02 0.00 0.00 175.30 178.25 2iyb n LYS 52 N 3.91 1.89 0.19 3.54 4.76 0.37 -0.97 118.16 131.85 2iyb n LYS 52 Ca -0.24 0.67 0.06 0.00 -2.87 0.00 0.00 58.31 55.93 2iyb n LYS 52 Cb 0.51 -2.27 0.32 0.00 -1.84 0.00 0.00 35.03 31.75 2iyb n LYS 52 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2iyb h ILE 53 N 2.80 0.87 0.01 -0.18 2.04 -1.73 0.27 117.51 121.59 2iyb h ILE 53 Ca -0.44 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 63.83 2iyb h ILE 53 Cb 1.29 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2iyb h ILE 53 CO 0.71 0.37 -0.10 -0.61 0.00 0.00 0.00 178.15 178.52 2iyb h GLN 54 N 0.00 0.06 0.00 2.37 5.75 -1.90 -3.41 115.11 117.97 2iyb h GLN 54 Ca -0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2iyb h GLN 54 Cb 0.93 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.50 2iyb h GLN 54 CO 0.05 0.91 0.00 -0.40 -2.65 0.00 0.00 178.83 176.74 2iyb n ASP 55 N -4.60 0.92 -0.41 -0.69 5.75 -1.24 -5.02 116.55 111.26 2iyb n ASP 55 Ca -0.10 -1.23 -0.05 0.00 -0.01 0.00 0.00 54.79 53.39 2iyb n ASP 55 Cb 0.47 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 2iyb n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2iyb n HIS 56 N -0.12 0.00 -1.68 2.11 8.25 0.94 -4.94 115.22 119.79 2iyb n HIS 56 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 2iyb n HIS 56 Cb 0.16 -1.95 -0.04 0.00 1.12 0.00 0.00 29.99 29.28 2iyb n HIS 56 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2iyb n GLN 57 N -0.81 2.30 -2.18 -0.41 7.27 -1.26 -4.33 117.38 117.96 2iyb n GLN 57 Ca -0.05 0.83 -0.43 0.00 0.07 0.00 0.00 57.00 57.42 2iyb n GLN 57 Cb 0.43 -2.64 -0.02 0.00 2.41 0.00 0.00 30.24 30.42 2iyb n GLN 57 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2iyb s VAL 58 N 1.77 3.79 -0.16 1.69 1.01 -1.26 -0.47 120.40 126.76 2iyb s VAL 58 Ca 0.81 0.88 0.13 0.00 0.00 0.00 0.00 61.98 63.81 2iyb s VAL 58 Cb -0.64 -3.82 -0.19 0.00 0.00 0.00 0.00 36.38 31.73 2iyb s VAL 58 CO 0.40 -0.36 0.36 1.33 0.00 0.00 0.00 175.10 176.83 2iyb n VAL 59 N 6.44 0.00 -3.73 2.92 0.24 -0.56 -4.95 118.33 118.69 2iyb n VAL 59 Ca 0.18 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 2iyb n VAL 59 Cb 0.46 0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 33.09 2iyb n VAL 59 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2iyb s ILE 60 N -2.75 -0.05 -0.38 1.34 2.07 -1.22 -4.42 121.20 115.79 2iyb s ILE 60 Ca -0.02 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 2iyb s ILE 60 Cb 0.09 -0.38 0.15 0.00 0.13 0.00 0.00 42.46 42.45 2iyb s ILE 60 CO 0.55 0.06 0.27 0.21 -1.91 0.00 0.00 174.94 174.12 2iyb s ASN 61 N 1.30 2.31 -0.13 4.50 2.47 -1.24 -1.08 114.94 123.06 2iyb s ASN 61 Ca -0.09 -2.56 0.01 0.00 0.42 0.00 0.00 52.86 50.64 2iyb s ASN 61 Cb -0.10 -0.42 0.02 0.00 -1.45 0.00 0.00 41.25 39.30 2iyb s ASN 61 CO -0.08 -0.25 -0.15 0.00 -3.72 0.00 0.00 177.10 172.90 2iyb s ALA 63 N 1.27 2.37 -0.56 0.00 0.00 -1.26 0.15 121.76 123.73 2iyb s ALA 63 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 2iyb s ALA 63 Cb -0.14 -3.42 0.15 0.00 0.00 0.00 0.00 23.12 19.71 2iyb s ALA 63 CO -0.07 -1.44 0.38 0.42 0.00 0.00 0.00 175.76 175.05 2iyb s ILE 64 N -1.92 3.72 0.78 0.00 1.01 -0.25 -4.77 121.20 119.77 2iyb s ILE 64 Ca 0.74 -2.60 -0.11 0.00 0.00 0.00 0.00 60.65 58.68 2iyb s ILE 64 Cb -0.27 -3.45 0.06 0.00 0.01 0.00 0.00 42.46 38.80 2iyb s ILE 64 CO 0.39 -0.83 1.08 -2.16 0.00 0.00 0.00 174.94 173.43 2iyb s PRO 65 N 0.39 2.22 0.45 2.79 0.04 -1.26 -4.45 135.00 135.18 2iyb s PRO 65 Ca 0.14 0.97 0.31 0.00 0.04 0.00 0.00 61.00 62.45 2iyb s PRO 65 Cb -0.21 -1.91 1.32 0.00 0.04 0.00 0.00 34.50 33.74 2iyb s PRO 65 CO -0.04 -1.61 1.91 1.57 0.04 0.00 0.00 177.00 178.87 2iyb h LYS 66 N -1.10 0.00 -0.58 4.56 2.10 -1.94 -2.80 116.57 116.82 2iyb h LYS 66 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2iyb h LYS 66 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2iyb h LYS 66 CO 0.55 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.41 2iyb n GLY 67 N -0.13 1.75 3.71 0.07 0.00 -1.26 -4.88 105.19 104.45 2iyb n GLY 67 Ca 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2iyb n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iyb s LEU 68 N -1.13 4.37 -0.60 0.99 0.20 -1.06 -4.96 118.68 116.49 2iyb s LEU 68 Ca 0.38 2.56 -0.17 0.00 0.69 0.00 0.00 54.13 57.59 2iyb s LEU 68 Cb 0.21 -3.59 0.13 0.00 -0.43 0.00 0.00 46.19 42.52 2iyb s LEU 68 CO 0.24 -0.82 0.62 -0.54 -0.29 0.00 0.00 176.35 175.56 2iyb s LYS 69 N 1.44 3.10 -0.32 1.98 3.01 -1.26 -5.04 119.74 122.65 2iyb s LYS 69 Ca 0.70 -1.68 -0.22 0.00 -1.01 0.00 0.00 55.97 53.77 2iyb s LYS 69 Cb -0.42 -4.32 -0.00 0.00 -1.01 0.00 0.00 37.83 32.07 2iyb s LYS 69 CO 0.31 -1.41 0.70 -0.47 0.51 0.00 0.00 175.35 174.99 2iyb s TYR 70 N 1.80 3.19 -0.26 3.18 5.04 -1.26 -4.25 117.35 124.79 2iyb s TYR 70 Ca 0.08 0.61 -0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2iyb s TYR 70 Cb -0.25 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 38.91 2iyb s TYR 70 CO 0.02 -0.56 0.05 1.21 -1.34 0.00 0.00 175.55 174.93 2iyb s ASN 71 N 1.68 4.93 -1.27 4.32 2.47 0.12 -4.99 114.94 122.21 2iyb s ASN 71 Ca 0.28 -0.40 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 2iyb s ASN 71 Cb -0.14 -1.87 0.17 0.00 -1.45 0.00 0.00 41.25 37.96 2iyb s ASN 71 CO 0.13 -0.08 1.92 0.00 -3.72 0.00 0.00 177.10 175.36 2iyb n GLN 72 N 4.88 3.86 -0.09 0.43 6.02 -1.26 -0.06 117.38 131.16 2iyb n GLN 72 Ca -0.16 -3.61 -0.08 0.00 -0.01 0.00 0.00 57.00 53.13 2iyb n GLN 72 Cb 0.50 -2.84 -0.06 0.00 1.02 0.00 0.00 30.24 28.86 2iyb n GLN 72 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iyb h ALA 73 N 5.52 -0.59 -4.60 -1.58 0.00 -1.85 -3.42 119.26 112.74 2iyb h ALA 73 Ca 0.43 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 2iyb h ALA 73 Cb 0.57 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2iyb h ALA 73 CO 1.58 -0.75 -0.12 0.25 0.00 0.00 0.00 179.25 180.21 2iyb n THR 74 N -4.33 0.00 0.18 0.00 -2.24 -0.75 -5.01 114.28 102.13 2iyb n THR 74 Ca -0.02 -0.82 0.05 0.00 -2.27 0.00 0.00 64.05 60.99 2iyb n THR 74 Cb 0.21 -0.19 0.27 0.00 -2.10 0.00 0.00 70.33 68.52 2iyb n THR 74 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2iyb h GLN 75 N 0.00 0.00 -0.00 -0.78 4.20 -2.02 -3.30 115.11 113.20 2iyb h GLN 75 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2iyb h GLN 75 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2iyb h GLN 75 CO 0.22 0.40 0.00 0.25 -0.67 0.00 0.00 178.83 179.03 2iyb n THR 76 N -3.45 0.32 -4.00 -0.54 -2.24 -1.26 -4.78 114.28 98.33 2iyb n THR 76 Ca 0.00 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 2iyb n THR 76 Cb 0.56 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 69.47 2iyb n THR 76 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2iyb s PHE 77 N -0.34 2.26 0.08 4.78 5.36 -1.24 -0.35 117.98 128.52 2iyb s PHE 77 Ca 0.01 -1.40 0.09 0.00 -0.96 0.00 0.00 56.93 54.66 2iyb s PHE 77 Cb 0.00 -1.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 2iyb s PHE 77 CO 0.01 -0.70 -0.23 -1.01 -1.46 0.00 0.00 175.22 171.83 2iyb s HIS 78 N 1.45 2.43 0.14 10.12 3.76 -0.64 -1.82 115.29 130.72 2iyb s HIS 78 Ca 0.01 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 2iyb s HIS 78 Cb -0.15 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 2iyb s HIS 78 CO -0.09 0.26 0.07 1.14 -0.85 0.00 0.00 174.74 175.27 2iyb s GLN 79 N -1.65 0.95 -0.05 1.40 -2.07 0.92 0.66 119.66 119.82 2iyb s GLN 79 Ca 0.14 -1.43 -0.29 0.00 -1.82 0.00 0.00 55.36 51.96 2iyb s GLN 79 Cb -0.10 0.25 0.09 0.00 -1.09 0.00 0.00 33.01 32.16 2iyb s GLN 79 CO 0.05 -0.28 0.78 1.67 -1.32 0.00 0.00 175.29 176.20 2iyb s TRP 80 N -4.05 -0.53 0.11 9.60 -2.14 -0.55 0.15 118.94 121.54 2iyb s TRP 80 Ca 0.24 0.79 -0.15 0.00 2.66 0.00 0.00 56.10 59.64 2iyb s TRP 80 Cb 0.07 0.45 -0.07 0.00 -3.10 0.00 0.00 33.47 30.83 2iyb s TRP 80 CO 0.02 -0.56 0.52 0.50 -2.66 0.00 0.00 176.95 174.78 2iyb s ARG 81 N -1.69 3.99 -0.28 3.25 3.52 -1.26 -0.70 118.95 125.77 2iyb s ARG 81 Ca -0.05 0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2iyb s ARG 81 Cb -0.00 -3.03 0.12 0.00 -1.56 0.00 0.00 34.95 30.48 2iyb s ARG 81 CO 0.03 0.54 0.25 0.34 -0.81 0.00 0.00 175.30 175.64 2iyb s ASP 82 N -1.54 2.15 0.00 -2.12 2.15 -0.04 -4.71 116.67 112.55 2iyb s ASP 82 Ca 0.34 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2iyb s ASP 82 Cb -0.16 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 2iyb s ASP 82 CO 0.18 -0.40 0.00 0.00 -0.17 0.00 0.00 175.17 174.78 2iyb n ALA 83 N 5.30 0.00 -0.08 3.66 0.00 -1.26 -0.72 120.51 127.40 2iyb n ALA 83 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2iyb n ALA 83 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2iyb n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2iyb n ARG 84 N 0.00 0.00 -3.93 0.00 5.12 -1.26 -4.96 116.66 111.62 2iyb n ARG 84 Ca 0.00 0.84 -0.11 0.00 -1.93 0.00 0.00 57.85 56.65 2iyb n ARG 84 Cb 0.00 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 29.83 2iyb n ARG 84 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2iyb s GLN 85 N -2.84 1.98 -0.21 5.56 -2.07 0.10 -5.13 119.66 117.04 2iyb s GLN 85 Ca 0.00 -1.47 -0.19 0.00 -1.82 0.00 0.00 55.36 51.88 2iyb s GLN 85 Cb 0.00 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 2iyb s GLN 85 CO 0.00 -0.88 0.56 0.08 -1.32 0.00 0.00 175.29 173.73 2iyb s VAL 86 N -2.99 5.07 0.10 3.63 1.01 -1.26 -0.86 120.40 125.09 2iyb s VAL 86 Ca 0.21 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 2iyb s VAL 86 Cb -0.03 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2iyb s VAL 86 CO 0.13 0.14 0.38 -0.31 0.00 0.00 0.00 175.10 175.44 2iyb s TYR 87 N 1.85 3.54 0.02 5.22 2.02 0.12 -1.43 117.35 128.70 2iyb s TYR 87 Ca 0.25 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 2iyb s TYR 87 Cb -0.16 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 2iyb s TYR 87 CO 0.10 0.49 -0.05 0.20 -1.57 0.00 0.00 175.55 174.72 2iyb s GLY 88 N -2.00 0.33 -0.18 0.71 0.00 -0.13 -1.48 107.32 104.57 2iyb s GLY 88 Ca 0.35 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.57 2iyb s GLY 88 CO 0.20 -0.54 -0.13 1.08 0.00 0.00 0.00 173.10 173.71 2iyb s LEU 89 N -1.02 2.12 -0.71 0.66 1.43 0.21 0.01 118.68 121.38 2iyb s LEU 89 Ca -0.07 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 2iyb s LEU 89 Cb -0.07 -1.28 0.18 0.00 0.03 0.00 0.00 46.19 45.05 2iyb s LEU 89 CO -0.00 -0.09 0.67 0.21 0.23 0.00 0.00 176.35 177.37 2iyb s ASN 90 N 1.39 6.53 0.56 2.29 2.47 -0.38 -1.63 114.94 126.17 2iyb s ASN 90 Ca 0.02 -2.29 -0.18 0.00 0.42 0.00 0.00 52.86 50.82 2iyb s ASN 90 Cb -0.15 -2.22 -0.05 0.00 -1.45 0.00 0.00 41.25 37.39 2iyb s ASN 90 CO -0.10 -0.71 1.11 -0.36 -3.72 0.00 0.00 177.10 173.32 2iyb s PHE 91 N 0.86 2.71 0.28 0.43 0.08 0.52 -1.49 117.98 121.37 2iyb s PHE 91 Ca 0.12 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.76 2iyb s PHE 91 Cb -0.18 -3.22 0.41 0.00 -0.57 0.00 0.00 43.02 39.45 2iyb s PHE 91 CO -0.04 -1.49 1.69 0.78 -0.10 0.00 0.00 175.22 176.06 2iyb h GLY 92 N 0.95 0.38 -2.90 4.36 0.00 -1.67 -3.47 103.07 100.71 2iyb h GLY 92 Ca -0.49 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.35 2iyb h GLY 92 CO 0.57 0.32 -0.51 -1.35 0.00 0.00 0.00 176.54 175.57 2iyb s SER 93 N -6.86 0.21 0.29 0.19 1.04 -1.26 -5.03 113.70 102.29 2iyb s SER 93 Ca -0.05 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.37 2iyb s SER 93 Cb 0.13 0.34 0.45 0.00 0.10 0.00 0.00 66.02 67.04 2iyb s SER 93 CO 0.78 -0.77 1.82 0.11 0.98 0.00 0.00 173.24 176.16 2iyb h LYS 94 N 2.77 0.70 0.02 4.02 1.79 -1.90 -2.16 116.57 121.81 2iyb h LYS 94 Ca -0.34 -0.16 0.03 0.00 -2.18 0.00 0.00 60.65 58.00 2iyb h LYS 94 Cb 1.20 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.70 2iyb h LYS 94 CO 0.56 0.69 -0.41 1.49 -1.08 0.00 0.00 179.45 180.70 2iyb h GLU 95 N 0.67 -0.56 -0.91 3.15 4.81 -1.96 -0.19 114.58 119.59 2iyb h GLU 95 Ca 0.14 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 2iyb h GLU 95 Cb 0.36 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 2iyb h GLU 95 CO 0.01 -0.38 0.54 -0.44 -0.73 0.00 0.00 179.01 178.01 2iyb h ASP 96 N -0.58 0.76 0.17 1.04 3.32 -1.87 -2.15 116.42 117.11 2iyb h ASP 96 Ca 0.04 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2iyb h ASP 96 Cb 0.65 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2iyb h ASP 96 CO -0.30 0.39 -0.08 0.00 -1.72 0.00 0.00 179.24 177.53 2iyb h ALA 97 N 1.52 -0.23 -0.86 3.45 0.00 -0.92 -2.48 119.26 119.74 2iyb h ALA 97 Ca 0.46 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2iyb h ALA 97 Cb 0.50 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2iyb h ALA 97 CO -0.29 -0.53 0.57 -0.91 0.00 0.00 0.00 179.25 178.09 2iyb h ASN 98 N -0.42 0.94 0.25 0.00 2.35 -0.78 -0.89 115.58 117.03 2iyb h ASN 98 Ca -0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2iyb h ASN 98 Cb 0.33 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2iyb h ASN 98 CO 0.04 0.65 -0.12 0.58 -1.65 0.00 0.00 177.43 176.93 2iyb h VAL 99 N 1.09 0.80 -0.16 2.81 2.07 -1.39 -1.11 116.25 120.37 2iyb h VAL 99 Ca 0.33 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2iyb h VAL 99 Cb -0.01 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2iyb h VAL 99 CO -0.09 0.11 0.06 0.15 0.02 0.00 0.00 177.57 177.82 2iyb h PHE 100 N -0.60 0.12 -0.66 1.57 3.57 -1.29 -1.93 116.94 117.71 2iyb h PHE 100 Ca -0.03 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2iyb h PHE 100 Cb 0.43 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2iyb h PHE 100 CO 0.01 0.06 0.40 0.00 -2.23 0.00 0.00 178.31 176.55 2iyb h ALA 101 N 1.09 0.86 -0.75 2.41 0.00 -1.16 0.16 119.26 121.87 2iyb h ALA 101 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2iyb h ALA 101 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2iyb h ALA 101 CO -0.06 0.14 0.39 1.03 0.00 0.00 0.00 179.25 180.76 2iyb h SER 102 N 0.78 0.95 -0.00 0.00 0.87 -1.02 0.47 113.55 115.60 2iyb h SER 102 Ca 0.27 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2iyb h SER 102 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2iyb h SER 102 CO -0.12 0.79 -0.37 0.00 -0.53 0.00 0.00 176.83 176.60 2iyb h ALA 103 N 1.20 0.94 -0.48 6.23 0.00 -0.62 -2.39 119.26 124.13 2iyb h ALA 103 Ca 0.26 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2iyb h ALA 103 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2iyb h ALA 103 CO -0.04 0.62 -0.19 1.98 0.00 0.00 0.00 179.25 181.62 2iyb h MET 104 N 0.42 0.99 -0.20 0.00 -1.53 -0.18 -1.40 114.93 113.02 2iyb h MET 104 Ca 0.04 -0.41 -0.06 0.00 -3.44 0.00 0.00 59.70 55.82 2iyb h MET 104 Cb 0.84 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.84 2iyb h MET 104 CO 0.07 1.09 -0.16 0.52 0.14 0.00 0.00 176.91 178.57 2iyb h MET 105 N 0.84 0.33 0.04 0.39 2.86 -0.81 -2.08 114.93 116.50 2iyb h MET 105 Ca 0.11 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 2iyb h MET 105 Cb 0.77 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.41 2iyb h MET 105 CO 0.06 0.50 -0.80 1.25 1.06 0.00 0.00 176.91 178.99 2iyb h HIS 106 N 0.31 0.73 -0.67 -0.22 -0.00 -1.31 -1.87 115.15 112.12 2iyb h HIS 106 Ca 0.06 -0.42 0.05 0.00 -0.00 0.00 0.00 60.37 60.05 2iyb h HIS 106 Cb 0.48 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.76 2iyb h HIS 106 CO 0.01 1.26 0.39 0.00 -0.00 0.00 0.00 177.93 179.59 2iyb h ALA 107 N 0.29 0.88 -0.39 5.26 0.00 -1.18 0.61 119.26 124.74 2iyb h ALA 107 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2iyb h ALA 107 Cb 1.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2iyb h ALA 107 CO 0.15 0.10 -0.15 -0.07 0.00 0.00 0.00 179.25 179.29 2iyb h LEU 108 N 0.74 0.72 -0.63 0.00 3.38 -1.43 -2.11 115.31 115.98 2iyb h LEU 108 Ca 0.29 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2iyb h LEU 108 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2iyb h LEU 108 CO -0.15 0.88 -0.00 -0.08 0.09 0.00 0.00 178.44 179.18 2iyb h GLU 109 N 0.65 1.07 -0.29 1.13 4.22 -0.62 -1.62 114.58 119.11 2iyb h GLU 109 Ca 0.11 -0.34 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 2iyb h GLU 109 Cb 0.62 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2iyb h GLU 109 CO 0.04 1.05 0.16 0.28 -2.18 0.00 0.00 179.01 178.36 2iyb h VAL 110 N 0.98 1.12 0.00 0.32 2.07 -0.82 -2.65 116.25 117.27 2iyb h VAL 110 Ca 0.17 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2iyb h VAL 110 Cb 0.56 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2iyb h VAL 110 CO 0.03 0.12 -0.11 -0.07 0.02 0.00 0.00 177.57 177.56 2iyb h LEU 111 N 0.36 0.00 -2.36 2.57 3.38 -1.17 -3.08 115.31 115.01 2iyb h LEU 111 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2iyb h LEU 111 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2iyb h LEU 111 CO -0.02 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.21 2iyb n ASN 112 N -3.31 3.26 0.00 -0.43 3.02 -0.63 -4.92 115.26 112.26 2iyb n ASN 112 Ca -0.00 -1.93 0.14 0.00 -0.03 0.00 0.00 54.58 52.75 2iyb n ASN 112 Cb 0.33 -0.24 0.83 0.00 -0.61 0.00 0.00 39.78 40.09 2iyb n ASN 112 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10