#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 s PHE -8 N 0.00 3.32 -0.39 3.69 5.36 -1.26 -5.03 117.98 123.67 3dy3 s PHE -8 Ca 0.00 0.71 -0.11 0.00 -0.96 0.00 0.00 56.93 56.57 3dy3 s PHE -8 Cb 0.00 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.01 3dy3 s PHE -8 CO 0.00 -0.20 0.22 1.21 -1.46 0.00 0.00 175.22 174.99 3dy3 s ASN -7 N 1.35 5.75 0.10 6.13 3.04 -1.26 -4.95 114.94 125.11 3dy3 s ASN -7 Ca 0.23 -1.07 0.16 0.00 0.04 0.00 0.00 52.86 52.22 3dy3 s ASN -7 Cb -0.15 -2.03 0.70 0.00 -1.54 0.00 0.00 41.25 38.23 3dy3 s ASN -7 CO 0.09 -0.42 1.50 -0.81 -3.04 0.00 0.00 177.10 174.43 3dy3 n PRO -6 N 5.00 0.07 -4.14 0.43 -0.04 -1.26 -4.79 135.00 130.26 3dy3 n PRO -6 Ca -0.12 0.35 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 3dy3 n PRO -6 Cb 0.46 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 3dy3 n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dy3 s TYR -5 N -3.13 3.03 0.30 0.54 1.51 -1.26 -5.09 117.35 113.26 3dy3 s TYR -5 Ca 0.05 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3dy3 s TYR -5 Cb 0.08 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 3dy3 s TYR -5 CO 0.27 0.54 0.47 0.20 -1.11 0.00 0.00 175.55 175.92 3dy3 s GLY -4 N -3.53 1.13 -0.10 0.71 0.00 -1.26 -5.16 107.32 99.11 3dy3 s GLY -4 Ca 0.32 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 3dy3 s GLY -4 CO 0.23 -0.88 -0.03 -0.35 0.00 0.00 0.00 173.10 172.07 3dy3 s ASP -3 N -3.15 1.92 -0.05 1.64 3.68 -1.26 -4.22 116.67 115.22 3dy3 s ASP -3 Ca 0.28 -0.22 0.18 0.00 2.13 0.00 0.00 52.55 54.92 3dy3 s ASP -3 Cb -0.00 -0.62 0.58 0.00 -1.45 0.00 0.00 42.92 41.43 3dy3 s ASP -3 CO 0.16 -0.17 1.49 0.59 0.13 0.00 0.00 175.17 177.37 3dy3 n ASN -2 N 5.05 3.99 0.00 -0.34 4.13 -0.91 -4.48 115.26 122.70 3dy3 n ASN -2 Ca -0.09 -2.24 0.00 0.00 1.68 0.00 0.00 54.58 53.93 3dy3 n ASN -2 Cb 0.50 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3dy3 n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dy3 n GLY -1 N 1.01 1.74 0.16 7.41 0.00 -1.26 -1.41 105.19 112.84 3dy3 n GLY -1 Ca 0.22 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.68 3dy3 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy3 n GLY 1 N 0.00 -2.85 2.95 -0.02 0.00 -1.26 -4.14 105.19 99.87 3dy3 n GLY 1 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 3dy3 n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dy3 s THR 2 N -3.83 -0.04 0.17 2.61 2.01 -1.26 -0.94 115.64 114.36 3dy3 s THR 2 Ca 0.00 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.24 3dy3 s THR 2 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 3dy3 s THR 2 CO 0.00 0.06 -0.21 0.27 -0.69 0.00 0.00 174.62 174.05 3dy3 s ILE 3 N 0.97 2.06 -0.02 1.82 -4.36 0.26 -2.59 121.20 119.33 3dy3 s ILE 3 Ca -0.07 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3dy3 s ILE 3 Cb -0.09 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.68 3dy3 s ILE 3 CO -0.05 -0.21 0.04 -0.22 0.24 0.00 0.00 174.94 174.74 3dy3 s LEU 4 N -2.63 1.30 -0.09 0.37 2.96 0.48 0.66 118.68 121.73 3dy3 s LEU 4 Ca 0.17 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3dy3 s LEU 4 Cb -0.07 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.66 3dy3 s LEU 4 CO 0.08 -0.09 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.07 3dy3 s GLY 5 N 0.76 0.86 -0.04 7.98 0.00 0.41 0.54 107.32 117.83 3dy3 s GLY 5 Ca -0.06 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3dy3 s GLY 5 CO -0.02 0.40 -0.12 -0.42 0.00 0.00 0.00 173.10 172.93 3dy3 s ILE 6 N 1.12 1.07 -0.24 0.90 1.01 -0.18 0.03 121.20 124.91 3dy3 s ILE 6 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3dy3 s ILE 6 Cb -0.14 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3dy3 s ILE 6 CO -0.02 0.33 0.10 0.00 0.00 0.00 0.00 174.94 175.35 3dy3 s ALA 7 N 0.31 3.32 0.68 9.38 0.00 0.54 -0.33 121.76 135.65 3dy3 s ALA 7 Ca -0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3dy3 s ALA 7 Cb -0.12 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.93 3dy3 s ALA 7 CO 0.02 -0.33 0.48 0.41 0.00 0.00 0.00 175.76 176.34 3dy3 n GLY 8 N 4.60 0.12 0.12 0.00 0.00 0.24 -4.92 105.19 105.34 3dy3 n GLY 8 Ca -0.16 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 3dy3 n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dy3 h GLU 9 N 0.00 0.07 0.00 1.61 4.81 -1.92 -2.57 114.58 116.59 3dy3 h GLU 9 Ca -0.16 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3dy3 h GLU 9 Cb 0.53 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.68 3dy3 h GLU 9 CO 0.15 0.83 -0.83 -0.40 -0.73 0.00 0.00 179.01 178.02 3dy3 n ASP 10 N -3.65 0.90 -3.53 1.04 5.75 -1.26 -2.91 116.55 112.89 3dy3 n ASP 10 Ca -0.02 -2.24 -0.05 0.00 -0.01 0.00 0.00 54.79 52.48 3dy3 n ASP 10 Cb 0.76 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3dy3 n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3dy3 s PHE 11 N -0.44 -0.05 -0.01 2.11 -0.12 -1.26 -4.54 117.98 113.68 3dy3 s PHE 11 Ca 0.27 -0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 56.53 3dy3 s PHE 11 Cb 0.30 0.70 0.06 0.00 -0.63 0.00 0.00 43.02 43.45 3dy3 s PHE 11 CO -0.12 -1.05 0.56 0.00 -0.05 0.00 0.00 175.22 174.56 3dy3 s ALA 12 N -2.96 -1.45 0.03 1.99 0.00 -0.80 0.82 121.76 119.40 3dy3 s ALA 12 Ca 0.15 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.03 3dy3 s ALA 12 Cb -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3dy3 s ALA 12 CO 0.05 -0.40 -0.11 0.14 0.00 0.00 0.00 175.76 175.44 3dy3 s VAL 13 N -1.68 0.83 -0.13 0.00 -7.23 0.55 -0.57 120.40 112.17 3dy3 s VAL 13 Ca -0.09 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3dy3 s VAL 13 Cb -0.01 -0.78 0.04 0.00 0.56 0.00 0.00 36.38 36.19 3dy3 s VAL 13 CO 0.05 -0.07 0.00 -0.22 -0.31 0.00 0.00 175.10 174.55 3dy3 s LEU 14 N -1.06 0.94 0.36 1.32 0.20 -0.81 -1.01 118.68 118.61 3dy3 s LEU 14 Ca -0.01 -0.42 0.08 0.00 0.69 0.00 0.00 54.13 54.47 3dy3 s LEU 14 Cb -0.07 -0.57 -0.07 0.00 -0.43 0.00 0.00 46.19 45.05 3dy3 s LEU 14 CO 0.01 -0.23 -0.05 0.00 -0.29 0.00 0.00 176.35 175.79 3dy3 s ALA 15 N 1.88 2.91 -0.16 5.97 0.00 0.19 -1.90 121.76 130.66 3dy3 s ALA 15 Ca 0.03 -2.14 -0.30 0.00 0.00 0.00 0.00 51.96 49.54 3dy3 s ALA 15 Cb -0.14 0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.21 3dy3 s ALA 15 CO -0.07 -0.03 1.02 0.20 0.00 0.00 0.00 175.76 176.88 3dy3 s GLY 16 N -3.61 -0.26 0.78 0.00 0.00 -0.80 -0.39 107.32 103.03 3dy3 s GLY 16 Ca 0.33 1.99 -0.11 0.00 0.00 0.00 0.00 44.72 46.93 3dy3 s GLY 16 CO 0.16 0.97 1.08 0.51 0.00 0.00 0.00 173.10 175.83 3dy3 s ASP 17 N -1.24 4.60 -0.18 1.64 3.84 -1.07 -1.54 116.67 122.73 3dy3 s ASP 17 Ca -0.00 1.55 0.16 0.00 -0.00 0.00 0.00 52.55 54.25 3dy3 s ASP 17 Cb -0.01 -2.31 0.62 0.00 -1.38 0.00 0.00 42.92 39.85 3dy3 s ASP 17 CO 0.00 -1.94 1.53 0.35 -0.00 0.00 0.00 175.17 175.12 3dy3 n THR 18 N -3.44 2.29 -3.40 2.11 -2.24 0.87 -4.69 114.28 105.78 3dy3 n THR 18 Ca 0.08 -1.60 -0.37 0.00 -2.27 0.00 0.00 64.05 59.88 3dy3 n THR 18 Cb 0.54 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 3dy3 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dy3 s ARG 19 N -2.56 4.27 -0.13 -0.78 3.52 -1.26 -0.93 118.95 121.08 3dy3 s ARG 19 Ca 0.46 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 3dy3 s ARG 19 Cb 0.35 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3dy3 s ARG 19 CO 0.13 0.24 -0.18 1.21 -0.81 0.00 0.00 175.30 175.89 3dy3 s ASN 20 N 0.41 3.54 0.28 -2.12 3.84 -0.49 -4.20 114.94 116.21 3dy3 s ASN 20 Ca 0.23 -0.47 0.04 0.00 0.21 0.00 0.00 52.86 52.87 3dy3 s ASN 20 Cb -0.15 -1.52 -0.06 0.00 -0.55 0.00 0.00 41.25 38.97 3dy3 s ASN 20 CO 0.09 0.12 0.02 0.27 -2.79 0.00 0.00 177.10 174.81 3dy3 s ILE 21 N 0.57 1.20 -0.16 -5.21 -5.25 -0.50 -0.30 121.20 111.55 3dy3 s ILE 21 Ca -0.10 -2.04 -0.04 0.00 -0.99 0.00 0.00 60.65 57.48 3dy3 s ILE 21 Cb -0.16 -2.57 0.08 0.00 2.95 0.00 0.00 42.46 42.75 3dy3 s ILE 21 CO 0.04 -0.16 0.19 -0.89 -1.79 0.00 0.00 174.94 172.32 3dy3 s THR 22 N -3.30 -0.28 0.00 8.37 2.01 -0.88 -3.96 115.64 117.60 3dy3 s THR 22 Ca 0.33 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3dy3 s THR 22 Cb 0.07 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.02 3dy3 s THR 22 CO 0.13 -0.11 0.00 0.47 -0.69 0.00 0.00 174.62 174.41 3dy3 n ASP 23 N 5.32 0.00 -1.03 3.53 10.43 -1.26 -1.25 116.55 132.29 3dy3 n ASP 23 Ca -0.05 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.40 3dy3 n ASP 23 Cb 0.50 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.69 3dy3 n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3dy3 n TYR 24 N 10.28 0.70 -4.05 1.24 4.02 -1.26 -4.98 117.16 123.11 3dy3 n TYR 24 Ca 0.00 -0.45 -0.24 0.00 -0.01 0.00 0.00 57.90 57.20 3dy3 n TYR 24 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 3dy3 n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3dy3 s SER 25 N -1.05 5.77 -0.25 7.72 0.01 -0.38 -5.09 113.70 120.42 3dy3 s SER 25 Ca 0.37 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.46 3dy3 s SER 25 Cb 0.20 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 3dy3 s SER 25 CO 0.26 0.02 0.11 -0.63 0.41 0.00 0.00 173.24 173.41 3dy3 s ILE 26 N -1.89 4.74 0.03 1.44 1.01 -1.26 -2.08 121.20 123.19 3dy3 s ILE 26 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 3dy3 s ILE 26 Cb -0.09 -3.23 -0.33 0.00 0.01 0.00 0.00 42.46 38.82 3dy3 s ILE 26 CO 0.25 0.32 0.97 0.78 0.00 0.00 0.00 174.94 177.27 3dy3 h ASN 27 N 8.09 0.70 -4.22 3.58 2.35 -0.99 -3.48 115.58 121.61 3dy3 h ASN 27 Ca -0.37 -0.80 -0.05 0.00 -0.55 0.00 0.00 56.30 54.53 3dy3 h ASN 27 Cb 1.18 -0.23 -0.21 0.00 0.05 0.00 0.00 38.32 39.11 3dy3 h ASN 27 CO 0.58 1.63 0.11 -0.55 -1.65 0.00 0.00 177.43 177.56 3dy3 s SER 28 N -7.41 -0.70 0.14 5.81 0.15 -1.10 -5.00 113.70 105.59 3dy3 s SER 28 Ca -0.09 1.24 0.23 0.00 0.70 0.00 0.00 55.95 58.03 3dy3 s SER 28 Cb 0.05 1.22 0.21 0.00 -1.71 0.00 0.00 66.02 65.79 3dy3 s SER 28 CO 0.91 -0.32 1.21 0.03 1.20 0.00 0.00 173.24 176.27 3dy3 h ARG 29 N 4.59 0.00 -2.57 5.44 3.08 -1.88 -1.29 114.38 121.75 3dy3 h ARG 29 Ca -0.28 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.24 3dy3 h ARG 29 Cb 1.16 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.83 3dy3 h ARG 29 CO 0.14 0.00 -0.79 -0.47 -1.07 0.00 0.00 179.97 177.78 3dy3 s TYR 30 N -3.23 0.37 -0.34 3.04 5.04 -1.10 -4.00 117.35 117.13 3dy3 s TYR 30 Ca 0.04 -1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 53.52 3dy3 s TYR 30 Cb 0.12 -0.82 0.12 0.00 0.35 0.00 0.00 41.96 41.73 3dy3 s TYR 30 CO 0.75 -0.85 0.16 -2.00 -1.34 0.00 0.00 175.55 172.27 3dy3 s GLU 31 N 1.61 0.64 0.20 4.97 2.56 -0.11 -5.04 118.70 123.54 3dy3 s GLU 31 Ca 0.14 -1.17 -0.29 0.00 0.00 0.00 0.00 54.97 53.65 3dy3 s GLU 31 Cb -0.19 -1.67 -0.16 0.00 2.00 0.00 0.00 34.13 34.10 3dy3 s GLU 31 CO -0.17 -1.08 0.71 -2.30 -0.56 0.00 0.00 175.26 171.86 3dy3 n PRO 32 N 4.51 0.38 0.00 4.30 -0.02 -1.26 -4.70 135.00 138.21 3dy3 n PRO 32 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3dy3 n PRO 32 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3dy3 n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dy3 n LYS 33 N 1.02 1.73 -3.98 -0.52 4.81 -1.26 -5.02 118.16 114.95 3dy3 n LYS 33 Ca 0.16 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.26 3dy3 n LYS 33 Cb 0.25 -0.91 -0.10 0.00 0.02 0.00 0.00 35.03 34.30 3dy3 n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dy3 s VAL 34 N -1.68 4.84 0.03 3.15 1.01 -1.26 -4.42 120.40 122.08 3dy3 s VAL 34 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.04 3dy3 s VAL 34 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3dy3 s VAL 34 CO 0.00 0.46 -0.21 -0.36 0.00 0.00 0.00 175.10 174.99 3dy3 s PHE 35 N 0.39 1.85 -0.32 5.22 0.08 0.44 -4.96 117.98 120.66 3dy3 s PHE 35 Ca 0.03 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.50 3dy3 s PHE 35 Cb -0.12 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3dy3 s PHE 35 CO 0.00 0.08 0.68 0.34 -0.10 0.00 0.00 175.22 176.22 3dy3 s ASP 36 N -1.08 6.52 0.00 1.36 3.68 -1.26 -0.86 116.67 125.03 3dy3 s ASP 36 Ca 0.08 0.41 0.21 0.00 2.13 0.00 0.00 52.55 55.37 3dy3 s ASP 36 Cb -0.09 -2.35 0.52 0.00 -1.45 0.00 0.00 42.92 39.55 3dy3 s ASP 36 CO 0.01 -0.57 1.44 0.00 0.13 0.00 0.00 175.17 176.19 3dy3 n GLY 38 N 1.43 0.60 3.85 0.00 0.00 -1.25 -4.89 105.19 104.93 3dy3 n GLY 38 Ca 0.21 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3dy3 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dy3 n ASP 39 N -0.33 -2.40 -3.74 1.61 8.00 -1.26 -0.86 116.55 117.56 3dy3 n ASP 39 Ca 0.00 -0.69 -0.25 0.00 0.71 0.00 0.00 54.79 54.56 3dy3 n ASP 39 Cb 0.00 -2.05 0.04 0.00 -0.02 0.00 0.00 41.12 39.10 3dy3 n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dy3 n ASN 40 N -2.28 -3.34 -4.06 -2.24 5.03 -1.26 -4.83 115.26 102.28 3dy3 n ASN 40 Ca 0.06 -0.75 -0.28 0.00 0.87 0.00 0.00 54.58 54.48 3dy3 n ASN 40 Cb 0.49 -4.23 -0.17 0.00 -1.02 0.00 0.00 39.78 34.85 3dy3 n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dy3 s ILE 41 N -3.45 1.49 -0.01 2.41 1.01 -0.04 -4.39 121.20 118.23 3dy3 s ILE 41 Ca 0.33 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3dy3 s ILE 41 Cb -0.16 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3dy3 s ILE 41 CO 0.80 0.44 -0.11 0.68 0.00 0.00 0.00 174.94 176.75 3dy3 s VAL 42 N 0.90 3.34 0.03 2.92 -7.23 -0.55 -0.86 120.40 118.95 3dy3 s VAL 42 Ca -0.08 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3dy3 s VAL 42 Cb -0.15 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3dy3 s VAL 42 CO -0.00 0.44 0.04 -0.32 -0.31 0.00 0.00 175.10 174.95 3dy3 s MET 43 N -1.22 0.48 -0.19 4.82 0.00 -0.04 -0.32 119.30 122.83 3dy3 s MET 43 Ca 0.15 -0.73 -0.09 0.00 0.00 0.00 0.00 55.69 55.03 3dy3 s MET 43 Cb -0.11 0.18 0.08 0.00 0.00 0.00 0.00 34.83 34.98 3dy3 s MET 43 CO 0.05 -0.10 0.44 0.45 0.00 0.00 0.00 175.02 175.85 3dy3 s SER 44 N -1.91 -0.45 -0.55 1.11 0.15 -0.14 -0.42 113.70 111.49 3dy3 s SER 44 Ca -0.08 0.99 -0.04 0.00 0.70 0.00 0.00 55.95 57.52 3dy3 s SER 44 Cb -0.04 1.09 0.14 0.00 -1.71 0.00 0.00 66.02 65.51 3dy3 s SER 44 CO -0.03 -0.21 0.36 0.00 1.20 0.00 0.00 173.24 174.56 3dy3 s ALA 45 N 1.96 3.44 0.19 5.45 0.00 -1.26 -1.08 121.76 130.45 3dy3 s ALA 45 Ca -0.06 -2.97 -0.06 0.00 0.00 0.00 0.00 51.96 48.87 3dy3 s ALA 45 Cb -0.10 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 3dy3 s ALA 45 CO -0.13 -1.99 0.45 1.21 0.00 0.00 0.00 175.76 175.29 3dy3 s ASN 46 N 1.24 6.52 0.00 0.00 3.84 -0.82 -4.38 114.94 121.35 3dy3 s ASN 46 Ca 0.13 0.69 0.00 0.00 0.21 0.00 0.00 52.86 53.89 3dy3 s ASN 46 Cb -0.21 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 3dy3 s ASN 46 CO -0.04 -0.02 0.00 0.61 -2.79 0.00 0.00 177.10 174.87 3dy3 n GLY 47 N -0.13 1.05 3.47 1.21 0.00 -1.26 0.38 105.19 109.91 3dy3 n GLY 47 Ca -0.02 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3dy3 n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dy3 s PHE 48 N 0.00 2.77 0.31 1.61 5.36 -0.68 -2.14 117.98 125.20 3dy3 s PHE 48 Ca 0.00 -0.40 0.08 0.00 -0.96 0.00 0.00 56.93 55.65 3dy3 s PHE 48 Cb 0.00 -4.13 0.88 0.00 -0.34 0.00 0.00 43.02 39.43 3dy3 s PHE 48 CO 0.00 -1.47 1.66 0.00 -1.46 0.00 0.00 175.22 173.95 3dy3 h ALA 49 N 9.41 1.61 -0.53 11.12 0.00 -1.88 -0.55 119.26 138.43 3dy3 h ALA 49 Ca -0.28 0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3dy3 h ALA 49 Cb 1.07 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3dy3 h ALA 49 CO 1.13 -0.48 0.30 0.00 0.00 0.00 0.00 179.25 180.19 3dy3 h ALA 50 N 1.80 0.69 -0.32 0.00 0.00 -1.96 0.14 119.26 119.60 3dy3 h ALA 50 Ca 0.64 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.38 3dy3 h ALA 50 Cb 1.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dy3 h ALA 50 CO -0.61 -0.01 -0.45 -0.44 0.00 0.00 0.00 179.25 177.74 3dy3 h ASP 51 N 0.59 0.96 -0.80 0.00 3.45 -1.54 -2.38 116.42 116.70 3dy3 h ASP 51 Ca 0.22 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 57.19 3dy3 h ASP 51 Cb 0.07 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.53 3dy3 h ASP 51 CO -0.12 1.27 0.52 1.23 -1.57 0.00 0.00 179.24 180.57 3dy3 h GLY 52 N 0.67 1.13 1.11 2.75 0.00 -0.67 -0.10 103.07 107.95 3dy3 h GLY 52 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 3dy3 h GLY 52 CO 0.11 0.42 -0.36 -0.55 0.00 0.00 0.00 176.54 176.16 3dy3 h ASP 53 N 1.09 0.97 -0.06 0.19 3.45 -0.91 -1.96 116.42 119.18 3dy3 h ASP 53 Ca 0.29 -0.46 0.02 0.00 0.43 0.00 0.00 57.03 57.31 3dy3 h ASP 53 Cb -0.10 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.37 3dy3 h ASP 53 CO -0.06 1.24 -0.04 0.00 -1.57 0.00 0.00 179.24 178.80 3dy3 h ALA 54 N 0.77 0.01 0.94 3.45 0.00 -0.83 -0.57 119.26 123.04 3dy3 h ALA 54 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dy3 h ALA 54 Cb 0.96 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dy3 h ALA 54 CO 0.09 -0.52 -0.49 1.25 0.00 0.00 0.00 179.25 179.58 3dy3 h LEU 55 N -0.05 -1.18 -0.77 0.00 5.85 -1.00 -0.68 115.31 117.48 3dy3 h LEU 55 Ca 0.04 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.96 3dy3 h LEU 55 Cb 0.11 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3dy3 h LEU 55 CO -0.09 -0.80 0.31 0.58 -0.34 0.00 0.00 178.44 178.10 3dy3 h VAL 56 N -1.31 0.65 -0.48 1.05 2.07 -1.30 0.17 116.25 117.10 3dy3 h VAL 56 Ca -0.13 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dy3 h VAL 56 Cb 1.02 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3dy3 h VAL 56 CO 0.19 0.08 0.32 0.50 0.02 0.00 0.00 177.57 178.67 3dy3 h LYS 57 N 0.45 0.64 -0.56 1.57 3.64 -0.97 -0.67 116.57 120.67 3dy3 h LYS 57 Ca 0.43 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3dy3 h LYS 57 Cb 0.65 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3dy3 h LYS 57 CO -0.41 0.43 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.09 3dy3 h ARG 58 N 0.65 0.98 -0.07 1.90 2.43 0.50 -2.26 114.38 118.51 3dy3 h ARG 58 Ca 0.18 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3dy3 h ARG 58 Cb -0.07 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3dy3 h ARG 58 CO -0.04 0.97 -0.03 0.35 -1.51 0.00 0.00 179.97 179.71 3dy3 h PHE 59 N 0.89 0.16 -0.93 2.20 3.57 -0.44 -2.00 116.94 120.40 3dy3 h PHE 59 Ca 0.16 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.77 3dy3 h PHE 59 Cb 0.55 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 3dy3 h PHE 59 CO 0.04 0.52 0.59 0.87 -2.23 0.00 0.00 178.31 178.09 3dy3 h LYS 60 N -0.24 0.72 -0.17 1.11 1.57 -1.07 0.35 116.57 118.83 3dy3 h LYS 60 Ca 0.02 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3dy3 h LYS 60 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3dy3 h LYS 60 CO 0.01 0.47 -0.36 -0.97 -0.57 0.00 0.00 179.45 178.04 3dy3 h ASN 61 N 0.74 0.38 -0.16 0.86 -0.73 -1.24 -1.59 115.58 113.84 3dy3 h ASN 61 Ca 0.48 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.42 3dy3 h ASN 61 Cb 0.74 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 3dy3 h ASN 61 CO -0.24 0.71 -0.15 -1.28 -0.37 0.00 0.00 177.43 176.10 3dy3 h SER 62 N 0.31 0.54 -0.48 1.15 0.87 0.40 -1.86 113.55 114.48 3dy3 h SER 62 Ca 0.04 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3dy3 h SER 62 Cb 0.78 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3dy3 h SER 62 CO 0.06 0.72 -0.08 0.58 -0.53 0.00 0.00 176.83 177.58 3dy3 h VAL 63 N 0.51 1.27 -0.49 2.23 2.07 -0.75 -0.83 116.25 120.25 3dy3 h VAL 63 Ca 0.09 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.46 3dy3 h VAL 63 Cb 0.55 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3dy3 h VAL 63 CO 0.04 0.41 0.24 0.50 0.02 0.00 0.00 177.57 178.78 3dy3 h LYS 64 N 0.75 0.45 0.00 1.57 3.64 -0.69 -1.80 116.57 120.49 3dy3 h LYS 64 Ca 0.13 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 3dy3 h LYS 64 Cb 0.62 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3dy3 h LYS 64 CO 0.04 0.30 -0.63 -1.49 -2.27 0.00 0.00 179.45 175.40 3dy3 h TRP 65 N 0.47 0.00 -0.28 1.91 4.06 -1.23 -2.51 115.95 118.37 3dy3 h TRP 65 Ca 0.22 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.13 3dy3 h TRP 65 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3dy3 h TRP 65 CO -0.11 0.63 0.02 -0.92 -3.56 0.00 0.00 178.44 174.50 3dy3 h TYR 66 N 0.00 0.43 -0.15 0.49 3.20 -0.48 0.20 116.97 120.66 3dy3 h TYR 66 Ca -0.01 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3dy3 h TYR 66 Cb 1.16 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3dy3 h TYR 66 CO 0.00 0.42 -0.36 0.45 -1.64 0.00 0.00 178.16 177.03 3dy3 h HIS 67 N 0.41 0.65 0.57 -3.82 3.86 -1.05 -1.13 115.15 114.65 3dy3 h HIS 67 Ca 0.09 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 3dy3 h HIS 67 Cb 0.25 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 3dy3 h HIS 67 CO 0.01 0.98 -0.35 0.74 0.86 0.00 0.00 177.93 180.17 3dy3 h PHE 68 N 0.14 -0.93 -0.69 2.45 0.04 -0.94 0.77 116.94 117.79 3dy3 h PHE 68 Ca -0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.82 3dy3 h PHE 68 Cb 0.97 0.33 -0.04 0.00 2.20 0.00 0.00 35.95 39.40 3dy3 h PHE 68 CO 0.10 -0.52 0.45 -0.44 -0.60 0.00 0.00 178.31 177.30 3dy3 h ASP 69 N -0.86 0.64 -1.31 2.17 3.32 -0.72 -3.22 116.42 116.44 3dy3 h ASP 69 Ca -0.08 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.38 3dy3 h ASP 69 Cb 0.69 -0.14 -0.41 0.00 0.22 0.00 0.00 39.33 39.69 3dy3 h ASP 69 CO 0.08 0.42 -0.59 1.41 -1.72 0.00 0.00 179.24 178.83 3dy3 n HIS 70 N -4.47 3.19 -3.91 4.55 8.25 -0.43 -4.98 115.22 117.42 3dy3 n HIS 70 Ca 0.10 -2.80 -0.25 0.00 -0.26 0.00 0.00 57.72 54.51 3dy3 n HIS 70 Cb 0.21 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 3dy3 n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3dy3 n ASN 70 N -0.56 -0.48 -1.20 0.41 4.05 -0.98 -1.04 115.26 115.46 3dy3 n ASN 70 Ca 0.42 -0.97 -0.16 0.00 0.45 0.00 0.00 54.58 54.32 3dy3 n ASN 70 Cb 0.72 -3.23 -0.07 0.00 1.23 0.00 0.00 39.78 38.44 3dy3 n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3dy3 n ASP 71 N -3.00 -5.54 -4.73 1.20 8.00 0.27 -4.93 116.55 107.82 3dy3 n ASP 71 Ca -0.31 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 3dy3 n ASP 71 Cb 0.68 -4.46 -0.00 0.00 -0.02 0.00 0.00 41.12 37.32 3dy3 n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3dy3 n LYS 72 N -1.54 2.32 -2.31 -1.24 4.81 -0.20 -4.92 118.16 115.07 3dy3 n LYS 72 Ca -0.16 0.82 -0.41 0.00 -0.87 0.00 0.00 58.31 57.69 3dy3 n LYS 72 Cb 0.63 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.17 3dy3 n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dy3 s LYS 73 N -2.03 4.48 -0.35 1.64 2.20 -1.26 -4.64 119.74 119.79 3dy3 s LYS 73 Ca 0.55 1.97 -0.24 0.00 -0.36 0.00 0.00 55.97 57.89 3dy3 s LYS 73 Cb -0.52 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3dy3 s LYS 73 CO 0.62 -0.06 0.80 -1.17 -0.36 0.00 0.00 175.35 175.19 3dy3 s LEU 74 N -0.90 4.10 0.50 5.43 2.96 -1.26 -5.03 118.68 124.49 3dy3 s LEU 74 Ca 0.50 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.66 3dy3 s LEU 74 Cb -0.35 -3.06 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 3dy3 s LEU 74 CO 0.42 -0.72 1.14 -0.94 -1.32 0.00 0.00 176.35 174.93 3dy3 s SER 75 N 1.79 5.98 0.29 3.68 1.04 -1.26 -4.83 113.70 120.39 3dy3 s SER 75 Ca 0.32 2.21 0.04 0.00 0.48 0.00 0.00 55.95 59.00 3dy3 s SER 75 Cb -0.13 -2.59 0.70 0.00 0.10 0.00 0.00 66.02 64.09 3dy3 s SER 75 CO 0.16 -1.04 1.75 -0.29 0.98 0.00 0.00 173.24 174.80 3dy3 h ILE 76 N 1.53 0.64 -0.61 -1.02 6.09 -1.92 -0.05 117.51 122.17 3dy3 h ILE 76 Ca -0.50 -0.21 -0.04 0.00 -1.37 0.00 0.00 64.86 62.74 3dy3 h ILE 76 Cb 1.25 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 3dy3 h ILE 76 CO 0.59 0.11 0.21 -0.55 -3.07 0.00 0.00 178.15 175.44 3dy3 h ASN 77 N 0.62 0.88 -0.41 2.19 -1.07 -1.92 -1.06 115.58 114.81 3dy3 h ASN 77 Ca 0.55 -0.19 -0.07 0.00 0.07 0.00 0.00 56.30 56.66 3dy3 h ASN 77 Cb 0.90 -0.23 -0.02 0.00 -2.07 0.00 0.00 38.32 36.90 3dy3 h ASN 77 CO -0.42 0.83 0.02 0.28 0.07 0.00 0.00 177.43 178.22 3dy3 h SER 78 N 0.87 0.76 -0.28 6.14 0.02 -1.43 -1.69 113.55 117.94 3dy3 h SER 78 Ca 0.20 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3dy3 h SER 78 Cb 0.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3dy3 h SER 78 CO -0.01 0.81 0.08 0.00 -1.14 0.00 0.00 176.83 176.57 3dy3 h ALA 79 N 1.28 0.37 -0.61 3.77 0.00 -0.81 -0.86 119.26 122.40 3dy3 h ALA 79 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3dy3 h ALA 79 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3dy3 h ALA 79 CO 0.02 0.01 0.33 0.00 0.00 0.00 0.00 179.25 179.61 3dy3 h ALA 80 N 0.91 0.80 -0.57 0.00 0.00 -0.87 0.46 119.26 119.98 3dy3 h ALA 80 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3dy3 h ALA 80 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dy3 h ALA 80 CO -0.00 0.01 0.07 -0.09 0.00 0.00 0.00 179.25 179.24 3dy3 h ARG 81 N 0.63 0.96 -0.41 0.00 9.65 -1.10 -1.78 114.38 122.33 3dy3 h ARG 81 Ca 0.27 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3dy3 h ARG 81 Cb 0.15 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3dy3 h ARG 81 CO -0.16 0.93 0.23 -0.97 2.80 0.00 0.00 179.97 182.80 3dy3 h ASN 82 N 0.86 0.50 -0.61 -3.80 -0.00 -0.46 -2.30 115.58 109.77 3dy3 h ASN 82 Ca 0.17 -0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.39 3dy3 h ASN 82 Cb 0.46 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.62 3dy3 h ASN 82 CO 0.02 0.42 0.34 0.40 -0.00 0.00 0.00 177.43 178.61 3dy3 h ILE 83 N 0.53 1.19 -0.98 2.57 2.04 -0.74 -0.91 117.51 121.21 3dy3 h ILE 83 Ca 0.14 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3dy3 h ILE 83 Cb 0.03 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 3dy3 h ILE 83 CO -0.03 0.21 0.64 -0.61 0.00 0.00 0.00 178.15 178.37 3dy3 h GLN 84 N 0.88 1.13 -0.26 2.37 4.15 -0.77 0.08 115.11 122.68 3dy3 h GLN 84 Ca 0.22 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.41 3dy3 h GLN 84 Cb 0.03 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3dy3 h GLN 84 CO -0.04 0.75 -0.49 0.45 -1.93 0.00 0.00 178.83 177.57 3dy3 h HIS 85 N 1.16 1.00 -0.31 3.99 3.86 -0.88 0.10 115.15 124.07 3dy3 h HIS 85 Ca 0.42 -0.36 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3dy3 h HIS 85 Cb 0.15 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 3dy3 h HIS 85 CO -0.00 1.16 0.03 -0.07 0.86 0.00 0.00 177.93 179.91 3dy3 h LEU 86 N 0.54 -0.07 0.34 2.43 3.38 -0.49 0.72 115.31 122.17 3dy3 h LEU 86 Ca 0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dy3 h LEU 86 Cb 1.10 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3dy3 h LEU 86 CO 0.11 0.00 -0.16 -0.07 0.09 0.00 0.00 178.44 178.41 3dy3 h LEU 87 N 0.12 -0.39 -2.17 1.67 3.38 -0.96 -3.08 115.31 113.89 3dy3 h LEU 87 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dy3 h LEU 87 Cb 0.19 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dy3 h LEU 87 CO -0.23 -0.05 0.00 0.22 0.09 0.00 0.00 178.44 178.47 3dy3 h TYR 88 N -0.76 0.00 0.00 1.13 5.03 -0.86 0.54 116.97 122.04 3dy3 h TYR 88 Ca -0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.26 3dy3 h TYR 88 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.79 3dy3 h TYR 88 CO 0.02 0.00 0.00 0.41 -1.32 0.00 0.00 178.16 177.27 3dy3 n GLY 89 N -0.76 -0.99 1.44 1.82 0.00 0.24 -1.41 105.19 105.53 3dy3 n GLY 89 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3dy3 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dy3 n LYS 90 N -1.85 2.25 -0.00 1.61 5.02 0.18 -4.85 118.16 120.51 3dy3 n LYS 90 Ca 0.02 -3.54 0.23 0.00 -2.02 0.00 0.00 58.31 53.00 3dy3 n LYS 90 Cb 0.14 -1.72 0.72 0.00 -0.02 0.00 0.00 35.03 34.15 3dy3 n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3dy3 h ARG 91 N 1.60 0.00 -0.44 1.97 9.65 -1.26 0.49 114.38 126.40 3dy3 h ARG 91 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3dy3 h ARG 91 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 3dy3 h ARG 91 CO 0.32 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.28 3dy3 n PHE 92 N -3.86 0.65 -2.71 2.20 3.72 -1.26 -4.53 117.46 111.67 3dy3 n PHE 92 Ca 0.11 -0.53 -0.06 0.00 -0.05 0.00 0.00 57.45 56.92 3dy3 n PHE 92 Cb 0.77 -0.05 0.07 0.00 -0.94 0.00 0.00 39.48 39.33 3dy3 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dy3 n PHE 93 N 0.72 -1.94 -0.94 1.38 7.35 -0.49 -5.17 117.46 118.37 3dy3 n PHE 93 Ca 0.16 -1.28 -0.33 0.00 -0.76 0.00 0.00 57.45 55.24 3dy3 n PHE 93 Cb 0.52 1.35 0.13 0.00 0.35 0.00 0.00 39.48 41.83 3dy3 n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3dy3 n PRO 94 N 1.41 -0.08 -2.76 -7.13 -0.02 0.05 -4.81 135.00 121.65 3dy3 n PRO 94 Ca 0.05 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3dy3 n PRO 94 Cb 0.68 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3dy3 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dy3 s TYR 95 N -2.30 2.91 -0.90 6.00 1.51 -1.26 -4.91 117.35 118.40 3dy3 s TYR 95 Ca 0.68 0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 57.09 3dy3 s TYR 95 Cb -0.27 -4.07 -0.10 0.00 -0.11 0.00 0.00 41.96 37.42 3dy3 s TYR 95 CO 0.56 -1.12 2.05 0.98 -1.11 0.00 0.00 175.55 176.91 3dy3 n TYR 96 N 7.31 1.80 -4.00 2.71 9.36 -1.26 -4.75 117.16 128.33 3dy3 n TYR 96 Ca 0.08 -1.99 -0.08 0.00 3.32 0.00 0.00 57.90 59.22 3dy3 n TYR 96 Cb 0.49 -1.77 -0.10 0.00 -0.63 0.00 0.00 39.34 37.32 3dy3 n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3dy3 s VAL 97 N 4.15 0.16 -0.36 2.97 -7.23 -1.26 -1.69 120.40 117.14 3dy3 s VAL 97 Ca 0.50 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3dy3 s VAL 97 Cb 0.13 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 36.18 3dy3 s VAL 97 CO 0.04 -0.71 0.16 -2.28 -0.31 0.00 0.00 175.10 171.99 3dy3 s HIS 98 N -2.75 3.27 -0.06 2.82 2.46 0.16 -3.85 115.29 117.33 3dy3 s HIS 98 Ca -0.04 -1.31 -0.04 0.00 0.47 0.00 0.00 55.06 54.15 3dy3 s HIS 98 Cb -0.00 -2.43 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 3dy3 s HIS 98 CO -0.06 -0.72 0.11 -0.08 -2.47 0.00 0.00 174.74 171.52 3dy3 s THR 99 N 1.45 5.06 -0.00 0.89 -1.32 -1.25 -1.94 115.64 118.53 3dy3 s THR 99 Ca 0.00 -0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 3dy3 s THR 99 Cb -0.20 -3.25 -0.01 0.00 -1.51 0.00 0.00 72.50 67.53 3dy3 s THR 99 CO 0.04 0.50 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.21 3dy3 s ILE 100 N -1.09 0.85 0.08 5.08 1.01 -0.24 0.52 121.20 127.41 3dy3 s ILE 100 Ca 0.19 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3dy3 s ILE 100 Cb -0.12 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3dy3 s ILE 100 CO 0.09 0.18 -0.12 0.27 0.00 0.00 0.00 174.94 175.36 3dy3 s ILE 101 N -0.36 0.98 0.07 2.92 -4.36 -0.26 -0.96 121.20 119.23 3dy3 s ILE 101 Ca 0.03 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 3dy3 s ILE 101 Cb -0.05 -1.14 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 3dy3 s ILE 101 CO -0.00 -0.38 -0.06 0.00 0.24 0.00 0.00 174.94 174.73 3dy3 s ALA 102 N -1.77 0.79 0.00 2.27 0.00 0.56 -1.18 121.76 122.43 3dy3 s ALA 102 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3dy3 s ALA 102 Cb -0.07 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3dy3 s ALA 102 CO 0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3dy3 n GLY 103 N 0.48 -0.54 3.34 0.00 0.00 -0.60 -1.48 105.19 106.39 3dy3 n GLY 103 Ca -0.16 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3dy3 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dy3 s LEU 104 N 0.00 2.28 0.00 0.99 1.43 -1.26 -0.24 118.68 121.88 3dy3 s LEU 104 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3dy3 s LEU 104 Cb 0.00 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3dy3 s LEU 104 CO 0.00 0.29 0.00 -0.90 0.23 0.00 0.00 176.35 175.97 3dy3 n ASP 105 N 2.68 -0.70 -0.06 2.29 5.68 0.15 -4.44 116.55 122.15 3dy3 n ASP 105 Ca -0.17 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 3dy3 n ASP 105 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3dy3 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dy3 n GLU 106 N -1.28 0.89 0.00 0.11 1.02 -1.26 -2.49 120.64 117.63 3dy3 n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dy3 n GLU 106 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3dy3 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dy3 n ASP 10 N -0.43 1.27 0.00 1.62 10.43 -1.26 -4.97 116.55 123.20 3dy3 n ASP 10 Ca 0.00 -1.46 0.00 0.00 2.57 0.00 0.00 54.79 55.90 3dy3 n ASP 10 Cb 0.03 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.99 3dy3 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dy3 n GLY 10 N -0.23 0.83 3.78 0.44 0.00 -1.04 -5.03 105.19 103.94 3dy3 n GLY 10 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dy3 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy3 s LYS 107 N -0.22 4.52 0.43 1.61 -0.14 -1.26 -4.34 119.74 120.35 3dy3 s LYS 107 Ca 0.00 1.41 -0.26 0.00 -1.36 0.00 0.00 55.97 55.76 3dy3 s LYS 107 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3dy3 s LYS 107 CO 0.00 0.20 1.41 0.20 -0.76 0.00 0.00 175.35 176.40 3dy3 s GLY 108 N -1.53 2.92 -0.05 -3.33 0.00 -0.97 -0.67 107.32 103.69 3dy3 s GLY 108 Ca 0.51 1.43 -0.05 0.00 0.00 0.00 0.00 44.72 46.60 3dy3 s GLY 108 CO 0.26 2.04 0.15 0.00 0.00 0.00 0.00 173.10 175.55 3dy3 s ALA 109 N -1.20 -0.37 -0.02 3.20 0.00 0.66 -4.74 121.76 119.29 3dy3 s ALA 109 Ca 0.59 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.97 3dy3 s ALA 109 Cb -0.43 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3dy3 s ALA 109 CO 0.56 -0.08 -0.07 0.08 0.00 0.00 0.00 175.76 176.25 3dy3 s VAL 110 N 0.02 0.61 -0.06 0.00 1.01 -1.24 -1.55 120.40 119.19 3dy3 s VAL 110 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3dy3 s VAL 110 Cb -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3dy3 s VAL 110 CO 0.00 0.20 -0.16 -0.31 0.00 0.00 0.00 175.10 174.84 3dy3 s TYR 111 N 0.29 1.69 -0.00 5.22 2.02 -0.33 0.01 117.35 126.25 3dy3 s TYR 111 Ca -0.04 -0.57 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 3dy3 s TYR 111 Cb -0.08 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3dy3 s TYR 111 CO 0.00 -0.24 -0.24 -1.54 -1.57 0.00 0.00 175.55 171.96 3dy3 s SER 112 N 0.33 2.84 0.41 2.29 1.04 -1.01 -1.10 113.70 118.50 3dy3 s SER 112 Ca -0.10 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 55.93 3dy3 s SER 112 Cb -0.14 -0.30 -0.06 0.00 0.10 0.00 0.00 66.02 65.62 3dy3 s SER 112 CO 0.04 0.28 0.13 -0.36 0.98 0.00 0.00 173.24 174.30 3dy3 s PHE 113 N -0.63 2.57 0.32 5.02 0.40 0.19 -2.58 117.98 123.26 3dy3 s PHE 113 Ca 0.09 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 3dy3 s PHE 113 Cb -0.09 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3dy3 s PHE 113 CO -0.00 0.26 0.49 0.34 0.70 0.00 0.00 175.22 177.01 3dy3 s ASP 114 N -3.85 6.23 0.58 1.36 3.68 0.78 -3.96 116.67 121.49 3dy3 s ASP 114 Ca 0.39 0.24 0.36 0.00 2.13 0.00 0.00 52.55 55.67 3dy3 s ASP 114 Cb 0.06 -1.85 1.67 0.00 -1.45 0.00 0.00 42.92 41.35 3dy3 s ASP 114 CO 0.21 -0.27 2.10 -0.65 0.13 0.00 0.00 175.17 176.69 3dy3 h PRO 115 N 0.88 0.00 -0.40 4.34 0.11 -1.86 -2.76 132.00 132.32 3dy3 h PRO 115 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dy3 h PRO 115 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dy3 h PRO 115 CO 0.60 0.01 0.00 1.33 -0.21 0.00 0.00 178.00 179.73 3dy3 n VAL 116 N -3.13 1.41 0.00 3.15 0.24 -1.26 -4.12 118.33 114.62 3dy3 n VAL 116 Ca -0.01 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3dy3 n VAL 116 Cb 0.24 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3dy3 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dy3 n GLY 117 N 0.46 2.07 3.75 7.63 0.00 -1.04 -3.43 105.19 114.62 3dy3 n GLY 117 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dy3 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dy3 s SER 118 N -1.75 6.39 0.01 1.61 0.15 -1.26 -4.62 113.70 114.22 3dy3 s SER 118 Ca 0.00 2.94 -0.08 0.00 0.70 0.00 0.00 55.95 59.51 3dy3 s SER 118 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3dy3 s SER 118 CO 0.00 -0.89 0.16 -0.72 1.20 0.00 0.00 173.24 173.00 3dy3 s TYR 119 N -0.18 0.02 0.01 3.44 -0.85 -1.26 -0.16 117.35 118.37 3dy3 s TYR 119 Ca 0.61 -0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 3dy3 s TYR 119 Cb -0.47 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 41.83 3dy3 s TYR 119 CO 0.50 -0.32 0.06 -2.00 -1.52 0.00 0.00 175.55 172.26 3dy3 s GLU 120 N -1.59 0.38 0.16 -3.49 2.56 -1.07 -5.01 118.70 110.65 3dy3 s GLU 120 Ca -0.13 -0.47 -0.17 0.00 0.00 0.00 0.00 54.97 54.20 3dy3 s GLU 120 Cb -0.06 0.15 -0.07 0.00 2.00 0.00 0.00 34.13 36.15 3dy3 s GLU 120 CO 0.01 -0.08 0.62 0.50 -0.56 0.00 0.00 175.26 175.75 3dy3 s ARG 121 N -1.35 4.13 0.12 4.30 3.52 -1.26 -2.41 118.95 125.99 3dy3 s ARG 121 Ca -0.15 0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 3dy3 s ARG 121 Cb -0.08 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 3dy3 s ARG 121 CO 0.00 0.48 0.12 -1.21 -0.81 0.00 0.00 175.30 173.88 3dy3 s GLU 122 N -1.81 0.91 -0.02 5.12 2.02 0.10 -4.98 118.70 120.04 3dy3 s GLU 122 Ca 0.38 -1.25 -0.24 0.00 0.02 0.00 0.00 54.97 53.88 3dy3 s GLU 122 Cb -0.17 0.29 -0.20 0.00 0.10 0.00 0.00 34.13 34.15 3dy3 s GLU 122 CO 0.20 -0.27 1.19 0.37 0.02 0.00 0.00 175.26 176.76 3dy3 h GLN 123 N 2.82 0.16 -2.41 1.61 5.75 -1.93 -3.27 115.11 117.84 3dy3 h GLN 123 Ca -0.34 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 3dy3 h GLN 123 Cb 1.19 0.02 -0.18 0.00 1.07 0.00 0.00 27.48 29.58 3dy3 h GLN 123 CO 0.57 0.73 0.09 0.00 -2.65 0.00 0.00 178.83 177.57 3dy3 s ARG 125 N -1.72 0.59 -0.03 0.00 6.06 0.10 -4.99 118.95 118.97 3dy3 s ARG 125 Ca -0.09 0.96 -0.00 0.00 -2.50 0.00 0.00 55.73 54.10 3dy3 s ARG 125 Cb -0.01 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 35.10 3dy3 s ARG 125 CO 0.05 -0.13 0.03 0.00 -2.50 0.00 0.00 175.30 172.74 3dy3 s ALA 126 N 1.19 3.39 0.03 6.12 0.00 -1.26 -0.45 121.76 130.79 3dy3 s ALA 126 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3dy3 s ALA 126 Cb -0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 3dy3 s ALA 126 CO -0.12 0.64 -0.05 0.20 0.00 0.00 0.00 175.76 176.43 3dy3 s GLY 127 N -1.39 0.38 0.00 0.00 0.00 0.21 -4.84 107.32 101.69 3dy3 s GLY 127 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3dy3 s GLY 127 CO 0.09 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.03 3dy3 n GLY 128 N 1.46 -1.23 0.29 0.20 0.00 -1.26 0.92 105.19 105.57 3dy3 n GLY 128 Ca -0.23 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 3dy3 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 h ALA 129 N 0.00 -0.63 -0.28 4.61 0.00 -1.31 -2.71 119.26 118.94 3dy3 h ALA 129 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dy3 h ALA 129 Cb 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3dy3 h ALA 129 CO 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 179.25 178.50 3dy3 n ALA 130 N -2.93 3.23 -0.23 0.00 0.00 -1.26 -4.42 120.51 114.89 3dy3 n ALA 130 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.49 3dy3 n ALA 130 Cb 0.22 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.69 3dy3 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dy3 h ALA 131 N 2.67 0.89 0.00 0.00 0.00 -1.74 0.55 119.26 121.63 3dy3 h ALA 131 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dy3 h ALA 131 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dy3 h ALA 131 CO 0.26 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.26 3dy3 h SER 132 N 0.72 0.00 0.35 0.00 4.64 -1.82 -0.10 113.55 117.34 3dy3 h SER 132 Ca 0.29 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.29 3dy3 h SER 132 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3dy3 h SER 132 CO -0.16 0.00 -1.76 -0.07 -0.87 0.00 0.00 176.83 173.97 3dy3 h LEU 133 N 0.00 0.25 0.13 5.97 4.07 -1.30 -3.41 115.31 121.02 3dy3 h LEU 133 Ca 0.00 -0.49 -0.28 0.00 0.08 0.00 0.00 57.88 57.18 3dy3 h LEU 133 Cb 0.34 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3dy3 h LEU 133 CO 0.00 1.43 -1.44 0.40 -1.08 0.00 0.00 178.44 177.76 3dy3 h ILE 134 N 0.04 1.04 -0.47 1.22 2.04 -0.64 -3.39 117.51 117.36 3dy3 h ILE 134 Ca -0.32 -2.43 0.10 0.00 1.00 0.00 0.00 64.86 63.21 3dy3 h ILE 134 Cb 2.02 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 40.76 3dy3 h ILE 134 CO 0.10 0.73 -0.17 0.24 0.00 0.00 0.00 178.15 179.06 3dy3 h MET 135 N -0.24 -0.06 -0.98 2.37 2.86 -1.25 -0.63 114.93 117.01 3dy3 h MET 135 Ca -0.30 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.47 3dy3 h MET 135 Cb 1.81 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.40 3dy3 h MET 135 CO 0.09 -0.04 0.62 -1.35 1.06 0.00 0.00 176.91 177.28 3dy3 h PRO 136 N -0.06 0.88 0.01 -0.22 0.11 -1.79 0.18 132.00 131.11 3dy3 h PRO 136 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3dy3 h PRO 136 Cb 0.41 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3dy3 h PRO 136 CO -0.52 0.58 -0.00 0.35 -0.21 0.00 0.00 178.00 178.20 3dy3 h PHE 137 N 0.90 -0.01 -0.14 0.65 3.57 -1.37 -2.42 116.94 118.11 3dy3 h PHE 137 Ca 0.49 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.95 3dy3 h PHE 137 Cb 0.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3dy3 h PHE 137 CO -0.00 0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.00 3dy3 h LEU 138 N -0.10 0.20 -0.91 0.59 4.07 0.06 0.71 115.31 119.93 3dy3 h LEU 138 Ca -0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 3dy3 h LEU 138 Cb 0.10 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 3dy3 h LEU 138 CO 0.00 0.32 0.16 0.44 -1.08 0.00 0.00 178.44 178.28 3dy3 h ASP 139 N 0.21 0.90 0.00 -0.43 3.32 -0.36 -0.91 116.42 119.15 3dy3 h ASP 139 Ca 0.05 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3dy3 h ASP 139 Cb 0.29 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3dy3 h ASP 139 CO 0.01 0.86 -0.04 -1.13 -1.72 0.00 0.00 179.24 177.23 3dy3 h ASN 140 N 0.92 0.03 0.80 6.45 -0.00 -0.87 -1.97 115.58 120.93 3dy3 h ASN 140 Ca 0.20 -0.89 0.00 0.00 -0.00 0.00 0.00 56.30 55.61 3dy3 h ASN 140 Cb 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.63 3dy3 h ASN 140 CO -0.00 0.91 -0.69 0.00 -0.00 0.00 0.00 177.43 177.65 3dy3 n GLN 141 N -4.64 0.29 -0.08 6.67 1.13 0.16 -2.44 117.38 118.48 3dy3 n GLN 141 Ca -0.10 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 54.94 3dy3 n GLN 141 Cb 0.45 -1.67 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 3dy3 n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3dy3 n VAL 142 N -2.09 0.96 -0.21 5.09 0.31 -0.35 -4.60 118.33 117.45 3dy3 n VAL 142 Ca 0.03 -0.47 0.05 0.00 -0.01 0.00 0.00 64.34 63.93 3dy3 n VAL 142 Cb 0.44 -0.89 0.13 0.00 -0.91 0.00 0.00 33.84 32.61 3dy3 n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dy3 n ASN 143 N -2.77 2.79 -3.26 4.52 3.02 -1.18 -4.99 115.26 113.40 3dy3 n ASN 143 Ca -0.27 -2.09 -0.20 0.00 -0.03 0.00 0.00 54.58 52.00 3dy3 n ASN 143 Cb 0.88 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 3dy3 n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3dy3 n PHE 144 N 0.20 -1.69 -1.84 3.10 3.72 -1.02 -4.90 117.46 115.03 3dy3 n PHE 144 Ca 0.10 0.35 -0.39 0.00 -0.05 0.00 0.00 57.45 57.45 3dy3 n PHE 144 Cb 0.43 -2.31 0.02 0.00 -0.94 0.00 0.00 39.48 36.68 3dy3 n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dy3 s LYS 14 N -5.88 3.57 -0.65 -1.08 -0.14 -0.75 -2.41 119.74 112.41 3dy3 s LYS 14 Ca 0.34 2.32 0.00 0.00 -1.36 0.00 0.00 55.97 57.27 3dy3 s LYS 14 Cb -0.19 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3dy3 s LYS 14 CO 0.41 -0.87 0.00 0.09 -0.76 0.00 0.00 175.35 174.22 3dy3 n ASN 14 N -0.39 -5.74 -4.55 2.83 4.13 -1.26 -4.64 115.26 105.64 3dy3 n ASN 14 Ca 0.06 0.15 -0.34 0.00 1.68 0.00 0.00 54.58 56.14 3dy3 n ASN 14 Cb 0.43 -3.78 -0.11 0.00 -1.54 0.00 0.00 39.78 34.78 3dy3 n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3dy3 s GLN 14 N -2.46 3.76 0.36 3.52 -0.21 -1.01 -5.09 119.66 118.52 3dy3 s GLN 14 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 55.36 54.99 3dy3 s GLN 14 Cb 0.00 -3.01 -0.07 0.00 1.00 0.00 0.00 33.01 30.93 3dy3 s GLN 14 CO 0.00 0.27 -0.00 0.71 -2.12 0.00 0.00 175.29 174.15 3dy3 s TYR 14 N 0.31 2.25 -0.12 0.91 2.02 -1.26 -1.35 117.35 120.12 3dy3 s TYR 14 Ca -0.01 -0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 3dy3 s TYR 14 Cb -0.13 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 3dy3 s TYR 14 CO 0.02 0.31 1.14 -1.21 -1.57 0.00 0.00 175.55 174.24 3dy3 s GLU 14 N -3.75 4.33 0.31 -0.62 0.41 0.16 -4.64 118.70 114.90 3dy3 s GLU 14 Ca 0.34 1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 56.17 3dy3 s GLU 14 Cb 0.08 -3.61 -0.12 0.00 -1.78 0.00 0.00 34.13 28.69 3dy3 s GLU 14 CO 0.16 -0.50 1.38 -2.30 -0.49 0.00 0.00 175.26 173.51 3dy3 n PRO 14 N 5.62 2.23 0.00 0.39 -0.02 -1.26 -1.62 135.00 140.34 3dy3 n PRO 14 Ca 0.11 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3dy3 n PRO 14 Cb 0.46 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dy3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dy3 n GLY 14 N 1.28 2.96 0.07 -1.23 0.00 -1.26 -4.82 105.19 102.19 3dy3 n GLY 14 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dy3 n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dy3 n THR 14 N -2.00 0.03 -3.54 2.61 -2.24 -0.64 -4.86 114.28 103.64 3dy3 n THR 14 Ca 0.00 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 3dy3 n THR 14 Cb 0.00 -0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.28 3dy3 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dy3 n ASN 1 N -0.42 -2.15 -4.35 3.42 4.05 -1.26 -2.12 115.26 112.43 3dy3 n ASN 1 Ca 0.01 -0.68 -0.33 0.00 0.45 0.00 0.00 54.58 54.02 3dy3 n ASN 1 Cb 0.03 -4.76 -0.09 0.00 1.23 0.00 0.00 39.78 36.19 3dy3 n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dy3 n GLY 14 N -1.34 -0.19 0.00 8.20 0.00 -1.26 -4.78 105.19 105.82 3dy3 n GLY 14 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3dy3 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dy3 n LYS 14 N -4.47 0.60 -2.77 1.61 4.76 -0.90 -5.06 118.16 111.93 3dy3 n LYS 14 Ca -0.23 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.09 3dy3 n LYS 14 Cb 0.64 -1.02 -0.01 0.00 -1.84 0.00 0.00 35.03 32.80 3dy3 n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dy3 n VAL 14 N -1.60 0.00 -4.18 -0.18 0.31 -1.26 -5.05 118.33 106.36 3dy3 n VAL 14 Ca -0.00 -0.91 -0.34 0.00 -0.01 0.00 0.00 64.34 63.07 3dy3 n VAL 14 Cb 0.09 -0.04 -0.10 0.00 -0.91 0.00 0.00 33.84 32.88 3dy3 n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3dy3 s LYS 14 N -2.80 3.74 0.33 5.55 2.20 -0.46 0.35 119.74 128.66 3dy3 s LYS 14 Ca 0.05 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 3dy3 s LYS 14 Cb -0.00 -3.06 -0.12 0.00 -1.51 0.00 0.00 37.83 33.14 3dy3 s LYS 14 CO 0.03 0.33 1.45 -0.35 -0.36 0.00 0.00 175.35 176.45 3dy3 n PRO 14 N 3.32 2.45 -0.16 4.03 -0.04 -1.26 -4.89 135.00 138.45 3dy3 n PRO 14 Ca -0.17 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3dy3 n PRO 14 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3dy3 n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dy3 n LEU 14 N 1.12 3.05 -4.50 1.53 4.77 -1.26 -4.95 117.00 116.76 3dy3 n LEU 14 Ca 0.05 -1.44 -0.52 0.00 -0.03 0.00 0.00 56.01 54.07 3dy3 n LEU 14 Cb 0.37 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3dy3 n LEU 14 CO 0.63 0.54 0.45 1.17 -1.33 0.00 0.00 177.39 178.86 3dy3 n LYS 14 N 1.02 0.40 -3.30 3.23 4.81 -1.26 -4.87 118.16 118.19 3dy3 n LYS 14 Ca 0.00 0.14 -0.34 0.00 -0.87 0.00 0.00 58.31 57.24 3dy3 n LYS 14 Cb 0.38 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 3dy3 n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3dy3 s TYR 145 N -0.36 3.51 0.52 5.64 6.14 -1.26 -5.07 117.35 126.47 3dy3 s TYR 145 Ca 0.77 1.07 -0.18 0.00 0.64 0.00 0.00 57.07 59.37 3dy3 s TYR 145 Cb -1.03 -2.39 -0.07 0.00 0.42 0.00 0.00 41.96 38.89 3dy3 s TYR 145 CO 0.55 0.30 1.02 -0.51 0.64 0.00 0.00 175.55 177.55 3dy3 s LEU 146 N -2.44 3.69 0.26 6.97 1.43 -1.26 -5.06 118.68 122.27 3dy3 s LEU 146 Ca 0.45 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 3dy3 s LEU 146 Cb -0.13 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 3dy3 s LEU 146 CO 0.20 -0.80 0.40 -0.94 0.23 0.00 0.00 176.35 175.43 3dy3 s SER 147 N -2.55 6.32 0.35 2.29 1.04 -1.26 -4.53 113.70 115.36 3dy3 s SER 147 Ca 0.63 0.15 0.11 0.00 0.48 0.00 0.00 55.95 57.33 3dy3 s SER 147 Cb -0.14 -1.90 0.88 0.00 0.10 0.00 0.00 66.02 64.97 3dy3 s SER 147 CO 0.28 -0.11 1.82 1.62 0.98 0.00 0.00 173.24 177.82 3dy3 h VAL 148 N 1.09 0.71 -0.50 5.02 3.04 -1.99 0.10 116.25 123.74 3dy3 h VAL 148 Ca -0.51 -0.21 -0.10 0.00 -1.01 0.00 0.00 66.70 64.86 3dy3 h VAL 148 Cb 1.23 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 3dy3 h VAL 148 CO 0.61 0.11 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.87 3dy3 h GLU 149 N 0.62 0.93 -0.40 4.17 3.07 -1.99 -0.77 114.58 120.21 3dy3 h GLU 149 Ca 0.52 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 3dy3 h GLU 149 Cb 0.99 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3dy3 h GLU 149 CO -0.28 1.00 -0.09 1.49 -1.40 0.00 0.00 179.01 179.74 3dy3 h GLU 150 N 0.79 0.76 0.22 2.33 4.57 -1.48 -2.90 114.58 118.88 3dy3 h GLU 150 Ca 0.13 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3dy3 h GLU 150 Cb 0.63 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3dy3 h GLU 150 CO 0.04 0.89 -0.14 0.28 -1.18 0.00 0.00 179.01 178.90 3dy3 h VAL 151 N 0.58 0.70 -0.12 0.32 2.07 -0.73 -2.13 116.25 116.93 3dy3 h VAL 151 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3dy3 h VAL 151 Cb 0.60 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3dy3 h VAL 151 CO 0.04 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.23 3dy3 h ILE 152 N -0.35 0.27 -0.05 4.57 2.04 -1.12 -0.28 117.51 122.59 3dy3 h ILE 152 Ca -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 3dy3 h ILE 152 Cb 0.30 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3dy3 h ILE 152 CO 0.02 0.00 -0.48 0.11 0.00 0.00 0.00 178.15 177.79 3dy3 h LYS 153 N 0.00 0.42 -0.57 2.37 1.57 -1.18 -2.07 116.57 117.11 3dy3 h LYS 153 Ca 0.06 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 3dy3 h LYS 153 Cb 0.45 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3dy3 h LYS 153 CO -0.00 1.03 0.09 -0.07 -0.57 0.00 0.00 179.45 179.93 3dy3 h LEU 154 N -0.06 0.86 0.12 2.94 3.38 -0.90 -0.58 115.31 121.07 3dy3 h LEU 154 Ca -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3dy3 h LEU 154 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3dy3 h LEU 154 CO 0.10 0.87 -0.06 0.58 0.09 0.00 0.00 178.44 180.03 3dy3 h VAL 155 N 0.86 0.97 -0.82 1.22 2.07 -1.11 0.35 116.25 119.79 3dy3 h VAL 155 Ca 0.18 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3dy3 h VAL 155 Cb 0.38 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3dy3 h VAL 155 CO 0.01 0.07 0.45 0.03 0.02 0.00 0.00 177.57 178.15 3dy3 h ARG 156 N -0.29 1.15 -0.32 1.57 3.08 -1.20 -1.25 114.38 117.10 3dy3 h ARG 156 Ca -0.02 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 3dy3 h ARG 156 Cb 0.24 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3dy3 h ARG 156 CO 0.03 0.85 -0.31 -0.44 -1.07 0.00 0.00 179.97 179.02 3dy3 h ASP 157 N 1.14 0.72 -0.92 7.04 3.45 -0.97 0.25 116.42 127.13 3dy3 h ASP 157 Ca 0.29 -0.29 0.01 0.00 0.43 0.00 0.00 57.03 57.47 3dy3 h ASP 157 Cb 0.04 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 38.56 3dy3 h ASP 157 CO -0.05 0.98 0.60 0.28 -1.57 0.00 0.00 179.24 179.49 3dy3 h SER 158 N 0.59 1.07 0.65 6.45 0.02 0.31 -1.03 113.55 121.60 3dy3 h SER 158 Ca 0.07 -0.03 -0.27 0.00 -0.84 0.00 0.00 61.79 60.71 3dy3 h SER 158 Cb 0.82 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3dy3 h SER 158 CO 0.07 0.78 -1.24 -0.26 -1.14 0.00 0.00 176.83 175.04 3dy3 h PHE 159 N 1.26 0.46 -0.07 3.45 -1.00 -0.97 -1.79 116.94 118.28 3dy3 h PHE 159 Ca 0.34 -0.34 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 3dy3 h PHE 159 Cb -0.13 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 3dy3 h PHE 159 CO -0.00 1.27 -0.32 1.79 -1.61 0.00 0.00 178.31 179.44 3dy3 h THR 160 N 0.07 1.25 -0.03 -1.55 1.35 -0.77 0.73 112.91 113.95 3dy3 h THR 160 Ca -0.13 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 3dy3 h THR 160 Cb 1.96 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3dy3 h THR 160 CO 0.20 0.35 -0.06 0.28 -0.25 0.00 0.00 175.52 176.04 3dy3 h SER 161 N 0.11 0.11 -0.40 5.36 0.02 -1.18 -2.86 113.55 114.72 3dy3 h SER 161 Ca 0.01 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3dy3 h SER 161 Cb 0.62 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 3dy3 h SER 161 CO 0.04 0.65 0.19 0.00 -1.14 0.00 0.00 176.83 176.57 3dy3 h ALA 162 N 0.47 0.49 -0.28 3.77 0.00 -1.06 -0.97 119.26 121.67 3dy3 h ALA 162 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3dy3 h ALA 162 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dy3 h ALA 162 CO 0.01 -0.18 0.31 1.15 0.00 0.00 0.00 179.25 180.54 3dy3 h THR 163 N 0.38 0.43 0.21 0.00 2.02 -0.87 0.31 112.91 115.40 3dy3 h THR 163 Ca 0.17 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.03 3dy3 h THR 163 Cb 0.10 0.75 0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3dy3 h THR 163 CO -0.13 0.00 -1.45 -0.33 0.37 0.00 0.00 175.52 173.98 3dy3 h GLU 164 N 0.00 0.45 -0.01 6.66 4.39 -0.94 -3.39 114.58 121.74 3dy3 h GLU 164 Ca 0.13 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3dy3 h GLU 164 Cb 0.75 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3dy3 h GLU 164 CO -0.00 1.36 -0.35 0.54 -1.16 0.00 0.00 179.01 179.40 3dy3 n ARG 165 N -3.65 1.80 -4.01 2.33 5.12 -0.56 -4.92 116.66 112.77 3dy3 n ARG 165 Ca -0.15 -0.69 -0.30 0.00 -1.93 0.00 0.00 57.85 54.78 3dy3 n ARG 165 Cb 1.08 -1.23 -0.16 0.00 -1.16 0.00 0.00 32.46 30.98 3dy3 n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3dy3 s HIS 166 N -1.85 2.14 0.20 -1.55 2.46 0.99 -5.02 115.29 112.66 3dy3 s HIS 166 Ca 0.12 -1.21 0.34 0.00 0.47 0.00 0.00 55.06 54.78 3dy3 s HIS 166 Cb 0.12 -1.58 1.73 0.00 -0.13 0.00 0.00 32.58 32.72 3dy3 s HIS 166 CO 0.40 -0.66 2.04 -0.84 -2.47 0.00 0.00 174.74 173.20 3dy3 h ILE 167 N 6.07 0.00 -0.00 0.89 3.07 -1.88 -2.28 117.51 123.38 3dy3 h ILE 167 Ca -0.38 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3dy3 h ILE 167 Cb 1.13 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 3dy3 h ILE 167 CO 0.52 0.00 -0.47 0.00 -1.05 0.00 0.00 178.15 177.16 3dy3 n GLN 168 N -2.77 0.31 -4.07 0.16 6.02 -1.26 -4.87 117.38 110.89 3dy3 n GLN 168 Ca -0.01 -0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 3dy3 n GLN 168 Cb 0.13 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 3dy3 n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dy3 s VAL 169 N -2.83 4.76 -4.42 5.09 1.01 -0.86 -4.33 120.40 118.83 3dy3 s VAL 169 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3dy3 s VAL 169 Cb 0.18 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3dy3 s VAL 169 CO 0.65 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.87 3dy3 n GLY 170 N 3.08 -0.61 5.00 4.51 0.00 -1.26 -4.38 105.19 111.53 3dy3 n GLY 170 Ca -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3dy3 n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dy3 n ASP 171 N 0.33 0.00 -3.46 1.61 8.00 -0.54 -4.10 116.55 118.38 3dy3 n ASP 171 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3dy3 n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3dy3 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dy3 s GLY 172 N 0.00 -0.57 -0.14 0.44 0.00 -1.26 -0.97 107.32 104.81 3dy3 s GLY 172 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3dy3 s GLY 172 CO 0.00 0.40 -0.11 -2.27 0.00 0.00 0.00 173.10 171.12 3dy3 s LEU 173 N -2.29 1.57 -0.14 0.66 2.96 0.27 -0.09 118.68 121.62 3dy3 s LEU 173 Ca -0.01 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3dy3 s LEU 173 Cb -0.01 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 3dy3 s LEU 173 CO -0.07 -0.09 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.04 3dy3 s GLU 174 N 1.56 3.33 -0.02 1.98 2.12 -0.59 -0.26 118.70 126.81 3dy3 s GLU 174 Ca 0.04 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 54.74 3dy3 s GLU 174 Cb -0.13 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 3dy3 s GLU 174 CO -0.10 0.13 -0.23 0.42 -0.54 0.00 0.00 175.26 174.94 3dy3 s ILE 175 N 0.54 1.87 -0.15 -3.70 1.01 0.76 -1.91 121.20 119.62 3dy3 s ILE 175 Ca -0.09 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 3dy3 s ILE 175 Cb -0.16 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3dy3 s ILE 175 CO 0.04 0.53 -0.14 -0.76 0.00 0.00 0.00 174.94 174.61 3dy3 s LEU 176 N -0.48 2.58 -0.19 2.97 1.02 -0.80 -0.73 118.68 123.05 3dy3 s LEU 176 Ca 0.07 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 3dy3 s LEU 176 Cb -0.10 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 3dy3 s LEU 176 CO -0.00 0.11 -0.05 -0.63 0.02 0.00 0.00 176.35 175.79 3dy3 s ILE 177 N 0.70 3.49 -0.23 -0.59 1.09 0.14 -1.93 121.20 123.87 3dy3 s ILE 177 Ca -0.07 -0.47 -0.08 0.00 -1.10 0.00 0.00 60.65 58.93 3dy3 s ILE 177 Cb -0.15 -2.56 -0.04 0.00 -1.06 0.00 0.00 42.46 38.65 3dy3 s ILE 177 CO 0.02 0.45 0.09 -0.69 -0.10 0.00 0.00 174.94 174.71 3dy3 s VAL 178 N 1.04 4.64 0.30 2.92 1.01 0.27 -0.93 120.40 129.64 3dy3 s VAL 178 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3dy3 s VAL 178 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3dy3 s VAL 178 CO 0.00 0.36 0.18 0.42 0.00 0.00 0.00 175.10 176.06 3dy3 s THR 179 N 1.25 0.20 -0.40 3.92 -4.23 -0.49 -1.90 115.64 113.99 3dy3 s THR 179 Ca 0.05 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.74 3dy3 s THR 179 Cb -0.14 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.38 3dy3 s THR 179 CO 0.04 0.00 1.55 2.29 -0.54 0.00 0.00 174.62 177.96 3dy3 n LYS 180 N -0.56 0.12 -0.02 3.99 2.85 -1.26 -1.01 118.16 122.27 3dy3 n LYS 180 Ca 0.02 0.57 0.13 0.00 -1.05 0.00 0.00 58.31 57.99 3dy3 n LYS 180 Cb 0.64 -1.86 0.40 0.00 -0.65 0.00 0.00 35.03 33.57 3dy3 n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dy3 n ASP 182 N -2.10 1.92 0.00 -5.58 8.00 -1.26 -5.05 116.55 112.47 3dy3 n ASP 182 Ca -0.01 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3dy3 n ASP 182 Cb 0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3dy3 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dy3 n GLY 183 N 1.22 0.42 3.39 0.44 0.00 -0.18 -5.03 105.19 105.46 3dy3 n GLY 183 Ca 0.18 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3dy3 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dy3 s VAL 184 N -0.07 3.09 0.04 1.61 1.01 -1.26 -1.40 120.40 123.42 3dy3 s VAL 184 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.41 3dy3 s VAL 184 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3dy3 s VAL 184 CO 0.00 0.53 -0.24 -0.60 0.00 0.00 0.00 175.10 174.79 3dy3 s ARG 185 N 0.19 1.67 0.12 2.72 3.52 -0.11 -4.93 118.95 122.13 3dy3 s ARG 185 Ca -0.07 -1.04 0.06 0.00 -0.13 0.00 0.00 55.73 54.54 3dy3 s ARG 185 Cb -0.15 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 3dy3 s ARG 185 CO 0.05 0.47 -0.02 0.15 -0.81 0.00 0.00 175.30 175.14 3dy3 s LYS 186 N -1.18 2.42 -0.03 5.12 1.02 -1.26 0.27 119.74 126.11 3dy3 s LYS 186 Ca 0.10 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 3dy3 s LYS 186 Cb -0.10 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3dy3 s LYS 186 CO 0.02 0.51 0.12 -1.21 -0.92 0.00 0.00 175.35 173.87 3dy3 s GLU 187 N -2.48 0.27 -0.02 1.68 2.02 0.09 -4.98 118.70 115.28 3dy3 s GLU 187 Ca 0.25 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.20 3dy3 s GLU 187 Cb -0.11 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.25 3dy3 s GLU 187 CO 0.17 -0.05 -0.03 0.12 0.02 0.00 0.00 175.26 175.49 3dy3 s PHE 188 N -0.50 0.44 0.01 1.61 5.36 -1.26 -0.17 117.98 123.47 3dy3 s PHE 188 Ca -0.06 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 3dy3 s PHE 188 Cb -0.04 -0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 42.26 3dy3 s PHE 188 CO 0.01 -0.07 -0.10 0.71 -1.46 0.00 0.00 175.22 174.30 3dy3 s TYR 189 N 0.37 0.92 0.55 10.12 1.51 0.64 -4.98 117.35 126.49 3dy3 s TYR 189 Ca -0.04 -0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 55.62 3dy3 s TYR 189 Cb -0.07 -0.58 -0.06 0.00 -0.11 0.00 0.00 41.96 41.15 3dy3 s TYR 189 CO -0.00 -0.01 1.03 -1.21 -1.11 0.00 0.00 175.55 174.25 3dy3 s GLU 190 N -0.55 3.58 0.16 -0.62 0.41 -1.26 0.96 118.70 121.38 3dy3 s GLU 190 Ca 0.02 1.16 0.06 0.00 -0.41 0.00 0.00 54.97 55.80 3dy3 s GLU 190 Cb -0.05 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.18 3dy3 s GLU 190 CO 0.00 -0.59 -0.12 -0.51 -0.49 0.00 0.00 175.26 173.55 3dy3 s LEU 191 N -4.20 2.53 0.29 1.80 1.43 -0.15 -4.72 118.68 115.66 3dy3 s LEU 191 Ca 0.63 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 3dy3 s LEU 191 Cb -0.14 -0.49 -0.13 0.00 0.03 0.00 0.00 46.19 45.46 3dy3 s LEU 191 CO 0.32 -0.25 1.36 0.29 0.23 0.00 0.00 176.35 178.30 3dy3 n LYS 192 N -0.17 2.10 -0.29 1.70 5.02 -1.26 -3.17 118.16 122.08 3dy3 n LYS 192 Ca -0.10 0.74 0.08 0.00 -2.02 0.00 0.00 58.31 57.01 3dy3 n LYS 192 Cb 0.60 -2.37 0.23 0.00 -0.02 0.00 0.00 35.03 33.47 3dy3 n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dy3 n ARG 193 N 1.36 2.33 0.00 1.97 1.74 -1.26 -1.47 116.66 121.33 3dy3 n ARG 193 Ca 0.08 -1.85 0.14 0.00 -0.77 0.00 0.00 57.85 55.45 3dy3 n ARG 193 Cb 0.34 -1.46 0.62 0.00 -1.02 0.00 0.00 32.46 30.93 3dy3 n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71