#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd n SER 3 N 0.00 0.22 -4.04 3.17 3.41 -1.26 -4.97 113.62 110.15 1uwd n SER 3 Ca 0.00 -2.08 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 1uwd n SER 3 Cb 0.00 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1uwd n SER 3 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1uwd n LYS 4 N -0.72 -3.56 -4.05 4.33 4.81 -1.26 -4.94 118.16 112.77 1uwd n LYS 4 Ca -0.05 0.42 -0.25 0.00 -0.87 0.00 0.00 58.31 57.55 1uwd n LYS 4 Cb 0.86 -5.17 -0.05 0.00 0.02 0.00 0.00 35.03 30.69 1uwd n LYS 4 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1uwd s LYS 5 N -6.74 2.27 0.10 1.64 -2.85 -1.26 -4.45 119.74 108.46 1uwd s LYS 5 Ca 0.68 -1.90 0.06 0.00 -1.00 0.00 0.00 55.97 53.81 1uwd s LYS 5 Cb -0.37 -2.02 -0.03 0.00 -2.06 0.00 0.00 37.83 33.34 1uwd s LYS 5 CO 0.84 -0.28 -0.14 0.08 0.10 0.00 0.00 175.35 175.95 1uwd s VAL 6 N -2.65 1.27 0.29 1.79 1.01 -1.26 -4.91 120.40 115.94 1uwd s VAL 6 Ca 0.37 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1uwd s VAL 6 Cb 0.01 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1uwd s VAL 6 CO 0.21 -0.34 0.06 0.42 0.00 0.00 0.00 175.10 175.45 1uwd s THR 7 N -1.83 0.98 0.34 3.92 -4.23 -1.26 -4.92 115.64 108.64 1uwd s THR 7 Ca 0.05 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1uwd s THR 7 Cb -0.07 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.20 1uwd s THR 7 CO 0.03 -0.05 1.81 0.07 -0.54 0.00 0.00 174.62 175.94 1uwd h LYS 8 N 2.25 0.31 -0.28 3.99 2.10 -1.94 -2.43 116.57 120.56 1uwd h LYS 8 Ca -0.40 -0.10 -0.15 0.00 -2.00 0.00 0.00 60.65 58.00 1uwd h LYS 8 Cb 1.24 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1uwd h LYS 8 CO 0.66 0.52 -0.45 1.49 -2.00 0.00 0.00 179.45 179.68 1uwd h GLU 9 N 0.29 0.72 -0.37 0.07 4.81 -1.98 -2.97 114.58 115.14 1uwd h GLU 9 Ca 0.05 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.72 1uwd h GLU 9 Cb 0.55 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1uwd h GLU 9 CO 0.04 1.02 -0.40 -0.44 -0.73 0.00 0.00 179.01 178.50 1uwd h ASP 10 N 0.58 0.98 -0.76 1.04 3.32 -1.87 -2.26 116.42 117.45 1uwd h ASP 10 Ca 0.04 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1uwd h ASP 10 Cb 1.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1uwd h ASP 10 CO 0.09 1.25 0.47 0.58 -1.72 0.00 0.00 179.24 179.92 1uwd h VAL 11 N 0.74 1.09 -0.47 -1.35 2.07 -1.41 0.37 116.25 117.30 1uwd h VAL 11 Ca 0.06 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1uwd h VAL 11 Cb 0.99 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1uwd h VAL 11 CO 0.10 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.79 1uwd h LEU 12 N 0.92 0.81 -1.14 2.57 3.38 -1.35 -1.74 115.31 118.74 1uwd h LEU 12 Ca 0.31 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1uwd h LEU 12 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1uwd h LEU 12 CO -0.12 0.91 0.00 -1.13 0.09 0.00 0.00 178.44 178.20 1uwd h ASN 13 N 0.67 0.57 -0.03 -0.43 -0.73 -0.81 -3.15 115.58 111.67 1uwd h ASN 13 Ca 0.13 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.13 1uwd h ASN 13 Cb 0.50 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1uwd h ASN 13 CO 0.02 0.63 -0.21 0.00 -0.37 0.00 0.00 177.43 177.51 1uwd h ALA 14 N 1.44 0.06 0.00 1.57 0.00 -0.64 -3.26 119.26 118.42 1uwd h ALA 14 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uwd h ALA 14 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1uwd h ALA 14 CO 0.01 0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 1uwd h LEU 15 N -0.41 0.00 0.00 0.00 3.38 -1.28 -3.10 115.31 113.90 1uwd h LEU 15 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uwd h LEU 15 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1uwd h LEU 15 CO 0.04 0.00 0.08 0.29 0.09 0.00 0.00 178.44 178.95 1uwd n LYS 16 N -2.94 0.00 -0.00 1.13 5.02 -1.22 -1.74 118.16 118.40 1uwd n LYS 16 Ca -0.03 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.55 1uwd n LYS 16 Cb 0.08 -1.58 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1uwd n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uwd n ASN 17 N -1.17 1.10 -4.43 4.39 0.23 -1.17 -4.81 115.26 109.40 1uwd n ASN 17 Ca 0.00 -0.52 -0.44 0.00 -0.53 0.00 0.00 54.58 53.09 1uwd n ASN 17 Cb 0.08 1.20 -0.04 0.00 -2.08 0.00 0.00 39.78 38.94 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uwd s VAL 18 N -2.40 4.52 0.06 3.53 1.01 -0.71 -5.02 120.40 121.39 1uwd s VAL 18 Ca 0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1uwd s VAL 18 Cb 0.09 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1uwd s VAL 18 CO 0.51 -1.36 0.98 -0.63 0.00 0.00 0.00 175.10 174.59 1uwd s ILE 19 N 3.48 4.65 -0.17 2.22 -1.09 -1.26 -3.99 121.20 125.04 1uwd s ILE 19 Ca 0.20 2.05 -0.29 0.00 -2.23 0.00 0.00 60.65 60.38 1uwd s ILE 19 Cb -0.18 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.35 1uwd s ILE 19 CO 0.07 0.24 1.64 -0.62 -1.23 0.00 0.00 174.94 175.04 1uwd s ASP 20 N 0.47 6.44 0.42 3.58 2.15 -0.57 -4.91 116.67 124.25 1uwd s ASP 20 Ca 0.49 1.80 0.18 0.00 0.43 0.00 0.00 52.55 55.45 1uwd s ASP 20 Cb -0.22 -2.53 0.95 0.00 -0.30 0.00 0.00 42.92 40.81 1uwd s ASP 20 CO 0.29 -1.18 1.90 0.15 -0.17 0.00 0.00 175.17 176.16 1uwd h PHE 21 N 10.49 0.00 0.42 -5.34 3.57 -1.95 0.23 116.94 124.37 1uwd h PHE 21 Ca -0.35 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.13 1uwd h PHE 21 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1uwd h PHE 21 CO 0.90 0.28 -0.20 1.49 -2.23 0.00 0.00 178.31 178.54 1uwd h GLU 22 N 0.00 -0.55 0.00 1.11 4.57 -1.96 -3.38 114.58 114.38 1uwd h GLU 22 Ca -0.00 0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 1uwd h GLU 22 Cb 0.56 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1uwd h GLU 22 CO 0.04 -0.36 -0.50 -0.07 -1.18 0.00 0.00 179.01 176.94 1uwd h LEU 23 N -1.15 0.00 0.00 1.64 -0.00 -1.93 -3.48 115.31 110.39 1uwd h LEU 23 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1uwd h LEU 23 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1uwd h LEU 23 CO 0.10 0.50 0.00 0.61 -0.00 0.00 0.00 178.44 179.64 1uwd n GLY 24 N 0.97 0.64 3.49 0.83 0.00 0.79 -5.01 105.19 106.88 1uwd n GLY 24 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1uwd n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwd s LEU 25 N 0.00 2.06 0.73 0.99 2.01 -1.26 -4.88 118.68 118.33 1uwd s LEU 25 Ca 0.00 -1.54 -0.10 0.00 0.01 0.00 0.00 54.13 52.50 1uwd s LEU 25 Cb 0.00 -0.23 0.05 0.00 0.01 0.00 0.00 46.19 46.02 1uwd s LEU 25 CO 0.00 -0.79 1.09 1.51 1.01 0.00 0.00 176.35 179.17 1uwd s ASP 26 N -3.55 4.93 0.24 2.29 -4.77 -1.26 -1.51 116.67 113.04 1uwd s ASP 26 Ca 0.29 0.78 -0.06 0.00 -3.30 0.00 0.00 52.55 50.26 1uwd s ASP 26 Cb 0.05 -1.44 0.30 0.00 -1.09 0.00 0.00 42.92 40.75 1uwd s ASP 26 CO 0.14 -1.60 1.88 -0.37 0.70 0.00 0.00 175.17 175.93 1uwd h VAL 27 N -0.75 1.14 -0.44 2.11 -1.51 -1.81 -0.95 116.25 114.03 1uwd h VAL 27 Ca -0.45 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 64.59 1uwd h VAL 27 Cb 1.30 -0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1uwd h VAL 27 CO 0.63 0.21 0.12 0.58 -1.23 0.00 0.00 177.57 177.88 1uwd h VAL 28 N 1.13 1.23 -0.46 7.19 2.07 -1.90 -1.27 116.25 124.24 1uwd h VAL 28 Ca 0.37 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1uwd h VAL 28 Cb 0.03 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1uwd h VAL 28 CO -0.13 0.27 0.17 0.28 0.02 0.00 0.00 177.57 178.18 1uwd h SER 29 N 0.58 0.18 0.10 0.57 0.02 -1.85 -0.13 113.55 113.02 1uwd h SER 29 Ca 0.14 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1uwd h SER 29 Cb 0.29 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1uwd h SER 29 CO -0.00 0.13 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 1uwd n LEU 30 N -5.00 0.27 -2.17 5.07 4.32 -0.40 -4.26 117.00 114.83 1uwd n LEU 30 Ca 0.04 0.61 -0.18 0.00 -0.02 0.00 0.00 56.01 56.46 1uwd n LEU 30 Cb 0.17 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1uwd n LEU 30 CO 0.26 -0.66 -0.17 0.61 -1.22 0.00 0.00 177.39 176.20 1uwd n GLY 31 N -1.18 -0.36 0.00 -0.72 0.00 -0.06 -4.29 105.19 98.57 1uwd n GLY 31 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1uwd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwd n LEU 32 N -2.79 0.00 -1.75 0.99 4.77 -0.79 -4.96 117.00 112.48 1uwd n LEU 32 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1uwd n LEU 32 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1uwd n LEU 32 CO 0.28 -0.19 -0.44 0.52 -1.33 0.00 0.00 177.39 176.24 1uwd n VAL 33 N -0.38 -5.15 -0.04 4.08 0.31 -1.26 -4.89 118.33 111.01 1uwd n VAL 33 Ca 0.00 2.37 -0.04 0.00 -0.01 0.00 0.00 64.34 66.66 1uwd n VAL 33 Cb 0.00 -3.19 -0.05 0.00 -0.91 0.00 0.00 33.84 29.70 1uwd n VAL 33 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1uwd n TYR 34 N -0.34 0.00 -3.75 3.52 4.01 0.91 -4.94 117.16 116.56 1uwd n TYR 34 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1uwd n TYR 34 Cb 0.00 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.62 1uwd n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1uwd s ASP 35 N -4.27 -0.17 -0.01 7.72 2.15 -0.87 -4.96 116.67 116.26 1uwd s ASP 35 Ca -0.07 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.89 1uwd s ASP 35 Cb 0.02 0.33 0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1uwd s ASP 35 CO 0.24 -0.52 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.06 1uwd s ILE 36 N -1.85 0.30 -0.07 4.11 1.01 -1.26 -1.13 121.20 122.30 1uwd s ILE 36 Ca -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1uwd s ILE 36 Cb -0.03 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.17 1uwd s ILE 36 CO 0.01 0.12 0.17 0.00 0.00 0.00 0.00 174.94 175.24 1uwd s GLN 37 N 0.32 0.14 -0.09 2.79 -2.07 0.13 -4.94 119.66 115.94 1uwd s GLN 37 Ca -0.03 0.35 -0.01 0.00 -1.82 0.00 0.00 55.36 53.85 1uwd s GLN 37 Cb -0.06 -0.08 0.03 0.00 -1.09 0.00 0.00 33.01 31.80 1uwd s GLN 37 CO -0.01 -0.12 -0.04 0.42 -1.32 0.00 0.00 175.29 174.23 1uwd s ILE 38 N 0.84 0.72 1.06 3.63 1.09 -1.26 -0.65 121.20 126.62 1uwd s ILE 38 Ca -0.06 -0.10 -0.18 0.00 -1.10 0.00 0.00 60.65 59.21 1uwd s ILE 38 Cb -0.08 -0.80 0.25 0.00 -1.06 0.00 0.00 42.46 40.77 1uwd s ILE 38 CO -0.04 0.31 1.30 -0.67 -0.10 0.00 0.00 174.94 175.73 1uwd n ASP 39 N 5.04 -0.45 0.32 3.58 2.03 -1.25 -4.87 116.55 120.96 1uwd n ASP 39 Ca -0.10 -1.41 0.21 0.00 0.52 0.00 0.00 54.79 54.00 1uwd n ASP 39 Cb 0.50 -1.03 1.06 0.00 -0.72 0.00 0.00 41.12 40.93 1uwd n ASP 39 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1uwd h ASP 40 N -2.02 0.00 -0.02 1.67 1.82 -1.96 -1.23 116.42 114.68 1uwd h ASP 40 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1uwd h ASP 40 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1uwd h ASP 40 CO 0.30 0.01 0.00 0.00 -1.61 0.00 0.00 179.24 177.94 1uwd n GLN 41 N -3.18 1.36 -1.98 0.28 6.02 -1.26 -4.93 117.38 113.68 1uwd n GLN 41 Ca -0.02 -0.52 -0.21 0.00 -0.01 0.00 0.00 57.00 56.24 1uwd n GLN 41 Cb 0.13 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uwd n ASN 42 N -0.35 -5.71 -4.56 1.08 3.02 -0.46 -4.51 115.26 103.77 1uwd n ASN 42 Ca 0.21 0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.67 1uwd n ASN 42 Cb 0.24 -4.89 -0.04 0.00 -0.61 0.00 0.00 39.78 34.48 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uwd s ASN 43 N -2.44 5.55 -0.10 6.41 0.01 -1.26 -2.50 114.94 120.61 1uwd s ASN 43 Ca 0.00 -0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 51.36 1uwd s ASN 43 Cb 0.00 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1uwd s ASN 43 CO 0.00 -2.31 1.40 -0.69 -1.51 0.00 0.00 177.10 173.99 1uwd s VAL 44 N 8.35 3.98 -0.10 1.60 1.01 -0.64 -3.75 120.40 130.85 1uwd s VAL 44 Ca 0.61 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1uwd s VAL 44 Cb -0.07 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1uwd s VAL 44 CO 0.06 -0.08 -0.14 -0.75 0.00 0.00 0.00 175.10 174.18 1uwd s LYS 45 N 3.38 2.09 -0.08 2.72 2.20 0.17 -1.10 119.74 129.13 1uwd s LYS 45 Ca 0.62 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1uwd s LYS 45 Cb -0.27 -1.80 0.02 0.00 -1.51 0.00 0.00 37.83 34.27 1uwd s LYS 45 CO 0.21 -0.07 -0.05 0.08 -0.36 0.00 0.00 175.35 175.16 1uwd s VAL 46 N 1.02 0.73 -0.59 4.02 1.01 -0.41 -0.69 120.40 125.48 1uwd s VAL 46 Ca -0.06 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1uwd s VAL 46 Cb -0.15 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1uwd s VAL 46 CO -0.02 0.30 1.22 -0.76 0.00 0.00 0.00 175.10 175.84 1uwd s LEU 47 N 1.41 3.42 0.46 3.92 1.02 -0.28 -0.51 118.68 128.11 1uwd s LEU 47 Ca -0.02 0.09 0.07 0.00 0.02 0.00 0.00 54.13 54.29 1uwd s LEU 47 Cb -0.13 -3.11 -0.01 0.00 0.02 0.00 0.00 46.19 42.96 1uwd s LEU 47 CO -0.03 -1.53 0.37 -0.32 0.02 0.00 0.00 176.35 174.86 1uwd s MET 48 N 5.07 2.40 0.13 1.70 -2.45 -0.03 -0.06 119.30 126.05 1uwd s MET 48 Ca 0.43 -1.72 -0.06 0.00 -1.25 0.00 0.00 55.69 53.09 1uwd s MET 48 Cb -0.08 -2.25 -0.02 0.00 1.25 0.00 0.00 34.83 33.73 1uwd s MET 48 CO 0.25 -0.33 0.18 -0.08 1.05 0.00 0.00 175.02 176.09 1uwd s THR 49 N -2.58 0.10 0.67 10.11 -1.32 -1.26 -0.58 115.64 120.78 1uwd s THR 49 Ca 0.44 -1.51 -0.07 0.00 -1.21 0.00 0.00 61.69 59.34 1uwd s THR 49 Cb -0.02 -1.76 0.04 0.00 -1.51 0.00 0.00 72.50 69.25 1uwd s THR 49 CO 0.26 -0.47 0.99 -0.04 -2.21 0.00 0.00 174.62 173.14 1uwd s MET 50 N -3.96 2.53 0.13 7.08 -1.94 -1.26 -4.74 119.30 117.14 1uwd s MET 50 Ca 0.15 -0.06 -0.23 0.00 -1.71 0.00 0.00 55.69 53.84 1uwd s MET 50 Cb 0.05 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 1uwd s MET 50 CO -0.03 -1.03 1.66 0.00 -0.01 0.00 0.00 175.02 175.61 1uwd h THR 51 N -0.47 0.53 -3.97 2.05 1.03 -2.00 -3.47 112.91 106.62 1uwd h THR 51 Ca -0.45 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.77 1uwd h THR 51 Cb 1.29 0.53 -0.21 0.00 -1.07 0.00 0.00 68.15 68.69 1uwd h THR 51 CO 0.61 0.00 -0.71 0.42 -0.01 0.00 0.00 175.52 175.84 1uwd s THR 52 N -6.12 0.16 0.18 0.00 -4.23 -1.26 -4.91 115.64 99.45 1uwd s THR 52 Ca -0.15 -0.90 0.10 0.00 -1.18 0.00 0.00 61.69 59.56 1uwd s THR 52 Cb 0.10 -0.29 -0.09 0.00 1.34 0.00 0.00 72.50 73.56 1uwd s THR 52 CO 0.67 -0.47 1.47 1.55 -0.54 0.00 0.00 174.62 177.31 1uwd h PRO 53 N 4.69 0.00 -0.42 3.99 0.13 -1.99 -3.35 132.00 135.05 1uwd h PRO 53 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1uwd h PRO 53 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1uwd h PRO 53 CO 0.41 0.75 0.00 0.00 -0.23 0.00 0.00 178.00 178.94 1uwd n MET 54 N -3.56 0.51 -0.85 0.86 0.00 -1.26 -4.91 117.12 107.91 1uwd n MET 54 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.37 1uwd n MET 54 Cb 0.75 -1.21 0.14 0.00 0.00 0.00 0.00 33.22 32.90 1uwd n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uwd h PRO 56 N -1.46 0.08 -2.07 0.00 0.13 -1.97 -3.38 132.00 123.34 1uwd h PRO 56 Ca -0.44 -0.10 -0.51 0.00 -0.87 0.00 0.00 66.00 64.08 1uwd h PRO 56 Cb 1.29 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 32.04 1uwd h PRO 56 CO 0.41 0.91 -1.06 1.47 -0.23 0.00 0.00 178.00 179.49 1uwd n LEU 57 N -4.58 1.63 -0.31 1.56 -0.00 -1.26 -4.97 117.00 109.06 1uwd n LEU 57 Ca -0.10 -5.14 0.09 0.00 -0.00 0.00 0.00 56.01 50.86 1uwd n LEU 57 Cb 0.48 0.41 0.25 0.00 -0.00 0.00 0.00 43.42 44.56 1uwd n LEU 57 CO 0.37 2.28 1.12 0.00 -0.00 0.00 0.00 177.39 181.16 1uwd h ALA 58 N 3.10 1.39 -0.60 1.47 0.00 -1.93 -1.08 119.26 121.62 1uwd h ALA 58 Ca 0.11 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1uwd h ALA 58 Cb 0.86 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1uwd h ALA 58 CO 0.57 -0.09 0.19 0.78 0.00 0.00 0.00 179.25 180.71 1uwd h GLY 59 N 0.66 0.81 0.92 0.00 0.00 -1.96 0.23 103.07 103.73 1uwd h GLY 59 Ca 0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 1uwd h GLY 59 CO -0.38 -0.05 0.05 -0.33 0.00 0.00 0.00 176.54 175.84 1uwd h MET 60 N 0.36 0.62 -0.27 4.80 2.07 -1.64 -1.06 114.93 119.79 1uwd h MET 60 Ca 0.30 -0.17 -0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1uwd h MET 60 Cb 0.40 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 1uwd h MET 60 CO -0.33 0.69 0.16 0.82 1.07 0.00 0.00 176.91 179.32 1uwd h ILE 61 N 0.45 1.11 -0.55 -1.22 2.04 -0.93 -1.08 117.51 117.32 1uwd h ILE 61 Ca 0.11 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1uwd h ILE 61 Cb 0.38 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1uwd h ILE 61 CO 0.01 0.11 0.30 -0.07 0.00 0.00 0.00 178.15 178.50 1uwd h LEU 62 N 0.34 0.45 -0.42 1.44 3.38 -0.86 -1.52 115.31 118.12 1uwd h LEU 62 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1uwd h LEU 62 Cb 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1uwd h LEU 62 CO -0.02 0.31 0.26 0.28 0.09 0.00 0.00 178.44 179.36 1uwd h SER 63 N 0.58 0.49 -0.21 -0.43 0.02 -1.00 -2.36 113.55 110.64 1uwd h SER 63 Ca 0.24 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1uwd h SER 63 Cb 0.12 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1uwd h SER 63 CO -0.15 0.38 0.09 -0.78 -1.14 0.00 0.00 176.83 175.23 1uwd h ASP 64 N 0.56 0.12 -0.23 3.07 3.58 -0.57 0.04 116.42 123.00 1uwd h ASP 64 Ca 0.15 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1uwd h ASP 64 Cb -0.03 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1uwd h ASP 64 CO -0.03 0.10 0.08 0.00 -2.88 0.00 0.00 179.24 176.51 1uwd h ALA 65 N 1.12 0.25 -0.97 -0.78 0.00 -1.25 -1.62 119.26 116.00 1uwd h ALA 65 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1uwd h ALA 65 Cb 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1uwd h ALA 65 CO -0.07 -0.34 0.63 1.49 0.00 0.00 0.00 179.25 180.95 1uwd h GLU 66 N 0.18 1.09 -0.61 0.00 4.81 -1.09 -2.38 114.58 116.58 1uwd h GLU 66 Ca 0.10 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1uwd h GLU 66 Cb 0.07 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1uwd h GLU 66 CO -0.10 0.72 0.17 1.49 -0.73 0.00 0.00 179.01 180.56 1uwd h GLU 67 N 1.13 0.97 0.00 1.92 4.81 -0.15 -0.21 114.58 123.05 1uwd h GLU 67 Ca 0.42 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1uwd h GLU 67 Cb 0.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1uwd h GLU 67 CO -0.17 0.87 -0.33 0.00 -0.73 0.00 0.00 179.01 178.66 1uwd h ALA 68 N 1.05 1.20 0.05 2.92 0.00 -0.84 -2.78 119.26 120.87 1uwd h ALA 68 Ca 0.20 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1uwd h ALA 68 Cb 0.33 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1uwd h ALA 68 CO -0.00 0.41 -0.40 0.82 0.00 0.00 0.00 179.25 180.08 1uwd h ILE 69 N 0.00 1.61 0.00 0.00 2.04 -1.16 -3.35 117.51 116.65 1uwd h ILE 69 Ca -0.00 -2.31 -0.02 0.00 1.00 0.00 0.00 64.86 63.53 1uwd h ILE 69 Cb 0.70 3.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1uwd h ILE 69 CO 0.04 0.63 -0.08 0.07 0.00 0.00 0.00 178.15 178.82 1uwd h LYS 70 N -0.59 0.00 0.00 2.37 2.10 -0.94 -3.22 116.57 116.28 1uwd h LYS 70 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1uwd h LYS 70 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1uwd h LYS 70 CO 0.08 0.08 0.00 0.36 -2.00 0.00 0.00 179.45 177.96 1uwd n LYS 71 N -3.20 0.98 0.00 0.07 2.85 -1.06 -4.28 118.16 113.52 1uwd n LYS 71 Ca 0.01 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.40 1uwd n LYS 71 Cb 0.37 -1.47 0.76 0.00 -0.65 0.00 0.00 35.03 34.04 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1uwd n ILE 72 N -0.97 0.06 -3.70 0.58 5.41 -1.22 -4.90 119.36 114.62 1uwd n ILE 72 Ca 0.22 0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.76 1uwd n ILE 72 Cb 0.10 -0.58 0.03 0.00 -0.71 0.00 0.00 39.64 38.48 1uwd n ILE 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1uwd n GLU 73 N -1.10 -4.40 0.00 0.38 2.13 -1.26 -4.69 120.64 111.70 1uwd n GLU 73 Ca 0.18 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1uwd n GLU 73 Cb 0.14 -5.07 0.00 0.00 0.27 0.00 0.00 31.44 26.78 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uwd n GLY 74 N -1.60 0.07 3.24 8.31 0.00 -1.26 -4.81 105.19 109.14 1uwd n GLY 74 Ca -0.28 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1uwd n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uwd n VAL 75 N -0.66 0.38 -0.30 1.61 0.31 -1.26 -4.76 118.33 113.65 1uwd n VAL 75 Ca 0.00 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1uwd n VAL 75 Cb 0.00 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 30.95 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uwd h ASN 76 N 8.90 -1.94 -3.05 4.52 -1.24 -1.72 -3.44 115.58 117.61 1uwd h ASN 76 Ca 0.22 0.29 -0.48 0.00 0.71 0.00 0.00 56.30 57.04 1uwd h ASN 76 Cb 0.45 0.85 -0.14 0.00 0.73 0.00 0.00 38.32 40.21 1uwd h ASN 76 CO 1.68 -0.30 -0.69 0.21 -1.29 0.00 0.00 177.43 177.04 1uwd s ASN 77 N -5.31 2.67 -0.28 1.15 2.47 -1.26 -5.02 114.94 109.37 1uwd s ASN 77 Ca -0.13 -1.13 -0.04 0.00 0.42 0.00 0.00 52.86 51.98 1uwd s ASN 77 Cb 0.11 -0.15 0.09 0.00 -1.45 0.00 0.00 41.25 39.85 1uwd s ASN 77 CO 0.63 -0.29 0.12 -0.69 -3.72 0.00 0.00 177.10 173.15 1uwd s VAL 78 N -3.01 0.05 -0.80 -5.21 1.01 -1.26 -1.62 120.40 109.56 1uwd s VAL 78 Ca 0.27 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1uwd s VAL 78 Cb 0.02 -1.01 0.23 0.00 0.00 0.00 0.00 36.38 35.62 1uwd s VAL 78 CO 0.10 -0.66 0.80 -0.62 0.00 0.00 0.00 175.10 174.73 1uwd n GLU 79 N 5.20 2.68 -2.97 2.72 -0.58 -0.26 -5.01 120.64 122.42 1uwd n GLU 79 Ca -0.06 -4.55 -0.44 0.00 -0.42 0.00 0.00 57.16 51.69 1uwd n GLU 79 Cb 0.43 -2.35 -0.04 0.00 -0.57 0.00 0.00 31.44 28.91 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1uwd s VAL 80 N -1.93 4.60 -0.05 2.62 1.01 -1.26 -1.29 120.40 124.10 1uwd s VAL 80 Ca 0.31 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1uwd s VAL 80 Cb 0.02 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 1uwd s VAL 80 CO -0.07 -1.35 1.03 -0.70 0.00 0.00 0.00 175.10 174.01 1uwd s GLU 81 N 3.22 4.46 -0.50 2.72 2.56 0.33 -4.92 118.70 126.57 1uwd s GLU 81 Ca 0.21 1.46 -0.13 0.00 0.00 0.00 0.00 54.97 56.51 1uwd s GLU 81 Cb -0.16 -3.50 0.12 0.00 2.00 0.00 0.00 34.13 32.59 1uwd s GLU 81 CO 0.04 -0.23 0.42 -1.17 -0.56 0.00 0.00 175.26 173.76 1uwd s LEU 82 N 1.62 5.91 -0.89 2.70 2.96 -1.26 -0.86 118.68 128.87 1uwd s LEU 82 Ca 0.51 -1.81 -0.06 0.00 -0.22 0.00 0.00 54.13 52.55 1uwd s LEU 82 Cb -0.21 -2.11 0.22 0.00 0.50 0.00 0.00 46.19 44.59 1uwd s LEU 82 CO 0.23 -0.77 0.80 -0.89 -1.32 0.00 0.00 176.35 174.40 1uwd s THR 83 N 1.49 4.90 -0.71 3.68 2.01 0.25 -4.84 115.64 122.43 1uwd s THR 83 Ca 0.04 -3.32 0.26 0.00 0.31 0.00 0.00 61.69 58.98 1uwd s THR 83 Cb -0.28 -4.03 0.21 0.00 0.01 0.00 0.00 72.50 68.41 1uwd s THR 83 CO 0.02 -1.06 1.63 0.49 -0.69 0.00 0.00 174.62 175.00 1uwd n PHE 84 N 2.95 0.80 0.29 4.92 3.72 -1.26 -4.24 117.46 124.64 1uwd n PHE 84 Ca 0.18 0.23 -0.16 0.00 -0.05 0.00 0.00 57.45 57.65 1uwd n PHE 84 Cb 0.40 -0.84 -0.08 0.00 -0.94 0.00 0.00 39.48 38.01 1uwd n PHE 84 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1uwd h ASP 85 N 0.00 -0.59 -4.27 4.37 3.32 -1.98 -3.43 116.42 113.84 1uwd h ASP 85 Ca 0.00 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.54 1uwd h ASP 85 Cb 0.74 0.15 0.16 0.00 0.22 0.00 0.00 39.33 40.60 1uwd h ASP 85 CO 0.00 -0.40 0.29 -2.84 -1.72 0.00 0.00 179.24 174.57 1uwd s PRO 86 N -5.97 1.70 0.22 3.56 0.02 -1.26 -5.02 135.00 128.25 1uwd s PRO 86 Ca -0.16 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 61.99 1uwd s PRO 86 Cb 0.04 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.66 1uwd s PRO 86 CO 0.62 -2.10 1.08 -1.25 -0.33 0.00 0.00 177.00 175.01 1uwd s PRO 87 N -4.63 4.65 0.00 5.54 0.04 -1.26 -5.06 135.00 134.28 1uwd s PRO 87 Ca 0.66 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1uwd s PRO 87 Cb -0.21 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1uwd s PRO 87 CO 0.55 0.19 0.00 1.87 0.04 0.00 0.00 177.00 179.64 1uwd n TRP 88 N 1.83 0.00 0.00 0.56 -0.00 -1.26 -5.12 117.44 113.45 1uwd n TRP 88 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 1uwd n TRP 88 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 1uwd n TRP 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1uwd n THR 89 N 0.00 0.00 0.18 5.87 -1.04 -1.26 -5.05 114.28 112.98 1uwd n THR 89 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1uwd n THR 89 Cb 0.00 0.00 0.33 0.00 -1.82 0.00 0.00 70.33 68.84 1uwd n THR 89 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1uwd n PRO 90 N 0.00 0.08 0.18 -2.82 -0.04 -1.26 -1.63 135.00 129.51 1uwd n PRO 90 Ca 0.00 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 1uwd n PRO 90 Cb 0.00 -1.72 0.49 0.00 -0.04 0.00 0.00 33.50 32.23 1uwd n PRO 90 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uwd h GLU 91 N 0.00 0.00 -0.77 0.54 4.39 -1.97 -3.36 114.58 113.41 1uwd h GLU 91 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1uwd h GLU 91 Cb 0.09 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1uwd h GLU 91 CO 0.00 0.00 0.50 0.00 -1.16 0.00 0.00 179.01 178.35 1uwd h ARG 92 N 0.00 0.96 -7.03 2.33 2.47 -1.59 -3.45 114.38 108.07 1uwd h ARG 92 Ca 0.00 -0.06 -0.46 0.00 -1.26 0.00 0.00 59.98 58.20 1uwd h ARG 92 Cb 0.55 -0.22 0.22 0.00 -1.65 0.00 0.00 29.97 28.87 1uwd h ARG 92 CO 0.00 0.64 -0.23 -1.33 0.56 0.00 0.00 179.97 179.60 1uwd n MET 93 N -4.59 -1.89 -1.67 0.04 2.81 -1.26 -4.74 117.12 105.83 1uwd n MET 93 Ca 0.08 -0.52 -0.39 0.00 -1.81 0.00 0.00 57.70 55.07 1uwd n MET 93 Cb 0.06 -2.08 0.04 0.00 -0.71 0.00 0.00 33.22 30.52 1uwd n MET 93 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1uwd n SER 94 N -3.97 1.75 0.16 7.83 7.64 -1.26 -4.86 113.62 120.91 1uwd n SER 94 Ca 0.04 0.94 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1uwd n SER 94 Cb 0.55 -1.46 0.48 0.00 -1.01 0.00 0.00 64.21 62.77 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1uwd h PRO 95 N 1.18 0.00 -0.82 1.43 0.13 -1.92 -0.48 132.00 131.53 1uwd h PRO 95 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1uwd h PRO 95 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1uwd h PRO 95 CO 0.55 0.00 0.48 0.93 -0.23 0.00 0.00 178.00 179.73 1uwd h GLU 96 N 0.00 1.11 0.00 0.86 3.07 -2.00 -3.08 114.58 114.55 1uwd h GLU 96 Ca 0.00 -0.11 -0.15 0.00 -0.50 0.00 0.00 59.36 58.60 1uwd h GLU 96 Cb 0.54 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1uwd h GLU 96 CO 0.00 0.79 -0.73 -0.07 -1.40 0.00 0.00 179.01 177.61 1uwd h LEU 97 N 1.13 0.00 -0.17 1.33 3.38 -1.43 0.65 115.31 120.20 1uwd h LEU 97 Ca 0.29 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1uwd h LEU 97 Cb -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 1uwd h LEU 97 CO -0.05 0.73 -0.48 0.03 0.09 0.00 0.00 178.44 178.75 1uwd h ARG 98 N 0.00 -0.50 -0.27 1.13 3.08 -1.48 -0.36 114.38 115.99 1uwd h ARG 98 Ca -0.01 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1uwd h ARG 98 Cb 1.30 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 1uwd h ARG 98 CO 0.09 -0.33 -0.05 0.93 -1.07 0.00 0.00 179.97 179.55 1uwd h GLU 99 N -0.52 0.42 0.31 0.04 3.07 -1.41 0.80 114.58 117.29 1uwd h GLU 99 Ca 0.06 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1uwd h GLU 99 Cb 0.65 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1uwd h GLU 99 CO -0.44 0.49 -0.15 -0.22 -1.40 0.00 0.00 179.01 177.29 1uwd h LYS 100 N 0.40 -0.40 0.07 2.33 3.64 -0.41 -3.34 116.57 118.87 1uwd h LYS 100 Ca 0.09 0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.21 1uwd h LYS 100 Cb 0.34 0.09 0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1uwd h LYS 100 CO 0.01 -0.07 -1.14 0.74 -2.27 0.00 0.00 179.45 176.72 1uwd h PHE 101 N -0.80 1.01 -3.35 1.91 0.04 -1.08 -3.49 116.94 111.18 1uwd h PHE 101 Ca -0.04 -0.60 -0.03 0.00 2.80 0.00 0.00 57.97 60.10 1uwd h PHE 101 Cb 0.51 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.60 1uwd h PHE 101 CO 0.03 1.44 -0.11 0.41 -0.60 0.00 0.00 178.31 179.49 1uwd n GLY 102 N 1.27 0.47 0.00 -1.45 0.00 0.27 -5.10 105.19 100.65 1uwd n GLY 102 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70