#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 s SER 2 N 0.00 1.67 0.03 8.00 0.01 -1.26 -0.55 113.70 121.59 3dy3 s SER 2 Ca 0.00 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3dy3 s SER 2 Cb 0.00 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 3dy3 s SER 2 CO 0.00 -0.23 -0.05 0.27 0.41 0.00 0.00 173.24 173.64 3dy3 s ILE 3 N 2.02 0.28 0.14 1.44 -4.36 -0.49 -1.43 121.20 118.80 3dy3 s ILE 3 Ca 0.04 -1.00 -0.24 0.00 -0.26 0.00 0.00 60.65 59.20 3dy3 s ILE 3 Cb -0.13 -0.42 0.07 0.00 1.25 0.00 0.00 42.46 43.23 3dy3 s ILE 3 CO -0.05 -0.47 0.61 0.00 0.24 0.00 0.00 174.94 175.27 3dy3 s MET 4 N -1.56 1.26 -0.02 0.37 0.23 -0.58 -0.70 119.30 118.29 3dy3 s MET 4 Ca -0.13 -0.42 0.00 0.00 -1.03 0.00 0.00 55.69 54.10 3dy3 s MET 4 Cb -0.10 0.58 0.03 0.00 -1.53 0.00 0.00 34.83 33.81 3dy3 s MET 4 CO -0.01 -0.54 0.03 0.00 -2.03 0.00 0.00 175.02 172.47 3dy3 s ALA 5 N -3.59 0.09 -0.08 3.16 0.00 -0.25 -0.63 121.76 120.46 3dy3 s ALA 5 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3dy3 s ALA 5 Cb -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3dy3 s ALA 5 CO -0.12 -0.10 -0.16 0.08 0.00 0.00 0.00 175.76 175.46 3dy3 s VAL 6 N 1.02 1.48 0.24 0.00 1.01 -0.39 -0.93 120.40 122.83 3dy3 s VAL 6 Ca -0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 3dy3 s VAL 6 Cb -0.12 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 3dy3 s VAL 6 CO -0.03 0.43 0.70 0.42 0.00 0.00 0.00 175.10 176.63 3dy3 s THR 7 N 0.62 4.63 0.24 3.92 -4.23 -0.13 -1.28 115.64 119.41 3dy3 s THR 7 Ca -0.15 1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 61.44 3dy3 s THR 7 Cb -0.16 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 3dy3 s THR 7 CO 0.04 0.11 0.33 0.72 -0.54 0.00 0.00 174.62 175.29 3dy3 s PHE 8 N -1.63 0.76 0.22 3.99 -0.12 -0.12 -4.51 117.98 116.57 3dy3 s PHE 8 Ca 0.45 -1.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.28 3dy3 s PHE 8 Cb -0.15 -0.15 0.50 0.00 -0.63 0.00 0.00 43.02 42.59 3dy3 s PHE 8 CO 0.20 -0.86 1.11 1.17 -0.05 0.00 0.00 175.22 176.79 3dy3 n LYS 9 N -0.35 -0.06 0.00 1.99 4.81 -0.74 -0.93 118.16 122.88 3dy3 n LYS 9 Ca 0.00 1.07 0.12 0.00 -0.87 0.00 0.00 58.31 58.63 3dy3 n LYS 9 Cb 0.64 -1.68 0.23 0.00 0.02 0.00 0.00 35.03 34.24 3dy3 n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3dy3 n ASP 10 N -5.00 1.34 0.00 3.14 10.43 -1.26 -4.94 116.55 120.27 3dy3 n ASP 10 Ca 0.16 -1.08 0.00 0.00 2.57 0.00 0.00 54.79 56.43 3dy3 n ASP 10 Cb 0.51 0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.75 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 11 N 1.38 -0.55 3.42 0.44 0.00 -0.10 -4.16 105.19 105.61 3dy3 n GLY 11 Ca 0.11 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 3dy3 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy3 s VAL 12 N 0.00 0.02 -0.03 1.61 0.11 -0.58 -0.95 120.40 120.59 3dy3 s VAL 12 Ca 0.00 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 3dy3 s VAL 12 Cb 0.00 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3dy3 s VAL 12 CO 0.00 -0.08 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.99 3dy3 s ILE 13 N -2.53 0.67 -0.14 7.04 1.01 -0.41 -0.42 121.20 126.42 3dy3 s ILE 13 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3dy3 s ILE 13 Cb -0.01 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3dy3 s ILE 13 CO -0.02 0.23 0.02 -0.76 0.00 0.00 0.00 174.94 174.40 3dy3 s LEU 14 N 0.41 3.62 0.11 2.97 1.02 -0.59 -1.26 118.68 124.97 3dy3 s LEU 14 Ca -0.06 0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.21 3dy3 s LEU 14 Cb -0.10 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 3dy3 s LEU 14 CO 0.00 0.26 -0.12 -0.83 0.02 0.00 0.00 176.35 175.68 3dy3 s GLY 15 N -0.17 0.98 -0.07 -3.19 0.00 0.19 -0.94 107.32 104.13 3dy3 s GLY 15 Ca 0.06 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.22 3dy3 s GLY 15 CO 0.02 -1.33 0.89 0.00 0.00 0.00 0.00 173.10 172.68 3dy3 s ALA 16 N -2.32 -1.85 0.99 3.20 0.00 -0.61 -1.53 121.76 119.63 3dy3 s ALA 16 Ca 0.08 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.29 3dy3 s ALA 16 Cb -0.04 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.02 3dy3 s ALA 16 CO 0.02 -0.48 0.24 -0.40 0.00 0.00 0.00 175.76 175.14 3dy3 n ASP 17 N 0.34 0.02 -0.38 0.00 5.75 -0.51 -1.02 116.55 120.75 3dy3 n ASP 17 Ca -0.11 -1.09 0.04 0.00 -0.01 0.00 0.00 54.79 53.62 3dy3 n ASP 17 Cb 0.60 -0.18 0.06 0.00 -1.03 0.00 0.00 41.12 40.56 3dy3 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dy3 n SER 18 N -3.15 1.01 -4.76 -1.12 3.41 -0.30 -4.57 113.62 104.14 3dy3 n SER 18 Ca 0.03 -2.48 -0.35 0.00 -0.26 0.00 0.00 58.87 55.80 3dy3 n SER 18 Cb 0.11 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3dy3 n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3dy3 s ARG 19 N -1.22 3.95 -0.07 4.33 3.52 -1.07 -0.16 118.95 128.24 3dy3 s ARG 19 Ca 0.15 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 3dy3 s ARG 19 Cb 0.14 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3dy3 s ARG 19 CO 0.00 0.43 -0.09 0.95 -0.81 0.00 0.00 175.30 175.78 3dy3 s THR 20 N -0.02 0.93 0.29 4.11 -4.23 -0.27 -4.62 115.64 111.83 3dy3 s THR 20 Ca 0.09 -0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.37 3dy3 s THR 20 Cb -0.11 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 3dy3 s THR 20 CO -0.00 0.32 -0.15 0.42 -0.54 0.00 0.00 174.62 174.67 3dy3 s THR 21 N 0.93 2.23 -0.36 3.99 -4.23 -1.26 -1.00 115.64 115.94 3dy3 s THR 21 Ca -0.10 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.11 3dy3 s THR 21 Cb -0.15 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.43 3dy3 s THR 21 CO 0.01 -0.36 0.17 0.42 -0.54 0.00 0.00 174.62 174.31 3dy3 s THR 22 N -2.65 0.86 0.00 3.99 -4.23 -0.24 -4.85 115.64 108.53 3dy3 s THR 22 Ca 0.30 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3dy3 s THR 22 Cb -0.01 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.19 3dy3 s THR 22 CO 0.14 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 3dy3 n GLY 23 N 4.31 0.68 0.89 3.99 0.00 -1.26 -2.66 105.19 111.15 3dy3 n GLY 23 Ca 0.04 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3dy3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 n ALA 24 N 9.87 2.61 -2.59 4.61 0.00 -1.26 -4.91 120.51 128.84 3dy3 n ALA 24 Ca 0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.37 3dy3 n ALA 24 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3dy3 n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3dy3 s TYR 25 N -2.06 3.63 -0.69 0.00 5.04 -1.09 -5.00 117.35 117.18 3dy3 s TYR 25 Ca 0.27 1.21 -0.22 0.00 -2.44 0.00 0.00 57.07 55.90 3dy3 s TYR 25 Cb 0.20 -2.70 0.08 0.00 0.35 0.00 0.00 41.96 39.89 3dy3 s TYR 25 CO 0.34 0.23 0.97 0.42 -1.34 0.00 0.00 175.55 176.16 3dy3 s ILE 26 N 0.28 4.42 0.18 3.14 1.01 -1.26 -1.08 121.20 127.88 3dy3 s ILE 26 Ca 0.34 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3dy3 s ILE 26 Cb -0.18 -4.69 0.08 0.00 0.01 0.00 0.00 42.46 37.69 3dy3 s ILE 26 CO 0.17 -1.44 1.75 0.00 0.00 0.00 0.00 174.94 175.42 3dy3 h ALA 27 N 9.44 0.79 -3.38 9.38 0.00 -1.40 -3.42 119.26 130.67 3dy3 h ALA 27 Ca -0.22 -0.14 -0.39 0.00 0.00 0.00 0.00 54.91 54.15 3dy3 h ALA 27 Cb 1.06 -0.24 -0.36 0.00 0.00 0.00 0.00 17.79 18.25 3dy3 h ALA 27 CO 1.17 0.37 -0.76 1.21 0.00 0.00 0.00 179.25 181.24 3dy3 s ASN 28 N -6.04 1.00 0.00 0.00 3.84 -0.95 -5.02 114.94 107.77 3dy3 s ASN 28 Ca -0.13 -0.05 0.19 0.00 0.21 0.00 0.00 52.86 53.09 3dy3 s ASN 28 Cb 0.13 -0.32 0.05 0.00 -0.55 0.00 0.00 41.25 40.57 3dy3 s ASN 28 CO 0.79 -0.15 1.02 -2.11 -2.79 0.00 0.00 177.10 173.87 3dy3 n ARG 29 N 4.63 1.59 -1.74 0.43 1.85 -1.26 -1.12 116.66 121.04 3dy3 n ARG 29 Ca -0.16 -1.19 -0.06 0.00 -1.00 0.00 0.00 57.85 55.44 3dy3 n ARG 29 Cb 0.50 -1.37 0.08 0.00 -1.05 0.00 0.00 32.46 30.62 3dy3 n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3dy3 n VAL 30 N 0.37 1.70 -1.63 8.89 0.24 -1.12 -4.38 118.33 122.39 3dy3 n VAL 30 Ca 0.09 -3.09 -0.36 0.00 -2.04 0.00 0.00 64.34 58.94 3dy3 n VAL 30 Cb 0.44 0.04 0.08 0.00 -1.47 0.00 0.00 33.84 32.92 3dy3 n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3dy3 s THR 31 N -3.24 2.14 -0.42 3.34 2.01 0.78 -4.99 115.64 115.26 3dy3 s THR 31 Ca 0.39 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 3dy3 s THR 31 Cb 0.38 -2.89 0.11 0.00 0.01 0.00 0.00 72.50 70.11 3dy3 s THR 31 CO -0.04 -0.03 0.19 -0.62 -0.69 0.00 0.00 174.62 173.43 3dy3 s ASP 32 N -1.63 5.08 0.00 3.53 3.68 -1.26 -4.45 116.67 121.62 3dy3 s ASP 32 Ca 0.79 -2.20 0.21 0.00 2.13 0.00 0.00 52.55 53.49 3dy3 s ASP 32 Cb -0.34 -1.77 0.81 0.00 -1.45 0.00 0.00 42.92 40.17 3dy3 s ASP 32 CO 0.41 -0.47 1.58 0.29 0.13 0.00 0.00 175.17 177.11 3dy3 n LYS 33 N 4.32 1.66 -3.25 4.34 5.02 -1.26 -4.69 118.16 124.30 3dy3 n LYS 33 Ca 0.01 -0.98 -0.46 0.00 -2.02 0.00 0.00 58.31 54.86 3dy3 n LYS 33 Cb 0.41 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 3dy3 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dy3 s LEU 34 N -1.60 6.01 -0.14 -0.35 1.43 -1.26 -2.41 118.68 120.36 3dy3 s LEU 34 Ca 0.32 -1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 51.55 3dy3 s LEU 34 Cb 0.17 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3dy3 s LEU 34 CO 0.26 -0.90 0.11 -0.89 0.23 0.00 0.00 176.35 175.16 3dy3 s THR 35 N 1.76 5.22 -0.20 5.49 2.01 -0.35 -4.92 115.64 124.64 3dy3 s THR 35 Ca 0.08 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.01 3dy3 s THR 35 Cb -0.25 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 3dy3 s THR 35 CO 0.02 0.55 0.49 -0.60 -0.69 0.00 0.00 174.62 174.39 3dy3 s ARG 36 N -0.49 4.18 -0.00 4.92 3.52 -1.26 -0.00 118.95 129.81 3dy3 s ARG 36 Ca 0.11 0.36 0.09 0.00 -0.13 0.00 0.00 55.73 56.16 3dy3 s ARG 36 Cb -0.12 -3.56 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 3dy3 s ARG 36 CO 0.02 -0.14 0.35 1.33 -0.81 0.00 0.00 175.30 176.06 3dy3 n VAL 37 N 4.54 0.00 -3.52 7.11 0.24 -0.58 -4.92 118.33 121.19 3dy3 n VAL 37 Ca -0.06 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 3dy3 n VAL 37 Cb 0.51 0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 3dy3 n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3dy3 s HIS 38 N -1.90 -0.31 0.25 6.34 5.65 -0.80 -4.54 115.29 119.98 3dy3 s HIS 38 Ca 0.03 0.18 -0.08 0.00 0.25 0.00 0.00 55.06 55.44 3dy3 s HIS 38 Cb 0.07 0.54 0.40 0.00 -1.18 0.00 0.00 32.58 32.41 3dy3 s HIS 38 CO 0.36 -0.52 1.42 -0.25 -0.65 0.00 0.00 174.74 175.11 3dy3 n ASP 39 N -0.24 -0.35 -1.70 9.88 8.00 -1.26 -1.78 116.55 129.10 3dy3 n ASP 39 Ca -0.08 1.57 -0.08 0.00 0.71 0.00 0.00 54.79 56.92 3dy3 n ASP 39 Cb 0.61 -0.46 0.08 0.00 -0.02 0.00 0.00 41.12 41.33 3dy3 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dy3 n LYS 40 N -5.47 2.27 -3.74 -1.24 5.02 -1.26 -4.94 118.16 108.80 3dy3 n LYS 40 Ca 0.14 -3.55 -0.25 0.00 -2.02 0.00 0.00 58.31 52.63 3dy3 n LYS 40 Cb 0.45 -1.70 -0.17 0.00 -0.02 0.00 0.00 35.03 33.59 3dy3 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dy3 s ILE 41 N -3.52 0.38 0.38 -0.18 1.01 -0.74 -1.39 121.20 117.15 3dy3 s ILE 41 Ca 0.41 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.90 3dy3 s ILE 41 Cb 0.38 -0.75 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 3dy3 s ILE 41 CO -0.03 -0.01 0.04 0.26 0.00 0.00 0.00 174.94 175.20 3dy3 s TRP 42 N 1.94 2.14 0.05 3.97 0.52 0.02 -1.53 118.94 126.05 3dy3 s TRP 42 Ca 0.02 -0.88 -0.05 0.00 0.02 0.00 0.00 56.10 55.21 3dy3 s TRP 42 Cb -0.15 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3dy3 s TRP 42 CO -0.07 0.15 0.08 0.00 0.02 0.00 0.00 176.95 177.14 3dy3 s ARG 45 N 0.34 3.55 0.02 0.00 0.52 -1.01 -1.54 118.95 120.82 3dy3 s ARG 45 Ca -0.03 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 3dy3 s ARG 45 Cb -0.14 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 3dy3 s ARG 45 CO 0.02 0.52 0.15 -1.54 0.02 0.00 0.00 175.30 174.47 3dy3 s SER 46 N -0.33 0.06 0.00 0.23 1.04 -0.46 -4.97 113.70 109.28 3dy3 s SER 46 Ca 0.09 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3dy3 s SER 46 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3dy3 s SER 46 CO 0.02 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3dy3 n GLY 47 N 1.10 -0.64 3.67 7.32 0.00 -1.26 -0.02 105.19 115.35 3dy3 n GLY 47 Ca -0.21 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3dy3 n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dy3 s SER 48 N -4.00 6.51 0.31 1.61 0.15 0.21 -4.87 113.70 113.62 3dy3 s SER 48 Ca 0.00 2.57 -0.00 0.00 0.70 0.00 0.00 55.95 59.22 3dy3 s SER 48 Cb 0.00 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.26 3dy3 s SER 48 CO 0.00 -1.00 1.94 0.00 1.20 0.00 0.00 173.24 175.38 3dy3 h ALA 49 N 9.74 1.39 -0.13 5.45 0.00 -1.92 0.13 119.26 133.92 3dy3 h ALA 49 Ca -0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3dy3 h ALA 49 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dy3 h ALA 49 CO 0.94 0.50 0.05 0.00 0.00 0.00 0.00 179.25 180.75 3dy3 h ALA 50 N 1.48 0.17 0.35 0.00 0.00 -1.97 -1.60 119.26 117.68 3dy3 h ALA 50 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3dy3 h ALA 50 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dy3 h ALA 50 CO -0.04 -0.24 -0.17 -0.44 0.00 0.00 0.00 179.25 178.36 3dy3 h ASP 51 N 0.04 -0.40 -0.22 0.00 3.32 -1.67 -1.97 116.42 115.52 3dy3 h ASP 51 Ca 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3dy3 h ASP 51 Cb 0.18 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3dy3 h ASP 51 CO -0.00 -0.27 -0.11 0.71 -1.72 0.00 0.00 179.24 177.85 3dy3 h THR 52 N -0.49 1.24 -0.30 0.35 1.35 -0.81 -0.60 112.91 113.66 3dy3 h THR 52 Ca -0.05 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.71 3dy3 h THR 52 Cb 0.37 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 3dy3 h THR 52 CO 0.08 0.35 0.03 1.56 -0.25 0.00 0.00 175.52 177.29 3dy3 h GLN 53 N 0.55 0.50 -0.81 4.72 4.20 -1.25 0.11 115.11 123.13 3dy3 h GLN 53 Ca 0.10 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3dy3 h GLN 53 Cb 0.52 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3dy3 h GLN 53 CO 0.03 0.62 0.36 0.00 -0.67 0.00 0.00 178.83 179.17 3dy3 h ALA 54 N 0.86 1.05 -0.10 3.87 0.00 -1.13 0.27 119.26 124.08 3dy3 h ALA 54 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dy3 h ALA 54 Cb 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dy3 h ALA 54 CO 0.01 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.73 3dy3 h ILE 55 N 1.17 1.25 -0.54 0.00 2.04 -0.93 -2.16 117.51 118.34 3dy3 h ILE 55 Ca 0.27 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3dy3 h ILE 55 Cb 0.17 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3dy3 h ILE 55 CO -0.03 0.22 0.32 0.00 0.00 0.00 0.00 178.15 178.66 3dy3 h ALA 56 N 0.75 0.69 -0.44 1.87 0.00 -0.61 -0.09 119.26 121.42 3dy3 h ALA 56 Ca 0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dy3 h ALA 56 Cb 0.34 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3dy3 h ALA 56 CO 0.00 0.18 0.12 -0.44 0.00 0.00 0.00 179.25 179.11 3dy3 h ASP 57 N 0.72 0.07 -0.57 0.00 3.45 -0.89 0.12 116.42 119.32 3dy3 h ASP 57 Ca 0.19 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.65 3dy3 h ASP 57 Cb 0.00 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3dy3 h ASP 57 CO -0.03 0.07 0.08 0.40 -1.57 0.00 0.00 179.24 178.19 3dy3 h ILE 58 N 0.26 1.26 -0.26 0.35 2.04 -0.96 -2.18 117.51 118.03 3dy3 h ILE 58 Ca 0.21 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3dy3 h ILE 58 Cb 0.24 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3dy3 h ILE 58 CO -0.25 0.36 0.14 0.58 0.00 0.00 0.00 178.15 178.98 3dy3 h VAL 59 N 0.84 1.13 -0.98 1.67 2.07 -0.40 -0.28 116.25 120.29 3dy3 h VAL 59 Ca 0.17 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3dy3 h VAL 59 Cb 0.43 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3dy3 h VAL 59 CO 0.01 0.13 0.63 -0.61 0.02 0.00 0.00 177.57 177.75 3dy3 h GLN 60 N 0.30 1.01 -0.07 1.57 4.15 -0.65 -0.11 115.11 121.30 3dy3 h GLN 60 Ca 0.09 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3dy3 h GLN 60 Cb 0.08 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3dy3 h GLN 60 CO -0.01 0.67 0.02 -0.92 -1.93 0.00 0.00 178.83 176.66 3dy3 h TYR 61 N 1.05 0.12 -0.98 3.99 3.20 -0.92 -1.26 116.97 122.16 3dy3 h TYR 61 Ca 0.46 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.36 3dy3 h TYR 61 Cb 0.35 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3dy3 h TYR 61 CO -0.00 0.28 0.64 0.45 -1.64 0.00 0.00 178.16 177.89 3dy3 h HIS 62 N -0.08 1.19 -0.04 -3.82 3.86 0.13 -1.53 115.15 114.87 3dy3 h HIS 62 Ca 0.02 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.08 3dy3 h HIS 62 Cb 0.22 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3dy3 h HIS 62 CO -0.00 0.66 -0.79 -0.07 0.86 0.00 0.00 177.93 178.59 3dy3 h LEU 63 N 1.21 0.37 -0.59 2.43 3.38 -1.00 0.25 115.31 121.35 3dy3 h LEU 63 Ca 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dy3 h LEU 63 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3dy3 h LEU 63 CO -0.14 1.02 0.22 -0.08 0.09 0.00 0.00 178.44 179.55 3dy3 h GLU 64 N 0.19 0.90 -0.34 1.13 4.81 -0.70 0.43 114.58 121.01 3dy3 h GLU 64 Ca -0.04 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 3dy3 h GLU 64 Cb 1.38 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3dy3 h GLU 64 CO 0.13 0.79 -0.39 1.25 -0.73 0.00 0.00 179.01 180.06 3dy3 h LEU 65 N 0.83 0.93 -0.60 1.64 5.85 -1.23 -2.01 115.31 120.72 3dy3 h LEU 65 Ca 0.20 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3dy3 h LEU 65 Cb 0.24 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3dy3 h LEU 65 CO -0.01 1.22 0.26 0.22 -0.34 0.00 0.00 178.44 179.79 3dy3 h TYR 66 N 0.66 0.46 -0.41 1.25 3.20 -0.64 -2.00 116.97 119.48 3dy3 h TYR 66 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3dy3 h TYR 66 Cb 0.98 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3dy3 h TYR 66 CO 0.07 0.16 0.18 1.15 -1.64 0.00 0.00 178.16 178.08 3dy3 h THR 67 N 0.47 1.19 -0.77 1.81 2.02 -0.75 0.55 112.91 117.43 3dy3 h THR 67 Ca 0.29 -0.58 0.19 0.00 0.77 0.00 0.00 66.41 67.08 3dy3 h THR 67 Cb 0.30 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3dy3 h THR 67 CO -0.25 0.21 0.53 0.28 0.37 0.00 0.00 175.52 176.66 3dy3 h SER 68 N 0.53 0.23 0.00 4.18 0.02 -0.64 -1.76 113.55 116.10 3dy3 h SER 68 Ca 0.14 0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.78 3dy3 h SER 68 Cb 0.17 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 3dy3 h SER 68 CO -0.01 0.10 -2.23 0.00 -1.14 0.00 0.00 176.83 173.55 3dy3 n GLN 69 N -4.42 0.71 -0.07 3.45 6.02 -0.92 -4.76 117.38 117.39 3dy3 n GLN 69 Ca 0.16 0.09 0.04 0.00 -0.01 0.00 0.00 57.00 57.28 3dy3 n GLN 69 Cb 0.68 -1.44 0.05 0.00 1.02 0.00 0.00 30.24 30.56 3dy3 n GLN 69 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3dy3 n TYR 70 N -3.01 0.00 -3.78 1.08 4.02 0.19 -5.11 117.16 110.55 3dy3 n TYR 70 Ca -0.36 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 56.95 3dy3 n TYR 70 Cb 0.95 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 3dy3 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dy3 n GLY 72 N -0.75 -2.03 3.70 2.72 0.00 -0.67 -4.87 105.19 103.29 3dy3 n GLY 72 Ca 0.06 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3dy3 n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dy3 n THR 73 N 0.00 0.04 -3.01 2.61 -1.04 -1.26 -3.77 114.28 107.85 3dy3 n THR 73 Ca 0.00 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 3dy3 n THR 73 Cb 0.00 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.62 3dy3 n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dy3 s PRO 74 N 1.02 4.18 0.86 -2.82 0.04 -1.26 -5.03 135.00 131.98 3dy3 s PRO 74 Ca 0.76 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 3dy3 s PRO 74 Cb -0.57 -2.51 0.11 0.00 0.04 0.00 0.00 34.50 31.57 3dy3 s PRO 74 CO 0.35 0.18 1.17 -1.54 0.04 0.00 0.00 177.00 177.20 3dy3 s SER 75 N -2.04 4.05 0.19 6.66 1.04 -1.26 -4.94 113.70 117.41 3dy3 s SER 75 Ca 0.53 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.74 3dy3 s SER 75 Cb -0.12 -1.32 0.12 0.00 0.10 0.00 0.00 66.02 64.79 3dy3 s SER 75 CO 0.18 -2.20 1.53 0.74 0.98 0.00 0.00 173.24 174.48 3dy3 h THR 76 N -1.26 1.30 -0.99 2.02 2.02 -1.94 -2.81 112.91 111.26 3dy3 h THR 76 Ca -0.48 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.07 3dy3 h THR 76 Cb 1.33 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.27 3dy3 h THR 76 CO 0.63 0.52 0.65 -0.08 0.37 0.00 0.00 175.52 177.62 3dy3 h GLU 77 N 0.53 1.30 -0.65 6.66 4.81 -1.99 -1.94 114.58 123.29 3dy3 h GLU 77 Ca 0.03 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3dy3 h GLU 77 Cb 0.99 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3dy3 h GLU 77 CO 0.09 0.86 0.24 1.15 -0.73 0.00 0.00 179.01 180.62 3dy3 h THR 78 N 1.34 1.24 -0.81 0.32 2.02 -1.87 -1.34 112.91 113.81 3dy3 h THR 78 Ca 0.36 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3dy3 h THR 78 Cb -0.15 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3dy3 h THR 78 CO -0.08 0.30 0.37 0.00 0.37 0.00 0.00 175.52 176.49 3dy3 h ALA 79 N 1.10 1.05 -0.29 6.16 0.00 -1.20 -1.28 119.26 124.78 3dy3 h ALA 79 Ca 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3dy3 h ALA 79 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dy3 h ALA 79 CO -0.01 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.73 3dy3 h ALA 80 N 1.20 1.22 -0.26 0.00 0.00 -1.07 -1.86 119.26 118.48 3dy3 h ALA 80 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dy3 h ALA 80 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dy3 h ALA 80 CO -0.03 0.51 0.13 1.03 0.00 0.00 0.00 179.25 180.88 3dy3 h SER 81 N 0.47 0.34 -0.10 0.00 0.87 -0.17 0.39 113.55 115.34 3dy3 h SER 81 Ca 0.08 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3dy3 h SER 81 Cb 0.52 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3dy3 h SER 81 CO 0.03 0.36 0.04 0.58 -0.53 0.00 0.00 176.83 177.31 3dy3 h VAL 82 N 0.29 1.13 -0.36 2.23 2.07 -1.07 0.22 116.25 120.77 3dy3 h VAL 82 Ca 0.09 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3dy3 h VAL 82 Cb 0.11 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3dy3 h VAL 82 CO -0.01 0.12 -0.01 -0.26 0.02 0.00 0.00 177.57 177.43 3dy3 h PHE 83 N 0.01 -0.04 -0.40 1.57 0.04 -1.21 -1.78 116.94 115.13 3dy3 h PHE 83 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3dy3 h PHE 83 Cb 0.15 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3dy3 h PHE 83 CO -0.02 -0.08 0.22 -0.22 -0.60 0.00 0.00 178.31 177.61 3dy3 h LYS 84 N 0.09 0.56 -0.58 1.51 3.11 -0.66 -0.88 116.57 119.70 3dy3 h LYS 84 Ca 0.17 -0.07 0.08 0.00 -2.81 0.00 0.00 60.65 58.03 3dy3 h LYS 84 Cb 0.25 -0.11 -0.07 0.00 -1.00 0.00 0.00 32.23 31.30 3dy3 h LYS 84 CO -0.30 0.46 0.23 1.49 -2.81 0.00 0.00 179.45 178.51 3dy3 h GLU 85 N 0.51 0.41 -0.08 1.90 4.57 -0.08 0.14 114.58 121.95 3dy3 h GLU 85 Ca 0.14 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3dy3 h GLU 85 Cb 0.06 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3dy3 h GLU 85 CO -0.02 0.27 0.03 -0.07 -1.18 0.00 0.00 179.01 178.03 3dy3 h LEU 86 N 0.42 0.11 -1.14 1.64 3.38 -1.03 -1.82 115.31 116.87 3dy3 h LEU 86 Ca 0.29 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3dy3 h LEU 86 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dy3 h LEU 86 CO -0.28 0.28 -0.29 0.00 0.09 0.00 0.00 178.44 178.25 3dy3 h TYR 88 N 0.21 -0.02 -0.25 0.00 5.03 -0.74 -2.74 116.97 118.46 3dy3 h TYR 88 Ca 0.03 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.41 3dy3 h TYR 88 Cb 0.62 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 3dy3 h TYR 88 CO 0.01 0.32 0.28 1.49 -1.32 0.00 0.00 178.16 178.94 3dy3 h GLU 89 N -1.00 0.00 -0.08 1.82 4.57 -1.41 -2.06 114.58 116.43 3dy3 h GLU 89 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3dy3 h GLU 89 Cb 0.36 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3dy3 h GLU 89 CO 0.00 0.00 -0.32 0.09 -1.18 0.00 0.00 179.01 177.60 3dy3 n ASN 90 N -3.76 2.03 0.08 1.04 3.02 -0.94 -4.80 115.26 111.94 3dy3 n ASN 90 Ca 0.03 -3.72 0.19 0.00 -0.03 0.00 0.00 54.58 51.06 3dy3 n ASN 90 Cb 0.42 -0.53 0.74 0.00 -0.61 0.00 0.00 39.78 39.79 3dy3 n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3dy3 h LYS 91 N 0.86 0.00 0.00 3.52 2.10 -1.04 -1.60 116.57 120.41 3dy3 h LYS 91 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3dy3 h LYS 91 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3dy3 h LYS 91 CO 0.08 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.09 3dy3 h ASP 92 N 0.00 0.00 0.00 7.07 3.45 -1.87 -3.27 116.42 121.80 3dy3 h ASP 92 Ca 0.19 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 3dy3 h ASP 92 Cb 0.89 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.63 3dy3 h ASP 92 CO -0.00 0.00 -0.33 0.59 -1.57 0.00 0.00 179.24 177.93 3dy3 n ASN 94 N -2.86 1.78 -4.00 6.45 3.02 -0.62 -5.04 115.26 114.00 3dy3 n ASN 94 Ca 0.03 -3.24 -0.10 0.00 -0.03 0.00 0.00 54.58 51.24 3dy3 n ASN 94 Cb 0.42 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 3dy3 n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dy3 s LEU 95 N -2.54 2.24 -0.46 3.41 1.43 -1.11 -5.06 118.68 116.58 3dy3 s LEU 95 Ca 0.32 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 3dy3 s LEU 95 Cb 0.30 0.03 0.18 0.00 0.03 0.00 0.00 46.19 46.73 3dy3 s LEU 95 CO -0.03 -0.26 0.39 0.41 0.23 0.00 0.00 176.35 177.09 3dy3 n THR 96 N 1.62 -0.62 -4.34 5.49 -1.04 -1.26 -4.89 114.28 109.24 3dy3 n THR 96 Ca -0.23 -3.75 -0.25 0.00 -2.04 0.00 0.00 64.05 57.77 3dy3 n THR 96 Cb 0.55 -1.78 -0.17 0.00 -1.82 0.00 0.00 70.33 67.12 3dy3 n THR 96 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dy3 s ALA 97 N -0.36 1.28 -0.31 2.41 0.00 -1.26 0.67 121.76 124.19 3dy3 s ALA 97 Ca 0.32 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.84 3dy3 s ALA 97 Cb 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 23.12 22.55 3dy3 s ALA 97 CO -0.18 -0.07 0.00 0.20 0.00 0.00 0.00 175.76 175.70 3dy3 s GLY 98 N 1.03 1.82 -0.05 0.00 0.00 0.97 -4.00 107.32 107.08 3dy3 s GLY 98 Ca -0.08 -2.15 0.06 0.00 0.00 0.00 0.00 44.72 42.55 3dy3 s GLY 98 CO -0.01 0.80 -0.22 -0.42 0.00 0.00 0.00 173.10 173.25 3dy3 s ILE 99 N 1.05 2.33 -0.22 0.90 1.01 -0.61 -1.35 121.20 124.30 3dy3 s ILE 99 Ca 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3dy3 s ILE 99 Cb -0.20 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3dy3 s ILE 99 CO -0.05 0.58 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 3dy3 s ILE 100 N -0.40 3.51 -0.21 2.92 1.01 -0.59 -0.28 121.20 127.15 3dy3 s ILE 100 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3dy3 s ILE 100 Cb -0.12 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3dy3 s ILE 100 CO 0.02 0.41 0.13 -0.69 0.00 0.00 0.00 174.94 174.81 3dy3 s VAL 101 N 1.46 5.29 -0.01 2.92 1.01 0.21 -0.09 120.40 131.19 3dy3 s VAL 101 Ca 0.05 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3dy3 s VAL 101 Cb -0.14 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3dy3 s VAL 101 CO -0.02 0.40 -0.09 0.00 0.00 0.00 0.00 175.10 175.39 3dy3 s ALA 102 N 0.67 0.72 0.05 5.51 0.00 -0.11 -0.23 121.76 128.36 3dy3 s ALA 102 Ca 0.07 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 3dy3 s ALA 102 Cb -0.12 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.87 3dy3 s ALA 102 CO 0.01 0.18 0.52 0.20 0.00 0.00 0.00 175.76 176.67 3dy3 s GLY 103 N -0.20 -0.43 -0.11 0.00 0.00 -0.98 -0.80 107.32 104.79 3dy3 s GLY 103 Ca 0.03 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 3dy3 s GLY 103 CO -0.00 0.29 -0.05 -0.47 0.00 0.00 0.00 173.10 172.87 3dy3 s TYR 104 N -2.51 3.01 -0.01 1.90 6.14 -0.48 -1.51 117.35 123.90 3dy3 s TYR 104 Ca -0.05 -0.12 0.02 0.00 0.64 0.00 0.00 57.07 57.56 3dy3 s TYR 104 Cb -0.01 -1.84 -0.01 0.00 0.42 0.00 0.00 41.96 40.53 3dy3 s TYR 104 CO -0.02 0.17 -0.07 0.34 0.64 0.00 0.00 175.55 176.61 3dy3 s ASP 105 N -0.24 0.80 0.32 4.32 2.15 0.18 -4.87 116.67 119.33 3dy3 s ASP 105 Ca 0.04 -0.12 0.04 0.00 0.43 0.00 0.00 52.55 52.94 3dy3 s ASP 105 Cb -0.13 -0.09 0.54 0.00 -0.30 0.00 0.00 42.92 42.95 3dy3 s ASP 105 CO 0.02 0.08 1.82 -0.78 -0.17 0.00 0.00 175.17 176.15 3dy3 h ASP 10 N 5.98 0.47 0.07 -0.34 3.58 -2.00 1.05 116.42 125.24 3dy3 h ASP 10 Ca -0.29 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 56.88 3dy3 h ASP 10 Cb 1.19 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 3dy3 h ASP 10 CO 0.50 0.61 -0.82 0.50 -2.88 0.00 0.00 179.24 177.15 3dy3 h LYS 10 N 0.46 0.15 -0.01 0.28 3.11 -2.04 -3.36 116.57 115.15 3dy3 h LYS 10 Ca 0.09 -0.25 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 3dy3 h LYS 10 Cb 0.45 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 3dy3 h LYS 10 CO 0.02 1.12 -0.25 0.09 -2.81 0.00 0.00 179.45 177.63 3dy3 n ASN 106 N -4.26 1.43 0.00 4.20 3.02 -1.22 -5.04 115.26 113.39 3dy3 n ASN 106 Ca -0.19 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 3dy3 n ASN 106 Cb 0.72 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 3dy3 n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3dy3 n LYS 107 N -0.27 0.00 -3.92 3.52 4.81 0.36 -4.65 118.16 118.01 3dy3 n LYS 107 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.23 3dy3 n LYS 107 Cb 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.39 3dy3 n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3dy3 s GLY 108 N 0.00 2.16 0.04 3.14 0.00 -1.24 0.50 107.32 111.92 3dy3 s GLY 108 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.98 3dy3 s GLY 108 CO 0.00 -0.64 -0.07 -0.54 0.00 0.00 0.00 173.10 171.85 3dy3 s GLU 109 N -1.86 0.52 -0.05 2.90 2.02 -0.57 -4.93 118.70 116.73 3dy3 s GLU 109 Ca 0.26 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3dy3 s GLU 109 Cb -0.13 -0.25 0.03 0.00 0.10 0.00 0.00 34.13 33.88 3dy3 s GLU 109 CO 0.17 0.04 0.03 0.08 0.02 0.00 0.00 175.26 175.60 3dy3 s VAL 110 N -1.49 0.11 -0.08 2.63 1.01 -1.25 -2.33 120.40 119.00 3dy3 s VAL 110 Ca -0.10 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3dy3 s VAL 110 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3dy3 s VAL 110 CO 0.00 0.20 -0.19 -0.31 0.00 0.00 0.00 175.10 174.81 3dy3 s TYR 111 N 1.90 2.63 -0.12 5.22 1.51 0.68 -0.65 117.35 128.52 3dy3 s TYR 111 Ca 0.02 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 3dy3 s TYR 111 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 3dy3 s TYR 111 CO -0.04 -0.15 -0.16 -0.08 -1.11 0.00 0.00 175.55 174.02 3dy3 s THR 112 N -0.07 2.84 -0.41 -0.71 -1.32 0.58 0.63 115.64 117.17 3dy3 s THR 112 Ca -0.04 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 3dy3 s THR 112 Cb -0.14 -2.16 0.11 0.00 -1.51 0.00 0.00 72.50 68.80 3dy3 s THR 112 CO 0.04 0.54 0.15 -0.63 -2.21 0.00 0.00 174.62 172.51 3dy3 s ILE 113 N 0.27 2.62 1.07 5.08 1.01 0.61 -1.17 121.20 130.68 3dy3 s ILE 113 Ca -0.11 -2.55 -0.17 0.00 0.00 0.00 0.00 60.65 57.81 3dy3 s ILE 113 Cb -0.16 -2.86 0.23 0.00 0.01 0.00 0.00 42.46 39.68 3dy3 s ILE 113 CO 0.06 -0.68 1.21 -2.16 0.00 0.00 0.00 174.94 173.37 3dy3 s PRO 114 N 0.62 -0.17 0.19 2.79 0.04 -1.24 -1.58 135.00 135.64 3dy3 s PRO 114 Ca 0.12 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.70 3dy3 s PRO 114 Cb -0.21 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.64 3dy3 s PRO 114 CO -0.05 -2.99 1.55 -0.07 0.04 0.00 0.00 177.00 175.47 3dy3 h LEU 115 N -2.06 -1.86 -1.95 -3.56 4.07 -1.94 -1.70 115.31 106.31 3dy3 h LEU 115 Ca -0.45 0.32 0.20 0.00 0.08 0.00 0.00 57.88 58.02 3dy3 h LEU 115 Cb 1.27 0.87 -0.03 0.00 1.08 0.00 0.00 40.66 43.85 3dy3 h LEU 115 CO 0.38 -0.26 0.57 1.23 -1.08 0.00 0.00 178.44 179.28 3dy3 h GLY 116 N -0.02 0.00 0.00 0.83 0.00 -1.93 -3.45 103.07 98.50 3dy3 h GLY 116 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3dy3 h GLY 116 CO -0.94 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.21 3dy3 n GLY 117 N -1.62 1.25 3.95 4.60 0.00 -0.64 -4.62 105.19 108.11 3dy3 n GLY 117 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3dy3 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dy3 s SER 118 N -2.00 5.53 0.06 1.61 1.04 -1.26 -4.35 113.70 114.33 3dy3 s SER 118 Ca 0.00 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.84 3dy3 s SER 118 Cb 0.00 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 3dy3 s SER 118 CO 0.00 -0.99 -0.23 -0.69 0.98 0.00 0.00 173.24 172.31 3dy3 s VAL 119 N -2.78 1.87 -0.09 5.02 1.01 -1.26 -3.70 120.40 120.47 3dy3 s VAL 119 Ca 0.53 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3dy3 s VAL 119 Cb -0.10 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.70 3dy3 s VAL 119 CO 0.40 0.22 0.15 -1.00 0.00 0.00 0.00 175.10 174.88 3dy3 s HIS 120 N -0.86 -0.15 -0.08 5.22 3.76 -0.32 -4.97 115.29 117.89 3dy3 s HIS 120 Ca 0.09 0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 55.31 3dy3 s HIS 120 Cb -0.09 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 3dy3 s HIS 120 CO 0.02 -0.30 0.60 0.21 -0.85 0.00 0.00 174.74 174.42 3dy3 s LYS 121 N 2.28 4.39 0.15 1.40 2.20 -1.26 -0.31 119.74 128.59 3dy3 s LYS 121 Ca 0.03 0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 56.27 3dy3 s LYS 121 Cb -0.12 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3dy3 s LYS 121 CO -0.06 0.13 0.20 -0.51 -0.36 0.00 0.00 175.35 174.75 3dy3 s LEU 122 N 0.64 1.26 0.39 5.43 1.43 0.18 -5.00 118.68 123.01 3dy3 s LEU 122 Ca 0.32 -1.01 0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3dy3 s LEU 122 Cb -0.17 0.85 0.80 0.00 0.03 0.00 0.00 46.19 47.71 3dy3 s LEU 122 CO 0.15 -0.83 1.88 -0.65 0.23 0.00 0.00 176.35 177.12 3dy3 h PRO 123 N 2.66 0.00 -2.36 1.29 0.11 -1.95 -3.32 132.00 128.44 3dy3 h PRO 123 Ca -0.33 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.89 3dy3 h PRO 123 Cb 1.22 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 3dy3 h PRO 123 CO 0.52 0.32 0.46 1.52 -0.21 0.00 0.00 178.00 180.61 3dy3 s TYR 124 N -4.34 -0.32 0.00 0.65 -0.85 -1.26 -0.95 117.35 110.29 3dy3 s TYR 124 Ca -0.03 0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.52 3dy3 s TYR 124 Cb 0.15 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.07 3dy3 s TYR 124 CO 0.72 -0.63 0.29 0.00 -1.52 0.00 0.00 175.55 174.41 3dy3 s ALA 125 N -3.22 -0.71 0.06 9.51 0.00 -0.11 -4.98 121.76 122.31 3dy3 s ALA 125 Ca 0.06 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.25 3dy3 s ALA 125 Cb -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3dy3 s ALA 125 CO -0.07 -0.30 -0.13 0.96 0.00 0.00 0.00 175.76 176.21 3dy3 s ILE 126 N -1.72 1.05 0.23 0.00 -4.36 -1.26 -1.09 121.20 114.05 3dy3 s ILE 126 Ca -0.11 -1.17 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 3dy3 s ILE 126 Cb -0.04 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.71 3dy3 s ILE 126 CO 0.02 -0.16 0.78 0.00 0.24 0.00 0.00 174.94 175.82 3dy3 s ALA 127 N -1.13 -1.39 0.00 2.27 0.00 0.12 -4.98 121.76 116.65 3dy3 s ALA 127 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3dy3 s ALA 127 Cb -0.09 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3dy3 s ALA 127 CO 0.02 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3dy3 n GLY 128 N -0.45 1.87 0.30 0.00 0.00 -1.26 -1.39 105.19 104.25 3dy3 n GLY 128 Ca -0.06 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.01 3dy3 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dy3 h SER 129 N 0.00 0.54 0.88 1.61 4.64 -1.23 -2.26 113.55 117.73 3dy3 h SER 129 Ca 0.00 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3dy3 h SER 129 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3dy3 h SER 129 CO 0.00 0.27 -0.11 1.23 -0.87 0.00 0.00 176.83 177.36 3dy3 h GLY 130 N 0.65 0.00 0.21 -0.77 0.00 -1.37 -3.31 103.07 98.49 3dy3 h GLY 130 Ca 0.41 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.95 3dy3 h GLY 130 CO -0.31 0.00 0.61 1.48 0.00 0.00 0.00 176.54 178.32 3dy3 h SER 131 N 0.00 0.52 -0.46 0.19 4.64 -1.59 -2.19 113.55 114.66 3dy3 h SER 131 Ca -0.00 0.06 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 3dy3 h SER 131 Cb 0.57 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3dy3 h SER 131 CO 0.01 0.19 0.32 0.71 -0.87 0.00 0.00 176.83 177.20 3dy3 h THR 132 N 0.51 0.85 0.00 2.95 1.35 -1.75 -1.47 112.91 115.35 3dy3 h THR 132 Ca 0.51 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 66.30 3dy3 h THR 132 Cb 1.13 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3dy3 h THR 132 CO -0.24 0.03 -0.07 -0.26 -0.25 0.00 0.00 175.52 174.73 3dy3 h PHE 133 N 0.16 0.00 -0.26 4.73 0.04 -1.67 -3.30 116.94 116.65 3dy3 h PHE 133 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3dy3 h PHE 133 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 3dy3 h PHE 133 CO -0.00 0.07 0.00 0.44 -0.60 0.00 0.00 178.31 178.22 3dy3 n ILE 134 N -3.13 2.16 0.38 -0.55 -5.35 -0.56 -4.66 119.36 107.64 3dy3 n ILE 134 Ca 0.03 -1.81 -0.17 0.00 -0.27 0.00 0.00 62.75 60.52 3dy3 n ILE 134 Cb 0.49 -0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 38.12 3dy3 n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3dy3 h TYR 135 N 1.76 -0.89 -0.60 4.28 0.05 -1.61 -0.39 116.97 119.58 3dy3 h TYR 135 Ca 0.00 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.78 3dy3 h TYR 135 Cb 1.37 0.29 -0.04 0.00 1.01 0.00 0.00 36.73 39.36 3dy3 h TYR 135 CO 0.46 -0.53 0.37 0.78 -1.05 0.00 0.00 178.16 178.19 3dy3 h GLY 136 N -1.10 0.86 1.00 3.88 0.00 -1.86 -1.00 103.07 104.85 3dy3 h GLY 136 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3dy3 h GLY 136 CO 0.16 0.24 0.20 -1.82 0.00 0.00 0.00 176.54 175.32 3dy3 h TYR 137 N 0.73 0.39 -0.47 5.60 3.20 -1.83 -2.39 116.97 122.20 3dy3 h TYR 137 Ca 0.24 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 3dy3 h TYR 137 Cb 0.01 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3dy3 h TYR 137 CO -0.05 0.26 -0.21 0.00 -1.64 0.00 0.00 178.16 176.52 3dy3 h ASP 139 N 0.83 0.00 0.37 0.00 1.82 -1.09 -1.20 116.42 117.14 3dy3 h ASP 139 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3dy3 h ASP 139 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 3dy3 h ASP 139 CO 0.06 0.25 -0.47 0.29 -1.61 0.00 0.00 179.24 177.76 3dy3 n LYS 140 N -4.11 0.28 0.00 0.28 4.76 -0.91 -4.35 118.16 114.12 3dy3 n LYS 140 Ca -0.02 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 3dy3 n LYS 140 Cb 0.31 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 3dy3 n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dy3 n ASN 141 N -1.21 0.31 -4.80 4.39 4.13 -0.89 -5.04 115.26 112.15 3dy3 n ASN 141 Ca 0.07 -0.64 -0.36 0.00 1.68 0.00 0.00 54.58 55.34 3dy3 n ASN 141 Cb 0.34 0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 39.10 3dy3 n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3dy3 s PHE 142 N -0.58 3.57 -0.01 3.10 5.36 -0.49 -5.05 117.98 123.88 3dy3 s PHE 142 Ca 0.00 1.63 -0.06 0.00 -0.96 0.00 0.00 56.93 57.54 3dy3 s PHE 142 Cb 0.00 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 3dy3 s PHE 142 CO 0.00 0.15 0.12 1.03 -1.46 0.00 0.00 175.22 175.06 3dy3 s ARG 143 N -2.37 0.37 0.40 10.12 0.52 -1.26 -5.01 118.95 121.72 3dy3 s ARG 143 Ca 0.52 -0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 55.29 3dy3 s ARG 143 Cb -0.15 0.16 -0.11 0.00 0.52 0.00 0.00 34.95 35.36 3dy3 s ARG 143 CO 0.20 -0.08 0.94 -1.21 0.02 0.00 0.00 175.30 175.17 3dy3 s GLU 144 N -0.93 4.28 -1.33 3.54 2.02 -1.26 -4.09 118.70 120.93 3dy3 s GLU 144 Ca -0.10 1.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.98 3dy3 s GLU 144 Cb -0.06 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.89 3dy3 s GLU 144 CO 0.01 0.04 0.91 0.09 0.02 0.00 0.00 175.26 176.33 3dy3 n ASN 145 N -0.41 -2.93 -4.51 -0.19 5.03 -1.26 -4.91 115.26 106.08 3dy3 n ASN 145 Ca 0.06 -0.71 -0.29 0.00 0.87 0.00 0.00 54.58 54.50 3dy3 n ASN 145 Cb 0.53 -4.46 0.15 0.00 -1.02 0.00 0.00 39.78 34.98 3dy3 n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3dy3 s MET 146 N -6.00 0.88 0.58 3.52 -1.94 -1.26 -4.21 119.30 110.88 3dy3 s MET 146 Ca 0.22 0.01 -0.03 0.00 -1.71 0.00 0.00 55.69 54.19 3dy3 s MET 146 Cb -0.11 -1.83 0.03 0.00 2.01 0.00 0.00 34.83 34.93 3dy3 s MET 146 CO 0.78 -2.32 0.85 -1.54 -0.01 0.00 0.00 175.02 172.78 3dy3 s SER 147 N -4.37 5.33 0.15 3.03 1.04 -1.26 -1.78 113.70 115.83 3dy3 s SER 147 Ca 0.67 0.36 -0.21 0.00 0.48 0.00 0.00 55.95 57.25 3dy3 s SER 147 Cb -0.10 -1.27 0.02 0.00 0.10 0.00 0.00 66.02 64.77 3dy3 s SER 147 CO 0.53 -1.17 1.65 0.50 0.98 0.00 0.00 173.24 175.73 3dy3 h LYS 148 N -0.12 -0.17 -0.93 4.02 3.64 -1.98 0.05 116.57 121.09 3dy3 h LYS 148 Ca -0.44 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3dy3 h LYS 148 Cb 1.28 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 3dy3 h LYS 148 CO 0.57 -0.12 0.61 0.93 -2.27 0.00 0.00 179.45 179.18 3dy3 h GLU 149 N -0.18 1.19 -0.44 1.90 3.07 -1.99 0.23 114.58 118.35 3dy3 h GLU 149 Ca 0.13 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 3dy3 h GLU 149 Cb 0.38 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3dy3 h GLU 149 CO -0.33 0.78 0.06 0.93 -1.40 0.00 0.00 179.01 179.05 3dy3 h GLU 150 N 1.22 0.73 -0.39 2.33 5.08 -1.75 -2.43 114.58 119.37 3dy3 h GLU 150 Ca 0.35 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3dy3 h GLU 150 Cb -0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3dy3 h GLU 150 CO -0.09 0.77 0.02 1.15 -1.00 0.00 0.00 179.01 179.86 3dy3 h THR 151 N 0.59 1.26 -0.11 1.13 2.02 -0.47 -0.94 112.91 116.38 3dy3 h THR 151 Ca 0.13 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3dy3 h THR 151 Cb 0.40 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3dy3 h THR 151 CO 0.01 0.33 0.03 0.58 0.37 0.00 0.00 175.52 176.84 3dy3 h VAL 152 N 0.51 1.06 0.02 3.16 2.07 -0.92 -1.31 116.25 120.84 3dy3 h VAL 152 Ca 0.11 -0.20 -0.26 0.00 0.82 0.00 0.00 66.70 67.17 3dy3 h VAL 152 Cb 0.44 0.95 0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3dy3 h VAL 152 CO 0.02 0.07 -1.06 0.44 0.02 0.00 0.00 177.57 177.06 3dy3 h ASP 153 N 0.15 0.78 -0.26 0.57 3.45 -1.04 -1.62 116.42 118.46 3dy3 h ASP 153 Ca 0.04 -0.65 -0.01 0.00 0.43 0.00 0.00 57.03 56.84 3dy3 h ASP 153 Cb 0.06 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3dy3 h ASP 153 CO -0.00 1.45 0.13 0.15 -1.57 0.00 0.00 179.24 179.40 3dy3 h PHE 154 N 0.32 0.38 -0.31 4.55 3.57 -0.58 -0.35 116.94 124.52 3dy3 h PHE 154 Ca -0.13 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 3dy3 h PHE 154 Cb 1.71 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 3dy3 h PHE 154 CO 0.09 0.35 0.03 0.82 -2.23 0.00 0.00 178.31 177.37 3dy3 h ILE 155 N 0.29 1.24 -0.94 1.41 2.04 -1.32 0.33 117.51 120.57 3dy3 h ILE 155 Ca 0.09 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.10 3dy3 h ILE 155 Cb 0.11 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3dy3 h ILE 155 CO -0.01 0.28 0.62 0.50 0.00 0.00 0.00 178.15 179.54 3dy3 h LYS 156 N 0.33 1.21 0.10 2.37 3.64 -1.12 -0.76 116.57 122.34 3dy3 h LYS 156 Ca 0.09 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dy3 h LYS 156 Cb 0.38 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3dy3 h LYS 156 CO 0.01 0.80 -0.05 0.45 -2.27 0.00 0.00 179.45 178.39 3dy3 h HIS 157 N 1.24 -0.13 0.02 1.91 3.86 -0.90 -2.31 115.15 118.84 3dy3 h HIS 157 Ca 0.35 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 3dy3 h HIS 157 Cb -0.10 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 3dy3 h HIS 157 CO -0.00 0.37 -0.36 0.77 0.86 0.00 0.00 177.93 179.56 3dy3 h SER 158 N -0.72 -1.09 0.25 2.45 0.02 -0.75 -2.07 113.55 111.65 3dy3 h SER 158 Ca -0.01 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dy3 h SER 158 Cb 0.55 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3dy3 h SER 158 CO 0.02 -0.42 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.01 3dy3 h LEU 159 N -0.53 0.00 -0.75 5.07 3.38 -1.25 -1.18 115.31 120.05 3dy3 h LEU 159 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3dy3 h LEU 159 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3dy3 h LEU 159 CO -0.28 0.21 -0.40 0.77 0.09 0.00 0.00 178.44 178.83 3dy3 h SER 160 N 0.00 0.49 -0.27 -0.43 4.64 -0.89 0.13 113.55 117.23 3dy3 h SER 160 Ca -0.00 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 3dy3 h SER 160 Cb 0.40 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3dy3 h SER 160 CO 0.03 0.84 -0.22 1.56 -0.87 0.00 0.00 176.83 178.17 3dy3 h GLN 161 N 0.39 0.63 -0.68 4.77 1.08 -0.68 0.31 115.11 120.91 3dy3 h GLN 161 Ca 0.03 -0.31 0.04 0.00 -1.45 0.00 0.00 58.65 56.96 3dy3 h GLN 161 Cb 0.88 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 3dy3 h GLN 161 CO 0.07 0.91 0.42 0.00 -0.95 0.00 0.00 178.83 179.28 3dy3 h ALA 162 N 0.71 0.90 -0.37 3.87 0.00 -1.03 -1.09 119.26 122.24 3dy3 h ALA 162 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dy3 h ALA 162 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3dy3 h ALA 162 CO 0.06 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.28 3dy3 h ILE 163 N 0.81 1.22 -0.75 0.00 2.04 -0.75 -0.18 117.51 119.89 3dy3 h ILE 163 Ca 0.28 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3dy3 h ILE 163 Cb 0.05 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3dy3 h ILE 163 CO -0.12 0.31 0.35 0.50 0.00 0.00 0.00 178.15 179.18 3dy3 h LYS 164 N 0.57 1.09 0.00 2.37 3.64 0.32 -3.31 116.57 121.25 3dy3 h LYS 164 Ca 0.12 -0.17 -0.27 0.00 -1.27 0.00 0.00 60.65 59.05 3dy3 h LYS 164 Cb 0.39 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3dy3 h LYS 164 CO 0.02 0.86 -2.06 0.91 -2.27 0.00 0.00 179.45 176.91 3dy3 n TRP 165 N -4.38 0.33 -3.42 1.91 7.02 -0.83 -4.88 117.44 113.19 3dy3 n TRP 165 Ca 0.07 0.12 -0.43 0.00 -1.02 0.00 0.00 57.50 56.23 3dy3 n TRP 165 Cb 0.14 -0.98 -0.10 0.00 -2.42 0.00 0.00 31.31 27.96 3dy3 n TRP 165 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3dy3 s ASP 166 N -5.50 6.13 0.25 -0.99 2.15 -0.09 -4.93 116.67 113.68 3dy3 s ASP 166 Ca -0.08 -0.87 0.18 0.00 0.43 0.00 0.00 52.55 52.21 3dy3 s ASP 166 Cb 0.08 -2.18 0.93 0.00 -0.30 0.00 0.00 42.92 41.45 3dy3 s ASP 166 CO 0.84 -0.49 1.54 0.61 -0.17 0.00 0.00 175.17 177.49 3dy3 n GLY 167 N 5.15 -0.84 0.27 2.66 0.00 -1.26 -1.04 105.19 110.14 3dy3 n GLY 167 Ca -0.10 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3dy3 n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dy3 n SER 168 N -2.10 0.93 -4.39 1.61 7.64 -1.26 -4.84 113.62 111.21 3dy3 n SER 168 Ca -0.01 -1.07 -0.25 0.00 1.01 0.00 0.00 58.87 58.55 3dy3 n SER 168 Cb 0.05 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 3dy3 n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dy3 s SER 169 N -2.22 3.18 0.00 6.43 0.01 -0.20 -1.69 113.70 119.20 3dy3 s SER 169 Ca 0.34 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3dy3 s SER 169 Cb 0.21 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3dy3 s SER 169 CO 0.41 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.75 3dy3 n GLY 170 N 0.34 -1.40 4.89 3.44 0.00 -1.26 -4.81 105.19 106.40 3dy3 n GLY 170 Ca -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3dy3 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy3 n GLY 171 N -0.01 0.50 3.92 -0.02 0.00 -1.26 -1.15 105.19 107.17 3dy3 n GLY 171 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 3dy3 n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dy3 s VAL 172 N 0.00 3.76 -0.21 1.61 -7.23 -1.26 -4.28 120.40 112.79 3dy3 s VAL 172 Ca 0.00 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 58.92 3dy3 s VAL 172 Cb 0.00 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3dy3 s VAL 172 CO 0.00 -0.16 0.04 -0.63 -0.31 0.00 0.00 175.10 174.04 3dy3 s ILE 173 N -2.25 4.35 0.02 -0.62 1.01 -0.38 -2.64 121.20 120.69 3dy3 s ILE 173 Ca 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3dy3 s ILE 173 Cb -0.08 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3dy3 s ILE 173 CO 0.29 0.41 -0.02 -0.13 0.00 0.00 0.00 174.94 175.49 3dy3 s ARG 174 N 0.96 2.67 0.05 2.79 0.52 -0.19 -0.96 118.95 124.79 3dy3 s ARG 174 Ca 0.03 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 3dy3 s ARG 174 Cb -0.14 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3dy3 s ARG 174 CO 0.02 0.60 -0.04 -1.64 0.02 0.00 0.00 175.30 174.26 3dy3 s MET 175 N -1.71 0.57 -0.04 3.54 -1.94 0.22 -1.58 119.30 118.35 3dy3 s MET 175 Ca 0.20 -1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 3dy3 s MET 175 Cb -0.11 0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.82 3dy3 s MET 175 CO 0.12 -0.06 0.02 0.08 -0.01 0.00 0.00 175.02 175.16 3dy3 s VAL 176 N -3.03 0.16 -0.23 -6.03 1.01 -0.12 -0.77 120.40 111.39 3dy3 s VAL 176 Ca 0.01 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3dy3 s VAL 176 Cb 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3dy3 s VAL 176 CO -0.06 0.19 0.12 -0.69 0.00 0.00 0.00 175.10 174.65 3dy3 s VAL 177 N 1.58 4.98 -0.35 2.92 1.01 0.23 -1.54 120.40 129.23 3dy3 s VAL 177 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3dy3 s VAL 177 Cb -0.13 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.03 3dy3 s VAL 177 CO -0.03 0.37 0.10 -0.76 0.00 0.00 0.00 175.10 174.78 3dy3 s LEU 178 N 1.02 4.59 0.32 3.92 1.02 0.43 -2.11 118.68 127.87 3dy3 s LEU 178 Ca 0.06 -1.66 0.06 0.00 0.02 0.00 0.00 54.13 52.61 3dy3 s LEU 178 Cb -0.14 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3dy3 s LEU 178 CO 0.04 -0.40 0.24 0.42 0.02 0.00 0.00 176.35 176.67 3dy3 s THR 179 N 1.19 0.06 0.42 5.49 -4.23 -1.17 -1.52 115.64 115.89 3dy3 s THR 179 Ca 0.02 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.91 3dy3 s THR 179 Cb -0.21 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.55 3dy3 s THR 179 CO -0.03 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.24 3dy3 h ALA 180 N 2.17 1.05 0.00 3.99 0.00 -1.95 -2.49 119.26 122.03 3dy3 h ALA 180 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dy3 h ALA 180 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dy3 h ALA 180 CO 0.41 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3dy3 n ALA 181 N -2.12 2.12 0.00 0.00 0.00 -1.26 -5.03 120.51 114.23 3dy3 n ALA 181 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3dy3 n ALA 181 Cb 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3dy3 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dy3 n GLY 183 N 1.03 0.67 3.13 0.00 0.00 -0.94 -5.05 105.19 104.04 3dy3 n GLY 183 Ca 0.06 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.85 1.87 -0.07 1.61 1.01 -1.26 -3.06 120.40 118.64 3dy3 s VAL 184 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3dy3 s VAL 184 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3dy3 s VAL 184 CO 0.00 0.51 -0.18 -0.70 0.00 0.00 0.00 175.10 174.73 3dy3 s GLU 185 N 0.85 2.21 -0.19 2.72 2.12 -0.90 -4.95 118.70 120.57 3dy3 s GLU 185 Ca -0.08 -0.65 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 3dy3 s GLU 185 Cb -0.15 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 3dy3 s GLU 185 CO -0.01 0.16 0.08 1.03 -0.54 0.00 0.00 175.26 175.97 3dy3 s ARG 186 N 0.34 4.02 0.12 4.30 0.52 -1.26 0.78 118.95 127.76 3dy3 s ARG 186 Ca -0.12 -0.32 0.10 0.00 -0.52 0.00 0.00 55.73 54.87 3dy3 s ARG 186 Cb -0.15 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3dy3 s ARG 186 CO 0.05 0.28 -0.26 -0.51 0.02 0.00 0.00 175.30 174.87 3dy3 s LEU 187 N 0.38 2.30 -0.01 2.53 1.43 0.05 -4.97 118.68 120.39 3dy3 s LEU 187 Ca 0.04 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3dy3 s LEU 187 Cb -0.12 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.92 3dy3 s LEU 187 CO -0.00 0.17 0.03 -0.51 0.23 0.00 0.00 176.35 176.27 3dy3 s ILE 18 N -1.05 0.00 -0.04 -0.59 2.07 -1.26 -0.61 121.20 119.73 3dy3 s ILE 18 Ca 0.13 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.35 3dy3 s ILE 18 Cb -0.10 -0.06 0.01 0.00 0.13 0.00 0.00 42.46 42.44 3dy3 s ILE 18 CO 0.05 -0.02 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.63 3dy3 s PHE 18 N -0.04 0.96 0.43 3.50 0.08 -0.13 -4.97 117.98 117.79 3dy3 s PHE 18 Ca -0.01 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 56.77 3dy3 s PHE 18 Cb -0.01 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 3dy3 s PHE 18 CO 0.00 -0.16 0.65 0.71 -0.10 0.00 0.00 175.22 176.32 3dy3 s TYR 18 N 0.52 3.33 0.14 0.36 2.02 -1.26 -1.24 117.35 121.21 3dy3 s TYR 18 Ca -0.08 0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 3dy3 s TYR 18 Cb -0.12 -2.20 -0.06 0.00 -0.40 0.00 0.00 41.96 39.19 3dy3 s TYR 18 CO 0.01 -0.22 1.56 -1.35 -1.57 0.00 0.00 175.55 173.98 3dy3 h PRO 18 N 0.48 -0.34 -1.12 -1.71 0.11 -1.98 -0.09 132.00 127.35 3dy3 h PRO 18 Ca -0.47 0.02 0.32 0.00 0.11 0.00 0.00 66.00 65.99 3dy3 h PRO 18 Cb 1.24 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 3dy3 h PRO 18 CO 0.59 -0.23 0.94 -0.44 -0.21 0.00 0.00 178.00 178.65 3dy3 h ASP 18 N -0.36 0.00 0.00 -2.05 3.32 -1.96 0.14 116.42 115.51 3dy3 h ASP 18 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3dy3 h ASP 18 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3dy3 h ASP 18 CO -0.60 0.00 -0.18 -0.08 -1.72 0.00 0.00 179.24 176.66 3dy3 h GLU 18 N 0.00 0.00 0.00 3.56 4.81 -1.40 -3.40 114.58 118.15 3dy3 h GLU 18 Ca 0.53 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 3dy3 h GLU 18 Cb 2.41 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.79 3dy3 h GLU 18 CO -0.01 0.00 -0.04 0.10 -0.73 0.00 0.00 179.01 178.33 3dy3 h TYR 18 N -0.72 0.00 0.24 0.92 -0.00 -1.14 -3.29 116.97 112.97 3dy3 h TYR 18 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 3dy3 h TYR 18 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 3dy3 h TYR 18 CO -0.08 0.04 -0.14 0.93 -0.00 0.00 0.00 178.16 178.92 3dy3 h GLU 18 N 0.00 -0.35 -1.21 0.10 5.08 -0.95 -2.92 114.58 114.32 3dy3 h GLU 18 Ca -0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3dy3 h GLU 18 Cb 0.53 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3dy3 h GLU 18 CO 0.01 -0.23 0.12 1.04 -1.00 0.00 0.00 179.01 178.94 3dy3 n GLN 18 N -5.26 1.23 0.00 2.33 3.00 -1.24 -5.07 117.38 112.36 3dy3 n GLN 18 Ca -0.09 -0.51 0.13 0.00 -0.01 0.00 0.00 57.00 56.52 3dy3 n GLN 18 Cb 0.18 -1.20 0.36 0.00 0.00 0.00 0.00 30.24 29.57 3dy3 n GLN 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34