#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 1.80 0.00 1.61 0.15 -1.26 -5.25 113.70 110.75 3duk s SER 2 Ca 0.00 -0.75 0.18 0.00 0.70 0.00 0.00 55.95 56.08 3duk s SER 2 Cb 0.00 -0.05 0.37 0.00 -1.71 0.00 0.00 66.02 64.64 3duk s SER 2 CO 0.00 -0.14 1.30 1.33 1.20 0.00 0.00 173.24 176.92 3duk n VAL 3 N 0.77 0.64 -1.67 4.45 0.24 -1.26 -4.57 118.33 116.94 3duk n VAL 3 Ca -0.17 -0.82 -0.48 0.00 -2.04 0.00 0.00 64.34 60.83 3duk n VAL 3 Cb 0.56 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.70 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 1.11 2.09 -2.25 7.34 4.81 -1.26 -4.44 118.16 125.56 3duk n LYS 4 Ca 0.16 0.76 -0.42 0.00 -0.87 0.00 0.00 58.31 57.94 3duk n LYS 4 Cb 0.51 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 32.98 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 2.25 3.74 0.17 3.15 1.01 -1.26 -4.94 120.40 124.51 3duk s VAL 5 Ca 0.85 1.15 0.08 0.00 0.00 0.00 0.00 61.98 64.06 3duk s VAL 5 Cb -0.71 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3duk s VAL 5 CO 0.45 0.01 -0.05 -0.94 0.00 0.00 0.00 175.10 174.57 3duk s SER 6 N 1.73 4.53 0.54 3.32 1.04 -1.26 -5.01 113.70 118.59 3duk s SER 6 Ca 0.63 -0.46 0.32 0.00 0.48 0.00 0.00 55.95 56.92 3duk s SER 6 Cb -0.31 -0.88 1.50 0.00 0.10 0.00 0.00 66.02 66.43 3duk s SER 6 CO 0.27 0.11 2.05 0.58 0.98 0.00 0.00 173.24 177.22 3duk h VAL 7 N 2.68 0.26 -0.20 5.02 2.07 -1.99 -2.15 116.25 121.95 3duk h VAL 7 Ca -0.47 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 3duk h VAL 7 Cb 1.20 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3duk h VAL 7 CO 0.56 0.07 -0.05 -0.78 0.02 0.00 0.00 177.57 177.39 3duk h ASP 8 N 0.00 0.39 -0.31 0.57 3.58 -1.99 -1.78 116.42 116.88 3duk h ASP 8 Ca -0.00 -0.37 -0.13 0.00 0.42 0.00 0.00 57.03 56.95 3duk h ASP 8 Cb 0.41 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3duk h ASP 8 CO 0.01 0.67 -0.28 0.44 -2.88 0.00 0.00 179.24 177.20 3duk h ASP 9 N 0.11 0.85 -0.35 2.28 3.32 -1.92 -0.36 116.42 120.34 3duk h ASP 9 Ca 0.05 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.82 3duk h ASP 9 Cb 0.50 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3duk h ASP 9 CO 0.02 1.07 0.08 0.40 -1.72 0.00 0.00 179.24 179.10 3duk h ILE 10 N 0.70 0.84 -0.16 0.35 2.04 -1.34 -1.01 117.51 118.93 3duk h ILE 10 Ca 0.08 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 3duk h ILE 10 Cb 0.82 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3duk h ILE 10 CO 0.07 0.04 -0.41 0.44 0.00 0.00 0.00 178.15 178.29 3duk h ASP 11 N 0.21 0.38 -0.58 1.72 3.32 -1.13 -0.91 116.42 119.43 3duk h ASP 11 Ca 0.17 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3duk h ASP 11 Cb 0.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3duk h ASP 11 CO -0.21 0.76 0.28 1.23 -1.72 0.00 0.00 179.24 179.58 3duk h GLY 12 N 1.17 0.89 0.70 2.75 0.00 -0.53 -0.25 103.07 107.80 3duk h GLY 12 Ca 0.03 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3duk h GLY 12 CO 0.07 0.42 -0.25 -2.22 0.00 0.00 0.00 176.54 174.56 3duk h ILE 13 N 0.78 1.40 -0.75 2.60 2.04 -1.07 -2.98 117.51 119.53 3duk h ILE 13 Ca 0.20 -1.57 0.15 0.00 1.00 0.00 0.00 64.86 64.63 3duk h ILE 13 Cb 0.12 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3duk h ILE 13 CO -0.02 0.45 0.50 0.74 0.00 0.00 0.00 178.15 179.82 3duk h THR 14 N -0.11 0.79 -0.05 -0.27 2.02 -1.05 -1.00 112.91 113.25 3duk h THR 14 Ca -0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3duk h THR 14 Cb 0.86 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3duk h THR 14 CO 0.05 0.08 -0.02 -0.08 0.37 0.00 0.00 175.52 175.92 3duk h GLU 15 N 0.41 0.11 0.00 6.66 4.81 -0.89 0.20 114.58 125.88 3duk h GLU 15 Ca 0.37 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3duk h GLU 15 Cb 0.85 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3duk h GLU 15 CO -0.12 0.48 -0.52 -0.24 -0.73 0.00 0.00 179.01 177.88 3duk h VAL 16 N -0.27 1.36 -0.40 0.32 3.04 -1.30 -1.80 116.25 117.20 3duk h VAL 16 Ca 0.01 -1.79 -0.13 0.00 -1.01 0.00 0.00 66.70 63.79 3duk h VAL 16 Cb 0.44 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3duk h VAL 16 CO 0.01 0.51 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.75 3duk h LEU 17 N 0.00 0.86 -1.65 3.16 3.38 -1.12 -2.72 115.31 117.22 3duk h LEU 17 Ca -0.01 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3duk h LEU 17 Cb 0.93 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3duk h LEU 17 CO 0.07 1.07 -0.19 0.78 0.09 0.00 0.00 178.44 180.26 3duk h ASN 18 N 0.72 0.00 -0.38 -0.43 2.35 -0.31 -2.03 115.58 115.49 3duk h ASN 18 Ca 0.09 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 3duk h ASN 18 Cb 0.80 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3duk h ASN 18 CO 0.07 0.19 -0.36 0.58 -1.65 0.00 0.00 177.43 176.26 3duk h VAL 19 N 0.00 1.27 0.00 2.81 2.07 -1.08 -1.25 116.25 120.08 3duk h VAL 19 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3duk h VAL 19 Cb 0.35 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3duk h VAL 19 CO 0.02 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.13 3duk n TYR 20 N -4.09 0.00 0.00 1.57 9.36 -0.76 -1.96 117.16 121.27 3duk n TYR 20 Ca -0.02 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3duk n TYR 20 Cb 0.53 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 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 0.30 0.00 0.01 2.98 3.02 -0.47 -1.19 115.26 119.91 3duk n ASN 22 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3duk n ASN 22 Cb 0.14 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.50 -0.37 5.41 0.00 -1.62 -2.23 119.26 120.95 3duk h ALA 23 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.39 3duk h ALA 23 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3duk h ALA 23 CO 0.00 0.72 0.01 0.00 0.00 0.00 0.00 179.25 179.98 3duk h ALA 24 N 0.79 0.34 0.03 0.00 0.00 -1.41 -0.36 119.26 118.65 3duk h ALA 24 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3duk h ALA 24 Cb 1.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3duk h ALA 24 CO 0.13 -0.39 -0.01 1.49 0.00 0.00 0.00 179.25 180.47 3duk h GLU 25 N 0.12 -0.04 -0.02 0.00 4.81 -1.74 -1.54 114.58 116.17 3duk h GLU 25 Ca 0.18 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3duk h GLU 25 Cb 0.24 0.01 -0.38 0.00 0.63 0.00 0.00 28.75 29.25 3duk h GLU 25 CO -0.29 0.56 -1.02 -1.13 -0.73 0.00 0.00 179.01 176.41 3duk n SER 26 N -4.81 0.96 -4.12 1.04 3.41 -0.85 -2.72 113.62 106.53 3duk n SER 26 Ca -0.09 -2.00 -0.21 0.00 -0.26 0.00 0.00 58.87 56.31 3duk n SER 26 Cb 0.31 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 3duk n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3duk s GLY 27 N -2.07 2.20 0.67 5.00 0.00 -0.15 -4.94 107.32 108.04 3duk s GLY 27 Ca 0.32 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3duk s GLY 27 CO -0.16 -1.70 0.93 -0.51 0.00 0.00 0.00 173.10 171.67 3duk s THR 28 N -3.45 2.26 0.06 0.90 -4.23 -1.26 -4.47 115.64 105.45 3duk s THR 28 Ca 0.33 -0.63 0.26 0.00 -1.18 0.00 0.00 61.69 60.47 3duk s THR 28 Cb 0.05 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.53 3duk s THR 28 CO 0.16 0.00 1.82 1.23 -0.54 0.00 0.00 174.62 177.29 3duk h GLY 29 N -0.35 0.00 1.80 3.99 0.00 -1.83 -2.98 103.07 103.70 3duk h GLY 29 Ca -0.37 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 3duk h GLY 29 CO 0.43 0.00 -1.10 0.83 0.00 0.00 0.00 176.54 176.71 3duk h GLU 30 N 0.00 0.15 -1.41 4.80 3.07 -1.94 -2.28 114.58 116.97 3duk h GLU 30 Ca -0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3duk h GLU 30 Cb 0.75 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 3duk h GLU 30 CO 0.02 1.10 0.00 0.39 -1.40 0.00 0.00 179.01 179.12 3duk n GLU 31 N -3.47 0.67 0.00 2.33 1.02 -1.13 -3.92 120.64 116.15 3duk n GLU 31 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3duk n GLU 31 Cb 0.96 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 0.79 0.00 0.00 1.62 3.41 -0.86 -4.53 113.62 114.05 3duk n SER 33 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3duk n SER 33 Cb 0.34 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.83 3duk n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duk n ALA 34 N 0.00 2.12 0.50 7.33 0.00 -1.25 -1.92 120.51 127.30 3duk n ALA 34 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3duk n ALA 34 Cb 0.00 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 18.26 3duk n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duk n ALA 35 N -1.26 2.42 -2.60 0.00 0.00 -1.26 -4.99 120.51 112.83 3duk n ALA 35 Ca 0.11 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.47 3duk n ALA 35 Cb 0.16 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.53 1.51 0.59 0.00 0.40 -0.81 -1.43 117.98 116.72 3duk s PHE 36 Ca 0.31 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.04 3duk s PHE 36 Cb 0.19 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 3duk s PHE 36 CO 0.28 0.11 1.20 -1.58 0.70 0.00 0.00 175.22 175.92 3duk s HIS 37 N -1.06 2.42 0.43 0.36 5.65 0.29 -4.83 115.29 118.55 3duk s HIS 37 Ca 0.03 1.52 0.12 0.00 0.25 0.00 0.00 55.06 56.98 3duk s HIS 37 Cb -0.09 -3.46 0.98 0.00 -1.18 0.00 0.00 32.58 28.83 3duk s HIS 37 CO 0.03 -2.15 2.00 1.57 -0.65 0.00 0.00 174.74 175.53 3duk h LYS 38 N 0.92 0.44 -0.81 2.88 2.10 -1.91 -1.69 116.57 118.49 3duk h LYS 38 Ca -0.50 -0.03 -0.49 0.00 -2.00 0.00 0.00 60.65 57.63 3duk h LYS 38 Cb 1.29 -0.10 -0.27 0.00 -0.90 0.00 0.00 32.23 32.26 3duk h LYS 38 CO 0.55 0.29 0.36 -0.25 -2.00 0.00 0.00 179.45 178.40 3duk n ASP 39 N -4.47 4.75 -4.78 7.07 8.00 -1.26 -4.98 116.55 120.87 3duk n ASP 39 Ca 0.08 -3.73 -0.30 0.00 0.71 0.00 0.00 54.79 51.55 3duk n ASP 39 Cb 0.29 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.49 2.14 0.11 2.24 0.00 -0.64 -4.98 121.76 117.15 3duk s ALA 40 Ca 0.56 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.47 3duk s ALA 40 Cb 0.46 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 3duk s ALA 40 CO 0.04 -1.81 -0.09 0.95 0.00 0.00 0.00 175.76 174.85 3duk s THR 41 N -3.06 0.91 -0.05 0.00 -4.23 -0.69 -3.75 115.64 104.77 3duk s THR 41 Ca 0.61 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3duk s THR 41 Cb -0.15 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.18 3duk s THR 41 CO 0.55 -0.68 0.11 -0.51 -0.54 0.00 0.00 174.62 173.55 3duk s ILE 42 N -2.94 -0.04 0.02 2.99 2.07 -0.45 -1.31 121.20 121.54 3duk s ILE 42 Ca 0.09 0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.54 3duk s ILE 42 Cb 0.00 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.38 3duk s ILE 42 CO -0.01 0.06 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.56 3duk s PHE 43 N 0.95 1.45 0.00 3.50 0.40 -0.73 -1.02 117.98 122.52 3duk s PHE 43 Ca -0.07 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 3duk s PHE 43 Cb -0.10 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.54 3duk s PHE 43 CO -0.04 0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.31 3duk n GLY 44 N 2.25 1.35 3.86 4.36 0.00 -0.73 -2.43 105.19 113.84 3duk n GLY 44 Ca -0.16 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.54 3.64 -0.47 1.61 2.02 -1.26 -2.25 117.35 119.10 3duk s TYR 45 Ca 0.00 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 3duk s TYR 45 Cb 0.00 -2.16 0.12 0.00 -0.40 0.00 0.00 41.96 39.52 3duk s TYR 45 CO 0.00 0.61 0.21 0.08 -1.57 0.00 0.00 175.55 174.88 3duk s VAL 46 N -1.21 2.54 0.00 0.71 1.01 -0.31 -4.52 120.40 118.63 3duk s VAL 46 Ca 0.26 -3.03 0.00 0.00 0.00 0.00 0.00 61.98 59.21 3duk s VAL 46 Cb -0.15 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3duk s VAL 46 CO 0.14 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.11 3duk n GLY 47 N 3.45 0.74 0.77 4.51 0.00 -1.26 -3.21 105.19 110.19 3duk n GLY 47 Ca 0.05 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 7.03 2.43 -4.84 1.61 5.68 -1.26 -4.93 116.55 122.27 3duk n ASP 48 Ca 0.00 -1.80 -0.35 0.00 -0.50 0.00 0.00 54.79 52.14 3duk n ASP 48 Cb 0.00 0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 3duk n ASP 48 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3duk s LYS 49 N -2.01 3.31 -1.28 0.11 0.00 -1.20 -5.02 119.74 113.65 3duk s LYS 49 Ca 0.31 -0.30 -0.11 0.00 0.00 0.00 0.00 55.97 55.88 3duk s LYS 49 Cb 0.20 -3.05 0.15 0.00 0.00 0.00 0.00 37.83 35.14 3duk s LYS 49 CO 0.32 0.71 1.80 -0.11 0.00 0.00 0.00 175.35 178.07 3duk n LEU 50 N 1.52 6.26 0.13 2.77 7.94 -1.26 -1.16 117.00 133.20 3duk n LEU 50 Ca -0.16 -4.52 0.16 0.00 -1.11 0.00 0.00 56.01 50.38 3duk n LEU 50 Cb 0.54 -1.54 0.71 0.00 0.53 0.00 0.00 43.42 43.66 3duk n LEU 50 CO 0.36 1.14 1.14 0.00 -1.11 0.00 0.00 177.39 178.93 3duk h ALA 51 N 6.18 2.17 -3.35 1.96 0.00 -1.85 -3.36 119.26 121.01 3duk h ALA 51 Ca 0.40 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.64 3duk h ALA 51 Cb 0.70 0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.15 3duk h ALA 51 CO 1.55 -0.37 -0.83 -0.06 0.00 0.00 0.00 179.25 179.54 3duk s PHE 52 N -4.93 2.80 -0.22 0.00 0.40 -0.95 -5.01 117.98 110.08 3duk s PHE 52 Ca -0.05 -1.79 0.17 0.00 -0.60 0.00 0.00 56.93 54.66 3duk s PHE 52 Cb 0.18 -1.85 0.47 0.00 0.51 0.00 0.00 43.02 42.33 3duk s PHE 52 CO 0.66 -0.81 1.16 0.27 0.70 0.00 0.00 175.22 177.20 3duk n ASN 53 N 4.59 2.45 0.00 1.36 0.23 -1.23 -1.78 115.26 120.88 3duk n ASN 53 Ca -0.18 -2.76 0.00 0.00 -0.53 0.00 0.00 54.58 51.12 3duk n ASN 53 Cb 0.47 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3duk n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3duk n GLY 54 N -0.50 2.74 3.68 4.83 0.00 -0.19 -5.00 105.19 110.75 3duk n GLY 54 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3duk n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3duk s PRO 55 N 0.00 4.16 0.27 1.61 0.02 -1.26 -1.34 135.00 138.46 3duk s PRO 55 Ca 0.00 2.47 0.25 0.00 0.02 0.00 0.00 61.00 63.75 3duk s PRO 55 Cb 0.00 -3.76 0.93 0.00 0.02 0.00 0.00 34.50 31.69 3duk s PRO 55 CO 0.00 -0.83 1.75 0.97 -0.33 0.00 0.00 177.00 178.56 3duk h ILE 56 N 5.02 0.00 -0.57 2.83 6.09 -1.90 -2.85 117.51 126.13 3duk h ILE 56 Ca -0.45 -0.37 0.03 0.00 -1.37 0.00 0.00 64.86 62.70 3duk h ILE 56 Cb 1.21 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 39.70 3duk h ILE 56 CO 0.94 0.00 0.38 0.50 -3.07 0.00 0.00 178.15 176.90 3duk h LYS 57 N 0.00 0.64 0.00 2.19 3.64 -1.90 -1.44 116.57 119.71 3duk h LYS 57 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3duk h LYS 57 Cb 0.53 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3duk h LYS 57 CO 0.00 0.43 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.01 3duk h ASP 58 N 0.66 0.00 -0.16 4.20 5.19 -1.90 -1.28 116.42 123.13 3duk h ASP 58 Ca 0.23 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 3duk h ASP 58 Cb 0.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 3duk h ASP 58 CO -0.06 0.15 -0.26 0.25 -3.12 0.00 0.00 179.24 176.20 3duk h LEU 59 N 0.00 0.50 -0.43 1.55 5.85 -1.43 -2.21 115.31 119.14 3duk h LEU 59 Ca -0.00 -0.53 -0.17 0.00 0.84 0.00 0.00 57.88 58.01 3duk h LEU 59 Cb 0.35 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3duk h LEU 59 CO 0.02 0.94 -0.57 1.88 -0.34 0.00 0.00 178.44 180.37 3duk h TYR 60 N 0.09 0.83 -0.26 1.25 0.05 -1.41 -1.09 116.97 116.42 3duk h TYR 60 Ca 0.01 -0.30 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 3duk h TYR 60 Cb 0.84 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 3duk h TYR 60 CO 0.09 1.07 0.10 -0.44 -1.05 0.00 0.00 178.16 177.94 3duk h ASP 61 N 0.50 0.36 -0.33 3.88 3.32 -1.30 -1.58 116.42 121.27 3duk h ASP 61 Ca 0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3duk h ASP 61 Cb 1.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3duk h ASP 61 CO 0.11 0.43 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.72 3duk h TRP 62 N 0.27 0.82 0.00 4.55 7.01 -1.34 -2.04 115.95 125.22 3duk h TRP 62 Ca 0.09 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.95 3duk h TRP 62 Cb 0.18 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3duk h TRP 62 CO -0.01 0.81 0.00 1.25 -2.79 0.00 0.00 178.44 177.71 3duk h HIS 63 N 0.69 0.00 0.20 2.65 2.76 -0.98 -0.49 115.15 119.98 3duk h HIS 63 Ca 0.12 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.96 3duk h HIS 63 Cb 0.56 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.54 3duk h HIS 63 CO 0.03 0.00 -1.58 -0.91 -1.30 0.00 0.00 177.93 174.17 3duk h ASN 64 N 0.00 0.65 -0.12 3.26 2.35 -0.88 -2.29 115.58 118.56 3duk h ASN 64 Ca 0.00 -0.82 -0.04 0.00 -0.55 0.00 0.00 56.30 54.89 3duk h ASN 64 Cb 0.60 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 3duk h ASN 64 CO 0.00 1.67 -0.07 0.28 -1.65 0.00 0.00 177.43 177.67 3duk h SER 65 N 0.11 0.26 0.63 5.81 0.02 -1.14 -3.23 113.55 116.01 3duk h SER 65 Ca -0.28 -0.43 -0.14 0.00 -0.84 0.00 0.00 61.79 60.10 3duk h SER 65 Cb 2.11 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.55 3duk h SER 65 CO 0.21 0.63 -0.66 -1.13 -1.14 0.00 0.00 176.83 174.74 3duk h ASN 66 N -0.11 0.04 -3.99 3.07 -1.24 -1.25 -3.50 115.58 108.60 3duk h ASN 66 Ca 0.02 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3duk h ASN 66 Cb 0.54 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 3duk h ASN 66 CO 0.02 0.69 -0.01 0.61 -1.29 0.00 0.00 177.43 177.45 3duk n GLY 67 N 0.38 -1.48 3.73 1.57 0.00 -0.86 -4.90 105.19 103.62 3duk n GLY 67 Ca -0.01 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.32 4.21 -1.24 1.61 0.02 -1.26 -4.88 135.00 132.13 3duk s PRO 68 Ca 0.00 2.39 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 3duk s PRO 68 Cb 0.00 -3.12 0.14 0.00 0.02 0.00 0.00 34.50 31.54 3duk s PRO 68 CO 0.00 -0.58 1.54 0.00 -0.33 0.00 0.00 177.00 177.63 3duk n ALA 69 N 3.37 3.81 0.34 -1.55 0.00 -0.58 -4.84 120.51 121.06 3duk n ALA 69 Ca 0.12 -4.13 0.22 0.00 0.00 0.00 0.00 53.44 49.65 3duk n ALA 69 Cb 0.38 -3.22 1.18 0.00 0.00 0.00 0.00 19.45 17.79 3duk n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3duk h LYS 70 N 7.23 0.00 -0.74 0.00 6.56 -1.82 -0.99 116.57 126.82 3duk h LYS 70 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 3duk h LYS 70 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 3duk h LYS 70 CO 1.32 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 178.80 3duk n ASN 71 N -3.14 3.98 -4.75 0.86 3.02 -1.26 -4.97 115.26 109.00 3duk n ASN 71 Ca -0.03 -2.01 -0.41 0.00 -0.03 0.00 0.00 54.58 52.11 3duk n ASN 71 Cb 0.09 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 3duk n ASN 71 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3duk s VAL 72 N -1.01 3.80 -0.19 2.41 0.11 -0.37 -4.68 120.40 120.46 3duk s VAL 72 Ca 0.49 1.68 -0.01 0.00 -2.93 0.00 0.00 61.98 61.21 3duk s VAL 72 Cb 0.26 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 3duk s VAL 72 CO 0.33 0.35 -0.12 -1.10 -3.33 0.00 0.00 175.10 171.23 3duk s GLN 73 N -0.86 3.20 -0.02 1.54 -1.52 -0.79 -4.98 119.66 116.23 3duk s GLN 73 Ca 0.46 -0.72 0.08 0.00 -1.95 0.00 0.00 55.36 53.22 3duk s GLN 73 Cb -0.29 -2.78 -0.02 0.00 -0.22 0.00 0.00 33.01 29.70 3duk s GLN 73 CO 0.36 -0.17 -0.25 -1.12 -0.25 0.00 0.00 175.29 173.87 3duk s SER 74 N 1.29 3.15 -0.03 5.90 0.01 -1.26 -1.88 113.70 120.88 3duk s SER 74 Ca 0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3duk s SER 74 Cb -0.14 -0.39 0.03 0.00 0.21 0.00 0.00 66.02 65.73 3duk s SER 74 CO -0.07 0.32 0.00 -0.13 0.41 0.00 0.00 173.24 173.78 3duk s ARG 75 N -0.65 0.26 0.17 12.44 1.81 -0.43 -4.98 118.95 127.56 3duk s ARG 75 Ca 0.10 0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.90 3duk s ARG 75 Cb -0.10 -0.44 -0.08 0.00 -0.45 0.00 0.00 34.95 33.88 3duk s ARG 75 CO -0.01 -0.13 1.18 0.42 -0.68 0.00 0.00 175.30 176.08 3duk s ILE 76 N 0.99 3.68 0.00 1.52 1.01 -1.26 -0.81 121.20 126.34 3duk s ILE 76 Ca -0.10 1.39 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3duk s ILE 76 Cb -0.13 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3duk s ILE 76 CO -0.02 0.21 0.00 0.35 0.00 0.00 0.00 174.94 175.48 3duk n THR 77 N 2.67 0.00 -3.74 2.92 -2.24 -0.44 -4.95 114.28 108.50 3duk n THR 77 Ca 0.05 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3duk n THR 77 Cb 0.45 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.54 -0.34 -0.30 3.42 2.47 -1.21 -4.92 114.94 112.53 3duk s ASN 78 Ca 0.00 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.82 3duk s ASN 78 Cb 0.00 0.61 0.14 0.00 -1.45 0.00 0.00 41.25 40.55 3duk s ASN 78 CO 0.00 -0.25 0.30 -0.63 -3.72 0.00 0.00 177.10 172.80 3duk s ILE 79 N -0.34 -0.38 -0.41 -5.21 1.01 -1.26 -1.95 121.20 112.66 3duk s ILE 79 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 3duk s ILE 79 Cb -0.03 -0.94 0.08 0.00 0.01 0.00 0.00 42.46 41.58 3duk s ILE 79 CO 0.02 -0.50 0.24 -0.62 0.00 0.00 0.00 174.94 174.08 3duk s ASP 80 N 2.19 5.55 -0.11 3.58 2.15 -0.55 -4.97 116.67 124.51 3duk s ASP 80 Ca 0.11 -1.58 -0.03 0.00 0.43 0.00 0.00 52.55 51.48 3duk s ASP 80 Cb -0.14 -1.95 -0.03 0.00 -0.30 0.00 0.00 42.92 40.49 3duk s ASP 80 CO -0.28 -0.53 0.02 -0.63 -0.17 0.00 0.00 175.17 173.58 3duk s ILE 81 N 1.38 4.43 -0.39 4.11 1.01 -1.26 -1.08 121.20 129.40 3duk s ILE 81 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.52 3duk s ILE 81 Cb -0.23 -2.90 0.16 0.00 0.01 0.00 0.00 42.46 39.50 3duk s ILE 81 CO 0.01 0.57 0.31 0.54 0.00 0.00 0.00 174.94 176.37 3duk s VAL 82 N -0.58 0.19 0.00 2.92 0.11 -0.46 -4.81 120.40 117.77 3duk s VAL 82 Ca 0.10 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 56.96 3duk s VAL 82 Cb -0.12 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3duk s VAL 82 CO 0.02 -1.08 0.00 0.61 -3.33 0.00 0.00 175.10 171.32 3duk n GLY 83 N 3.33 1.66 0.14 6.54 0.00 -1.26 -3.07 105.19 112.53 3duk n GLY 83 Ca 0.22 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.27 2.61 -2.24 -1.26 -4.90 114.28 104.23 3duk n THR 84 Ca 0.00 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3duk n THR 84 Cb 0.00 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.25 1.02 0.24 2.28 -7.23 -1.17 -0.43 120.40 112.85 3duk s VAL 85 Ca 0.09 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 3duk s VAL 85 Cb 0.12 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 35.05 3duk s VAL 85 CO 0.55 -0.58 0.61 0.00 -0.31 0.00 0.00 175.10 175.37 3duk s ALA 86 N -3.43 -0.97 0.21 1.32 0.00 -1.09 -1.36 121.76 116.45 3duk s ALA 86 Ca 0.21 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.92 3duk s ALA 86 Cb 0.04 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 3duk s ALA 86 CO 0.03 -0.92 -0.19 -1.58 0.00 0.00 0.00 175.76 173.10 3duk s HIS 87 N -3.92 2.01 -0.21 0.00 5.65 -0.24 -1.13 115.29 117.46 3duk s HIS 87 Ca 0.12 -0.43 -0.18 0.00 0.25 0.00 0.00 55.06 54.82 3duk s HIS 87 Cb -0.03 -0.95 0.06 0.00 -1.18 0.00 0.00 32.58 30.47 3duk s HIS 87 CO 0.04 0.47 0.55 0.00 -0.65 0.00 0.00 174.74 175.14 3duk s ALA 88 N -2.28 -1.37 -0.04 1.58 0.00 -0.89 -1.48 121.76 117.28 3duk s ALA 88 Ca 0.22 1.59 0.02 0.00 0.00 0.00 0.00 51.96 53.78 3duk s ALA 88 Cb -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3duk s ALA 88 CO 0.09 -0.27 -0.06 0.50 0.00 0.00 0.00 175.76 176.02 3duk s ARG 89 N 0.42 2.69 -0.03 0.00 3.52 -0.82 -0.49 118.95 124.22 3duk s ARG 89 Ca -0.01 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3duk s ARG 89 Cb -0.04 -2.57 0.03 0.00 -1.56 0.00 0.00 34.95 30.81 3duk s ARG 89 CO -0.01 0.64 -0.01 0.08 -0.81 0.00 0.00 175.30 175.20 3duk s VAL 90 N -0.89 0.22 -0.13 7.11 1.01 -0.69 -1.32 120.40 125.71 3duk s VAL 90 Ca 0.14 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3duk s VAL 90 Cb -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 3duk s VAL 90 CO 0.04 0.15 0.05 -1.61 0.00 0.00 0.00 175.10 173.73 3duk s GLU 91 N 0.98 3.47 0.05 2.72 0.41 0.01 -0.63 118.70 125.71 3duk s GLU 91 Ca -0.10 -0.34 0.07 0.00 -0.41 0.00 0.00 54.97 54.19 3duk s GLU 91 Cb -0.14 -3.03 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 3duk s GLU 91 CO -0.01 0.54 -0.19 0.00 -0.49 0.00 0.00 175.26 175.10 3duk s ALA 92 N -0.40 1.63 0.00 5.21 0.00 -1.02 -1.31 121.76 125.86 3duk s ALA 92 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3duk s ALA 92 Cb -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3duk s ALA 92 CO 0.02 0.35 -0.01 -1.21 0.00 0.00 0.00 175.76 174.91 3duk s GLU 93 N -1.27 0.10 -1.56 0.00 2.02 -0.79 -2.41 118.70 114.79 3duk s GLU 93 Ca 0.06 -0.06 -0.01 0.00 0.02 0.00 0.00 54.97 54.98 3duk s GLU 93 Cb -0.09 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.06 3duk s GLU 93 CO 0.02 0.02 0.14 -1.71 0.02 0.00 0.00 175.26 173.75 3duk n ASN 94 N 3.00 -5.51 -4.57 -0.19 5.15 -0.55 -1.89 115.26 110.70 3duk n ASN 94 Ca -0.13 -0.08 -0.32 0.00 -0.60 0.00 0.00 54.58 53.46 3duk n ASN 94 Cb 0.59 -4.51 -0.04 0.00 -0.53 0.00 0.00 39.78 35.29 3duk n ASN 94 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3duk s TRP 95 N -2.99 2.11 -1.37 1.20 -0.11 -0.73 -3.32 118.94 113.73 3duk s TRP 95 Ca 0.07 0.03 -0.01 0.00 1.22 0.00 0.00 56.10 57.41 3duk s TRP 95 Cb -0.03 -4.22 0.01 0.00 -1.50 0.00 0.00 33.47 27.73 3duk s TRP 95 CO 0.08 -1.56 0.57 0.25 -4.62 0.00 0.00 176.95 171.68 3duk n THR 96 N 7.50 -3.62 -0.92 5.86 -2.24 -1.26 -1.65 114.28 117.94 3duk n THR 96 Ca 0.43 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3duk n THR 96 Cb 0.47 -3.15 0.00 0.00 -2.10 0.00 0.00 70.33 65.55 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 -3.01 -1.76 -4.92 3.42 5.15 -1.22 -5.00 115.26 107.90 3duk n ASN 97 Ca -0.29 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.42 3duk n ASN 97 Cb 0.67 -1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 38.85 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 -2.47 3.48 -0.14 1.20 0.08 -0.66 -4.73 117.98 114.74 3duk s PHE 98 Ca 0.00 0.37 -0.00 0.00 0.12 0.00 0.00 56.93 57.42 3duk s PHE 98 Cb 0.00 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3duk s PHE 98 CO 0.00 0.37 -0.10 0.21 -0.10 0.00 0.00 175.22 175.59 3duk s LYS 99 N -3.33 1.87 0.25 0.44 2.20 -1.26 -1.49 119.74 118.42 3duk s LYS 99 Ca 0.39 -0.46 0.12 0.00 -0.36 0.00 0.00 55.97 55.65 3duk s LYS 99 Cb -0.11 -1.93 -0.05 0.00 -1.51 0.00 0.00 37.83 34.24 3duk s LYS 99 CO 0.29 -0.29 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.72 3duk s PHE 100 N 1.58 2.30 -0.20 4.03 0.08 -1.01 -1.14 117.98 123.62 3duk s PHE 100 Ca 0.04 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.76 3duk s PHE 100 Cb -0.13 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 3duk s PHE 100 CO -0.09 0.66 -0.14 -1.12 -0.10 0.00 0.00 175.22 174.43 3duk s SER 101 N -3.27 3.38 -0.11 1.36 0.01 -0.21 -2.44 113.70 112.42 3duk s SER 101 Ca 0.27 -0.84 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 3duk s SER 101 Cb -0.06 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 3duk s SER 101 CO 0.14 -0.10 0.19 -1.81 0.41 0.00 0.00 173.24 172.07 3duk s ASP 102 N 1.33 6.44 -0.11 2.44 1.01 0.20 -1.40 116.67 126.57 3duk s ASP 102 Ca 0.00 0.53 0.01 0.00 0.71 0.00 0.00 52.55 53.80 3duk s ASP 102 Cb -0.15 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.69 3duk s ASP 102 CO -0.09 0.36 -0.12 -0.76 0.21 0.00 0.00 175.17 174.76 3duk s LEU 103 N -0.82 1.53 0.11 1.23 1.43 0.10 -1.70 118.68 120.55 3duk s LEU 103 Ca 0.16 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 3duk s LEU 103 Cb -0.13 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3duk s LEU 103 CO 0.05 -0.04 -0.24 -0.36 0.23 0.00 0.00 176.35 175.98 3duk s PHE 104 N 1.27 2.38 -0.13 0.29 0.08 0.35 -1.26 117.98 120.95 3duk s PHE 104 Ca -0.02 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3duk s PHE 104 Cb -0.14 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3duk s PHE 104 CO -0.05 0.32 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.72 3duk s LEU 105 N -1.96 2.46 0.34 -0.37 1.43 -0.78 -2.09 118.68 117.70 3duk s LEU 105 Ca 0.15 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 3duk s LEU 105 Cb -0.10 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3duk s LEU 105 CO 0.06 0.13 0.04 -0.76 0.23 0.00 0.00 176.35 176.06 3duk s LEU 106 N 0.53 3.05 -0.01 1.79 1.02 -0.28 -1.33 118.68 123.44 3duk s LEU 106 Ca -0.11 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.11 3duk s LEU 106 Cb -0.16 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.61 3duk s LEU 106 CO 0.04 -0.25 -0.01 -0.22 0.02 0.00 0.00 176.35 175.94 3duk s LEU 107 N -3.75 1.55 -1.32 1.79 2.96 -0.37 -2.68 118.68 116.86 3duk s LEU 107 Ca 0.35 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 54.08 3duk s LEU 107 Cb -0.01 -0.15 0.08 0.00 0.50 0.00 0.00 46.19 46.62 3duk s LEU 107 CO 0.20 -0.04 1.82 1.17 -1.32 0.00 0.00 176.35 178.18 3duk n LYS 108 N 3.61 3.17 -2.16 1.98 4.81 0.43 -1.45 118.16 128.55 3duk n LYS 108 Ca -0.20 -3.22 -0.38 0.00 -0.87 0.00 0.00 58.31 53.64 3duk n LYS 108 Cb 0.54 -3.34 -0.03 0.00 0.02 0.00 0.00 35.03 32.22 3duk n LYS 108 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3duk s LEU 109 N 3.05 3.26 -1.04 3.14 2.96 0.21 -3.30 118.68 126.96 3duk s LEU 109 Ca 0.50 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3duk s LEU 109 Cb 0.06 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.21 3duk s LEU 109 CO 0.02 -2.29 0.90 -0.67 -1.32 0.00 0.00 176.35 173.00 3duk n ASP 110 N 12.10 -4.73 0.00 3.68 2.03 -1.26 -2.60 116.55 125.77 3duk n ASP 110 Ca 0.20 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.07 3duk n ASP 110 Cb 0.51 -4.08 0.00 0.00 -0.72 0.00 0.00 41.12 36.82 3duk n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3duk n GLY 111 N -1.57 2.34 3.39 0.27 0.00 -1.21 -5.01 105.19 103.40 3duk n GLY 111 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.38 3.50 0.26 1.61 0.00 -1.07 -5.03 119.74 118.63 3duk s LYS 112 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 55.97 55.09 3duk s LYS 112 Cb 0.00 -2.95 -0.09 0.00 0.00 0.00 0.00 37.83 34.79 3duk s LYS 112 CO 0.00 0.01 1.21 -1.58 0.00 0.00 0.00 175.35 174.99 3duk s TRP 113 N 0.96 3.35 -0.04 1.78 0.52 -1.26 -0.62 118.94 123.63 3duk s TRP 113 Ca -0.00 1.49 -0.14 0.00 0.02 0.00 0.00 56.10 57.47 3duk s TRP 113 Cb -0.15 -3.47 0.03 0.00 -1.15 0.00 0.00 33.47 28.73 3duk s TRP 113 CO 0.01 -1.25 0.32 -0.08 0.02 0.00 0.00 176.95 175.97 3duk s THR 114 N -0.75 0.04 -0.24 2.01 -1.32 -0.53 -4.84 115.64 110.01 3duk s THR 114 Ca 0.49 -0.35 -0.28 0.00 -1.21 0.00 0.00 61.69 60.34 3duk s THR 114 Cb -0.35 -0.58 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 3duk s THR 114 CO 0.43 -0.19 0.99 -0.63 -2.21 0.00 0.00 174.62 173.01 3duk s ILE 115 N -0.95 4.71 -0.14 5.08 1.01 -0.51 -1.24 121.20 129.16 3duk s ILE 115 Ca -0.10 1.88 0.18 0.00 0.00 0.00 0.00 60.65 62.61 3duk s ILE 115 Cb -0.04 -4.27 -0.25 0.00 0.01 0.00 0.00 42.46 37.91 3duk s ILE 115 CO 0.03 -0.18 0.31 1.33 0.00 0.00 0.00 174.94 176.44 3duk n VAL 116 N 5.35 1.09 -4.01 2.92 0.24 -0.44 -0.54 118.33 122.94 3duk n VAL 116 Ca 0.10 -0.75 -0.08 0.00 -2.04 0.00 0.00 64.34 61.56 3duk n VAL 116 Cb 0.46 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 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 -5.38 0.31 -0.24 -1.34 0.02 -0.87 -1.71 114.94 105.74 3duk s ASN 117 Ca -0.08 -0.66 -0.10 0.00 -1.02 0.00 0.00 52.86 51.00 3duk s ASN 117 Cb 0.08 0.15 0.09 0.00 0.02 0.00 0.00 41.25 41.60 3duk s ASN 117 CO 0.84 -0.42 0.53 -0.75 0.02 0.00 0.00 177.10 177.32 3duk s LYS 118 N -2.38 0.48 0.06 -0.60 2.36 -0.43 -1.87 119.74 117.35 3duk s LYS 118 Ca -0.07 1.15 0.06 0.00 -2.55 0.00 0.00 55.97 54.56 3duk s LYS 118 Cb -0.03 0.40 -0.03 0.00 -1.05 0.00 0.00 37.83 37.12 3duk s LYS 118 CO -0.04 -0.20 -0.16 0.14 1.55 0.00 0.00 175.35 176.64 3duk s VAL 119 N 2.31 1.27 0.06 4.02 -7.23 -0.39 -1.77 120.40 118.66 3duk s VAL 119 Ca -0.06 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 3duk s VAL 119 Cb -0.10 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 3duk s VAL 119 CO -0.16 -0.03 -0.06 0.72 -0.31 0.00 0.00 175.10 175.26 3duk s PHE 120 N -0.99 0.65 -0.13 2.82 -0.12 -1.02 -0.73 117.98 118.47 3duk s PHE 120 Ca 0.02 -0.68 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 3duk s PHE 120 Cb -0.09 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 41.91 3duk s PHE 120 CO 0.02 -0.15 -0.21 -1.58 -0.05 0.00 0.00 175.22 173.25 3duk s HIS 121 N -2.30 2.67 -0.24 3.49 2.46 -0.50 -4.37 115.29 116.49 3duk s HIS 121 Ca -0.03 -1.20 -0.17 0.00 0.47 0.00 0.00 55.06 54.13 3duk s HIS 121 Cb -0.04 -1.80 -0.03 0.00 -0.13 0.00 0.00 32.58 30.58 3duk s HIS 121 CO -0.02 -0.53 0.48 -1.17 -2.47 0.00 0.00 174.74 171.03 3duk s LEU 122 N 0.68 4.08 0.24 8.88 2.96 -1.26 -1.04 118.68 133.22 3duk s LEU 122 Ca -0.10 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 3duk s LEU 122 Cb -0.16 -2.63 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 3duk s LEU 122 CO 0.01 -0.23 1.05 -1.00 -1.32 0.00 0.00 176.35 174.87 3duk s HIS 123 N 2.04 3.69 -2.00 5.38 3.76 -0.29 -5.00 115.29 122.87 3duk s HIS 123 Ca 0.21 1.74 0.10 0.00 -0.15 0.00 0.00 55.06 56.95 3duk s HIS 123 Cb -0.15 -3.20 0.57 0.00 1.11 0.00 0.00 32.58 30.91 3duk s HIS 123 CO 0.09 -0.28 1.02 0.00 -0.85 0.00 0.00 174.74 174.72