#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd s SER 3 N 0.00 -0.48 -0.38 7.83 0.15 -1.26 -5.10 113.70 114.45 1uwd s SER 3 Ca 0.00 0.38 0.09 0.00 0.70 0.00 0.00 55.95 57.12 1uwd s SER 3 Cb 0.00 0.42 0.37 0.00 -1.71 0.00 0.00 66.02 65.11 1uwd s SER 3 CO 0.00 -0.55 1.37 1.17 1.20 0.00 0.00 173.24 176.43 1uwd n LYS 4 N 0.48 1.16 -3.58 5.44 4.81 -1.26 -5.02 118.16 120.19 1uwd n LYS 4 Ca -0.13 -1.63 -0.29 0.00 -0.87 0.00 0.00 58.31 55.38 1uwd n LYS 4 Cb 0.59 0.04 -0.15 0.00 0.02 0.00 0.00 35.03 35.54 1uwd n LYS 4 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uwd s LYS 5 N 0.18 0.32 0.52 1.64 2.47 -1.26 -4.82 119.74 118.78 1uwd s LYS 5 Ca 0.19 -0.68 -0.19 0.00 -1.56 0.00 0.00 55.97 53.72 1uwd s LYS 5 Cb 0.39 -1.34 -0.07 0.00 -1.46 0.00 0.00 37.83 35.35 1uwd s LYS 5 CO -0.09 -1.02 1.04 0.08 0.16 0.00 0.00 175.35 175.52 1uwd s VAL 6 N 1.95 3.82 0.14 4.02 1.01 -1.26 -5.08 120.40 124.99 1uwd s VAL 6 Ca 0.10 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 1uwd s VAL 6 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1uwd s VAL 6 CO -0.33 -0.34 0.10 0.42 0.00 0.00 0.00 175.10 174.96 1uwd s THR 7 N -2.14 0.09 0.36 3.92 -4.23 -1.26 -4.89 115.64 107.49 1uwd s THR 7 Ca 0.66 -1.82 0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1uwd s THR 7 Cb -0.16 -2.03 0.15 0.00 1.34 0.00 0.00 72.50 71.80 1uwd s THR 7 CO 0.25 -0.41 1.88 0.07 -0.54 0.00 0.00 174.62 175.87 1uwd h LYS 8 N 2.80 0.00 -0.74 3.99 2.10 -1.94 -1.72 116.57 121.06 1uwd h LYS 8 Ca -0.34 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1uwd h LYS 8 Cb 1.21 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 1uwd h LYS 8 CO 0.57 0.30 0.45 1.49 -2.00 0.00 0.00 179.45 180.25 1uwd h GLU 9 N 0.00 1.01 -0.03 0.07 4.57 -1.98 -0.45 114.58 117.78 1uwd h GLU 9 Ca -0.00 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 57.93 1uwd h GLU 9 Cb 0.58 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1uwd h GLU 9 CO 0.04 0.71 -0.57 -0.44 -1.18 0.00 0.00 179.01 177.57 1uwd h ASP 10 N 1.02 0.55 -0.66 1.04 3.45 -1.87 -2.75 116.42 117.19 1uwd h ASP 10 Ca 0.27 -0.72 0.07 0.00 0.43 0.00 0.00 57.03 57.08 1uwd h ASP 10 Cb -0.03 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.53 1uwd h ASP 10 CO -0.05 1.20 0.44 0.58 -1.57 0.00 0.00 179.24 179.84 1uwd h VAL 11 N -0.04 0.98 0.05 -1.35 2.07 -1.12 0.21 116.25 117.05 1uwd h VAL 11 Ca -0.06 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1uwd h VAL 11 Cb 1.26 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1uwd h VAL 11 CO 0.11 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 1uwd h LEU 12 N 0.62 -0.06 -1.75 2.57 3.38 -1.04 -2.51 115.31 116.52 1uwd h LEU 12 Ca 0.29 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1uwd h LEU 12 Cb 0.34 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uwd h LEU 12 CO -0.09 0.28 -0.14 0.78 0.09 0.00 0.00 178.44 179.36 1uwd h ASN 13 N -0.41 0.00 -0.04 -0.43 2.35 -1.02 -1.57 115.58 114.47 1uwd h ASN 13 Ca -0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1uwd h ASN 13 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1uwd h ASN 13 CO 0.01 0.14 -0.70 0.00 -1.65 0.00 0.00 177.43 175.23 1uwd h ALA 14 N 1.86 0.46 0.02 -0.83 0.00 -0.47 -3.26 119.26 117.03 1uwd h ALA 14 Ca -0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 54.91 54.12 1uwd h ALA 14 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1uwd h ALA 14 CO 0.02 0.70 -0.93 -0.07 0.00 0.00 0.00 179.25 178.97 1uwd h LEU 15 N 0.48 0.23 -5.71 0.00 3.38 -0.94 -3.38 115.31 109.37 1uwd h LEU 15 Ca -0.03 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.54 1uwd h LEU 15 Cb 1.31 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1uwd h LEU 15 CO 0.14 1.04 1.85 0.29 0.09 0.00 0.00 178.44 181.85 1uwd n LYS 16 N -3.60 1.10 0.02 1.13 5.02 -0.65 -1.76 118.16 119.41 1uwd n LYS 16 Ca -0.04 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 1uwd n LYS 16 Cb 0.85 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1uwd n LYS 16 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uwd n ASN 17 N 4.61 -0.43 -4.77 4.39 3.02 -1.26 -4.99 115.26 115.83 1uwd n ASN 17 Ca 0.24 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.56 1uwd n ASN 17 Cb 0.07 0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 39.86 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uwd s VAL 18 N -2.00 2.75 -0.01 2.41 1.01 -0.72 -5.02 120.40 118.81 1uwd s VAL 18 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.67 1uwd s VAL 18 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1uwd s VAL 18 CO 0.00 0.08 -0.13 -0.63 0.00 0.00 0.00 175.10 174.42 1uwd s ILE 19 N -1.32 1.00 -0.10 2.22 -1.09 -1.26 -4.05 121.20 116.61 1uwd s ILE 19 Ca 0.58 -0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 58.16 1uwd s ILE 19 Cb -0.36 -0.84 -0.03 0.00 -1.58 0.00 0.00 42.46 39.65 1uwd s ILE 19 CO 0.45 0.29 1.39 -1.81 -1.23 0.00 0.00 174.94 174.03 1uwd s ASP 20 N -0.28 6.86 0.52 3.58 -0.00 -0.81 -4.91 116.67 121.63 1uwd s ASP 20 Ca 0.04 1.92 0.23 0.00 -0.00 0.00 0.00 52.55 54.75 1uwd s ASP 20 Cb -0.05 -2.54 1.40 0.00 -0.00 0.00 0.00 42.92 41.73 1uwd s ASP 20 CO -0.00 -0.78 2.10 -0.26 -0.00 0.00 0.00 175.17 176.23 1uwd h PHE 21 N 8.44 0.00 0.00 4.23 0.04 -1.98 -0.20 116.94 127.46 1uwd h PHE 21 Ca -0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1uwd h PHE 21 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1uwd h PHE 21 CO 0.81 0.10 0.00 -1.91 -0.60 0.00 0.00 178.31 176.71 1uwd n GLU 22 N -3.98 0.00 -0.02 1.51 0.00 -1.26 -4.59 120.64 112.30 1uwd n GLU 22 Ca -0.02 0.50 -0.13 0.00 0.00 0.00 0.00 57.16 57.50 1uwd n GLU 22 Cb 0.18 -1.24 -0.10 0.00 0.00 0.00 0.00 31.44 30.29 1uwd n GLU 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwd h LEU 23 N 0.00 0.05 0.00 4.31 -0.00 -1.95 -3.48 115.31 114.23 1uwd h LEU 23 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 1uwd h LEU 23 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1uwd h LEU 23 CO 0.00 0.56 0.00 0.61 -0.00 0.00 0.00 178.44 179.61 1uwd n GLY 24 N 0.32 1.03 3.38 0.83 0.00 -0.10 -5.03 105.19 105.62 1uwd n GLY 24 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 1.78 0.51 0.99 2.01 -1.26 -4.90 118.68 117.81 1uwd s LEU 25 Ca 0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 54.13 52.48 1uwd s LEU 25 Cb 0.00 0.16 -0.02 0.00 0.01 0.00 0.00 46.19 46.34 1uwd s LEU 25 CO 0.00 -0.92 0.80 1.51 1.01 0.00 0.00 176.35 178.75 1uwd s ASP 26 N -3.44 6.03 0.37 2.29 1.47 -1.26 -1.92 116.67 120.22 1uwd s ASP 26 Ca 0.33 0.79 0.06 0.00 1.18 0.00 0.00 52.55 54.92 1uwd s ASP 26 Cb 0.04 -2.02 0.76 0.00 -0.34 0.00 0.00 42.92 41.36 1uwd s ASP 26 CO 0.18 -0.72 1.98 -0.37 0.68 0.00 0.00 175.17 176.92 1uwd h VAL 27 N 0.14 1.04 -0.00 2.11 -1.51 -1.82 -0.38 116.25 115.82 1uwd h VAL 27 Ca -0.46 -0.25 -0.14 0.00 -1.23 0.00 0.00 66.70 64.61 1uwd h VAL 27 Cb 1.22 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1uwd h VAL 27 CO 0.61 0.13 -0.67 0.58 -1.23 0.00 0.00 177.57 176.99 1uwd h VAL 28 N 0.72 1.48 0.03 7.19 2.07 -1.92 0.19 116.25 126.00 1uwd h VAL 28 Ca 0.28 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 1uwd h VAL 28 Cb 0.19 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1uwd h VAL 28 CO -0.08 0.66 -0.01 0.28 0.02 0.00 0.00 177.57 178.43 1uwd h SER 29 N 0.01 -0.03 0.70 0.57 0.02 -1.77 -3.29 113.55 109.76 1uwd h SER 29 Ca -0.01 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1uwd h SER 29 Cb 1.19 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1uwd h SER 29 CO 0.09 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.40 1uwd n LEU 30 N -4.88 0.71 -0.53 5.07 4.77 -0.22 -3.91 117.00 118.00 1uwd n LEU 30 Ca -0.08 0.68 -0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1uwd n LEU 30 Cb 0.25 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1uwd n LEU 30 CO 0.33 -0.61 -0.06 0.61 -1.33 0.00 0.00 177.39 176.33 1uwd n GLY 31 N -0.08 0.50 0.00 -0.72 0.00 0.60 -3.83 105.19 101.65 1uwd n GLY 31 Ca 0.02 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.72 0.04 -4.83 0.99 4.77 -0.84 -4.77 117.00 111.63 1uwd n LEU 32 Ca -0.06 0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.95 1uwd n LEU 32 Cb 0.36 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1uwd n LEU 32 CO 0.08 0.01 0.27 -0.69 -1.33 0.00 0.00 177.39 175.73 1uwd s VAL 33 N -2.85 4.77 -0.07 4.08 1.01 -1.26 -1.78 120.40 124.30 1uwd s VAL 33 Ca 0.19 1.03 -0.08 0.00 0.00 0.00 0.00 61.98 63.11 1uwd s VAL 33 Cb 0.19 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1uwd s VAL 33 CO 0.51 0.34 -0.16 -1.22 0.00 0.00 0.00 175.10 174.58 1uwd n TYR 34 N 1.10 0.00 -4.34 5.22 4.01 0.74 -4.99 117.16 118.90 1uwd n TYR 34 Ca -0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.50 1uwd n TYR 34 Cb 0.51 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 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 -5.30 1.79 -0.40 7.72 3.68 -1.08 -4.98 116.67 118.10 1uwd s ASP 35 Ca -0.13 -1.26 0.04 0.00 2.13 0.00 0.00 52.55 53.33 1uwd s ASP 35 Cb 0.02 0.02 0.16 0.00 -1.45 0.00 0.00 42.92 41.68 1uwd s ASP 35 CO 0.20 -0.56 0.44 -0.63 0.13 0.00 0.00 175.17 174.75 1uwd s ILE 36 N -3.46 -0.41 -0.29 4.11 1.01 -1.26 -1.64 121.20 119.27 1uwd s ILE 36 Ca 0.31 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1uwd s ILE 36 Cb 0.06 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1uwd s ILE 36 CO 0.10 -0.53 0.52 -1.10 0.00 0.00 0.00 174.94 173.93 1uwd s GLN 37 N 1.24 3.95 -0.36 2.79 -0.21 -0.11 -4.78 119.66 122.18 1uwd s GLN 37 Ca 0.20 0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.81 1uwd s GLN 37 Cb -0.10 -3.69 0.11 0.00 1.00 0.00 0.00 33.01 30.32 1uwd s GLN 37 CO -0.05 -0.43 0.10 0.42 -2.12 0.00 0.00 175.29 173.21 1uwd s ILE 38 N 2.35 1.80 1.13 1.08 1.01 -1.26 -1.01 121.20 126.30 1uwd s ILE 38 Ca 0.21 -2.18 -0.13 0.00 0.00 0.00 0.00 60.65 58.55 1uwd s ILE 38 Cb -0.15 -2.32 0.27 0.00 0.01 0.00 0.00 42.46 40.26 1uwd s ILE 38 CO 0.10 -0.67 1.04 -0.62 0.00 0.00 0.00 174.94 174.79 1uwd s ASP 39 N 0.94 1.26 0.40 3.58 3.68 -0.95 -4.84 116.67 120.73 1uwd s ASP 39 Ca 0.12 1.47 0.15 0.00 2.13 0.00 0.00 52.55 56.42 1uwd s ASP 39 Cb -0.20 -2.23 0.84 0.00 -1.45 0.00 0.00 42.92 39.88 1uwd s ASP 39 CO -0.12 -4.02 1.88 -0.78 0.13 0.00 0.00 175.17 172.26 1uwd h ASP 40 N -2.50 0.00 0.00 -0.34 3.58 -1.94 -0.25 116.42 114.97 1uwd h ASP 40 Ca -0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.85 1uwd h ASP 40 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1uwd h ASP 40 CO 0.51 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 177.18 1uwd n GLN 41 N -4.08 0.97 -2.16 0.28 3.00 -1.26 -4.87 117.38 109.26 1uwd n GLN 41 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1uwd n GLN 41 Cb 0.36 -1.20 -0.02 0.00 0.00 0.00 0.00 30.24 29.38 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1uwd n ASN 42 N -0.70 -5.24 -4.55 1.08 3.02 -0.10 -4.47 115.26 104.29 1uwd n ASN 42 Ca 0.09 0.09 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1uwd n ASN 42 Cb 0.04 -4.32 -0.04 0.00 -0.61 0.00 0.00 39.78 34.86 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 -2.33 4.44 -0.28 6.41 0.02 -1.26 -2.18 114.94 119.77 1uwd s ASN 43 Ca 0.00 0.63 -0.25 0.00 -1.02 0.00 0.00 52.86 52.22 1uwd s ASN 43 Cb 0.00 -2.52 -0.00 0.00 0.02 0.00 0.00 41.25 38.75 1uwd s ASN 43 CO 0.00 -3.07 0.84 -0.69 0.02 0.00 0.00 177.10 174.20 1uwd s VAL 44 N 12.37 4.79 -0.09 1.60 1.01 -0.63 -2.25 120.40 137.19 1uwd s VAL 44 Ca 0.91 1.42 0.04 0.00 0.00 0.00 0.00 61.98 64.35 1uwd s VAL 44 Cb -0.15 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1uwd s VAL 44 CO 0.19 -0.19 -0.22 -0.75 0.00 0.00 0.00 175.10 174.13 1uwd s LYS 45 N 2.97 2.84 -0.10 2.72 2.20 -0.18 -0.60 119.74 129.60 1uwd s LYS 45 Ca 0.35 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1uwd s LYS 45 Cb -0.14 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.03 1uwd s LYS 45 CO 0.10 0.16 -0.08 0.08 -0.36 0.00 0.00 175.35 175.26 1uwd s VAL 46 N 0.37 0.97 -0.88 4.02 1.01 -0.55 -0.93 120.40 124.41 1uwd s VAL 46 Ca -0.18 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1uwd s VAL 46 Cb -0.18 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1uwd s VAL 46 CO 0.08 0.35 1.44 -0.76 0.00 0.00 0.00 175.10 176.21 1uwd s LEU 47 N 1.46 3.33 0.42 3.92 1.02 -0.65 -0.97 118.68 127.21 1uwd s LEU 47 Ca -0.00 -0.91 0.08 0.00 0.02 0.00 0.00 54.13 53.31 1uwd s LEU 47 Cb -0.13 -2.56 -0.02 0.00 0.02 0.00 0.00 46.19 43.50 1uwd s LEU 47 CO -0.05 -1.77 0.39 -0.32 0.02 0.00 0.00 176.35 174.62 1uwd s MET 48 N 5.52 2.53 0.17 1.70 1.75 -1.13 -0.19 119.30 129.65 1uwd s MET 48 Ca 0.44 -1.55 -0.02 0.00 -1.25 0.00 0.00 55.69 53.32 1uwd s MET 48 Cb -0.04 -2.38 -0.04 0.00 2.84 0.00 0.00 34.83 35.21 1uwd s MET 48 CO 0.02 -0.22 0.11 -0.08 -0.65 0.00 0.00 175.02 174.20 1uwd s THR 49 N -2.48 0.05 0.03 10.11 -1.32 -0.73 -1.00 115.64 120.29 1uwd s THR 49 Ca 0.48 -1.91 0.06 0.00 -1.21 0.00 0.00 61.69 59.11 1uwd s THR 49 Cb -0.03 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.68 1uwd s THR 49 CO 0.28 -0.23 -0.16 -0.32 -2.21 0.00 0.00 174.62 171.97 1uwd s MET 50 N -4.09 2.17 0.18 7.08 1.75 -1.26 -4.81 119.30 120.31 1uwd s MET 50 Ca 0.30 -0.92 -0.14 0.00 -1.25 0.00 0.00 55.69 53.68 1uwd s MET 50 Cb 0.07 -2.24 0.15 0.00 2.84 0.00 0.00 34.83 35.64 1uwd s MET 50 CO 0.07 0.56 1.72 0.00 -0.65 0.00 0.00 175.02 176.71 1uwd h THR 51 N 3.96 0.75 -3.86 10.11 1.03 -1.98 -3.44 112.91 119.48 1uwd h THR 51 Ca -0.48 -0.07 -0.35 0.00 -0.01 0.00 0.00 66.41 65.50 1uwd h THR 51 Cb 1.16 0.52 -0.29 0.00 -1.07 0.00 0.00 68.15 68.46 1uwd h THR 51 CO 0.49 0.04 -0.76 0.42 -0.01 0.00 0.00 175.52 175.69 1uwd s THR 52 N -6.15 0.50 0.25 0.00 -4.23 -1.26 -4.96 115.64 99.79 1uwd s THR 52 Ca -0.13 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1uwd s THR 52 Cb 0.14 -0.44 0.24 0.00 1.34 0.00 0.00 72.50 73.78 1uwd s THR 52 CO 0.72 0.15 1.84 -0.65 -0.54 0.00 0.00 174.62 176.15 1uwd h PRO 53 N 6.20 0.94 -0.61 3.99 0.11 -2.01 -3.06 132.00 137.55 1uwd h PRO 53 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1uwd h PRO 53 Cb 1.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1uwd h PRO 53 CO 0.50 0.62 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 1uwd n MET 54 N -4.63 0.59 -1.72 1.05 0.00 -1.26 -4.88 117.12 106.26 1uwd n MET 54 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.42 1uwd n MET 54 Cb 0.24 -1.29 -0.01 0.00 0.00 0.00 0.00 33.22 32.16 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 3.57 -0.62 -2.18 0.00 0.13 -1.94 -3.05 132.00 127.90 1uwd h PRO 56 Ca -0.47 0.04 -0.71 0.00 -0.87 0.00 0.00 66.00 63.99 1uwd h PRO 56 Cb 1.26 0.14 -0.34 0.00 0.13 0.00 0.00 31.00 32.19 1uwd h PRO 56 CO 0.70 -0.39 0.27 1.47 -0.23 0.00 0.00 178.00 179.82 1uwd n LEU 57 N -5.21 6.10 -0.18 1.56 -0.00 -1.26 -4.89 117.00 113.12 1uwd n LEU 57 Ca -0.08 -5.43 -0.01 0.00 -0.00 0.00 0.00 56.01 50.49 1uwd n LEU 57 Cb 0.27 -0.87 0.08 0.00 -0.00 0.00 0.00 43.42 42.90 1uwd n LEU 57 CO 0.21 2.15 0.87 0.00 -0.00 0.00 0.00 177.39 180.62 1uwd h ALA 58 N 3.49 0.58 0.00 1.47 0.00 -1.91 -0.43 119.26 122.46 1uwd h ALA 58 Ca 0.37 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1uwd h ALA 58 Cb 0.41 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1uwd h ALA 58 CO 1.04 -0.36 -0.04 0.78 0.00 0.00 0.00 179.25 180.67 1uwd h GLY 59 N 0.16 0.00 0.83 0.00 0.00 -1.90 0.15 103.07 102.31 1uwd h GLY 59 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.46 1uwd h GLY 59 CO -0.43 0.00 -0.58 1.98 0.00 0.00 0.00 176.54 177.51 1uwd h MET 60 N 0.00 0.45 -0.58 4.80 -1.53 -1.51 -1.20 114.93 115.37 1uwd h MET 60 Ca -0.00 -0.44 -0.04 0.00 -3.44 0.00 0.00 59.70 55.78 1uwd h MET 60 Cb 0.11 0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 1uwd h MET 60 CO 0.01 1.09 0.21 0.82 0.14 0.00 0.00 176.91 179.17 1uwd h ILE 61 N -0.02 1.22 -0.39 1.77 2.04 -0.81 -0.09 117.51 121.22 1uwd h ILE 61 Ca -0.06 -0.71 -0.14 0.00 1.00 0.00 0.00 64.86 64.95 1uwd h ILE 61 Cb 1.27 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1uwd h ILE 61 CO 0.12 0.28 -0.32 -0.07 0.00 0.00 0.00 178.15 178.15 1uwd h LEU 62 N 0.84 0.92 0.31 1.44 3.38 -0.70 0.12 115.31 121.62 1uwd h LEU 62 Ca 0.19 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1uwd h LEU 62 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1uwd h LEU 62 CO -0.01 1.16 -0.21 0.28 0.09 0.00 0.00 178.44 179.75 1uwd h SER 63 N 0.74 -0.52 -1.01 -0.43 0.02 -0.99 -2.84 113.55 108.52 1uwd h SER 63 Ca 0.08 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1uwd h SER 63 Cb 0.89 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 1uwd h SER 63 CO 0.08 -0.33 0.64 -0.78 -1.14 0.00 0.00 176.83 175.31 1uwd h ASP 64 N -0.51 0.97 -0.05 3.07 3.58 -0.60 0.72 116.42 123.60 1uwd h ASP 64 Ca -0.03 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1uwd h ASP 64 Cb 0.43 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1uwd h ASP 64 CO 0.02 0.55 0.03 0.00 -2.88 0.00 0.00 179.24 176.96 1uwd h ALA 65 N 1.51 0.07 -0.96 -0.78 0.00 -0.78 -2.50 119.26 115.82 1uwd h ALA 65 Ca 0.48 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.39 1uwd h ALA 65 Cb 0.39 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1uwd h ALA 65 CO -0.24 -0.39 0.62 1.49 0.00 0.00 0.00 179.25 180.74 1uwd h GLU 66 N -0.02 1.11 -0.60 0.00 4.81 -0.89 -2.68 114.58 116.32 1uwd h GLU 66 Ca 0.02 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1uwd h GLU 66 Cb 0.09 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1uwd h GLU 66 CO -0.00 0.74 0.39 0.93 -0.73 0.00 0.00 179.01 180.34 1uwd h GLU 67 N 1.15 0.62 -0.26 1.92 4.39 -0.48 0.17 114.58 122.08 1uwd h GLU 67 Ca 0.40 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.87 1uwd h GLU 67 Cb 0.11 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1uwd h GLU 67 CO -0.14 0.41 -0.58 0.00 -1.16 0.00 0.00 179.01 177.54 1uwd h ALA 68 N 1.67 0.47 0.12 3.43 0.00 -1.24 -3.09 119.26 120.62 1uwd h ALA 68 Ca 0.25 -0.53 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 1uwd h ALA 68 Cb 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1uwd h ALA 68 CO -0.07 0.68 -1.23 0.82 0.00 0.00 0.00 179.25 179.45 1uwd h ILE 69 N 0.64 1.35 0.00 0.00 1.08 -1.24 -3.23 117.51 116.11 1uwd h ILE 69 Ca 0.01 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 1uwd h ILE 69 Cb 1.19 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.69 1uwd h ILE 69 CO 0.13 0.79 0.00 2.29 -0.69 0.00 0.00 178.15 180.66 1uwd n LYS 70 N -3.72 0.45 0.00 2.37 2.85 0.50 -3.23 118.16 117.38 1uwd n LYS 70 Ca -0.12 0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.31 1uwd n LYS 70 Cb 0.99 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 34.16 1uwd n LYS 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1uwd n LYS 71 N -1.21 1.41 -0.23 -1.58 2.85 -1.17 -4.33 118.16 113.91 1uwd n LYS 71 Ca 0.13 -0.98 0.02 0.00 -1.05 0.00 0.00 58.31 56.43 1uwd n LYS 71 Cb 0.16 -1.48 0.11 0.00 -0.65 0.00 0.00 35.03 33.17 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 0.06 0.69 -4.17 0.58 5.41 -1.20 -4.90 119.36 115.83 1uwd n ILE 72 Ca 0.14 -0.37 -0.31 0.00 1.00 0.00 0.00 62.75 63.21 1uwd n ILE 72 Cb 0.42 -0.36 -0.09 0.00 -0.71 0.00 0.00 39.64 38.90 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 0.16 -0.89 0.00 0.38 2.13 -1.26 -4.25 120.64 116.90 1uwd n GLU 73 Ca 0.07 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1uwd n GLU 73 Cb 0.46 -3.49 0.00 0.00 0.27 0.00 0.00 31.44 28.69 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 -2.09 -0.21 3.15 8.31 0.00 -1.26 -4.96 105.19 108.13 1uwd n GLY 74 Ca -0.20 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.86 0.00 -0.36 1.61 0.31 -1.26 -4.72 118.33 112.05 1uwd n VAL 75 Ca 0.00 -0.14 -0.02 0.00 -0.01 0.00 0.00 64.34 64.17 1uwd n VAL 75 Cb 0.00 -1.13 0.02 0.00 -0.91 0.00 0.00 33.84 31.82 1uwd n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uwd n ASN 76 N 5.98 -0.65 -4.15 4.52 5.15 -0.93 -4.58 115.26 120.60 1uwd n ASN 76 Ca 0.20 1.62 -0.11 0.00 -0.60 0.00 0.00 54.58 55.68 1uwd n ASN 76 Cb 0.25 -0.35 -0.10 0.00 -0.53 0.00 0.00 39.78 39.04 1uwd n ASN 76 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uwd s ASN 77 N -5.35 1.12 -0.31 1.20 4.22 -1.25 -5.02 114.94 109.55 1uwd s ASN 77 Ca -0.12 -0.92 -0.00 0.00 -2.14 0.00 0.00 52.86 49.67 1uwd s ASN 77 Cb 0.18 0.08 0.10 0.00 1.28 0.00 0.00 41.25 42.88 1uwd s ASN 77 CO 0.65 -0.41 0.09 -0.69 -2.04 0.00 0.00 177.10 174.70 1uwd s VAL 78 N -3.17 1.06 -0.79 3.54 1.01 -1.26 -1.61 120.40 119.17 1uwd s VAL 78 Ca 0.08 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.59 1uwd s VAL 78 Cb 0.02 -1.78 0.27 0.00 0.00 0.00 0.00 36.38 34.88 1uwd s VAL 78 CO -0.04 -0.65 0.98 -0.62 0.00 0.00 0.00 175.10 174.78 1uwd n GLU 79 N 4.77 3.15 -2.55 2.72 1.02 0.23 -5.00 120.64 124.98 1uwd n GLU 79 Ca -0.02 -4.63 -0.41 0.00 -0.02 0.00 0.00 57.16 52.08 1uwd n GLU 79 Cb 0.42 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uwd s VAL 80 N -2.53 3.75 0.52 2.62 1.01 -1.26 -1.49 120.40 123.02 1uwd s VAL 80 Ca 0.36 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1uwd s VAL 80 Cb 0.11 -4.94 -0.08 0.00 0.00 0.00 0.00 36.38 31.47 1uwd s VAL 80 CO 0.02 -1.87 0.99 -0.70 0.00 0.00 0.00 175.10 173.54 1uwd s GLU 81 N 5.62 3.94 -0.50 2.72 2.12 -0.14 -4.96 118.70 127.50 1uwd s GLU 81 Ca 0.37 0.95 0.03 0.00 0.36 0.00 0.00 54.97 56.68 1uwd s GLU 81 Cb -0.07 -2.13 0.15 0.00 0.26 0.00 0.00 34.13 32.34 1uwd s GLU 81 CO 0.11 -0.28 0.31 -1.17 -0.54 0.00 0.00 175.26 173.69 1uwd s LEU 82 N -4.10 3.08 -0.45 2.70 2.96 -1.26 -2.82 118.68 118.80 1uwd s LEU 82 Ca 0.59 -2.98 -0.29 0.00 -0.22 0.00 0.00 54.13 51.23 1uwd s LEU 82 Cb -0.10 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.50 1uwd s LEU 82 CO 0.32 -0.21 1.17 -0.89 -1.32 0.00 0.00 176.35 175.42 1uwd s THR 83 N -0.12 4.19 -0.36 3.68 2.01 -0.17 -4.84 115.64 120.03 1uwd s THR 83 Ca 0.21 1.24 0.04 0.00 0.31 0.00 0.00 61.69 63.50 1uwd s THR 83 Cb -0.16 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 1uwd s THR 83 CO -0.06 -0.90 0.38 0.49 -0.69 0.00 0.00 174.62 173.84 1uwd n PHE 84 N 7.86 0.00 0.11 4.92 3.72 -1.26 -4.48 117.46 128.33 1uwd n PHE 84 Ca 0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 1uwd n PHE 84 Cb 0.49 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.39 -0.28 -4.23 4.37 3.32 -2.01 -3.46 116.42 114.53 1uwd h ASP 85 Ca 0.00 -0.25 -0.51 0.00 0.02 0.00 0.00 57.03 56.29 1uwd h ASP 85 Cb 0.14 0.07 0.12 0.00 0.22 0.00 0.00 39.33 39.88 1uwd h ASP 85 CO 0.00 0.20 0.35 -2.84 -1.72 0.00 0.00 179.24 175.23 1uwd s PRO 86 N -3.83 2.48 1.13 3.56 0.02 -1.26 -5.04 135.00 132.07 1uwd s PRO 86 Ca -0.13 1.37 -0.14 0.00 0.02 0.00 0.00 61.00 62.12 1uwd s PRO 86 Cb 0.01 -1.91 0.21 0.00 0.02 0.00 0.00 34.50 32.83 1uwd s PRO 86 CO 0.47 -1.49 0.69 -2.30 -0.33 0.00 0.00 177.00 174.03 1uwd n PRO 87 N -2.86 -1.98 0.00 5.54 -0.02 -1.26 -5.07 135.00 129.35 1uwd n PRO 87 Ca 0.10 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1uwd n PRO 87 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1uwd n PRO 87 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1uwd n TRP 88 N -4.71 0.00 0.00 6.00 -0.00 -1.26 -5.08 117.44 112.40 1uwd n TRP 88 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1uwd n TRP 88 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 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 0.26 5.87 -1.04 -1.26 -5.01 114.28 113.10 1uwd n THR 89 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1uwd n THR 89 Cb 0.00 0.00 0.68 0.00 -1.82 0.00 0.00 70.33 69.19 1uwd n THR 89 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1uwd h PRO 90 N 0.00 0.00 0.00 -2.82 0.13 -1.99 -1.82 132.00 125.49 1uwd h PRO 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uwd h PRO 90 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uwd h PRO 90 CO 0.00 0.14 0.00 0.93 -0.23 0.00 0.00 178.00 178.84 1uwd h GLU 91 N 0.00 0.00 -0.26 0.86 5.08 -1.96 -3.20 114.58 115.10 1uwd h GLU 91 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1uwd h GLU 91 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1uwd h GLU 91 CO 0.02 0.00 0.06 0.00 -1.00 0.00 0.00 179.01 178.09 1uwd h ARG 92 N 0.00 0.37 -6.96 2.33 3.08 -1.59 -3.44 114.38 108.17 1uwd h ARG 92 Ca 0.00 -0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.53 1uwd h ARG 92 Cb 0.17 -0.07 0.22 0.00 0.08 0.00 0.00 29.97 30.37 1uwd h ARG 92 CO 0.00 0.35 -0.38 -1.33 -1.07 0.00 0.00 179.97 177.53 1uwd n MET 93 N -4.39 -1.48 -1.42 0.04 2.81 -1.21 -4.56 117.12 106.91 1uwd n MET 93 Ca 0.01 -0.40 -0.37 0.00 -1.81 0.00 0.00 57.70 55.13 1uwd n MET 93 Cb 0.16 -2.02 0.06 0.00 -0.71 0.00 0.00 33.22 30.72 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 -3.24 -0.35 0.10 7.83 7.64 -1.25 -4.73 113.62 119.62 1uwd n SER 94 Ca 0.05 0.69 0.01 0.00 1.01 0.00 0.00 58.87 60.63 1uwd n SER 94 Cb 0.56 -1.29 0.35 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.00 0.26 -0.01 1.43 0.13 -1.93 -0.55 132.00 131.33 1uwd h PRO 95 Ca -0.47 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 1uwd h PRO 95 Cb 1.36 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1uwd h PRO 95 CO 0.46 0.44 -0.39 1.05 -0.23 0.00 0.00 178.00 179.33 1uwd h GLU 96 N 0.24 0.02 0.05 0.86 4.11 -1.99 -2.24 114.58 115.64 1uwd h GLU 96 Ca 0.05 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.23 1uwd h GLU 96 Cb 0.46 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1uwd h GLU 96 CO 0.03 0.41 -1.06 -0.07 0.07 0.00 0.00 179.01 178.39 1uwd h LEU 97 N 0.02 0.23 -0.95 3.06 3.38 -1.48 0.57 115.31 120.14 1uwd h LEU 97 Ca -0.00 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1uwd h LEU 97 Cb 0.70 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1uwd h LEU 97 CO 0.05 1.14 0.62 0.03 0.09 0.00 0.00 178.44 180.37 1uwd h ARG 98 N 0.05 1.17 0.11 1.13 3.08 -0.96 0.12 114.38 119.09 1uwd h ARG 98 Ca -0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1uwd h ARG 98 Cb 1.78 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1uwd h ARG 98 CO 0.16 0.77 -0.05 1.49 -1.07 0.00 0.00 179.97 181.27 1uwd h GLU 99 N 1.20 -0.15 -0.24 0.04 4.22 -1.31 -0.14 114.58 118.19 1uwd h GLU 99 Ca 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.82 1uwd h GLU 99 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1uwd h GLU 99 CO -0.12 0.18 0.10 -0.22 -2.18 0.00 0.00 179.01 176.76 1uwd h LYS 100 N -0.48 0.36 -0.01 1.92 3.11 -0.60 -1.16 116.57 119.72 1uwd h LYS 100 Ca -0.02 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.68 1uwd h LYS 100 Cb 0.39 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 1uwd h LYS 100 CO 0.03 0.40 -0.37 0.74 -2.81 0.00 0.00 179.45 177.44 1uwd h PHE 101 N 0.24 0.02 -4.36 1.91 -1.00 -0.89 -3.48 116.94 109.39 1uwd h PHE 101 Ca 0.08 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1uwd h PHE 101 Cb 0.18 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 39.75 1uwd h PHE 101 CO -0.01 0.39 -0.08 0.41 -1.61 0.00 0.00 178.31 177.41 1uwd n GLY 102 N -0.45 -0.74 0.02 -1.45 0.00 -0.19 -5.08 105.19 97.30 1uwd n GLY 102 Ca -0.02 0.19 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70