#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iy3 s ILE 2 N 0.00 4.40 -0.04 2.12 1.01 -1.26 -4.97 121.20 122.46 3iy3 s ILE 2 Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.21 3iy3 s ILE 2 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3iy3 s ILE 2 CO 0.00 -0.24 0.31 -0.69 0.00 0.00 0.00 174.94 174.31 3iy3 s VAL 3 N 3.57 5.22 -0.08 2.92 1.01 -1.26 -4.77 120.40 127.01 3iy3 s VAL 3 Ca 0.51 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 3iy3 s VAL 3 Cb -0.18 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3iy3 s VAL 3 CO 0.14 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 175.00 3iy3 s LEU 4 N -1.16 3.35 -0.10 3.92 1.43 -1.26 -0.80 118.68 124.07 3iy3 s LEU 4 Ca 0.21 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3iy3 s LEU 4 Cb -0.15 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3iy3 s LEU 4 CO 0.11 0.37 -0.10 -0.89 0.23 0.00 0.00 176.35 176.07 3iy3 s THR 5 N -0.82 1.10 -0.13 5.49 2.01 0.58 -4.28 115.64 119.60 3iy3 s THR 5 Ca 0.12 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 3iy3 s THR 5 Cb -0.11 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 3iy3 s THR 5 CO 0.02 0.37 0.04 -1.10 -0.69 0.00 0.00 174.62 173.25 3iy3 s GLN 6 N 1.33 3.41 -0.02 4.92 -0.21 -1.26 -0.36 119.66 127.47 3iy3 s GLN 6 Ca -0.02 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.03 3iy3 s GLN 6 Cb -0.14 -2.98 -0.00 0.00 1.00 0.00 0.00 33.01 30.89 3iy3 s GLN 6 CO -0.04 0.55 -0.10 -0.59 -2.12 0.00 0.00 175.29 172.98 3iy3 s PHE 7 N -0.43 0.97 0.00 0.91 -0.12 -0.99 -4.45 117.98 113.88 3iy3 s PHE 7 Ca 0.09 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3iy3 s PHE 7 Cb -0.12 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.61 3iy3 s PHE 7 CO 0.02 -0.06 0.00 -0.35 -0.05 0.00 0.00 175.22 174.78 3iy3 n PRO 8 N 3.04 1.88 0.00 1.99 -0.04 -1.26 -2.48 135.00 138.13 3iy3 n PRO 8 Ca -0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.39 3iy3 n PRO 8 Cb 0.55 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 3iy3 n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iy3 n GLY 9 N 5.00 -1.08 2.99 0.55 0.00 -1.26 -4.58 105.19 106.81 3iy3 n GLY 9 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 3iy3 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iy3 s SER 10 N -4.77 0.10 -0.11 1.61 0.15 -1.26 -0.58 113.70 108.84 3iy3 s SER 10 Ca -0.07 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 3iy3 s SER 10 Cb 0.12 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3iy3 s SER 10 CO 0.88 -0.23 0.30 -0.22 1.20 0.00 0.00 173.24 175.17 3iy3 s LEU 11 N -0.98 0.84 -0.13 3.45 2.96 0.33 -4.90 118.68 120.25 3iy3 s LEU 11 Ca -0.11 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3iy3 s LEU 11 Cb -0.06 1.03 0.02 0.00 0.50 0.00 0.00 46.19 47.67 3iy3 s LEU 11 CO -0.00 -0.11 -0.16 0.00 -1.32 0.00 0.00 176.35 174.76 3iy3 s ALA 12 N 0.17 1.88 0.07 5.97 0.00 -1.26 0.44 121.76 129.03 3iy3 s ALA 12 Ca -0.00 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3iy3 s ALA 12 Cb -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3iy3 s ALA 12 CO 0.00 -0.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.54 3iy3 s VAL 13 N 1.12 1.04 0.29 0.00 1.01 0.08 -4.90 120.40 119.03 3iy3 s VAL 13 Ca -0.03 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 3iy3 s VAL 13 Cb -0.14 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 3iy3 s VAL 13 CO -0.05 -0.28 0.71 -0.44 0.00 0.00 0.00 175.10 175.04 3iy3 s SER 14 N -1.81 6.83 0.21 3.32 0.01 -1.26 0.44 113.70 121.44 3iy3 s SER 14 Ca -0.02 1.28 -0.32 0.00 1.31 0.00 0.00 55.95 58.19 3iy3 s SER 14 Cb -0.09 -2.37 -0.14 0.00 0.21 0.00 0.00 66.02 63.63 3iy3 s SER 14 CO 0.02 -0.13 1.41 0.18 0.41 0.00 0.00 173.24 175.13 3iy3 n LEU 15 N -0.05 2.84 0.00 2.44 4.77 -1.21 -1.13 117.00 124.66 3iy3 n LEU 15 Ca 0.02 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 3iy3 n LEU 15 Cb 0.53 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 3iy3 n LEU 15 CO 0.42 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 3iy3 n GLY 16 N 2.41 1.22 3.71 -0.72 0.00 -0.71 -4.95 105.19 106.14 3iy3 n GLY 16 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3iy3 n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iy3 n GLN 17 N -2.00 0.34 -4.01 1.61 1.13 -0.28 -4.57 117.38 109.59 3iy3 n GLN 17 Ca 0.00 -2.82 -0.35 0.00 -1.94 0.00 0.00 57.00 51.90 3iy3 n GLN 17 Cb 0.00 -0.39 -0.09 0.00 0.11 0.00 0.00 30.24 29.87 3iy3 n GLN 17 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3iy3 s ARG 18 N -4.70 3.81 -0.13 -1.09 3.52 -1.26 -1.14 118.95 117.96 3iy3 s ARG 18 Ca 0.60 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3iy3 s ARG 18 Cb -0.04 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3iy3 s ARG 18 CO 0.39 0.39 -0.07 0.00 -0.81 0.00 0.00 175.30 175.20 3iy3 s ALA 19 N 0.03 2.88 -0.15 6.12 0.00 0.04 -4.98 121.76 125.70 3iy3 s ALA 19 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3iy3 s ALA 19 Cb -0.12 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.62 3iy3 s ALA 19 CO 0.01 0.28 -0.18 0.99 0.00 0.00 0.00 175.76 176.86 3iy3 s THR 20 N 0.19 1.84 -0.18 0.00 2.01 -1.26 -1.37 115.64 116.87 3iy3 s THR 20 Ca -0.04 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3iy3 s THR 20 Cb -0.14 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3iy3 s THR 20 CO 0.04 0.51 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 3iy3 s ILE 21 N 1.21 3.32 0.13 1.82 1.01 0.04 -4.89 121.20 123.84 3iy3 s ILE 21 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3iy3 s ILE 21 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3iy3 s ILE 21 CO -0.09 0.47 0.27 -0.55 0.00 0.00 0.00 174.94 175.04 3iy3 s SER 22 N 0.89 6.35 -0.10 3.58 0.15 -1.04 -0.50 113.70 123.04 3iy3 s SER 22 Ca -0.02 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.81 3iy3 s SER 22 Cb -0.15 -1.93 0.05 0.00 -1.71 0.00 0.00 66.02 62.28 3iy3 s SER 22 CO 0.01 0.08 0.21 0.00 1.20 0.00 0.00 173.24 174.74 3iy3 s LYS 24 N 1.80 3.14 0.27 0.00 1.02 0.51 -1.68 119.74 124.80 3iy3 s LYS 24 Ca -0.03 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.21 3iy3 s LYS 24 Cb -0.11 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3iy3 s LYS 24 CO -0.07 0.26 0.43 0.00 -0.92 0.00 0.00 175.35 175.05 3iy3 s ALA 25 N 0.20 3.82 -0.01 5.17 0.00 -0.37 -0.31 121.76 130.26 3iy3 s ALA 25 Ca -0.11 -1.01 0.12 0.00 0.00 0.00 0.00 51.96 50.96 3iy3 s ALA 25 Cb -0.16 -1.93 -0.21 0.00 0.00 0.00 0.00 23.12 20.82 3iy3 s ALA 25 CO 0.06 0.20 0.85 1.03 0.00 0.00 0.00 175.76 177.90 3iy3 h SER 26 N 1.25 0.00 -5.14 0.00 0.87 -1.29 -3.46 113.55 105.78 3iy3 h SER 26 Ca -0.50 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.86 3iy3 h SER 26 Cb 1.22 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.03 3iy3 h SER 26 CO 0.63 0.95 -0.66 -1.10 -0.53 0.00 0.00 176.83 176.12 3iy3 s GLN 27 N -2.67 0.92 0.41 2.24 -0.21 -1.26 -4.95 119.66 114.14 3iy3 s GLN 27 Ca -0.03 -1.42 -0.26 0.00 0.02 0.00 0.00 55.36 53.67 3iy3 s GLN 27 Cb 0.09 0.10 -0.09 0.00 1.00 0.00 0.00 33.01 34.10 3iy3 s GLN 27 CO 0.82 -0.20 1.38 1.03 -2.12 0.00 0.00 175.29 176.20 3iy3 s ARG 28 N -3.99 3.92 -0.17 2.91 0.52 -1.26 -4.78 118.95 116.11 3iy3 s ARG 28 Ca 0.21 2.33 0.15 0.00 -0.52 0.00 0.00 55.73 57.89 3iy3 s ARG 28 Cb 0.07 -2.78 0.35 0.00 0.52 0.00 0.00 34.95 33.11 3iy3 s ARG 28 CO 0.00 -0.59 1.18 1.55 0.02 0.00 0.00 175.30 177.46 3iy3 n VAL 29 N 0.12 1.99 -3.06 3.52 3.14 -0.79 -5.01 118.33 118.23 3iy3 n VAL 29 Ca 0.03 -2.70 -0.27 0.00 -2.96 0.00 0.00 64.34 58.45 3iy3 n VAL 29 Cb 0.42 -0.21 -0.01 0.00 -1.06 0.00 0.00 33.84 32.98 3iy3 n VAL 29 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3iy3 s ASP 30 N -3.01 6.33 -0.30 6.55 2.15 -1.26 -1.99 116.67 125.13 3iy3 s ASP 30 Ca 0.35 0.73 -0.08 0.00 0.43 0.00 0.00 52.55 53.97 3iy3 s ASP 30 Cb 0.32 -2.15 0.18 0.00 -0.30 0.00 0.00 42.92 40.97 3iy3 s ASP 30 CO -0.02 -0.39 0.86 -0.47 -0.17 0.00 0.00 175.17 174.98 3iy3 s TYR 31 N -2.43 -0.98 -1.01 -5.34 5.04 -0.64 -4.94 117.35 107.04 3iy3 s TYR 31 Ca 0.44 1.09 -0.03 0.00 -2.44 0.00 0.00 57.07 56.14 3iy3 s TYR 31 Cb -0.10 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.58 3iy3 s TYR 31 CO 0.38 -0.54 0.35 -0.25 -1.34 0.00 0.00 175.55 174.15 3iy3 n ASP 32 N 5.43 -4.44 -0.04 4.32 8.00 -1.26 -1.65 116.55 126.92 3iy3 n ASP 32 Ca -0.05 -0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.28 3iy3 n ASP 32 Cb 0.52 -3.34 -0.00 0.00 -0.02 0.00 0.00 41.12 38.28 3iy3 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iy3 n GLY 33 N -1.22 0.47 3.03 0.44 0.00 -1.26 -4.98 105.19 101.68 3iy3 n GLY 33 Ca -0.08 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3iy3 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iy3 s VAL 34 N -1.97 1.71 -0.11 1.61 1.01 -0.66 -5.08 120.40 116.91 3iy3 s VAL 34 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 3iy3 s VAL 34 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3iy3 s VAL 34 CO 0.00 0.32 0.52 -0.44 0.00 0.00 0.00 175.10 175.50 3iy3 s SER 35 N 1.39 6.73 -1.02 3.32 0.01 -1.26 -1.62 113.70 121.25 3iy3 s SER 35 Ca 0.02 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.13 3iy3 s SER 35 Cb -0.15 -2.31 0.26 0.00 0.21 0.00 0.00 66.02 64.04 3iy3 s SER 35 CO -0.10 -0.03 2.05 -1.22 0.41 0.00 0.00 173.24 174.35 3iy3 n TYR 36 N 3.77 2.68 -4.53 2.43 4.01 -0.84 -3.47 117.16 121.20 3iy3 n TYR 36 Ca -0.06 -2.53 -0.34 0.00 -0.16 0.00 0.00 57.90 54.81 3iy3 n TYR 36 Cb 0.51 -1.35 -0.12 0.00 -0.31 0.00 0.00 39.34 38.07 3iy3 n TYR 36 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3iy3 s MET 37 N -3.42 3.41 0.28 -0.72 1.75 -1.26 -1.73 119.30 117.61 3iy3 s MET 37 Ca 0.46 -0.56 0.11 0.00 -1.25 0.00 0.00 55.69 54.45 3iy3 s MET 37 Cb 0.24 -2.78 -0.05 0.00 2.84 0.00 0.00 34.83 35.08 3iy3 s MET 37 CO -0.18 0.33 -0.18 -0.80 -0.65 0.00 0.00 175.02 173.55 3iy3 s ASN 38 N 0.10 3.52 -0.02 1.11 0.01 0.79 -0.22 114.94 120.22 3iy3 s ASN 38 Ca -0.02 -1.06 0.02 0.00 -0.71 0.00 0.00 52.86 51.10 3iy3 s ASN 38 Cb -0.14 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.23 3iy3 s ASN 38 CO 0.03 -0.02 -0.08 0.26 -1.51 0.00 0.00 177.10 175.79 3iy3 s TRP 39 N -2.57 0.78 0.15 2.20 0.52 0.06 -1.12 118.94 118.96 3iy3 s TRP 39 Ca 0.30 -0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.31 3iy3 s TRP 39 Cb -0.03 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 3iy3 s TRP 39 CO 0.15 -0.07 -0.14 0.71 0.02 0.00 0.00 176.95 177.62 3iy3 s TYR 40 N 0.11 1.48 -0.01 -1.98 1.51 -0.24 -0.89 117.35 117.34 3iy3 s TYR 40 Ca -0.01 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.54 3iy3 s TYR 40 Cb -0.07 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 3iy3 s TYR 40 CO 0.00 0.20 -0.24 -1.14 -1.11 0.00 0.00 175.55 173.25 3iy3 s GLN 41 N -3.04 1.92 -0.07 -0.62 0.74 0.70 -1.52 119.66 117.76 3iy3 s GLN 41 Ca 0.13 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.61 3iy3 s GLN 41 Cb -0.03 -1.90 0.03 0.00 1.10 0.00 0.00 33.01 32.22 3iy3 s GLN 41 CO 0.04 0.51 0.04 -1.14 -0.55 0.00 0.00 175.29 174.19 3iy3 s GLN 42 N -0.70 0.23 0.18 1.67 0.74 0.19 0.27 119.66 122.23 3iy3 s GLN 42 Ca 0.10 0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 3iy3 s GLN 42 Cb -0.09 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.09 3iy3 s GLN 42 CO -0.00 -0.37 0.37 0.15 -0.55 0.00 0.00 175.29 174.88 3iy3 s LYS 43 N 2.08 3.52 0.25 1.67 1.02 -1.26 -1.84 119.74 125.17 3iy3 s LYS 43 Ca 0.04 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 3iy3 s LYS 43 Cb -0.13 -2.87 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 3iy3 s LYS 43 CO -0.05 0.44 1.16 -0.35 -0.92 0.00 0.00 175.35 175.63 3iy3 n PRO 44 N -0.48 1.50 -1.59 -1.68 -0.04 -1.26 -1.89 135.00 129.56 3iy3 n PRO 44 Ca -0.05 0.53 -0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3iy3 n PRO 44 Cb 0.53 -2.01 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 3iy3 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iy3 n GLY 45 N 1.61 0.95 3.02 0.55 0.00 -1.26 -4.99 105.19 105.07 3iy3 n GLY 45 Ca 0.11 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3iy3 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iy3 s GLN 46 N -3.46 0.43 0.67 1.61 -0.21 -0.79 -5.15 119.66 112.76 3iy3 s GLN 46 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.43 3iy3 s GLN 46 Cb 0.00 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 3iy3 s GLN 46 CO 0.00 -0.07 1.05 -1.25 -2.12 0.00 0.00 175.29 172.90 3iy3 s PRO 47 N -2.40 3.15 0.74 2.91 0.04 -1.26 -4.57 135.00 133.60 3iy3 s PRO 47 Ca -0.07 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 3iy3 s PRO 47 Cb -0.03 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3iy3 s PRO 47 CO -0.04 -0.92 1.16 -2.14 0.04 0.00 0.00 177.00 175.10 3iy3 s PRO 48 N -5.12 2.18 -0.04 0.56 0.02 -1.26 -4.69 135.00 126.65 3iy3 s PRO 48 Ca 0.57 1.59 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3iy3 s PRO 48 Cb -0.13 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3iy3 s PRO 48 CO 0.54 -1.77 -0.19 0.21 -0.33 0.00 0.00 177.00 175.46 3iy3 s LYS 49 N -4.13 1.87 0.06 5.54 2.20 0.14 -4.91 119.74 120.51 3iy3 s LYS 49 Ca 0.70 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 3iy3 s LYS 49 Cb -0.25 -1.66 -0.05 0.00 -1.51 0.00 0.00 37.83 34.36 3iy3 s LYS 49 CO 0.47 0.32 1.00 -1.17 -0.36 0.00 0.00 175.35 175.61 3iy3 s LEU 50 N -0.15 4.43 -0.08 5.43 2.96 -1.26 -0.22 118.68 129.78 3iy3 s LEU 50 Ca -0.00 1.78 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 3iy3 s LEU 50 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3iy3 s LEU 50 CO 0.02 -0.21 -0.17 0.18 -1.32 0.00 0.00 176.35 174.85 3iy3 n LEU 51 N 3.38 1.26 -3.94 -0.68 4.77 -0.07 -4.83 117.00 116.89 3iy3 n LEU 51 Ca 0.05 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3iy3 n LEU 51 Cb 0.50 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 3iy3 n LEU 51 CO 0.52 -0.15 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.42 3iy3 s ILE 52 N -2.36 0.29 0.17 -0.08 1.01 -1.14 -1.45 121.20 117.64 3iy3 s ILE 52 Ca -0.17 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3iy3 s ILE 52 Cb 0.04 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3iy3 s ILE 52 CO 0.22 0.03 -0.19 0.54 0.00 0.00 0.00 174.94 175.55 3iy3 s ASN 53 N -0.23 2.81 -1.69 3.58 4.22 -0.28 -0.76 114.94 122.59 3iy3 s ASN 53 Ca 0.00 -0.87 -0.02 0.00 -2.14 0.00 0.00 52.86 49.83 3iy3 s ASN 53 Cb -0.02 -0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.34 3iy3 s ASN 53 CO -0.00 -0.01 0.27 0.00 -2.04 0.00 0.00 177.10 175.31 3iy3 n ALA 54 N 0.26 -0.77 0.00 3.54 0.00 -0.99 -1.51 120.51 121.04 3iy3 n ALA 54 Ca -0.13 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3iy3 n ALA 54 Cb 0.57 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.08 3iy3 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iy3 n ALA 55 N -2.68 0.00 -1.12 0.00 0.00 0.69 -4.35 120.51 113.05 3iy3 n ALA 55 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3iy3 n ALA 55 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3iy3 n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iy3 n SER 56 N 2.29 0.00 -4.59 0.00 7.64 -1.19 -3.78 113.62 114.00 3iy3 n SER 56 Ca 0.00 -1.03 -0.40 0.00 1.01 0.00 0.00 58.87 58.46 3iy3 n SER 56 Cb 0.00 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 3iy3 n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3iy3 s ASP 57 N -0.03 6.22 -0.03 6.43 1.01 -0.57 -4.75 116.67 124.95 3iy3 s ASP 57 Ca 0.00 0.11 -0.30 0.00 0.71 0.00 0.00 52.55 53.07 3iy3 s ASP 57 Cb 0.00 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3iy3 s ASP 57 CO 0.00 -0.23 1.00 -0.76 0.21 0.00 0.00 175.17 175.39 3iy3 s LEU 58 N 2.06 4.33 0.53 1.23 1.43 -1.26 -1.13 118.68 125.87 3iy3 s LEU 58 Ca 0.14 1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 3iy3 s LEU 58 Cb -0.16 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3iy3 s LEU 58 CO 0.11 -0.34 1.11 -0.70 0.23 0.00 0.00 176.35 176.76 3iy3 s GLU 59 N 1.37 3.44 0.34 1.70 2.56 -0.53 -4.94 118.70 122.63 3iy3 s GLU 59 Ca 0.51 1.55 -0.29 0.00 0.00 0.00 0.00 54.97 56.74 3iy3 s GLU 59 Cb -0.21 -2.02 -0.10 0.00 2.00 0.00 0.00 34.13 33.80 3iy3 s GLU 59 CO 0.25 -0.76 1.37 -1.12 -0.56 0.00 0.00 175.26 174.43 3iy3 s SER 60 N -1.84 6.64 0.00 -1.70 0.01 -1.26 -2.25 113.70 113.30 3iy3 s SER 60 Ca 0.71 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.76 3iy3 s SER 60 Cb -0.22 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.36 3iy3 s SER 60 CO 0.26 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.87 3iy3 n GLY 61 N 0.85 0.65 3.73 3.44 0.00 -1.26 -5.04 105.19 107.55 3iy3 n GLY 61 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3iy3 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iy3 s ILE 62 N -2.26 5.28 0.44 -0.61 -1.09 -0.95 -5.04 121.20 116.98 3iy3 s ILE 62 Ca 0.00 0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 3iy3 s ILE 62 Cb 0.00 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3iy3 s ILE 62 CO 0.00 0.38 1.26 -2.65 -1.23 0.00 0.00 174.94 172.70 3iy3 n PRO 63 N 3.58 1.84 0.00 2.79 -0.02 -1.26 -4.87 135.00 137.06 3iy3 n PRO 63 Ca -0.11 0.66 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 3iy3 n PRO 63 Cb 0.52 -2.39 0.49 0.00 -0.02 0.00 0.00 33.50 32.10 3iy3 n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iy3 n ALA 64 N -0.38 2.09 0.76 3.55 0.00 -1.26 -2.07 120.51 123.20 3iy3 n ALA 64 Ca 0.07 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3iy3 n ALA 64 Cb 0.41 -1.27 0.48 0.00 0.00 0.00 0.00 19.45 19.07 3iy3 n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3iy3 n ARG 65 N -1.05 0.02 -3.62 0.00 1.85 -1.26 -4.67 116.66 107.94 3iy3 n ARG 65 Ca 0.12 0.13 -0.37 0.00 -1.00 0.00 0.00 57.85 56.72 3iy3 n ARG 65 Cb 0.07 -1.54 -0.06 0.00 -1.05 0.00 0.00 32.46 29.88 3iy3 n ARG 65 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3iy3 s PHE 66 N -3.02 3.65 0.02 2.89 0.08 -0.88 -1.79 117.98 118.94 3iy3 s PHE 66 Ca 0.11 0.80 -0.18 0.00 0.12 0.00 0.00 56.93 57.78 3iy3 s PHE 66 Cb 0.15 -2.20 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3iy3 s PHE 66 CO 0.43 0.61 0.39 -1.54 -0.10 0.00 0.00 175.22 175.01 3iy3 s SER 67 N -0.82 -0.26 0.05 1.36 1.04 -0.29 -4.99 113.70 109.78 3iy3 s SER 67 Ca 0.20 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.73 3iy3 s SER 67 Cb -0.15 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3iy3 s SER 67 CO 0.09 -0.59 -0.13 -0.83 0.98 0.00 0.00 173.24 172.76 3iy3 s GLY 68 N -1.75 0.78 0.22 7.32 0.00 -1.26 -0.21 107.32 112.42 3iy3 s GLY 68 Ca -0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 3iy3 s GLY 68 CO 0.00 -0.86 0.31 -0.51 0.00 0.00 0.00 173.10 172.04 3iy3 s THR 69 N -1.00 0.00 0.00 0.90 -4.23 -0.88 -4.37 115.64 106.06 3iy3 s THR 69 Ca -0.00 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3iy3 s THR 69 Cb -0.09 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3iy3 s THR 69 CO 0.01 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3iy3 n GLY 70 N -0.32 2.80 3.53 3.99 0.00 -1.26 -1.96 105.19 111.97 3iy3 n GLY 70 Ca -0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 3iy3 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iy3 s SER 71 N 0.00 -0.32 0.00 1.61 1.04 -0.94 -4.94 113.70 110.15 3iy3 s SER 71 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3iy3 s SER 71 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3iy3 s SER 71 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3iy3 n GLY 72 N -0.08 2.09 0.00 7.32 0.00 -1.26 -3.03 105.19 110.23 3iy3 n GLY 72 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3iy3 n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iy3 n THR 73 N 0.00 0.00 -4.51 2.61 -2.24 -1.26 -1.89 114.28 106.98 3iy3 n THR 73 Ca 0.00 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 3iy3 n THR 73 Cb 0.00 1.45 -0.15 0.00 -2.10 0.00 0.00 70.33 69.53 3iy3 n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iy3 s ASP 74 N -0.09 3.66 0.02 3.42 1.01 -1.17 -1.24 116.67 122.28 3iy3 s ASP 74 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.79 3iy3 s ASP 74 Cb 0.00 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.35 3iy3 s ASP 74 CO 0.00 0.08 -0.04 -0.36 0.21 0.00 0.00 175.17 175.06 3iy3 s PHE 75 N 0.83 0.33 0.03 4.23 0.40 -0.68 -2.21 117.98 120.91 3iy3 s PHE 75 Ca -0.05 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 3iy3 s PHE 75 Cb -0.15 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 3iy3 s PHE 75 CO -0.00 -0.15 -0.04 0.95 0.70 0.00 0.00 175.22 176.68 3iy3 s THR 76 N -1.33 0.18 -0.10 0.64 -4.23 -0.83 -0.79 115.64 109.18 3iy3 s THR 76 Ca -0.14 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 3iy3 s THR 76 Cb -0.09 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 3iy3 s THR 76 CO -0.01 -0.53 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.14 3iy3 s LEU 77 N -1.61 2.42 -0.04 4.79 2.96 0.34 -2.07 118.68 125.47 3iy3 s LEU 77 Ca -0.13 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3iy3 s LEU 77 Cb -0.08 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3iy3 s LEU 77 CO -0.02 0.20 -0.25 0.20 -1.32 0.00 0.00 176.35 175.16 3iy3 s ASN 78 N 0.12 3.07 -0.14 3.68 -0.87 0.70 -0.78 114.94 120.72 3iy3 s ASN 78 Ca -0.09 -0.48 -0.00 0.00 -1.57 0.00 0.00 52.86 50.71 3iy3 s ASN 78 Cb -0.15 -0.56 0.03 0.00 -0.02 0.00 0.00 41.25 40.55 3iy3 s ASN 78 CO 0.06 0.29 -0.09 -0.63 -2.57 0.00 0.00 177.10 174.16 3iy3 s ILE 79 N -0.43 1.21 -0.29 0.60 1.01 -0.47 -1.14 121.20 121.70 3iy3 s ILE 79 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3iy3 s ILE 79 Cb -0.12 -1.24 0.17 0.00 0.01 0.00 0.00 42.46 41.28 3iy3 s ILE 79 CO 0.01 0.32 0.57 -2.28 0.00 0.00 0.00 174.94 173.56 3iy3 s HIS 80 N 1.62 -1.42 0.17 3.97 2.46 -0.74 -0.78 115.29 120.57 3iy3 s HIS 80 Ca 0.04 1.70 -0.07 0.00 0.47 0.00 0.00 55.06 57.20 3iy3 s HIS 80 Cb -0.13 0.53 -0.06 0.00 -0.13 0.00 0.00 32.58 32.78 3iy3 s HIS 80 CO -0.09 -0.80 0.44 -1.25 -2.47 0.00 0.00 174.74 170.56 3iy3 s PRO 81 N 2.81 3.69 0.37 2.88 0.04 -1.26 -4.68 135.00 138.86 3iy3 s PRO 81 Ca 0.14 0.05 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 3iy3 s PRO 81 Cb -0.14 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 3iy3 s PRO 81 CO -0.20 0.42 1.12 0.08 0.04 0.00 0.00 177.00 178.47 3iy3 s VAL 82 N -1.69 3.39 0.49 -0.36 1.01 -0.29 -4.82 120.40 118.13 3iy3 s VAL 82 Ca 0.42 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.61 3iy3 s VAL 82 Cb -0.12 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3iy3 s VAL 82 CO 0.23 0.13 0.03 -1.61 0.00 0.00 0.00 175.10 173.88 3iy3 s GLU 83 N -2.15 2.13 0.13 2.72 0.41 -1.26 -1.74 118.70 118.94 3iy3 s GLU 83 Ca 0.54 -2.35 -0.12 0.00 -0.41 0.00 0.00 54.97 52.64 3iy3 s GLU 83 Cb -0.29 -1.33 -0.07 0.00 -1.78 0.00 0.00 34.13 30.66 3iy3 s GLU 83 CO 0.36 -0.38 1.43 1.05 -0.49 0.00 0.00 175.26 177.23 3iy3 h GLU 84 N 1.45 0.88 0.00 1.61 9.09 -2.01 -2.55 114.58 123.06 3iy3 h GLU 84 Ca -0.42 -0.52 0.00 0.00 0.05 0.00 0.00 59.36 58.47 3iy3 h GLU 84 Cb 1.30 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.45 3iy3 h GLU 84 CO 0.71 1.16 0.00 -0.85 0.05 0.00 0.00 179.01 180.08 3iy3 n GLU 85 N -4.06 0.19 -0.02 1.06 0.28 -1.26 -1.74 120.64 115.09 3iy3 n GLU 85 Ca -0.04 0.15 0.13 0.00 -0.16 0.00 0.00 57.16 57.24 3iy3 n GLU 85 Cb 0.58 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 32.55 3iy3 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3iy3 n ASP 86 N -1.23 0.85 -4.65 -1.84 8.00 -0.96 -4.80 116.55 111.93 3iy3 n ASP 86 Ca 0.06 -1.41 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 3iy3 n ASP 86 Cb 0.07 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3iy3 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iy3 s ALA 87 N -1.95 3.47 -0.02 2.24 0.00 -0.71 -4.86 121.76 119.93 3iy3 s ALA 87 Ca 0.37 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 3iy3 s ALA 87 Cb 0.19 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3iy3 s ALA 87 CO 0.30 -1.59 0.33 0.00 0.00 0.00 0.00 175.76 174.80 3iy3 n ALA 88 N 7.57 -0.94 -2.50 0.00 0.00 -1.20 -4.92 120.51 118.53 3iy3 n ALA 88 Ca 0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 3iy3 n ALA 88 Cb 0.44 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 3iy3 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iy3 s THR 89 N -2.03 3.20 -0.03 0.00 2.01 -0.77 -0.66 115.64 117.35 3iy3 s THR 89 Ca 0.08 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.42 3iy3 s THR 89 Cb -0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3iy3 s THR 89 CO -0.01 0.55 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.93 3iy3 s TYR 90 N -0.78 2.16 0.01 4.92 2.02 -0.10 -0.64 117.35 124.94 3iy3 s TYR 90 Ca 0.12 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3iy3 s TYR 90 Cb -0.11 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3iy3 s TYR 90 CO 0.02 -0.09 -0.16 0.71 -1.57 0.00 0.00 175.55 174.45 3iy3 s TYR 91 N -0.41 1.42 0.26 2.71 1.51 -0.58 -1.14 117.35 121.13 3iy3 s TYR 91 Ca 0.05 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 3iy3 s TYR 91 Cb -0.10 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3iy3 s TYR 91 CO 0.00 0.01 0.34 0.00 -1.11 0.00 0.00 175.55 174.80 3iy3 s GLN 93 N -3.98 0.56 0.24 0.00 0.74 -0.27 -1.06 119.66 115.89 3iy3 s GLN 93 Ca 0.36 0.77 0.08 0.00 0.05 0.00 0.00 55.36 56.61 3iy3 s GLN 93 Cb -0.09 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 3iy3 s GLN 93 CO 0.28 -0.10 0.09 -0.65 -0.55 0.00 0.00 175.29 174.36 3iy3 s GLN 94 N 0.63 2.60 -0.13 1.67 -1.52 -0.83 -0.15 119.66 121.95 3iy3 s GLN 94 Ca -0.03 -1.20 0.24 0.00 -1.95 0.00 0.00 55.36 52.42 3iy3 s GLN 94 Cb -0.05 -2.38 0.46 0.00 -0.22 0.00 0.00 33.01 30.82 3iy3 s GLN 94 CO -0.04 0.40 1.15 0.43 -0.25 0.00 0.00 175.29 176.97 3iy3 n SER 95 N -0.89 1.18 -0.01 5.90 7.64 -0.71 -3.70 113.62 123.03 3iy3 n SER 95 Ca -0.07 -2.01 -0.21 0.00 1.01 0.00 0.00 58.87 57.58 3iy3 n SER 95 Cb 0.58 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.29 3iy3 n SER 95 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3iy3 h ASN 96 N 1.72 0.32 -3.93 6.43 -0.73 -1.88 -3.48 115.58 114.02 3iy3 h ASN 96 Ca -0.20 -0.82 -0.53 0.00 1.87 0.00 0.00 56.30 56.63 3iy3 h ASN 96 Cb 1.59 -0.10 -0.13 0.00 0.27 0.00 0.00 38.32 39.94 3iy3 h ASN 96 CO 0.12 1.63 -0.51 -0.31 -0.37 0.00 0.00 177.43 178.00 3iy3 s TYR 97 N -2.47 1.76 -0.09 0.67 2.02 -1.26 -5.12 117.35 112.86 3iy3 s TYR 97 Ca -0.22 -1.39 -0.01 0.00 -0.37 0.00 0.00 57.07 55.08 3iy3 s TYR 97 Cb 0.05 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 3iy3 s TYR 97 CO 0.74 -0.46 -0.02 0.34 -1.57 0.00 0.00 175.55 174.57 3iy3 s ASP 98 N -3.54 5.01 0.60 2.29 2.15 -1.26 -3.82 116.67 118.10 3iy3 s ASP 98 Ca 0.28 0.06 -0.08 0.00 0.43 0.00 0.00 52.55 53.24 3iy3 s ASP 98 Cb 0.02 -1.41 -0.01 0.00 -0.30 0.00 0.00 42.92 41.22 3iy3 s ASP 98 CO 0.18 0.35 0.95 -2.16 -0.17 0.00 0.00 175.17 174.32 3iy3 s PRO 99 N -0.72 3.24 0.28 4.34 0.04 -1.26 -4.85 135.00 136.08 3iy3 s PRO 99 Ca 0.11 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 3iy3 s PRO 99 Cb -0.11 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3iy3 s PRO 99 CO 0.02 -0.62 0.99 -1.58 0.04 0.00 0.00 177.00 175.86 3iy3 s TRP 100 N -3.06 3.76 0.04 0.56 0.51 -1.25 -4.75 118.94 114.76 3iy3 s TRP 100 Ca 0.53 1.81 0.00 0.00 -2.12 0.00 0.00 56.10 56.33 3iy3 s TRP 100 Cb -0.11 -3.06 -0.03 0.00 -0.81 0.00 0.00 33.47 29.46 3iy3 s TRP 100 CO 0.49 0.05 -0.04 0.95 -0.51 0.00 0.00 176.95 177.89 3iy3 s THR 101 N -1.30 0.30 0.27 2.01 -4.23 -1.24 -5.03 115.64 106.42 3iy3 s THR 101 Ca 0.45 -1.35 0.12 0.00 -1.18 0.00 0.00 61.69 59.73 3iy3 s THR 101 Cb -0.26 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 3iy3 s THR 101 CO 0.32 -0.68 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.18 3iy3 s PHE 102 N -2.47 2.33 0.72 3.99 0.40 -1.26 -1.95 117.98 119.73 3iy3 s PHE 102 Ca -0.04 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3iy3 s PHE 102 Cb -0.03 -1.02 0.08 0.00 0.51 0.00 0.00 43.02 42.56 3iy3 s PHE 102 CO -0.04 0.70 1.02 0.20 0.70 0.00 0.00 175.22 177.80 3iy3 s GLY 103 N -3.46 1.71 0.51 4.36 0.00 -0.22 -4.52 107.32 105.69 3iy3 s GLY 103 Ca 0.29 -1.04 0.28 0.00 0.00 0.00 0.00 44.72 44.26 3iy3 s GLY 103 CO 0.15 -0.60 2.02 -1.33 0.00 0.00 0.00 173.10 173.34 3iy3 h GLY 104 N -0.63 0.00 0.00 0.20 0.00 -1.90 -3.43 103.07 97.31 3iy3 h GLY 104 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3iy3 h GLY 104 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.71 3iy3 n GLY 105 N -0.43 2.40 2.84 4.60 0.00 -1.26 -5.04 105.19 108.30 3iy3 n GLY 105 Ca -0.01 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 3iy3 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iy3 s THR 106 N -2.17 0.51 -0.15 2.61 2.01 -0.29 -4.64 115.64 113.52 3iy3 s THR 106 Ca 0.00 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 3iy3 s THR 106 Cb 0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 3iy3 s THR 106 CO 0.00 0.25 0.63 -0.75 -0.69 0.00 0.00 174.62 174.07 3iy3 s LYS 107 N 1.46 4.29 -0.15 4.92 2.20 0.26 -0.92 119.74 131.79 3iy3 s LYS 107 Ca -0.02 0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 3iy3 s LYS 107 Cb -0.13 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3iy3 s LYS 107 CO -0.03 -0.11 0.04 -1.17 -0.36 0.00 0.00 175.35 173.72 3iy3 s LEU 108 N 1.46 3.73 0.03 5.43 2.96 0.16 -0.51 118.68 131.94 3iy3 s LEU 108 Ca 0.31 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3iy3 s LEU 108 Cb -0.16 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3iy3 s LEU 108 CO 0.12 0.24 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.45 3iy3 s GLU 109 N -0.01 1.71 -0.12 1.98 2.12 0.17 -3.20 118.70 121.35 3iy3 s GLU 109 Ca 0.05 -1.00 -0.12 0.00 0.36 0.00 0.00 54.97 54.26 3iy3 s GLU 109 Cb -0.12 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 3iy3 s GLU 109 CO 0.01 0.47 0.27 0.42 -0.54 0.00 0.00 175.26 175.89 3iy3 s ILE 110 N -0.74 5.30 -0.21 -3.70 -1.09 -1.26 -0.74 121.20 118.76 3iy3 s ILE 110 Ca 0.10 0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 58.89 3iy3 s ILE 110 Cb -0.09 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 3iy3 s ILE 110 CO 0.01 0.49 0.29 -0.54 -1.23 0.00 0.00 174.94 173.96 3iy3 s LYS 111 N -0.23 4.15 0.00 2.79 1.02 0.17 -4.86 119.74 122.79 3iy3 s LYS 111 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.17 3iy3 s LYS 111 Cb -0.13 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3iy3 s LYS 111 CO 0.05 0.05 0.00 2.89 -0.92 0.00 0.00 175.35 177.42 3iy3 n ARG 112 N 4.25 0.76 0.00 1.68 1.85 -1.26 -3.33 116.66 120.61 3iy3 n ARG 112 Ca -0.11 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 56.89 3iy3 n ARG 112 Cb 0.52 0.00 0.86 0.00 -1.05 0.00 0.00 32.46 32.79 3iy3 n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62