#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk0 s PHE 3 N 0.00 2.83 0.11 0.00 5.36 -1.25 -4.25 117.98 120.78 1dk0 s PHE 3 Ca 0.00 1.38 -0.07 0.00 -0.96 0.00 0.00 56.93 57.29 1dk0 s PHE 3 Cb 0.00 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 38.95 1dk0 s PHE 3 CO 0.00 -2.15 0.17 -1.54 -1.46 0.00 0.00 175.22 170.24 1dk0 s SER 4 N -0.62 0.17 0.00 6.13 1.04 -0.39 -4.95 113.70 115.08 1dk0 s SER 4 Ca 0.55 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1dk0 s SER 4 Cb -0.39 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1dk0 s SER 4 CO 0.51 -0.76 -0.10 0.54 0.98 0.00 0.00 173.24 174.41 1dk0 s VAL 5 N -3.92 0.81 0.00 5.02 0.11 -1.26 -1.30 120.40 119.87 1dk0 s VAL 5 Ca 0.11 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1dk0 s VAL 5 Cb 0.05 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1dk0 s VAL 5 CO -0.06 0.14 -0.18 0.20 -3.33 0.00 0.00 175.10 171.87 1dk0 s ASN 6 N -0.47 2.13 -0.08 3.54 0.01 -0.57 -4.98 114.94 114.52 1dk0 s ASN 6 Ca 0.03 -0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 51.64 1dk0 s ASN 6 Cb -0.05 -0.21 0.04 0.00 0.41 0.00 0.00 41.25 41.43 1dk0 s ASN 6 CO -0.00 0.19 0.39 -0.72 -1.51 0.00 0.00 177.10 175.45 1dk0 s TYR 7 N -0.54 -0.35 0.23 2.20 1.13 -1.26 -0.39 117.35 118.37 1dk0 s TYR 7 Ca 0.06 0.72 -0.32 0.00 -1.41 0.00 0.00 57.07 56.13 1dk0 s TYR 7 Cb -0.07 0.15 -0.13 0.00 -1.10 0.00 0.00 41.96 40.81 1dk0 s TYR 7 CO 0.00 -0.33 1.57 -3.47 -2.51 0.00 0.00 175.55 170.81 1dk0 n ASP 8 N 1.96 3.40 0.28 -0.18 2.03 0.25 -4.86 116.55 119.43 1dk0 n ASP 8 Ca -0.18 1.11 0.18 0.00 0.52 0.00 0.00 54.79 56.43 1dk0 n ASP 8 Cb 0.57 -1.50 0.92 0.00 -0.72 0.00 0.00 41.12 40.39 1dk0 n ASP 8 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1dk0 h SER 9 N 5.35 0.00 0.31 1.67 4.64 -1.98 -0.27 113.55 123.28 1dk0 h SER 9 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1dk0 h SER 9 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1dk0 h SER 9 CO 0.84 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.26 1dk0 n SER 10 N -3.26 0.43 -1.04 4.97 3.41 -1.26 -2.46 113.62 114.40 1dk0 n SER 10 Ca -0.01 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1dk0 n SER 10 Cb 0.30 -0.72 0.20 0.00 -0.26 0.00 0.00 64.21 63.72 1dk0 n SER 10 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dk0 n PHE 11 N -2.02 0.48 -0.35 7.33 3.01 -0.11 -4.64 117.46 121.15 1dk0 n PHE 11 Ca 0.01 -0.28 0.09 0.00 1.01 0.00 0.00 57.45 58.28 1dk0 n PHE 11 Cb 0.11 -0.00 0.26 0.00 -0.01 0.00 0.00 39.48 39.84 1dk0 n PHE 11 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1dk0 h GLY 12 N 3.94 1.68 -1.26 1.37 0.00 -1.64 -0.04 103.07 107.12 1dk0 h GLY 12 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1dk0 h GLY 12 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1dk0 n GLY 13 N -1.34 0.69 3.82 4.60 0.00 -1.26 -1.27 105.19 110.43 1dk0 n GLY 13 Ca 0.20 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1dk0 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dk0 s TYR 14 N -1.60 3.47 0.65 1.61 4.12 -0.03 -4.89 117.35 120.68 1dk0 s TYR 14 Ca 0.30 1.44 -0.13 0.00 0.02 0.00 0.00 57.07 58.69 1dk0 s TYR 14 Cb 0.16 -2.69 -0.01 0.00 -1.52 0.00 0.00 41.96 37.90 1dk0 s TYR 14 CO 0.22 0.12 1.06 -1.54 0.02 0.00 0.00 175.55 175.43 1dk0 s SER 15 N -2.01 5.54 0.19 2.29 1.04 -1.26 -1.85 113.70 117.64 1dk0 s SER 15 Ca 0.53 1.73 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 1dk0 s SER 15 Cb -0.13 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.59 1dk0 s SER 15 CO 0.18 -1.33 1.82 0.40 0.98 0.00 0.00 173.24 175.29 1dk0 h ILE 16 N -0.16 1.20 -0.89 -1.02 2.04 -1.16 -0.83 117.51 116.69 1dk0 h ILE 16 Ca -0.45 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1dk0 h ILE 16 Cb 1.22 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1dk0 h ILE 16 CO 0.57 0.21 0.51 -0.74 0.00 0.00 0.00 178.15 178.69 1dk0 h HIS 17 N 0.90 1.19 -0.32 1.37 2.76 -1.26 -0.94 115.15 118.85 1dk0 h HIS 17 Ca 0.24 -0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 1dk0 h HIS 17 Cb -0.00 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 1dk0 h HIS 17 CO -0.01 0.81 -0.37 -0.44 -1.30 0.00 0.00 177.93 176.62 1dk0 h ASP 18 N 1.23 0.78 -0.08 3.26 3.45 -1.72 -0.73 116.42 122.61 1dk0 h ASP 18 Ca 0.31 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1dk0 h ASP 18 Cb -0.01 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.54 1dk0 h ASP 18 CO -0.05 1.07 0.04 0.22 -1.57 0.00 0.00 179.24 178.95 1dk0 h TYR 19 N 0.61 0.11 -0.68 4.55 3.20 -0.82 -2.10 116.97 121.84 1dk0 h TYR 19 Ca 0.06 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1dk0 h TYR 19 Cb 0.91 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1dk0 h TYR 19 CO 0.05 0.14 0.41 -0.07 -1.64 0.00 0.00 178.16 177.05 1dk0 h LEU 20 N 0.05 0.80 -0.59 2.82 3.38 -1.06 -0.22 115.31 120.49 1dk0 h LEU 20 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dk0 h LEU 20 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1dk0 h LEU 20 CO -0.00 0.61 0.37 1.23 0.09 0.00 0.00 178.44 180.74 1dk0 h GLY 21 N 0.96 0.86 0.88 0.83 0.00 -0.97 0.44 103.07 106.06 1dk0 h GLY 21 Ca 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1dk0 h GLY 21 CO -0.05 0.34 0.07 -1.61 0.00 0.00 0.00 176.54 175.29 1dk0 h GLN 22 N 0.80 0.37 -0.38 4.80 4.15 -0.64 0.04 115.11 124.26 1dk0 h GLN 22 Ca 0.21 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.56 1dk0 h GLN 22 Cb -0.04 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1dk0 h GLN 22 CO -0.04 0.46 0.24 2.35 -1.93 0.00 0.00 178.83 179.91 1dk0 h TRP 23 N 0.22 0.46 -0.15 3.99 7.01 -0.86 -2.51 115.95 124.10 1dk0 h TRP 23 Ca 0.08 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 1dk0 h TRP 23 Cb 0.24 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1dk0 h TRP 23 CO 0.00 0.28 -0.44 0.00 -2.79 0.00 0.00 178.44 175.50 1dk0 h ALA 24 N 1.15 0.98 0.00 2.65 0.00 -0.73 0.13 119.26 123.44 1dk0 h ALA 24 Ca 0.14 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1dk0 h ALA 24 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1dk0 h ALA 24 CO -0.04 0.63 -0.36 0.66 0.00 0.00 0.00 179.25 180.14 1dk0 h SER 25 N 0.29 0.00 0.15 0.00 4.64 -0.73 -0.78 113.55 117.12 1dk0 h SER 25 Ca 0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 1dk0 h SER 25 Cb 0.89 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1dk0 h SER 25 CO 0.07 0.36 -1.32 0.74 -0.87 0.00 0.00 176.83 175.81 1dk0 h THR 26 N 0.00 1.17 -0.38 2.95 2.02 -1.16 -3.34 112.91 114.16 1dk0 h THR 26 Ca -0.00 -2.49 -0.05 0.00 0.77 0.00 0.00 66.41 64.64 1dk0 h THR 26 Cb 0.77 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1dk0 h THR 26 CO 0.05 0.74 0.04 0.15 0.37 0.00 0.00 175.52 176.87 1dk0 h PHE 27 N -0.21 0.70 0.00 3.16 3.04 -0.67 -3.43 116.94 119.54 1dk0 h PHE 27 Ca -0.26 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.58 1dk0 h PHE 27 Cb 1.83 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1dk0 h PHE 27 CO 0.14 0.71 0.00 0.41 -2.02 0.00 0.00 178.31 177.56 1dk0 n GLY 28 N -0.44 0.43 2.81 2.40 0.00 -0.31 -4.36 105.19 105.73 1dk0 n GLY 28 Ca -0.01 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1dk0 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dk0 s ASP 29 N -4.00 0.54 0.00 1.61 3.68 -1.26 -2.72 116.67 114.52 1dk0 s ASP 29 Ca 0.00 0.24 0.26 0.00 2.13 0.00 0.00 52.55 55.18 1dk0 s ASP 29 Cb 0.00 0.13 1.21 0.00 -1.45 0.00 0.00 42.92 42.80 1dk0 s ASP 29 CO 0.00 -0.21 1.87 0.55 0.13 0.00 0.00 175.17 177.51 1dk0 n VAL 30 N 4.91 0.17 -3.69 1.11 3.14 -0.80 -4.84 118.33 118.33 1dk0 n VAL 30 Ca -0.12 0.04 -0.22 0.00 -2.96 0.00 0.00 64.34 61.08 1dk0 n VAL 30 Cb 0.50 -0.59 0.04 0.00 -1.06 0.00 0.00 33.84 32.73 1dk0 n VAL 30 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1dk0 n ASN 31 N -1.42 -1.83 -4.52 6.55 5.15 -1.26 -4.86 115.26 113.07 1dk0 n ASN 31 Ca 0.09 -0.78 -0.43 0.00 -0.60 0.00 0.00 54.58 52.85 1dk0 n ASN 31 Cb 0.27 -4.19 -0.01 0.00 -0.53 0.00 0.00 39.78 35.33 1dk0 n ASN 31 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1dk0 s HIS 32 N -3.58 3.06 0.15 1.20 5.65 -1.26 -4.68 115.29 115.84 1dk0 s HIS 32 Ca 0.10 -1.68 -0.01 0.00 0.25 0.00 0.00 55.06 53.72 1dk0 s HIS 32 Cb -0.05 -4.52 -0.04 0.00 -1.18 0.00 0.00 32.58 26.79 1dk0 s HIS 32 CO 0.80 -1.63 0.07 0.95 -0.65 0.00 0.00 174.74 174.28 1dk0 s THR 33 N 3.13 0.14 0.25 0.89 -4.23 -1.26 -5.02 115.64 109.54 1dk0 s THR 33 Ca 0.46 -1.94 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 1dk0 s THR 33 Cb -0.00 -2.16 -0.13 0.00 1.34 0.00 0.00 72.50 71.54 1dk0 s THR 33 CO 0.00 -0.35 1.49 -3.20 -0.54 0.00 0.00 174.62 172.01 1dk0 n ASN 34 N -0.15 3.13 0.00 3.99 5.15 -1.26 -1.68 115.26 124.44 1dk0 n ASN 34 Ca -0.04 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 1dk0 n ASN 34 Cb 0.64 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 1dk0 n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dk0 n GLY 35 N 2.33 0.80 0.04 8.20 0.00 -1.26 -4.88 105.19 110.41 1dk0 n GLY 35 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1dk0 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dk0 n ASN 36 N 0.00 0.00 -4.61 1.61 4.13 -0.67 -5.08 115.26 110.64 1dk0 n ASN 36 Ca 0.00 -1.05 -0.38 0.00 1.68 0.00 0.00 54.58 54.83 1dk0 n ASN 36 Cb 0.00 -0.01 -0.10 0.00 -1.54 0.00 0.00 39.78 38.13 1dk0 n ASN 36 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1dk0 s VAL 37 N 0.00 5.29 0.16 2.41 1.01 -1.24 -4.66 120.40 123.36 1dk0 s VAL 37 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1dk0 s VAL 37 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1dk0 s VAL 37 CO 0.00 0.25 0.05 0.35 0.00 0.00 0.00 175.10 175.75 1dk0 n THR 38 N 4.92 0.00 0.17 3.92 -2.24 -1.26 -5.02 114.28 114.77 1dk0 n THR 38 Ca -0.13 -0.90 0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1dk0 n THR 38 Cb 0.52 0.32 0.77 0.00 -2.10 0.00 0.00 70.33 69.84 1dk0 n THR 38 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dk0 h ASP 39 N 0.61 0.00 0.90 3.42 3.32 -1.99 -2.72 116.42 119.96 1dk0 h ASP 39 Ca -0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1dk0 h ASP 39 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1dk0 h ASP 39 CO 0.19 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.62 1dk0 h ALA 40 N 1.80 1.03 0.00 3.45 0.00 -1.97 -3.22 119.26 120.35 1dk0 h ALA 40 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1dk0 h ALA 40 Cb 0.52 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.04 1dk0 h ALA 40 CO -0.00 0.11 -0.84 0.27 0.00 0.00 0.00 179.25 178.79 1dk0 n ASN 41 N -3.25 1.10 -0.01 0.00 6.94 -1.04 -4.76 115.26 114.25 1dk0 n ASN 41 Ca 0.00 -2.45 0.01 0.00 -0.02 0.00 0.00 54.58 52.12 1dk0 n ASN 41 Cb 0.34 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.29 1dk0 n ASN 41 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1dk0 n SER 42 N 0.04 0.44 -0.08 0.53 7.64 -1.15 -4.71 113.62 116.34 1dk0 n SER 42 Ca 0.09 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1dk0 n SER 42 Cb 0.99 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 1dk0 n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dk0 n GLY 43 N 1.44 -0.40 3.48 0.23 0.00 -1.26 -4.98 105.19 103.70 1dk0 n GLY 43 Ca -0.14 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 1dk0 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dk0 s GLY 44 N -2.36 -0.60 0.12 -0.02 0.00 -0.22 -5.00 107.32 99.24 1dk0 s GLY 44 Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 1dk0 s GLY 44 CO 0.00 0.65 0.32 -1.36 0.00 0.00 0.00 173.10 172.70 1dk0 s PHE 45 N -2.20 3.49 -0.20 1.90 0.40 -1.26 -1.10 117.98 119.01 1dk0 s PHE 45 Ca -0.06 0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 56.63 1dk0 s PHE 45 Cb -0.00 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1dk0 s PHE 45 CO 0.01 0.48 0.01 -0.47 0.70 0.00 0.00 175.22 175.96 1dk0 s TYR 46 N -1.63 3.07 0.00 0.36 6.14 -0.31 -4.34 117.35 120.64 1dk0 s TYR 46 Ca 0.39 -0.36 0.00 0.00 0.64 0.00 0.00 57.07 57.73 1dk0 s TYR 46 Cb -0.12 -2.09 0.00 0.00 0.42 0.00 0.00 41.96 40.16 1dk0 s TYR 46 CO 0.26 -0.18 0.00 0.41 0.64 0.00 0.00 175.55 176.68 1dk0 n GLY 47 N 4.18 0.94 0.00 8.97 0.00 -1.26 -1.66 105.19 116.36 1dk0 n GLY 47 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1dk0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk0 n GLY 48 N -1.42 0.31 0.11 -0.02 0.00 -1.07 -4.62 105.19 98.47 1dk0 n GLY 48 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1dk0 n GLY 48 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dk0 h SER 49 N 0.00 0.33 0.00 1.61 0.02 -1.97 -3.40 113.55 110.13 1dk0 h SER 49 Ca 0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1dk0 h SER 49 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1dk0 h SER 49 CO 0.00 1.16 -0.15 0.18 -1.14 0.00 0.00 176.83 176.88 1dk0 n LEU 50 N -4.35 1.58 -3.47 5.07 4.32 -1.26 -4.55 117.00 114.34 1dk0 n LEU 50 Ca -0.11 -2.33 -0.10 0.00 -0.02 0.00 0.00 56.01 53.45 1dk0 n LEU 50 Cb 0.63 -0.27 -0.02 0.00 -1.62 0.00 0.00 43.42 42.14 1dk0 n LEU 50 CO 0.43 0.54 0.56 -0.94 -1.22 0.00 0.00 177.39 176.76 1dk0 s SER 51 N -2.15 -0.46 0.00 -1.43 1.04 -1.26 -0.97 113.70 108.47 1dk0 s SER 51 Ca 0.20 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1dk0 s SER 51 Cb 0.17 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1dk0 s SER 51 CO 0.02 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1dk0 n GLY 52 N -0.30 -0.87 0.34 7.32 0.00 -0.13 -2.61 105.19 108.94 1dk0 n GLY 52 Ca -0.12 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.04 1dk0 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dk0 n SER 53 N 0.79 1.53 -3.96 1.61 3.41 -0.66 -1.51 113.62 114.83 1dk0 n SER 53 Ca 0.00 -1.20 -0.09 0.00 -0.26 0.00 0.00 58.87 57.31 1dk0 n SER 53 Cb 0.00 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 1dk0 n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dk0 s GLN 54 N -2.57 0.50 -0.02 4.33 -0.21 -1.17 -1.62 119.66 118.89 1dk0 s GLN 54 Ca 0.19 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 54.88 1dk0 s GLN 54 Cb 0.18 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 34.37 1dk0 s GLN 54 CO 0.59 -0.11 -0.16 -0.47 -2.12 0.00 0.00 175.29 173.02 1dk0 s TYR 55 N -2.32 1.49 0.04 0.91 5.04 -0.29 -1.16 117.35 121.06 1dk0 s TYR 55 Ca -0.08 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.20 1dk0 s TYR 55 Cb -0.03 -0.98 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 1dk0 s TYR 55 CO -0.04 -0.08 0.01 0.00 -1.34 0.00 0.00 175.55 174.11 1dk0 s ALA 56 N -0.19 0.19 -0.20 3.97 0.00 -0.26 -0.14 121.76 125.13 1dk0 s ALA 56 Ca 0.02 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1dk0 s ALA 56 Cb -0.08 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1dk0 s ALA 56 CO 0.00 -0.28 0.65 -1.50 0.00 0.00 0.00 175.76 174.63 1dk0 s ILE 57 N -2.65 0.00 0.19 0.00 2.07 -1.11 -1.06 121.20 118.64 1dk0 s ILE 57 Ca -0.05 -0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 1dk0 s ILE 57 Cb -0.01 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1dk0 s ILE 57 CO -0.05 -0.01 0.05 -0.44 -1.91 0.00 0.00 174.94 172.58 1dk0 s SER 58 N -0.04 5.02 0.32 4.50 0.01 -1.26 -2.47 113.70 119.78 1dk0 s SER 58 Ca -0.03 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1dk0 s SER 58 Cb -0.04 -1.15 -0.12 0.00 0.21 0.00 0.00 66.02 64.92 1dk0 s SER 58 CO 0.03 0.06 1.44 -0.24 0.41 0.00 0.00 173.24 174.94 1dk0 n SER 59 N -0.34 3.31 0.01 2.44 2.88 0.43 -4.91 113.62 117.44 1dk0 n SER 59 Ca -0.09 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1dk0 n SER 59 Cb 0.56 -1.54 0.29 0.00 -0.75 0.00 0.00 64.21 62.77 1dk0 n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1dk0 n THR 60 N 1.11 0.07 -0.03 2.46 -2.24 -1.26 -1.61 114.28 112.79 1dk0 n THR 60 Ca 0.06 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1dk0 n THR 60 Cb 0.36 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 1dk0 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dk0 h ALA 61 N 2.91 0.05 0.00 6.98 0.00 -1.88 -3.40 119.26 123.90 1dk0 h ALA 61 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1dk0 h ALA 61 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dk0 h ALA 61 CO 0.00 0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.61 1dk0 n ASN 62 N -4.50 0.71 -0.19 0.00 0.23 -1.26 -5.01 115.26 105.24 1dk0 n ASN 62 Ca -0.09 -0.89 -0.02 0.00 -0.53 0.00 0.00 54.58 53.04 1dk0 n ASN 62 Cb 0.50 0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 38.36 1dk0 n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dk0 n GLN 63 N -0.18 -1.70 0.00 -3.83 1.13 -0.63 -4.73 117.38 107.44 1dk0 n GLN 63 Ca 0.00 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.60 1dk0 n GLN 63 Cb 0.02 -4.86 0.00 0.00 0.11 0.00 0.00 30.24 25.52 1dk0 n GLN 63 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1dk0 n VAL 64 N -2.16 0.00 -2.37 5.09 3.14 -1.26 -4.81 118.33 115.96 1dk0 n VAL 64 Ca -0.02 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.95 1dk0 n VAL 64 Cb 0.46 -0.49 -0.04 0.00 -1.06 0.00 0.00 33.84 32.71 1dk0 n VAL 64 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1dk0 s THR 65 N -1.66 3.27 0.21 1.55 2.01 -1.26 -0.97 115.64 118.79 1dk0 s THR 65 Ca 0.00 1.27 -0.08 0.00 0.31 0.00 0.00 61.69 63.19 1dk0 s THR 65 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1dk0 s THR 65 CO 0.00 0.30 0.31 0.00 -0.69 0.00 0.00 174.62 174.54 1dk0 s ALA 66 N -1.08 0.35 0.07 7.40 0.00 0.00 -0.43 121.76 128.06 1dk0 s ALA 66 Ca 0.46 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1dk0 s ALA 66 Cb -0.34 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1dk0 s ALA 66 CO 0.44 -0.72 -0.02 -0.59 0.00 0.00 0.00 175.76 174.87 1dk0 s PHE 67 N -4.06 0.61 -0.07 0.00 -0.12 -1.03 -2.62 117.98 110.69 1dk0 s PHE 67 Ca 0.28 -1.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.09 1dk0 s PHE 67 Cb 0.03 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.02 1dk0 s PHE 67 CO 0.09 -0.38 -0.09 0.08 -0.05 0.00 0.00 175.22 174.87 1dk0 s VAL 68 N -3.91 0.93 -0.14 -2.49 1.01 -0.53 -2.75 120.40 112.52 1dk0 s VAL 68 Ca 0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1dk0 s VAL 68 Cb 0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1dk0 s VAL 68 CO -0.08 0.32 0.04 0.00 0.00 0.00 0.00 175.10 175.38 1dk0 s ALA 69 N 0.91 3.40 0.05 5.51 0.00 0.80 -1.32 121.76 131.12 1dk0 s ALA 69 Ca -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1dk0 s ALA 69 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1dk0 s ALA 69 CO 0.01 0.40 -0.26 0.20 0.00 0.00 0.00 175.76 176.11 1dk0 s GLY 70 N -0.30 1.41 0.00 0.00 0.00 0.22 -1.13 107.32 107.51 1dk0 s GLY 70 Ca 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1dk0 s GLY 70 CO 0.02 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.56 1dk0 n GLY 71 N 1.72 -0.40 2.77 0.20 0.00 -0.64 -0.91 105.19 107.92 1dk0 n GLY 71 Ca -0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1dk0 n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dk0 s ASN 72 N -4.00 4.06 0.02 1.61 3.04 -0.32 -4.23 114.94 115.12 1dk0 s ASN 72 Ca 0.00 -1.64 0.07 0.00 0.04 0.00 0.00 52.86 51.33 1dk0 s ASN 72 Cb 0.00 -0.94 -0.03 0.00 -1.54 0.00 0.00 41.25 38.74 1dk0 s ASN 72 CO 0.00 -0.40 -0.20 -0.76 -3.04 0.00 0.00 177.10 172.69 1dk0 s LEU 73 N 1.55 2.45 0.00 3.21 1.43 -0.57 -1.30 118.68 125.46 1dk0 s LEU 73 Ca 0.09 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1dk0 s LEU 73 Cb -0.17 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1dk0 s LEU 73 CO -0.22 0.28 -0.02 0.28 0.23 0.00 0.00 176.35 176.90 1dk0 s THR 74 N -0.82 0.15 -0.10 5.49 -1.32 -0.39 -0.95 115.64 117.70 1dk0 s THR 74 Ca 0.13 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1dk0 s THR 74 Cb -0.10 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1dk0 s THR 74 CO 0.03 -0.02 -0.15 -0.47 -2.21 0.00 0.00 174.62 171.80 1dk0 s TYR 75 N -0.21 2.74 -0.69 9.09 5.04 -0.14 -0.72 117.35 132.46 1dk0 s TYR 75 Ca -0.01 -0.49 0.26 0.00 -2.44 0.00 0.00 57.07 54.39 1dk0 s TYR 75 Cb -0.02 -1.75 0.73 0.00 0.35 0.00 0.00 41.96 41.28 1dk0 s TYR 75 CO -0.00 -0.08 1.74 1.79 -1.34 0.00 0.00 175.55 177.66 1dk0 h THR 76 N 5.01 0.00 0.00 4.34 1.35 -1.42 -3.46 112.91 118.73 1dk0 h THR 76 Ca -0.33 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1dk0 h THR 76 Cb 1.19 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1dk0 h THR 76 CO 0.53 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.69 1dk0 n LEU 77 N -2.37 0.00 -0.84 3.87 7.94 -1.26 -1.06 117.00 123.27 1dk0 n LEU 77 Ca 0.05 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.05 1dk0 n LEU 77 Cb 0.44 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.52 1dk0 n LEU 77 CO 0.31 0.00 0.59 0.49 -1.11 0.00 0.00 177.39 177.67 1dk0 n PHE 78 N 0.00 0.20 -2.46 1.96 0.99 -1.26 -0.26 117.46 116.63 1dk0 n PHE 78 Ca 0.00 -0.13 -0.38 0.00 -0.00 0.00 0.00 57.45 56.95 1dk0 n PHE 78 Cb 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.44 1dk0 n PHE 78 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1dk0 s ASN 79 N -1.43 6.80 0.33 4.37 0.01 -0.22 -4.75 114.94 120.03 1dk0 s ASN 79 Ca 0.27 2.17 -0.28 0.00 -0.71 0.00 0.00 52.86 54.30 1dk0 s ASN 79 Cb 0.17 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.14 1dk0 s ASN 79 CO 0.24 -0.47 1.12 -1.61 -1.51 0.00 0.00 177.10 174.87 1dk0 s GLU 80 N -2.23 4.43 0.15 -0.60 0.41 -1.26 -2.53 118.70 117.07 1dk0 s GLU 80 Ca 0.55 1.80 -0.30 0.00 -0.41 0.00 0.00 54.97 56.60 1dk0 s GLU 80 Cb -0.26 -2.97 -0.08 0.00 -1.78 0.00 0.00 34.13 29.03 1dk0 s GLU 80 CO 0.33 0.02 1.28 -2.14 -0.49 0.00 0.00 175.26 174.27 1dk0 s PRO 81 N -1.81 4.40 0.51 0.39 0.02 -1.26 -4.99 135.00 132.26 1dk0 s PRO 81 Ca 0.49 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 63.25 1dk0 s PRO 81 Cb -0.31 -3.25 -0.06 0.00 0.02 0.00 0.00 34.50 30.90 1dk0 s PRO 81 CO 0.39 -0.26 1.36 0.00 -0.33 0.00 0.00 177.00 178.17 1dk0 s ALA 82 N 0.50 2.98 -1.29 -1.55 0.00 -1.05 -3.57 121.76 117.77 1dk0 s ALA 82 Ca 0.58 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 1dk0 s ALA 82 Cb -0.34 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.22 1dk0 s ALA 82 CO 0.34 -1.25 0.84 0.72 0.00 0.00 0.00 175.76 176.41 1dk0 n HIS 83 N -0.69 -2.08 -4.65 0.00 8.25 0.64 -4.93 115.22 111.77 1dk0 n HIS 83 Ca 0.08 0.89 -0.33 0.00 -0.26 0.00 0.00 57.72 58.10 1dk0 n HIS 83 Cb 0.44 -4.63 -0.15 0.00 1.12 0.00 0.00 29.99 26.77 1dk0 n HIS 83 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1dk0 s THR 84 N -3.53 2.63 -0.12 1.59 2.01 -1.23 -4.94 115.64 112.05 1dk0 s THR 84 Ca 0.08 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 1dk0 s THR 84 Cb -0.04 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1dk0 s THR 84 CO 0.78 0.52 0.44 -0.22 -0.69 0.00 0.00 174.62 175.46 1dk0 s LEU 85 N 0.69 4.28 0.28 4.42 2.96 -1.26 -1.10 118.68 128.96 1dk0 s LEU 85 Ca -0.08 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1dk0 s LEU 85 Cb -0.16 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1dk0 s LEU 85 CO 0.02 0.04 0.28 -0.72 -1.32 0.00 0.00 176.35 174.64 1dk0 s TYR 86 N 0.50 1.30 -1.91 5.38 -0.85 0.11 -2.87 117.35 119.01 1dk0 s TYR 86 Ca 0.24 -1.41 0.00 0.00 -0.52 0.00 0.00 57.07 55.38 1dk0 s TYR 86 Cb -0.15 -0.47 0.00 0.00 0.38 0.00 0.00 41.96 41.72 1dk0 s TYR 86 CO 0.09 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.69 1dk0 n GLY 87 N -0.46 0.44 3.13 5.49 0.00 -0.99 -1.27 105.19 111.53 1dk0 n GLY 87 Ca 0.04 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1dk0 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dk0 s GLN 88 N -0.91 3.01 -0.31 1.61 -0.21 -0.42 -1.77 119.66 120.66 1dk0 s GLN 88 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 1dk0 s GLN 88 Cb 0.00 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.40 1dk0 s GLN 88 CO 0.00 -0.22 0.12 -1.17 -2.12 0.00 0.00 175.29 171.90 1dk0 s LEU 89 N 1.30 4.04 -0.20 2.90 2.96 0.55 -1.17 118.68 129.06 1dk0 s LEU 89 Ca 0.05 -0.68 0.10 0.00 -0.22 0.00 0.00 54.13 53.38 1dk0 s LEU 89 Cb -0.13 -1.94 -0.19 0.00 0.50 0.00 0.00 46.19 44.43 1dk0 s LEU 89 CO -0.12 -0.21 -0.06 -0.67 -1.32 0.00 0.00 176.35 173.97 1dk0 n ASP 90 N 4.92 1.30 -4.02 3.68 -0.08 -0.09 -2.13 116.55 120.14 1dk0 n ASP 90 Ca -0.14 -0.06 -0.09 0.00 -1.51 0.00 0.00 54.79 52.99 1dk0 n ASP 90 Cb 0.48 0.36 -0.11 0.00 2.34 0.00 0.00 41.12 44.19 1dk0 n ASP 90 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1dk0 s SER 91 N -5.66 0.44 -0.05 1.67 1.04 -0.88 -1.64 113.70 108.62 1dk0 s SER 91 Ca -0.19 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1dk0 s SER 91 Cb 0.07 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1dk0 s SER 91 CO 0.64 -0.34 -0.04 -0.76 0.98 0.00 0.00 173.24 173.72 1dk0 s LEU 92 N -1.80 1.24 0.13 2.42 2.01 -0.42 -0.61 118.68 121.64 1dk0 s LEU 92 Ca -0.10 -0.13 0.10 0.00 0.01 0.00 0.00 54.13 54.01 1dk0 s LEU 92 Cb -0.06 -0.47 -0.04 0.00 0.01 0.00 0.00 46.19 45.63 1dk0 s LEU 92 CO -0.02 -0.07 -0.23 -0.94 1.01 0.00 0.00 176.35 176.09 1dk0 s SER 93 N 1.07 3.56 -0.01 2.29 1.04 -0.43 -0.57 113.70 120.64 1dk0 s SER 93 Ca -0.09 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1dk0 s SER 93 Cb -0.14 -0.36 -0.00 0.00 0.10 0.00 0.00 66.02 65.62 1dk0 s SER 93 CO -0.01 0.17 -0.10 -0.36 0.98 0.00 0.00 173.24 173.93 1dk0 s PHE 94 N -1.15 0.92 -2.50 5.02 0.40 -0.24 -1.46 117.98 118.98 1dk0 s PHE 94 Ca 0.16 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1dk0 s PHE 94 Cb -0.10 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1dk0 s PHE 94 CO 0.08 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.37 1dk0 n GLY 95 N 2.98 -0.84 3.65 4.36 0.00 -1.08 -0.58 105.19 113.68 1dk0 n GLY 95 Ca -0.15 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1dk0 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dk0 s ASP 96 N -4.00 5.19 0.00 1.61 1.01 -0.73 -0.82 116.67 118.93 1dk0 s ASP 96 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.36 1dk0 s ASP 96 Cb 0.00 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.38 1dk0 s ASP 96 CO 0.00 0.33 0.00 0.61 0.21 0.00 0.00 175.17 176.32 1dk0 n GLY 97 N 2.44 -0.75 3.74 0.21 0.00 -0.14 -1.30 105.19 109.38 1dk0 n GLY 97 Ca -0.18 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1dk0 n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dk0 s LEU 98 N -0.00 4.49 0.15 0.99 2.96 -1.26 0.15 118.68 126.16 1dk0 s LEU 98 Ca 0.00 1.67 0.07 0.00 -0.22 0.00 0.00 54.13 55.66 1dk0 s LEU 98 Cb 0.00 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1dk0 s LEU 98 CO 0.00 -0.03 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.91 1dk0 s SER 99 N -0.07 2.37 0.24 3.68 1.04 -0.52 -4.93 113.70 115.51 1dk0 s SER 99 Ca 0.44 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1dk0 s SER 99 Cb -0.22 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1dk0 s SER 99 CO 0.27 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1dk0 n GLY 100 N 0.28 -0.43 0.00 7.32 0.00 -1.26 -1.39 105.19 109.71 1dk0 n GLY 100 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1dk0 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk0 n GLY 101 N 0.00 0.77 0.42 -0.02 0.00 0.59 -4.73 105.19 102.22 1dk0 n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dk0 n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dk0 n ASP 102 N 0.00 0.00 -0.24 1.61 8.00 -1.26 -4.63 116.55 120.03 1dk0 n ASP 102 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1dk0 n ASP 102 Cb 0.00 -0.05 0.44 0.00 -0.02 0.00 0.00 41.12 41.49 1dk0 n ASP 102 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dk0 n THR 103 N -1.83 0.00 -4.14 -3.53 -2.24 -1.26 -4.87 114.28 96.41 1dk0 n THR 103 Ca 0.00 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1dk0 n THR 103 Cb 0.00 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 1dk0 n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dk0 s SER 104 N -2.46 0.83 0.74 3.42 1.04 -1.26 -5.14 113.70 110.87 1dk0 s SER 104 Ca 0.26 -1.03 -0.14 0.00 0.48 0.00 0.00 55.95 55.52 1dk0 s SER 104 Cb 0.20 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.52 1dk0 s SER 104 CO 0.50 -0.55 1.16 -2.84 0.98 0.00 0.00 173.24 172.49 1dk0 s PRO 105 N -3.89 2.14 0.50 4.02 0.02 -1.26 -0.30 135.00 136.23 1dk0 s PRO 105 Ca 0.12 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.50 1dk0 s PRO 105 Cb 0.07 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 1dk0 s PRO 105 CO -0.06 -1.80 1.23 0.71 -0.33 0.00 0.00 177.00 176.75 1dk0 s TYR 106 N -2.26 2.64 0.27 6.54 1.51 -1.26 -3.54 117.35 121.25 1dk0 s TYR 106 Ca 0.70 1.49 0.03 0.00 -1.01 0.00 0.00 57.07 58.28 1dk0 s TYR 106 Cb -0.25 -3.51 -0.01 0.00 -0.11 0.00 0.00 41.96 38.08 1dk0 s TYR 106 CO 0.47 -2.00 0.29 0.45 -1.11 0.00 0.00 175.55 173.65 1dk0 n SER 107 N -0.81 -0.78 -4.18 2.29 2.88 -0.48 -4.91 113.62 107.63 1dk0 n SER 107 Ca 0.09 -2.67 -0.31 0.00 -1.33 0.00 0.00 58.87 54.66 1dk0 n SER 107 Cb 0.47 1.62 -0.17 0.00 -0.75 0.00 0.00 64.21 65.39 1dk0 n SER 107 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dk0 s ILE 108 N -2.95 1.87 0.16 2.46 -1.09 -1.26 -1.43 121.20 118.96 1dk0 s ILE 108 Ca 0.29 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 1dk0 s ILE 108 Cb 0.01 -1.63 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 1dk0 s ILE 108 CO 0.20 0.52 1.48 1.56 -1.23 0.00 0.00 174.94 177.47 1dk0 h GLN 109 N 6.82 0.82 -2.97 2.79 4.20 -0.20 -3.36 115.11 123.20 1dk0 h GLN 109 Ca -0.22 -0.46 -0.61 0.00 0.06 0.00 0.00 58.65 57.41 1dk0 h GLN 109 Cb 1.22 0.03 -0.40 0.00 0.30 0.00 0.00 27.48 28.64 1dk0 h GLN 109 CO 0.48 1.10 -0.73 0.08 -0.67 0.00 0.00 178.83 179.09 1dk0 s VAL 110 N -4.24 1.63 0.34 -0.54 1.01 -0.42 -5.04 120.40 113.13 1dk0 s VAL 110 Ca -0.10 -2.90 -0.27 0.00 0.00 0.00 0.00 61.98 58.72 1dk0 s VAL 110 Cb 0.11 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 1dk0 s VAL 110 CO 0.87 -0.94 1.05 -2.16 0.00 0.00 0.00 175.10 173.92 1dk0 s PRO 111 N -0.02 4.42 -0.18 2.72 0.04 -1.26 -1.78 135.00 138.95 1dk0 s PRO 111 Ca 0.20 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1dk0 s PRO 111 Cb -0.18 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1dk0 s PRO 111 CO -0.05 0.07 -0.28 -0.25 0.04 0.00 0.00 177.00 176.54 1dk0 n ASP 112 N 0.55 1.90 -3.81 6.66 8.00 0.25 -4.60 116.55 125.51 1dk0 n ASP 112 Ca 0.02 0.42 -0.12 0.00 0.71 0.00 0.00 54.79 55.82 1dk0 n ASP 112 Cb 0.48 -0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 1dk0 n ASP 112 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dk0 s VAL 113 N -2.67 0.04 0.02 2.53 1.01 -1.10 -0.58 120.40 119.64 1dk0 s VAL 113 Ca -0.26 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1dk0 s VAL 113 Cb 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1dk0 s VAL 113 CO 0.38 -0.18 -0.06 -0.55 0.00 0.00 0.00 175.10 174.70 1dk0 s SER 114 N -0.68 0.65 -0.09 3.32 0.15 0.48 -1.08 113.70 116.44 1dk0 s SER 114 Ca -0.08 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.28 1dk0 s SER 114 Cb -0.04 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1dk0 s SER 114 CO 0.02 -0.08 -0.15 -0.36 1.20 0.00 0.00 173.24 173.87 1dk0 s PHE 115 N -0.73 2.74 0.30 3.44 0.40 0.26 -1.51 117.98 122.88 1dk0 s PHE 115 Ca -0.04 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1dk0 s PHE 115 Cb -0.06 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1dk0 s PHE 115 CO 0.00 -0.07 0.08 0.20 0.70 0.00 0.00 175.22 176.13 1dk0 s GLY 116 N -0.09 1.97 -1.23 4.36 0.00 -0.42 -1.31 107.32 110.61 1dk0 s GLY 116 Ca -0.02 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 1dk0 s GLY 116 CO 0.04 -1.73 0.28 0.61 0.00 0.00 0.00 173.10 172.29 1dk0 n GLY 117 N -0.61 -0.24 0.17 0.20 0.00 -0.88 -1.27 105.19 102.57 1dk0 n GLY 117 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1dk0 n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dk0 h LEU 118 N -0.63 0.00 -0.94 0.99 -0.00 -1.53 -3.32 115.31 109.88 1dk0 h LEU 118 Ca -0.39 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.04 1dk0 h LEU 118 Cb 1.27 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.96 1dk0 h LEU 118 CO 0.43 0.47 -0.73 -3.20 -0.00 0.00 0.00 178.44 175.41 1dk0 n ASN 119 N -3.93 -5.33 -4.74 -0.43 5.15 -1.21 -4.96 115.26 99.80 1dk0 n ASN 119 Ca -0.01 -0.70 -0.35 0.00 -0.60 0.00 0.00 54.58 52.92 1dk0 n ASN 119 Cb 0.50 -4.28 -0.08 0.00 -0.53 0.00 0.00 39.78 35.38 1dk0 n ASN 119 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1dk0 s LEU 120 N -7.29 4.20 -0.02 1.20 1.43 -0.91 -4.98 118.68 112.32 1dk0 s LEU 120 Ca 0.63 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1dk0 s LEU 120 Cb -0.31 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1dk0 s LEU 120 CO 0.80 0.21 0.15 -0.94 0.23 0.00 0.00 176.35 176.79 1dk0 s SER 121 N 0.19 -0.05 0.06 2.29 1.04 -1.26 -0.33 113.70 115.64 1dk0 s SER 121 Ca 0.09 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 1dk0 s SER 121 Cb -0.11 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.28 1dk0 s SER 121 CO -0.01 -0.25 0.28 -0.44 0.98 0.00 0.00 173.24 173.80 1dk0 s SER 122 N -0.81 -0.07 0.16 7.02 0.01 -0.73 -4.72 113.70 114.55 1dk0 s SER 122 Ca -0.09 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 56.90 1dk0 s SER 122 Cb -0.05 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 1dk0 s SER 122 CO 0.01 -0.65 0.13 -0.76 0.41 0.00 0.00 173.24 172.38 1dk0 s LEU 123 N -2.30 3.80 0.36 2.44 2.01 -1.26 -2.36 118.68 121.38 1dk0 s LEU 123 Ca -0.02 -0.12 0.11 0.00 0.01 0.00 0.00 54.13 54.11 1dk0 s LEU 123 Cb 0.01 -2.42 0.87 0.00 0.01 0.00 0.00 46.19 44.65 1dk0 s LEU 123 CO -0.06 0.08 1.84 -0.61 1.01 0.00 0.00 176.35 178.62 1dk0 h GLN 124 N 2.50 0.62 0.00 1.70 4.15 -1.95 -1.90 115.11 120.23 1dk0 h GLN 124 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1dk0 h GLN 124 Cb 1.20 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1dk0 h GLN 124 CO 0.63 0.41 0.00 0.00 -1.93 0.00 0.00 178.83 177.94 1dk0 h ALA 125 N 1.61 1.00 0.00 3.38 0.00 -1.94 -1.47 119.26 121.83 1dk0 h ALA 125 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dk0 h ALA 125 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dk0 h ALA 125 CO -0.24 0.00 0.00 1.96 0.00 0.00 0.00 179.25 180.97 1dk0 h GLN 126 N 0.00 0.00 0.00 0.00 4.20 -1.75 -3.49 115.11 114.08 1dk0 h GLN 126 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1dk0 h GLN 126 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1dk0 h GLN 126 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1dk0 n GLY 127 N 0.84 2.84 0.00 3.46 0.00 -0.56 -1.75 105.19 110.03 1dk0 n GLY 127 Ca 0.04 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1dk0 n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dk0 n HIS 128 N 13.80 0.00 0.64 1.61 8.25 -1.26 -2.37 115.22 135.88 1dk0 n HIS 128 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1dk0 n HIS 128 Cb 0.00 -0.27 0.46 0.00 1.12 0.00 0.00 29.99 31.30 1dk0 n HIS 128 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1dk0 n ASP 129 N -1.27 0.54 -4.77 0.41 10.43 -0.72 -4.47 116.55 116.70 1dk0 n ASP 129 Ca 0.14 0.58 -0.38 0.00 2.57 0.00 0.00 54.79 57.70 1dk0 n ASP 129 Cb 0.23 -0.71 -0.02 0.00 1.84 0.00 0.00 41.12 42.45 1dk0 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1dk0 s GLY 130 N -3.40 2.84 0.27 0.44 0.00 -1.00 -4.88 107.32 101.59 1dk0 s GLY 130 Ca 0.09 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.75 1dk0 s GLY 130 CO 0.50 1.41 1.72 -0.24 0.00 0.00 0.00 173.10 176.49 1dk0 h VAL 131 N 2.26 1.26 -0.37 1.40 3.04 -1.91 -2.08 116.25 119.86 1dk0 h VAL 131 Ca -0.49 -1.25 -0.03 0.00 -1.01 0.00 0.00 66.70 63.92 1dk0 h VAL 131 Cb 1.23 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1dk0 h VAL 131 CO 0.62 0.40 0.10 0.58 -1.01 0.00 0.00 177.57 178.27 1dk0 h VAL 132 N 0.46 1.22 0.03 1.51 2.07 -1.87 -0.20 116.25 119.47 1dk0 h VAL 132 Ca 0.07 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1dk0 h VAL 132 Cb 0.66 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1dk0 h VAL 132 CO 0.05 0.25 -0.12 -0.74 0.02 0.00 0.00 177.57 177.03 1dk0 h HIS 133 N 0.45 -0.31 -0.89 1.57 6.17 -1.36 -1.49 115.15 119.29 1dk0 h HIS 133 Ca 0.12 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1dk0 h HIS 133 Cb 0.28 0.13 -0.04 0.00 2.52 0.00 0.00 27.41 30.30 1dk0 h HIS 133 CO 0.01 -0.18 0.47 1.96 0.71 0.00 0.00 177.93 180.90 1dk0 h GLN 134 N -0.22 1.25 -0.12 5.26 4.20 -1.17 0.03 115.11 124.35 1dk0 h GLN 134 Ca 0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1dk0 h GLN 134 Cb 0.26 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1dk0 h GLN 134 CO -0.10 0.93 0.02 0.28 -0.67 0.00 0.00 178.83 179.30 1dk0 h VAL 135 N 1.25 1.21 0.21 -0.54 2.07 -0.88 -1.55 116.25 118.01 1dk0 h VAL 135 Ca 0.31 -0.65 -0.32 0.00 0.82 0.00 0.00 66.70 66.86 1dk0 h VAL 135 Cb 0.06 1.41 0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1dk0 h VAL 135 CO -0.05 0.19 -1.40 0.58 0.02 0.00 0.00 177.57 176.92 1dk0 h VAL 136 N -0.02 1.28 -0.46 2.57 2.07 -1.08 -2.18 116.25 118.44 1dk0 h VAL 136 Ca 0.04 -2.62 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 1dk0 h VAL 136 Cb 0.27 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1dk0 h VAL 136 CO 0.00 0.79 0.18 0.22 0.02 0.00 0.00 177.57 178.78 1dk0 h TYR 137 N 0.20 0.64 -0.27 1.57 3.20 -1.10 -1.45 116.97 119.77 1dk0 h TYR 137 Ca -0.23 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 1dk0 h TYR 137 Cb 2.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 1dk0 h TYR 137 CO 0.12 0.50 0.13 0.78 -1.64 0.00 0.00 178.16 178.06 1dk0 h GLY 138 N 0.79 0.42 1.02 1.82 0.00 -1.12 -2.47 103.07 103.53 1dk0 h GLY 138 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1dk0 h GLY 138 CO -0.02 0.20 0.59 1.41 0.00 0.00 0.00 176.54 178.72 1dk0 h LEU 139 N 0.30 1.11 -1.96 3.11 3.38 -0.84 0.18 115.31 120.60 1dk0 h LEU 139 Ca 0.09 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1dk0 h LEU 139 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1dk0 h LEU 139 CO -0.01 0.84 0.13 0.24 0.09 0.00 0.00 178.44 179.73 1dk0 h MET 140 N 1.29 0.05 -0.54 1.13 2.86 -1.12 -1.47 114.93 117.14 1dk0 h MET 140 Ca 0.34 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1dk0 h MET 140 Cb -0.09 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1dk0 h MET 140 CO -0.07 0.03 0.00 0.43 1.06 0.00 0.00 176.91 178.37 1dk0 n SER 141 N -4.49 2.87 -1.29 1.22 7.64 -0.49 -1.90 113.62 117.17 1dk0 n SER 141 Ca 0.01 -2.00 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 1dk0 n SER 141 Cb 0.23 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1dk0 n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dk0 n GLY 142 N 1.35 0.18 3.03 0.23 0.00 -0.55 -4.56 105.19 104.87 1dk0 n GLY 142 Ca 0.18 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1dk0 n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dk0 s ASP 143 N -2.54 4.58 0.00 1.61 -1.08 0.52 -4.87 116.67 114.90 1dk0 s ASP 143 Ca 0.00 -1.80 0.11 0.00 -0.52 0.00 0.00 52.55 50.34 1dk0 s ASP 143 Cb 0.00 -1.55 0.41 0.00 -1.46 0.00 0.00 42.92 40.32 1dk0 s ASP 143 CO 0.00 -0.30 1.31 0.35 0.52 0.00 0.00 175.17 177.05 1dk0 n THR 144 N 4.36 0.29 -0.06 1.71 -2.24 -1.26 -3.37 114.28 113.71 1dk0 n THR 144 Ca -0.04 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 1dk0 n THR 144 Cb 0.42 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1dk0 n THR 144 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dk0 h GLY 145 N 5.35 0.24 1.19 3.38 0.00 -1.93 0.86 103.07 112.15 1dk0 h GLY 145 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1dk0 h GLY 145 CO 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 176.54 176.78 1dk0 h ALA 146 N 1.20 1.17 -0.23 3.60 0.00 -1.85 -0.57 119.26 122.59 1dk0 h ALA 146 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dk0 h ALA 146 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dk0 h ALA 146 CO -0.19 0.60 0.12 1.25 0.00 0.00 0.00 179.25 181.04 1dk0 h LEU 147 N 1.01 0.28 -1.17 0.00 6.46 -1.73 -1.97 115.31 118.19 1dk0 h LEU 147 Ca 0.24 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1dk0 h LEU 147 Cb 0.20 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1dk0 h LEU 147 CO -0.02 0.29 -0.06 -0.33 -0.62 0.00 0.00 178.44 177.69 1dk0 h GLU 148 N 0.26 0.50 -0.60 1.25 5.08 -0.23 0.14 114.58 120.98 1dk0 h GLU 148 Ca 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1dk0 h GLU 148 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1dk0 h GLU 148 CO -0.01 0.57 0.33 1.15 -1.00 0.00 0.00 179.01 180.05 1dk0 h THR 149 N 0.47 1.20 -0.40 1.13 2.02 -1.02 -0.19 112.91 116.12 1dk0 h THR 149 Ca 0.10 -0.50 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 1dk0 h THR 149 Cb 0.40 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1dk0 h THR 149 CO 0.02 0.21 -0.32 0.00 0.37 0.00 0.00 175.52 175.80 1dk0 h ALA 150 N 1.15 0.68 -0.45 6.16 0.00 -0.83 -2.59 119.26 123.37 1dk0 h ALA 150 Ca 0.21 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1dk0 h ALA 150 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dk0 h ALA 150 CO -0.03 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.71 1dk0 h LEU 151 N 0.75 0.80 -1.43 0.00 3.38 -0.49 -2.36 115.31 115.96 1dk0 h LEU 151 Ca 0.08 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1dk0 h LEU 151 Cb 0.89 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1dk0 h LEU 151 CO 0.08 0.93 0.41 0.78 0.09 0.00 0.00 178.44 180.72 1dk0 h ASN 152 N 0.73 0.65 -0.79 -0.43 2.35 -0.83 0.32 115.58 117.57 1dk0 h ASN 152 Ca 0.12 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1dk0 h ASN 152 Cb 0.59 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1dk0 h ASN 152 CO 0.04 0.45 0.39 1.23 -1.65 0.00 0.00 177.43 177.89 1dk0 h GLY 153 N 0.75 1.22 0.85 2.83 0.00 -1.05 -1.94 103.07 105.73 1dk0 h GLY 153 Ca 0.24 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1dk0 h GLY 153 CO -0.06 0.56 -0.39 -2.22 0.00 0.00 0.00 176.54 174.43 1dk0 h ILE 154 N 1.12 1.36 0.00 2.60 2.04 -0.92 -3.28 117.51 120.43 1dk0 h ILE 154 Ca 0.27 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1dk0 h ILE 154 Cb 0.10 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1dk0 h ILE 154 CO -0.04 0.51 0.00 -0.07 0.00 0.00 0.00 178.15 178.55 1dk0 h LEU 155 N 0.12 0.00 -1.98 1.44 3.38 -0.89 -2.99 115.31 114.40 1dk0 h LEU 155 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1dk0 h LEU 155 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1dk0 h LEU 155 CO 0.08 0.00 -0.05 -0.78 0.09 0.00 0.00 178.44 177.79 1dk0 h ASP 156 N 0.00 0.00 0.60 -0.43 3.58 -1.40 0.44 116.42 119.20 1dk0 h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1dk0 h ASP 156 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1dk0 h ASP 156 CO 0.00 0.05 0.00 0.44 -2.88 0.00 0.00 179.24 176.85 1dk0 h ASP 157 N 0.00 0.00 -0.02 2.28 3.32 -1.71 -1.63 116.42 118.67 1dk0 h ASP 157 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dk0 h ASP 157 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1dk0 h ASP 157 CO 0.01 0.00 -0.10 -1.22 -1.72 0.00 0.00 179.24 176.21 1dk0 n TYR 158 N -2.67 0.00 -0.72 4.55 4.02 0.04 -4.96 117.16 117.42 1dk0 n TYR 158 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1dk0 n TYR 158 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1dk0 n TYR 158 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dk0 n GLY 159 N 0.99 0.63 2.14 2.72 0.00 -0.61 -5.04 105.19 106.01 1dk0 n GLY 159 Ca 0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1dk0 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dk0 n LEU 160 N 0.00 0.00 0.00 0.99 4.77 -0.60 -4.97 117.00 117.18 1dk0 n LEU 160 Ca 0.00 -1.65 -0.03 0.00 -0.03 0.00 0.00 56.01 54.30 1dk0 n LEU 160 Cb 0.00 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1dk0 n LEU 160 CO 0.00 -0.41 0.18 -1.54 -1.33 0.00 0.00 177.39 174.28 1dk0 n SER 161 N -1.79 -0.77 0.00 -1.43 3.41 -1.26 -3.59 113.62 108.19 1dk0 n SER 161 Ca -0.03 -1.55 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 1dk0 n SER 161 Cb 0.36 1.29 0.52 0.00 -0.26 0.00 0.00 64.21 66.11 1dk0 n SER 161 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1dk0 n VAL 162 N -0.18 0.39 1.14 -3.33 0.24 -1.26 -1.10 118.33 114.23 1dk0 n VAL 162 Ca -0.03 0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 1dk0 n VAL 162 Cb 0.20 -0.72 0.66 0.00 -1.47 0.00 0.00 33.84 32.51 1dk0 n VAL 162 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1dk0 n ASN 163 N -1.39 0.01 -4.80 -1.34 4.05 -1.26 -0.83 115.26 109.71 1dk0 n ASN 163 Ca 0.08 0.28 -0.35 0.00 0.45 0.00 0.00 54.58 55.04 1dk0 n ASN 163 Cb 0.22 -0.42 -0.05 0.00 1.23 0.00 0.00 39.78 40.76 1dk0 n ASN 163 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1dk0 s SER 164 N -2.86 6.68 0.64 1.20 0.01 -0.25 -4.74 113.70 114.38 1dk0 s SER 164 Ca 0.19 1.90 -0.11 0.00 1.31 0.00 0.00 55.95 59.24 1dk0 s SER 164 Cb 0.19 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 1dk0 s SER 164 CO 0.51 -0.54 1.04 0.42 0.41 0.00 0.00 173.24 175.08 1dk0 s THR 165 N -1.90 4.44 0.26 1.44 -4.23 -1.26 -1.81 115.64 112.58 1dk0 s THR 165 Ca 0.62 0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 61.89 1dk0 s THR 165 Cb -0.17 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.22 1dk0 s THR 165 CO 0.21 -1.02 1.90 -0.26 -0.54 0.00 0.00 174.62 174.91 1dk0 h PHE 166 N -0.42 1.15 -0.38 3.99 -1.00 -1.25 -0.34 116.94 118.70 1dk0 h PHE 166 Ca -0.44 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.28 1dk0 h PHE 166 Cb 1.20 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 1dk0 h PHE 166 CO 0.64 0.77 0.04 -0.44 -1.61 0.00 0.00 178.31 177.71 1dk0 h ASP 167 N 1.20 0.55 -0.35 2.17 3.32 -1.48 0.43 116.42 122.26 1dk0 h ASP 167 Ca 0.31 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1dk0 h ASP 167 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1dk0 h ASP 167 CO -0.06 0.60 0.12 1.56 -1.72 0.00 0.00 179.24 179.74 1dk0 h GLN 168 N 0.57 0.54 -0.65 3.56 4.20 -1.61 -1.54 115.11 120.19 1dk0 h GLN 168 Ca 0.12 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1dk0 h GLN 168 Cb 0.31 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1dk0 h GLN 168 CO 0.01 0.55 0.24 0.28 -0.67 0.00 0.00 178.83 179.23 1dk0 h VAL 169 N 0.42 1.23 -0.86 -0.54 2.07 -0.66 -2.34 116.25 115.56 1dk0 h VAL 169 Ca 0.12 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1dk0 h VAL 169 Cb 0.22 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1dk0 h VAL 169 CO -0.01 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.37 1dk0 h ALA 170 N 1.33 1.10 -0.23 1.67 0.00 -0.80 -1.40 119.26 120.93 1dk0 h ALA 170 Ca 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1dk0 h ALA 170 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dk0 h ALA 170 CO -0.02 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 1dk0 h ALA 171 N 1.27 1.17 0.00 0.00 0.00 -0.78 -1.51 119.26 119.41 1dk0 h ALA 171 Ca 0.31 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1dk0 h ALA 171 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dk0 h ALA 171 CO -0.05 0.53 -0.68 0.00 0.00 0.00 0.00 179.25 179.05 1dk0 h ALA 172 N 1.37 0.62 -0.01 0.00 0.00 -0.92 -3.35 119.26 116.97 1dk0 h ALA 172 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1dk0 h ALA 172 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dk0 h ALA 172 CO 0.04 0.85 -0.26 0.25 0.00 0.00 0.00 179.25 180.13 1dk0 n THR 173 N -3.36 0.00 1.12 0.00 -2.24 -0.59 -5.09 114.28 104.12 1dk0 n THR 173 Ca 0.01 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1dk0 n THR 173 Cb 0.77 1.10 0.53 0.00 -2.10 0.00 0.00 70.33 70.64 1dk0 n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50