#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duk s SER 2 N 0.00 0.32 0.00 1.61 0.15 -1.26 -5.23 113.70 109.29 3duk s SER 2 Ca 0.00 -0.35 0.21 0.00 0.70 0.00 0.00 55.95 56.51 3duk s SER 2 Cb 0.00 0.05 0.41 0.00 -1.71 0.00 0.00 66.02 64.77 3duk s SER 2 CO 0.00 -0.18 1.36 1.33 1.20 0.00 0.00 173.24 176.96 3duk n VAL 3 N 2.06 0.55 -1.68 4.45 0.24 -1.26 -4.54 118.33 118.16 3duk n VAL 3 Ca -0.20 -0.78 -0.47 0.00 -2.04 0.00 0.00 64.34 60.85 3duk n VAL 3 Cb 0.56 0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 33.82 3duk n VAL 3 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3duk n LYS 4 N 1.38 2.24 -2.14 7.34 4.81 -1.26 -4.45 118.16 126.08 3duk n LYS 4 Ca 0.18 0.82 -0.42 0.00 -0.87 0.00 0.00 58.31 58.02 3duk n LYS 4 Cb 0.57 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 3duk n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3duk s VAL 5 N 3.54 3.71 0.19 3.15 1.01 -1.26 -4.97 120.40 125.76 3duk s VAL 5 Ca 0.90 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3duk s VAL 5 Cb -0.67 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3duk s VAL 5 CO 0.48 -0.05 0.03 -0.94 0.00 0.00 0.00 175.10 174.62 3duk s SER 6 N 2.59 4.91 0.46 3.32 1.04 -1.26 -5.00 113.70 119.76 3duk s SER 6 Ca 0.67 -0.38 0.21 0.00 0.48 0.00 0.00 55.95 56.93 3duk s SER 6 Cb -0.31 -1.09 1.14 0.00 0.10 0.00 0.00 66.02 65.87 3duk s SER 6 CO 0.26 0.07 1.98 0.58 0.98 0.00 0.00 173.24 177.10 3duk h VAL 7 N 2.25 0.85 0.18 5.02 2.07 -1.99 -2.01 116.25 122.62 3duk h VAL 7 Ca -0.47 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3duk h VAL 7 Cb 1.21 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3duk h VAL 7 CO 0.59 0.20 -0.11 -0.78 0.02 0.00 0.00 177.57 177.48 3duk h ASP 8 N 0.00 -0.29 0.16 0.57 3.58 -1.99 -1.34 116.42 117.11 3duk h ASP 8 Ca -0.00 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 3duk h ASP 8 Cb 0.44 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3duk h ASP 8 CO 0.03 -0.19 -0.48 0.44 -2.88 0.00 0.00 179.24 176.17 3duk h ASP 9 N -0.29 0.40 -0.52 2.28 3.32 -1.89 -1.17 116.42 118.55 3duk h ASP 9 Ca -0.01 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.86 3duk h ASP 9 Cb 0.24 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3duk h ASP 9 CO 0.01 0.82 0.33 0.40 -1.72 0.00 0.00 179.24 179.08 3duk h ILE 10 N 0.30 1.09 -0.20 0.35 2.04 -1.27 -1.76 117.51 118.06 3duk h ILE 10 Ca 0.02 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 3duk h ILE 10 Cb 0.95 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3duk h ILE 10 CO 0.08 0.12 -0.41 0.44 0.00 0.00 0.00 178.15 178.39 3duk h ASP 11 N 0.67 0.48 -0.44 1.72 3.32 -0.76 -0.38 116.42 121.02 3duk h ASP 11 Ca 0.20 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3duk h ASP 11 Cb -0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3duk h ASP 11 CO -0.07 0.83 -0.07 1.23 -1.72 0.00 0.00 179.24 179.45 3duk h GLY 12 N 1.12 0.89 0.90 2.75 0.00 -0.98 -0.71 103.07 107.05 3duk h GLY 12 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 3duk h GLY 12 CO 0.07 0.65 -0.24 -2.22 0.00 0.00 0.00 176.54 174.80 3duk h ILE 13 N 0.66 1.31 -0.98 2.60 2.04 -1.22 -2.76 117.51 119.16 3duk h ILE 13 Ca 0.12 -1.40 0.08 0.00 1.00 0.00 0.00 64.86 64.66 3duk h ILE 13 Cb 0.59 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 3duk h ILE 13 CO 0.04 0.44 0.63 0.74 0.00 0.00 0.00 178.15 179.99 3duk h THR 14 N 0.31 1.03 -0.16 -0.27 2.02 -0.97 -1.24 112.91 113.62 3duk h THR 14 Ca 0.04 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3duk h THR 14 Cb 0.79 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3duk h THR 14 CO 0.06 0.20 -0.01 -0.08 0.37 0.00 0.00 175.52 176.06 3duk h GLU 15 N 1.08 0.29 -0.40 6.66 4.81 -0.98 0.71 114.58 126.76 3duk h GLU 15 Ca 0.44 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 3duk h GLU 15 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3duk h GLU 15 CO -0.19 0.52 -0.21 -0.24 -0.73 0.00 0.00 179.01 178.16 3duk h VAL 16 N 0.03 1.27 -0.52 0.32 3.04 -1.30 -1.77 116.25 117.33 3duk h VAL 16 Ca 0.05 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.38 3duk h VAL 16 Cb 0.39 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 3duk h VAL 16 CO 0.01 0.44 0.19 -0.07 -1.01 0.00 0.00 177.57 177.13 3duk h LEU 17 N 0.70 0.69 -0.97 3.16 3.38 -1.00 -1.64 115.31 119.62 3duk h LEU 17 Ca 0.10 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3duk h LEU 17 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3duk h LEU 17 CO 0.06 0.64 -0.29 0.78 0.09 0.00 0.00 178.44 179.72 3duk h ASN 18 N 0.74 0.40 -0.95 -0.43 2.35 -0.45 -2.60 115.58 114.65 3duk h ASN 18 Ca 0.18 -0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3duk h ASN 18 Cb 0.18 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3duk h ASN 18 CO -0.01 0.68 0.63 0.58 -1.65 0.00 0.00 177.43 177.65 3duk h VAL 19 N 0.35 1.19 0.00 2.81 2.07 -0.43 0.46 116.25 122.71 3duk h VAL 19 Ca 0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3duk h VAL 19 Cb 0.69 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3duk h VAL 19 CO 0.05 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3duk n TYR 20 N -4.42 0.00 0.00 1.57 9.36 -0.98 -2.49 117.16 120.20 3duk n TYR 20 Ca 0.12 -0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3duk n TYR 20 Cb 0.07 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 3duk n TYR 20 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3duk n ASN 22 N 0.34 0.00 0.07 2.98 3.02 0.15 -1.18 115.26 120.64 3duk n ASN 22 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3duk n ASN 22 Cb 0.28 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3duk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3duk h ALA 23 N 0.00 0.47 -0.40 5.41 0.00 -1.71 -1.75 119.26 121.27 3duk h ALA 23 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 54.00 3duk h ALA 23 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3duk h ALA 23 CO 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 179.25 180.38 3duk h ALA 24 N 1.07 1.19 0.10 0.00 0.00 -1.43 -0.68 119.26 119.52 3duk h ALA 24 Ca -0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 3duk h ALA 24 Cb 1.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3duk h ALA 24 CO 0.12 0.53 -1.57 1.49 0.00 0.00 0.00 179.25 179.82 3duk h GLU 25 N 0.62 0.22 0.00 0.00 4.81 -1.74 -0.70 114.58 117.79 3duk h GLU 25 Ca 0.12 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3duk h GLU 25 Cb 0.44 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3duk h GLU 25 CO 0.02 1.06 0.00 0.43 -0.73 0.00 0.00 179.01 179.79 3duk n SER 26 N -3.41 0.00 -3.68 1.04 7.64 -0.66 -3.36 113.62 111.19 3duk n SER 26 Ca -0.17 -0.57 -0.19 0.00 1.01 0.00 0.00 58.87 58.95 3duk n SER 26 Cb 1.04 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 3duk n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3duk n GLY 27 N 0.00 3.53 4.01 0.23 0.00 -0.27 -4.97 105.19 107.72 3duk n GLY 27 Ca 0.00 -2.29 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 3duk n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3duk s THR 28 N -2.00 2.09 0.06 2.61 -4.23 -1.26 -4.50 115.64 108.42 3duk s THR 28 Ca 0.06 -1.10 0.30 0.00 -1.18 0.00 0.00 61.69 59.77 3duk s THR 28 Cb -0.00 -2.19 0.35 0.00 1.34 0.00 0.00 72.50 71.99 3duk s THR 28 CO 0.04 0.00 1.91 1.23 -0.54 0.00 0.00 174.62 177.25 3duk h GLY 29 N 0.32 0.00 1.64 3.99 0.00 -1.85 -2.88 103.07 104.28 3duk h GLY 29 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.75 3duk h GLY 29 CO 0.44 0.00 -1.18 0.83 0.00 0.00 0.00 176.54 176.63 3duk h GLU 30 N 0.00 0.28 -1.49 4.80 3.07 -1.95 -2.66 114.58 116.62 3duk h GLU 30 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3duk h GLU 30 Cb 0.62 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3duk h GLU 30 CO 0.01 1.19 0.00 0.39 -1.40 0.00 0.00 179.01 179.19 3duk n GLU 31 N -3.56 0.73 0.00 2.33 1.02 -1.09 -3.92 120.64 116.16 3duk n GLU 31 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3duk n GLU 31 Cb 0.99 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3duk n GLU 31 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3duk n SER 33 N 0.94 0.00 0.16 1.62 3.41 -1.00 -4.48 113.62 114.26 3duk n SER 33 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3duk n SER 33 Cb 0.37 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.77 3duk n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duk h ALA 34 N 0.00 1.00 -0.01 7.33 0.00 -1.88 -2.81 119.26 122.89 3duk h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3duk h ALA 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3duk h ALA 34 CO 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.03 3duk n ALA 35 N -1.88 3.00 -2.47 0.00 0.00 -1.26 -4.95 120.51 112.95 3duk n ALA 35 Ca 0.03 -0.47 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 3duk n ALA 35 Cb 0.35 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 3duk n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3duk s PHE 36 N -2.34 2.45 0.54 0.00 0.08 -1.06 -1.25 117.98 116.39 3duk s PHE 36 Ca 0.27 -0.30 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 3duk s PHE 36 Cb 0.20 -1.25 -0.06 0.00 -0.57 0.00 0.00 43.02 41.33 3duk s PHE 36 CO 0.47 0.44 1.12 -1.58 -0.10 0.00 0.00 175.22 175.57 3duk s HIS 37 N -1.42 2.70 0.59 0.36 5.65 0.11 -4.83 115.29 118.45 3duk s HIS 37 Ca 0.20 1.55 0.29 0.00 0.25 0.00 0.00 55.06 57.34 3duk s HIS 37 Cb -0.09 -3.26 1.78 0.00 -1.18 0.00 0.00 32.58 29.82 3duk s HIS 37 CO 0.10 -1.50 2.24 1.57 -0.65 0.00 0.00 174.74 176.51 3duk h LYS 38 N 1.20 0.00 -0.46 2.88 2.10 -1.92 -1.36 116.57 119.02 3duk h LYS 38 Ca -0.50 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.89 3duk h LYS 38 Cb 1.26 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.43 3duk h LYS 38 CO 0.57 0.00 -0.08 -0.25 -2.00 0.00 0.00 179.45 177.69 3duk n ASP 39 N -3.90 3.08 -4.70 7.07 8.00 -1.26 -5.03 116.55 119.81 3duk n ASP 39 Ca -0.03 -3.79 -0.30 0.00 0.71 0.00 0.00 54.79 51.38 3duk n ASP 39 Cb 0.09 -0.64 0.14 0.00 -0.02 0.00 0.00 41.12 40.70 3duk n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3duk s ALA 40 N -3.34 1.51 0.23 2.24 0.00 -0.51 -5.00 121.76 116.89 3duk s ALA 40 Ca 0.47 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3duk s ALA 40 Cb 0.42 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 3duk s ALA 40 CO 0.00 -2.42 0.02 0.95 0.00 0.00 0.00 175.76 174.31 3duk s THR 41 N -2.83 0.89 -0.17 0.00 -4.23 -0.63 -3.47 115.64 105.20 3duk s THR 41 Ca 0.64 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 3duk s THR 41 Cb -0.19 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.34 3duk s THR 41 CO 0.58 -0.29 0.43 -0.51 -0.54 0.00 0.00 174.62 174.29 3duk s ILE 42 N -3.52 -0.01 0.01 2.99 2.07 -0.15 -1.84 121.20 120.75 3duk s ILE 42 Ca 0.29 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.62 3duk s ILE 42 Cb 0.06 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 42.02 3duk s ILE 42 CO 0.09 0.02 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.65 3duk s PHE 43 N 0.89 1.11 0.00 3.50 0.40 -0.73 -1.38 117.98 121.77 3duk s PHE 43 Ca -0.05 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3duk s PHE 43 Cb -0.06 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3duk s PHE 43 CO -0.07 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.26 3duk n GLY 44 N 2.46 1.44 3.80 4.36 0.00 -0.87 -2.46 105.19 113.92 3duk n GLY 44 Ca -0.15 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3duk n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3duk s TYR 45 N -1.39 3.70 -0.53 1.61 2.02 -1.26 -2.36 117.35 119.14 3duk s TYR 45 Ca 0.00 1.05 -0.04 0.00 -0.37 0.00 0.00 57.07 57.72 3duk s TYR 45 Cb 0.00 -2.42 0.14 0.00 -0.40 0.00 0.00 41.96 39.28 3duk s TYR 45 CO 0.00 0.51 0.35 0.08 -1.57 0.00 0.00 175.55 174.92 3duk s VAL 46 N -0.67 3.67 0.00 0.71 1.01 -0.22 -4.51 120.40 120.39 3duk s VAL 46 Ca 0.26 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.77 3duk s VAL 46 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3duk s VAL 46 CO 0.14 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.05 3duk n GLY 47 N 4.09 0.67 1.09 4.51 0.00 -1.26 -3.03 105.19 111.26 3duk n GLY 47 Ca 0.02 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.45 3duk n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3duk n ASP 48 N 7.22 4.16 -4.70 1.61 5.75 -1.26 -4.93 116.55 124.40 3duk n ASP 48 Ca 0.00 -2.85 -0.35 0.00 -0.01 0.00 0.00 54.79 51.58 3duk n ASP 48 Cb 0.00 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.47 3duk n ASP 48 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3duk s LYS 49 N -2.54 3.58 -1.28 0.11 2.20 -1.17 -5.03 119.74 115.60 3duk s LYS 49 Ca 0.43 -0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.57 3duk s LYS 49 Cb 0.33 -3.09 0.11 0.00 -1.51 0.00 0.00 37.83 33.67 3duk s LYS 49 CO 0.12 0.51 1.69 -0.11 -0.36 0.00 0.00 175.35 177.20 3duk n LEU 50 N 2.78 5.36 0.13 5.43 7.94 -1.26 -1.06 117.00 136.32 3duk n LEU 50 Ca -0.18 -4.19 0.05 0.00 -1.11 0.00 0.00 56.01 50.58 3duk n LEU 50 Cb 0.53 -1.67 0.51 0.00 0.53 0.00 0.00 43.42 43.31 3duk n LEU 50 CO 0.32 0.54 1.07 0.00 -1.11 0.00 0.00 177.39 178.21 3duk h ALA 51 N 7.12 1.79 -3.14 1.96 0.00 -1.84 -3.38 119.26 121.77 3duk h ALA 51 Ca 0.41 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.60 3duk h ALA 51 Cb 0.83 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.21 3duk h ALA 51 CO 1.44 0.18 -0.81 -0.06 0.00 0.00 0.00 179.25 180.00 3duk s PHE 52 N -5.16 2.90 -0.24 0.00 0.40 -1.00 -5.01 117.98 109.88 3duk s PHE 52 Ca -0.06 -1.54 0.18 0.00 -0.60 0.00 0.00 56.93 54.90 3duk s PHE 52 Cb 0.17 -1.98 0.48 0.00 0.51 0.00 0.00 43.02 42.20 3duk s PHE 52 CO 0.71 -0.75 1.15 0.27 0.70 0.00 0.00 175.22 177.29 3duk n ASN 53 N 4.65 2.54 0.00 1.36 6.94 -1.23 -2.06 115.26 127.46 3duk n ASN 53 Ca -0.19 -2.64 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 3duk n ASN 53 Cb 0.49 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3duk n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3duk n GLY 54 N -0.56 1.60 3.69 4.83 0.00 -0.48 -5.01 105.19 109.26 3duk n GLY 54 Ca 0.19 -0.40 -0.52 0.00 0.00 0.00 0.00 46.02 45.29 3duk n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3duk n PRO 55 N 0.00 1.80 0.08 1.61 -0.02 -1.26 -0.97 135.00 136.24 3duk n PRO 55 Ca 0.00 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 3duk n PRO 55 Cb 0.00 -2.46 0.42 0.00 -0.02 0.00 0.00 33.50 31.43 3duk n PRO 55 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3duk n ILE 56 N 5.06 0.94 0.29 4.25 0.13 -1.23 -2.21 119.36 126.59 3duk n ILE 56 Ca 0.25 0.27 0.16 0.00 -1.10 0.00 0.00 62.75 62.33 3duk n ILE 56 Cb 0.24 -1.15 0.84 0.00 -0.84 0.00 0.00 39.64 38.73 3duk n ILE 56 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 3duk h LYS 57 N 0.00 0.00 0.00 9.51 6.56 -1.88 -2.23 116.57 128.53 3duk h LYS 57 Ca 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 3duk h LYS 57 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 3duk h LYS 57 CO 0.00 0.06 -0.37 -0.44 -2.06 0.00 0.00 179.45 176.64 3duk h ASP 58 N 0.00 0.00 -0.04 0.86 3.32 -1.83 -2.30 116.42 116.44 3duk h ASP 58 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3duk h ASP 58 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.87 3duk h ASP 58 CO 0.01 0.37 -0.79 0.25 -1.72 0.00 0.00 179.24 177.36 3duk h LEU 59 N 0.00 0.76 -0.31 1.55 5.85 -1.59 -2.26 115.31 119.32 3duk h LEU 59 Ca -0.00 -0.71 -0.08 0.00 0.84 0.00 0.00 57.88 57.92 3duk h LEU 59 Cb 1.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3duk h LEU 59 CO 0.05 1.37 -0.12 1.88 -0.34 0.00 0.00 178.44 181.28 3duk h TYR 60 N 0.23 0.72 -0.50 1.25 0.05 -1.50 -1.18 116.97 116.03 3duk h TYR 60 Ca -0.09 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 3duk h TYR 60 Cb 1.45 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 3duk h TYR 60 CO 0.12 0.84 0.09 -0.44 -1.05 0.00 0.00 178.16 177.71 3duk h ASP 61 N 0.39 0.72 -0.32 3.88 3.32 -1.50 -2.05 116.42 120.86 3duk h ASP 61 Ca 0.07 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3duk h ASP 61 Cb 0.63 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3duk h ASP 61 CO 0.04 0.74 -0.25 -0.25 -1.72 0.00 0.00 179.24 177.80 3duk h TRP 62 N 0.74 0.87 0.00 4.55 7.01 -1.29 -2.67 115.95 125.16 3duk h TRP 62 Ca 0.16 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 60.89 3duk h TRP 62 Cb 0.33 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3duk h TRP 62 CO 0.02 0.99 -0.15 1.25 -2.79 0.00 0.00 178.44 177.75 3duk h HIS 63 N 0.50 0.00 0.11 2.65 2.76 -0.96 -0.21 115.15 120.00 3duk h HIS 63 Ca 0.06 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.96 3duk h HIS 63 Cb 0.81 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.78 3duk h HIS 63 CO 0.07 0.15 -1.18 -0.91 -1.30 0.00 0.00 177.93 174.75 3duk h ASN 64 N 0.00 0.53 -0.00 3.26 2.35 -1.25 -1.76 115.58 118.70 3duk h ASN 64 Ca -0.00 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.22 3duk h ASN 64 Cb 0.42 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3duk h ASN 64 CO 0.02 1.37 -0.04 0.28 -1.65 0.00 0.00 177.43 177.42 3duk h SER 65 N 0.14 0.03 0.18 5.81 0.02 -1.10 -3.31 113.55 115.32 3duk h SER 65 Ca -0.13 -0.77 -0.09 0.00 -0.84 0.00 0.00 61.79 59.96 3duk h SER 65 Cb 1.88 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 3duk h SER 65 CO 0.20 0.80 -0.31 -1.13 -1.14 0.00 0.00 176.83 175.25 3duk h ASN 66 N -0.73 0.22 -4.37 3.07 -0.00 -1.18 -3.49 115.58 109.09 3duk h ASN 66 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 3duk h ASN 66 Cb 0.80 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 3duk h ASN 66 CO 0.01 0.53 0.00 0.61 -0.00 0.00 0.00 177.43 178.58 3duk n GLY 67 N -0.44 -0.72 3.76 1.57 0.00 -0.66 -4.94 105.19 103.76 3duk n GLY 67 Ca -0.01 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3duk n GLY 67 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3duk s PRO 68 N -1.99 4.17 -1.12 1.61 0.02 -1.26 -4.89 135.00 131.54 3duk s PRO 68 Ca 0.00 2.49 -0.13 0.00 0.02 0.00 0.00 61.00 63.38 3duk s PRO 68 Cb 0.00 -3.03 0.19 0.00 0.02 0.00 0.00 34.50 31.69 3duk s PRO 68 CO 0.00 -0.52 1.27 0.00 -0.33 0.00 0.00 177.00 177.41 3duk s ALA 69 N -0.44 4.09 0.54 -1.55 0.00 -0.27 -4.87 121.76 119.25 3duk s ALA 69 Ca 0.58 -3.38 0.23 0.00 0.00 0.00 0.00 51.96 49.39 3duk s ALA 69 Cb -0.46 -3.94 1.40 0.00 0.00 0.00 0.00 23.12 20.13 3duk s ALA 69 CO 0.52 -2.64 2.05 0.87 0.00 0.00 0.00 175.76 176.57 3duk h LYS 70 N 7.34 0.00 -0.36 0.00 6.56 -1.83 -1.76 116.57 126.52 3duk h LYS 70 Ca 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3duk h LYS 70 Cb 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 3duk h LYS 70 CO 1.14 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 178.62 3duk n ASN 71 N -4.33 3.34 -4.76 0.86 5.03 -1.26 -4.99 115.26 109.16 3duk n ASN 71 Ca 0.05 -1.96 -0.38 0.00 0.87 0.00 0.00 54.58 53.16 3duk n ASN 71 Cb 0.43 -0.23 0.03 0.00 -1.02 0.00 0.00 39.78 38.99 3duk n ASN 71 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3duk s VAL 72 N -1.43 2.39 -0.20 2.41 0.11 -0.66 -4.75 120.40 118.27 3duk s VAL 72 Ca 0.36 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 3duk s VAL 72 Cb 0.21 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 31.97 3duk s VAL 72 CO 0.30 -0.01 -0.07 -1.10 -3.33 0.00 0.00 175.10 170.89 3duk s GLN 73 N -2.88 1.67 -0.05 1.54 -1.52 0.34 -4.96 119.66 113.81 3duk s GLN 73 Ca 0.70 -0.78 0.06 0.00 -1.95 0.00 0.00 55.36 53.38 3duk s GLN 73 Cb -0.37 -2.34 -0.02 0.00 -0.22 0.00 0.00 33.01 30.06 3duk s GLN 73 CO 0.43 -0.49 -0.21 -1.12 -0.25 0.00 0.00 175.29 173.65 3duk s SER 74 N 1.48 3.47 -0.02 5.90 0.01 -1.26 -1.00 113.70 122.28 3duk s SER 74 Ca -0.02 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.88 3duk s SER 74 Cb -0.17 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.37 3duk s SER 74 CO -0.07 0.30 -0.04 -0.13 0.41 0.00 0.00 173.24 173.71 3duk s ARG 75 N -0.51 0.53 0.23 12.44 1.81 -0.16 -4.97 118.95 128.32 3duk s ARG 75 Ca 0.07 -0.10 -0.30 0.00 -1.72 0.00 0.00 55.73 53.68 3duk s ARG 75 Cb -0.11 -0.57 -0.09 0.00 -0.45 0.00 0.00 34.95 33.74 3duk s ARG 75 CO 0.01 -0.01 1.03 0.42 -0.68 0.00 0.00 175.30 176.07 3duk s ILE 76 N 0.49 3.86 0.00 1.52 1.01 -1.26 -0.85 121.20 125.97 3duk s ILE 76 Ca -0.06 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.37 3duk s ILE 76 Cb -0.09 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3duk s ILE 76 CO -0.00 0.38 0.13 0.35 0.00 0.00 0.00 174.94 175.80 3duk n THR 77 N 1.71 0.00 -3.64 2.92 -2.24 -0.48 -4.95 114.28 107.61 3duk n THR 77 Ca -0.00 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.40 3duk n THR 77 Cb 0.46 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 3duk n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3duk s ASN 78 N -0.36 -0.81 -0.25 3.42 2.47 -1.24 -4.92 114.94 113.25 3duk s ASN 78 Ca 0.00 1.33 -0.02 0.00 0.42 0.00 0.00 52.86 54.59 3duk s ASN 78 Cb 0.00 1.34 0.08 0.00 -1.45 0.00 0.00 41.25 41.21 3duk s ASN 78 CO 0.00 -0.21 0.05 -0.63 -3.72 0.00 0.00 177.10 172.58 3duk s ILE 79 N 1.39 0.80 -0.40 -5.21 1.01 -1.26 -1.69 121.20 115.84 3duk s ILE 79 Ca -0.08 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3duk s ILE 79 Cb -0.05 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 41.12 3duk s ILE 79 CO -0.16 -0.38 0.22 -0.62 0.00 0.00 0.00 174.94 174.00 3duk s ASP 80 N 1.70 5.46 -0.10 3.58 2.15 0.19 -4.98 116.67 124.66 3duk s ASP 80 Ca 0.02 -1.61 -0.03 0.00 0.43 0.00 0.00 52.55 51.37 3duk s ASP 80 Cb -0.17 -1.92 -0.03 0.00 -0.30 0.00 0.00 42.92 40.50 3duk s ASP 80 CO -0.15 -0.51 0.01 -0.63 -0.17 0.00 0.00 175.17 173.72 3duk s ILE 81 N 1.34 4.35 -0.32 4.11 1.01 -1.26 -0.99 121.20 129.43 3duk s ILE 81 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 3duk s ILE 81 Cb -0.23 -2.85 0.13 0.00 0.01 0.00 0.00 42.46 39.53 3duk s ILE 81 CO 0.00 0.58 0.26 0.54 0.00 0.00 0.00 174.94 176.32 3duk s VAL 82 N -0.62 -0.21 0.00 2.92 0.11 -0.69 -4.83 120.40 117.09 3duk s VAL 82 Ca 0.10 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 3duk s VAL 82 Cb -0.12 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3duk s VAL 82 CO 0.02 -0.66 0.00 0.61 -3.33 0.00 0.00 175.10 171.74 3duk n GLY 83 N 4.77 0.85 0.41 6.54 0.00 -1.26 -2.70 105.19 113.80 3duk n GLY 83 Ca 0.03 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.58 3duk n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3duk n THR 84 N 0.00 0.00 -4.37 2.61 -2.24 -1.26 -4.90 114.28 104.11 3duk n THR 84 Ca 0.00 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 3duk n THR 84 Cb 0.00 1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 3duk n THR 84 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3duk s VAL 85 N -2.26 0.86 0.08 2.28 -7.23 -1.10 -0.07 120.40 112.96 3duk s VAL 85 Ca 0.16 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.06 3duk s VAL 85 Cb 0.16 -2.67 0.08 0.00 0.56 0.00 0.00 36.38 34.51 3duk s VAL 85 CO 0.52 -0.03 0.83 0.00 -0.31 0.00 0.00 175.10 176.10 3duk s ALA 86 N -3.53 -1.71 0.06 1.32 0.00 -0.39 -1.70 121.76 115.82 3duk s ALA 86 Ca 0.36 0.66 0.09 0.00 0.00 0.00 0.00 51.96 53.07 3duk s ALA 86 Cb 0.08 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3duk s ALA 86 CO 0.14 -0.79 -0.25 -1.58 0.00 0.00 0.00 175.76 173.28 3duk s HIS 87 N -3.34 2.16 0.02 0.00 5.65 -0.16 -0.89 115.29 118.73 3duk s HIS 87 Ca 0.06 -0.40 -0.02 0.00 0.25 0.00 0.00 55.06 54.95 3duk s HIS 87 Cb -0.01 -1.26 -0.02 0.00 -1.18 0.00 0.00 32.58 30.11 3duk s HIS 87 CO -0.07 0.16 0.01 0.00 -0.65 0.00 0.00 174.74 174.19 3duk s ALA 88 N -0.87 0.03 -0.01 1.58 0.00 -0.90 -0.64 121.76 120.94 3duk s ALA 88 Ca 0.11 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.62 3duk s ALA 88 Cb -0.10 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3duk s ALA 88 CO 0.03 -0.18 -0.19 0.50 0.00 0.00 0.00 175.76 175.92 3duk s ARG 89 N -1.52 1.49 -0.02 0.00 3.52 -0.68 -0.64 118.95 121.10 3duk s ARG 89 Ca -0.15 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3duk s ARG 89 Cb -0.09 -1.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 3duk s ARG 89 CO -0.01 0.40 -0.09 0.08 -0.81 0.00 0.00 175.30 174.87 3duk s VAL 90 N -0.45 0.74 -0.15 7.11 1.01 -0.30 -1.38 120.40 126.99 3duk s VAL 90 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3duk s VAL 90 Cb -0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 3duk s VAL 90 CO -0.01 0.23 -0.09 -1.61 0.00 0.00 0.00 175.10 173.63 3duk s GLU 91 N 0.16 3.49 -0.01 2.72 0.41 -0.03 -0.67 118.70 124.77 3duk s GLU 91 Ca -0.02 -0.62 0.08 0.00 -0.41 0.00 0.00 54.97 54.00 3duk s GLU 91 Cb -0.08 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.47 3duk s GLU 91 CO 0.00 0.17 -0.25 0.00 -0.49 0.00 0.00 175.26 174.69 3duk s ALA 92 N 0.50 2.21 0.00 5.21 0.00 -0.55 -0.98 121.76 128.15 3duk s ALA 92 Ca -0.06 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3duk s ALA 92 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3duk s ALA 92 CO 0.04 0.53 -0.13 -1.21 0.00 0.00 0.00 175.76 174.99 3duk s GLU 93 N -0.74 0.99 -1.38 0.00 2.02 -0.17 -1.15 118.70 118.26 3duk s GLU 93 Ca 0.10 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.48 3duk s GLU 93 Cb -0.10 -0.96 0.02 0.00 0.10 0.00 0.00 34.13 33.19 3duk s GLU 93 CO -0.00 0.26 1.12 -1.71 0.02 0.00 0.00 175.26 174.94 3duk n ASN 94 N 2.54 -5.55 -4.57 -0.19 2.85 -0.78 -0.50 115.26 109.06 3duk n ASN 94 Ca -0.15 -0.60 -0.39 0.00 -0.11 0.00 0.00 54.58 53.33 3duk n ASN 94 Cb 0.55 -4.80 -0.03 0.00 1.24 0.00 0.00 39.78 36.74 3duk n ASN 94 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 3duk s TRP 95 N -3.33 2.49 -1.35 1.20 -0.11 -0.43 -2.39 118.94 115.02 3duk s TRP 95 Ca 0.53 -0.83 -0.05 0.00 1.22 0.00 0.00 56.10 56.97 3duk s TRP 95 Cb -0.24 -4.60 -0.00 0.00 -1.50 0.00 0.00 33.47 27.13 3duk s TRP 95 CO 0.75 -1.83 0.50 0.25 -4.62 0.00 0.00 176.95 171.99 3duk n THR 96 N 6.91 -3.59 -0.95 5.86 -2.24 -1.26 -1.57 114.28 117.43 3duk n THR 96 Ca 0.39 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3duk n THR 96 Cb 0.49 -2.97 0.00 0.00 -2.10 0.00 0.00 70.33 65.75 3duk n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3duk n ASN 97 N -2.90 -3.31 -4.82 3.42 5.15 -1.25 -5.01 115.26 106.54 3duk n ASN 97 Ca -0.27 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.38 3duk n ASN 97 Cb 0.67 -1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 3duk n ASN 97 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3duk s PHE 98 N -1.84 3.37 -0.21 1.20 0.08 -0.61 -4.72 117.98 115.25 3duk s PHE 98 Ca 0.00 0.27 -0.04 0.00 0.12 0.00 0.00 56.93 57.28 3duk s PHE 98 Cb 0.00 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3duk s PHE 98 CO 0.00 0.59 -0.03 0.21 -0.10 0.00 0.00 175.22 175.88 3duk s LYS 99 N -1.71 3.46 0.02 0.44 2.20 -1.26 -1.32 119.74 121.56 3duk s LYS 99 Ca 0.23 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.33 3duk s LYS 99 Cb -0.12 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3duk s LYS 99 CO 0.14 -0.10 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.72 3duk s PHE 100 N 1.26 2.23 -0.24 4.03 0.08 -0.30 -1.94 117.98 123.09 3duk s PHE 100 Ca 0.03 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.62 3duk s PHE 100 Cb -0.14 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 3duk s PHE 100 CO -0.01 0.05 0.00 -1.12 -0.10 0.00 0.00 175.22 174.04 3duk s SER 101 N -0.93 4.63 -0.16 1.36 0.01 -0.63 -1.48 113.70 116.50 3duk s SER 101 Ca 0.10 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 3duk s SER 101 Cb -0.10 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 3duk s SER 101 CO 0.01 -0.06 -0.02 -1.81 0.41 0.00 0.00 173.24 171.77 3duk s ASP 102 N 1.51 4.90 -0.10 2.44 1.01 0.15 -1.16 116.67 125.42 3duk s ASP 102 Ca 0.05 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.21 3duk s ASP 102 Cb -0.15 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3duk s ASP 102 CO -0.01 0.16 -0.15 -0.76 0.21 0.00 0.00 175.17 174.62 3duk s LEU 103 N 0.44 2.66 0.10 1.23 1.43 -0.01 -1.14 118.68 123.39 3duk s LEU 103 Ca -0.03 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3duk s LEU 103 Cb -0.14 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3duk s LEU 103 CO 0.02 0.23 -0.20 -0.36 0.23 0.00 0.00 176.35 176.28 3duk s PHE 104 N -0.07 1.74 -0.07 0.29 0.08 0.19 -1.32 117.98 118.82 3duk s PHE 104 Ca -0.03 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.65 3duk s PHE 104 Cb -0.14 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 3duk s PHE 104 CO 0.04 0.20 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.60 3duk s LEU 105 N -1.92 2.12 0.06 -0.37 1.43 -0.64 -2.12 118.68 117.23 3duk s LEU 105 Ca 0.06 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3duk s LEU 105 Cb -0.10 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3duk s LEU 105 CO 0.04 0.23 -0.21 -0.76 0.23 0.00 0.00 176.35 175.89 3duk s LEU 106 N -0.10 2.20 -0.01 1.79 1.02 -0.07 -1.49 118.68 122.02 3duk s LEU 106 Ca -0.05 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.59 3duk s LEU 106 Cb -0.14 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.09 3duk s LEU 106 CO 0.04 0.13 -0.17 -0.22 0.02 0.00 0.00 176.35 176.15 3duk s LEU 107 N -1.37 2.59 -1.09 1.79 2.96 -0.32 -1.26 118.68 121.97 3duk s LEU 107 Ca 0.07 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 3duk s LEU 107 Cb -0.09 -1.51 0.16 0.00 0.50 0.00 0.00 46.19 45.24 3duk s LEU 107 CO 0.02 0.31 1.31 -0.75 -1.32 0.00 0.00 176.35 175.92 3duk s LYS 108 N -0.99 3.89 -0.58 1.98 2.20 0.90 -0.99 119.74 126.15 3duk s LYS 108 Ca 0.13 -2.26 -0.27 0.00 -0.36 0.00 0.00 55.97 53.21 3duk s LYS 108 Cb -0.10 -5.00 0.03 0.00 -1.51 0.00 0.00 37.83 31.25 3duk s LYS 108 CO 0.02 -1.76 1.11 -1.17 -0.36 0.00 0.00 175.35 173.19 3duk s LEU 109 N 2.00 3.67 -1.25 5.43 2.96 -0.19 -3.86 118.68 127.43 3duk s LEU 109 Ca 0.38 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3duk s LEU 109 Cb -0.04 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.65 3duk s LEU 109 CO -0.04 -1.42 0.95 0.47 -1.32 0.00 0.00 176.35 174.99 3duk n ASP 110 N 8.16 -2.35 0.00 3.68 8.00 -1.26 -2.36 116.55 130.42 3duk n ASP 110 Ca 0.06 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.89 3duk n ASP 110 Cb 0.48 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 3duk n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3duk n GLY 111 N -1.34 2.92 3.31 0.44 0.00 -1.25 -4.97 105.19 104.30 3duk n GLY 111 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3duk n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3duk s LYS 112 N 0.00 3.33 0.40 1.61 0.00 -0.99 -5.05 119.74 119.04 3duk s LYS 112 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 55.97 55.04 3duk s LYS 112 Cb 0.00 -2.81 -0.08 0.00 0.00 0.00 0.00 37.83 34.93 3duk s LYS 112 CO 0.00 -0.04 1.21 -1.58 0.00 0.00 0.00 175.35 174.94 3duk s TRP 113 N 1.03 2.98 -0.13 1.78 0.52 -1.26 -1.03 118.94 122.83 3duk s TRP 113 Ca -0.00 1.51 -0.19 0.00 0.02 0.00 0.00 56.10 57.43 3duk s TRP 113 Cb -0.15 -3.49 0.05 0.00 -1.15 0.00 0.00 33.47 28.74 3duk s TRP 113 CO -0.01 -1.58 0.49 -0.08 0.02 0.00 0.00 176.95 175.79 3duk s THR 114 N -1.36 0.01 -0.10 2.01 -1.32 -0.16 -4.88 115.64 109.84 3duk s THR 114 Ca 0.57 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.65 3duk s THR 114 Cb -0.33 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 3duk s THR 114 CO 0.42 -0.06 1.12 -0.63 -2.21 0.00 0.00 174.62 173.27 3duk s ILE 115 N -0.31 4.48 -0.17 5.08 1.01 -0.38 -1.18 121.20 129.73 3duk s ILE 115 Ca -0.05 1.78 0.12 0.00 0.00 0.00 0.00 60.65 62.50 3duk s ILE 115 Cb -0.03 -4.15 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 3duk s ILE 115 CO 0.03 -0.03 0.01 1.33 0.00 0.00 0.00 174.94 176.28 3duk n VAL 116 N 4.75 1.13 -4.16 2.92 0.24 -0.56 -0.71 118.33 121.93 3duk n VAL 116 Ca 0.11 -0.64 -0.16 0.00 -2.04 0.00 0.00 64.34 61.61 3duk n VAL 116 Cb 0.47 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 32.01 3duk n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3duk s ASN 117 N -5.19 1.00 -0.09 -1.34 0.02 -1.04 -1.61 114.94 106.69 3duk s ASN 117 Ca -0.12 -0.39 -0.06 0.00 -1.02 0.00 0.00 52.86 51.27 3duk s ASN 117 Cb 0.05 -0.03 0.03 0.00 0.02 0.00 0.00 41.25 41.33 3duk s ASN 117 CO 0.63 -0.06 0.22 -0.75 0.02 0.00 0.00 177.10 177.15 3duk s LYS 118 N -1.04 0.21 0.12 -0.60 2.20 -0.76 -1.62 119.74 118.24 3duk s LYS 118 Ca -0.03 0.40 0.05 0.00 -0.36 0.00 0.00 55.97 56.03 3duk s LYS 118 Cb -0.07 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 3duk s LYS 118 CO 0.00 -0.10 -0.12 0.14 -0.36 0.00 0.00 175.35 174.92 3duk s VAL 119 N 0.74 1.14 0.05 4.02 -7.23 -0.44 -1.77 120.40 116.92 3duk s VAL 119 Ca -0.05 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 3duk s VAL 119 Cb -0.07 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.34 3duk s VAL 119 CO -0.04 -0.55 0.26 0.72 -0.31 0.00 0.00 175.10 175.17 3duk s PHE 120 N -2.55 -0.02 -0.13 2.82 -0.12 -1.03 -0.83 117.98 116.12 3duk s PHE 120 Ca 0.09 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.79 3duk s PHE 120 Cb -0.02 0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 3duk s PHE 120 CO 0.01 -0.50 -0.18 -1.58 -0.05 0.00 0.00 175.22 172.93 3duk s HIS 121 N -2.82 2.33 -0.16 3.49 2.46 -0.31 -4.43 115.29 115.85 3duk s HIS 121 Ca -0.03 -1.18 -0.27 0.00 0.47 0.00 0.00 55.06 54.05 3duk s HIS 121 Cb 0.00 -1.63 -0.01 0.00 -0.13 0.00 0.00 32.58 30.81 3duk s HIS 121 CO -0.05 -0.58 0.91 -1.17 -2.47 0.00 0.00 174.74 171.38 3duk s LEU 122 N 1.01 4.18 0.35 8.88 2.96 -1.26 -1.60 118.68 133.20 3duk s LEU 122 Ca -0.04 1.30 -0.23 0.00 -0.22 0.00 0.00 54.13 54.93 3duk s LEU 122 Cb -0.15 -3.36 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 3duk s LEU 122 CO -0.04 -0.45 0.91 -1.00 -1.32 0.00 0.00 176.35 174.45 3duk s HIS 123 N 2.24 3.53 -2.00 5.38 3.76 -0.82 -5.02 115.29 122.37 3duk s HIS 123 Ca 0.42 1.64 0.29 0.00 -0.15 0.00 0.00 55.06 57.26 3duk s HIS 123 Cb -0.17 -2.83 1.76 0.00 1.11 0.00 0.00 32.58 32.45 3duk s HIS 123 CO 0.13 0.11 2.09 0.00 -0.85 0.00 0.00 174.74 176.22