#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ret h VAL 31 N 0.00 1.30 -0.60 1.08 3.04 -2.05 -2.10 116.25 116.92 2ret h VAL 31 Ca 0.00 -1.46 0.03 0.00 -1.01 0.00 0.00 66.70 64.26 2ret h VAL 31 Cb 0.00 1.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 2ret h VAL 31 CO 0.00 0.44 0.36 1.23 -1.01 0.00 0.00 177.57 178.59 2ret h GLY 32 N 1.15 0.85 0.85 3.17 0.00 -2.06 0.11 103.07 107.15 2ret h GLY 32 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2ret h GLY 32 CO 0.06 0.22 -0.16 -1.82 0.00 0.00 0.00 176.54 174.84 2ret h TYR 33 N 0.71 0.61 -0.94 5.60 3.20 -1.98 -2.80 116.97 121.37 2ret h TYR 33 Ca 0.24 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2ret h TYR 33 Cb 0.04 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 2ret h TYR 33 CO -0.06 0.82 0.61 -0.07 -1.64 0.00 0.00 178.16 177.82 2ret h LEU 34 N 0.23 0.99 -0.10 2.82 3.38 -1.04 -1.28 115.31 120.31 2ret h LEU 34 Ca 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ret h LEU 34 Cb 0.68 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2ret h LEU 34 CO 0.04 0.66 0.05 -0.33 0.09 0.00 0.00 178.44 178.95 2ret h GLU 35 N 1.14 0.14 -0.57 1.13 5.08 -0.76 -3.12 114.58 117.61 2ret h GLU 35 Ca 0.39 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 2ret h GLU 35 Cb 0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2ret h GLU 35 CO -0.13 0.19 0.30 1.96 -1.00 0.00 0.00 179.01 180.33 2ret h GLN 36 N 0.05 0.55 0.00 2.33 1.08 -1.19 0.52 115.11 118.46 2ret h GLN 36 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ret h GLN 36 Cb 0.10 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2ret h GLN 36 CO -0.00 0.36 0.00 1.17 -0.95 0.00 0.00 178.83 179.41 2ret n LYS 37 N -4.85 0.00 0.00 1.46 4.81 -0.52 -1.12 118.16 117.94 2ret n LYS 37 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2ret n LYS 37 Cb 0.16 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.21 2ret n LYS 37 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2ret n PHE 39 N -0.11 0.00 -0.33 5.64 3.72 0.17 -1.53 117.46 125.02 2ret n PHE 39 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2ret n PHE 39 Cb 0.00 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 2ret n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ret h ALA 40 N 0.00 1.14 0.00 4.37 0.00 -1.35 -2.64 119.26 120.78 2ret h ALA 40 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ret h ALA 40 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2ret h ALA 40 CO 0.00 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2ret n ALA 41 N -2.36 1.51 0.00 0.00 0.00 -0.58 -1.47 120.51 117.61 2ret n ALA 41 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ret n ALA 41 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ret n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ret n VAL 43 N 0.91 0.00 -0.02 0.00 0.31 -1.00 -1.83 118.33 116.70 2ret n VAL 43 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2ret n VAL 43 Cb 0.03 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 2ret n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ret h ALA 44 N 0.00 0.06 -0.84 3.52 0.00 -1.55 -0.20 119.26 120.26 2ret h ALA 44 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2ret h ALA 44 Cb 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2ret h ALA 44 CO 0.00 -0.51 0.52 -0.44 0.00 0.00 0.00 179.25 178.82 2ret h ASP 45 N -0.05 0.82 -0.52 0.00 3.32 -1.64 -2.80 116.42 115.54 2ret h ASP 45 Ca 0.08 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2ret h ASP 45 Cb 0.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2ret h ASP 45 CO -0.19 0.52 -0.03 0.78 -1.72 0.00 0.00 179.24 178.61 2ret h ASN 46 N 0.95 0.96 -0.05 6.45 2.35 -1.70 -2.29 115.58 122.25 2ret h ASN 46 Ca 0.37 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2ret h ASN 46 Cb 0.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2ret h ASN 46 CO -0.17 1.03 0.04 0.00 -1.65 0.00 0.00 177.43 176.68 2ret n GLN 47 N -4.18 1.08 -0.97 0.81 1.13 -0.14 -4.80 117.38 110.32 2ret n GLN 47 Ca 0.03 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 2ret n GLN 47 Cb 0.35 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.64 2ret n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ret n ALA 49 N 1.20 -0.25 -0.77 -1.58 0.00 -0.87 -5.05 120.51 113.19 2ret n ALA 49 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2ret n ALA 49 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2ret n ALA 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ret n VAL 51 N -0.79 0.00 0.00 0.00 0.31 -1.26 -4.80 118.33 111.78 2ret n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ret n VAL 51 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 2ret n VAL 51 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ret n LEU 53 N -0.53 0.00 -3.30 7.52 4.77 -1.26 -2.44 117.00 121.76 2ret n LEU 53 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2ret n LEU 53 Cb 0.09 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2ret n LEU 53 CO 0.00 0.00 -0.26 0.21 -1.33 0.00 0.00 177.39 176.01 2ret s ASN 54 N 0.00 1.01 0.00 -1.43 3.84 -1.26 -5.00 114.94 112.10 2ret s ASN 54 Ca 0.00 -2.88 0.20 0.00 0.21 0.00 0.00 52.86 50.39 2ret s ASN 54 Cb 0.00 -0.11 0.63 0.00 -0.55 0.00 0.00 41.25 41.22 2ret s ASN 54 CO 0.00 -0.15 1.48 -0.81 -2.79 0.00 0.00 177.10 174.82 2ret n PRO 55 N 2.86 1.89 0.05 0.43 -0.04 -1.02 -3.94 135.00 135.23 2ret n PRO 55 Ca 0.28 -1.34 -0.20 0.00 -0.04 0.00 0.00 63.50 62.20 2ret n PRO 55 Cb 0.49 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 2ret n PRO 55 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2ret h LYS 56 N 2.59 0.48 -2.72 0.54 6.56 -1.94 -3.22 116.57 118.86 2ret h LYS 56 Ca 0.00 -0.61 -0.72 0.00 -1.06 0.00 0.00 60.65 58.25 2ret h LYS 56 Cb 0.57 0.20 -0.08 0.00 -0.57 0.00 0.00 32.23 32.34 2ret h LYS 56 CO 0.00 1.24 2.79 0.09 -2.06 0.00 0.00 179.45 181.51 2ret n ASN 57 N -4.03 8.23 -4.62 0.86 3.02 -1.25 -4.94 115.26 112.52 2ret n ASN 57 Ca -0.12 -3.00 -0.43 0.00 -0.03 0.00 0.00 54.58 51.00 2ret n ASN 57 Cb 0.83 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 2ret n ASN 57 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ret s LEU 58 N -1.54 3.92 0.09 3.41 1.98 -1.22 -5.02 118.68 120.30 2ret s LEU 58 Ca 0.58 0.86 0.01 0.00 -2.89 0.00 0.00 54.13 52.69 2ret s LEU 58 Cb 0.18 -3.45 -0.04 0.00 0.66 0.00 0.00 46.19 43.54 2ret s LEU 58 CO -0.09 -0.90 -0.06 -1.59 -1.89 0.00 0.00 176.35 171.83 2ret s LYS 59 N 3.65 0.78 0.07 1.98 -2.85 -1.26 -4.97 119.74 117.14 2ret s LYS 59 Ca 0.43 -1.30 -0.31 0.00 -1.00 0.00 0.00 55.97 53.80 2ret s LYS 59 Cb -0.12 -0.11 -0.09 0.00 -2.06 0.00 0.00 37.83 35.45 2ret s LYS 59 CO 0.18 -0.04 1.82 0.00 0.10 0.00 0.00 175.35 177.41 2ret s ALA 60 N -3.66 3.68 0.22 0.59 0.00 -1.26 -4.70 121.76 116.63 2ret s ALA 60 Ca 0.10 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.33 2ret s ALA 60 Cb 0.06 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2ret s ALA 60 CO -0.06 -1.32 0.25 -1.54 0.00 0.00 0.00 175.76 173.10 2ret s SER 61 N 3.22 0.08 0.10 0.00 1.04 -0.84 -4.99 113.70 112.32 2ret s SER 61 Ca 0.81 -1.23 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 2ret s SER 61 Cb -0.43 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.19 2ret s SER 61 CO 0.36 -0.95 0.44 0.54 0.98 0.00 0.00 173.24 174.61 2ret s ASN 62 N -3.11 -0.31 0.00 7.02 2.20 -1.26 -0.91 114.94 118.57 2ret s ASN 62 Ca 0.33 -0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.12 2ret s ASN 62 Cb 0.04 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.77 2ret s ASN 62 CO 0.11 -0.80 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 2ret n GLY 63 N 0.04 1.32 3.08 0.45 0.00 -0.73 -5.01 105.19 104.35 2ret n GLY 63 Ca -0.17 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 2ret n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ret s GLU 64 N 0.05 0.95 -0.06 1.61 2.02 -1.26 -1.25 118.70 120.76 2ret s GLU 64 Ca 0.00 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.51 2ret s GLU 64 Cb 0.00 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.32 2ret s GLU 64 CO 0.00 0.25 -0.07 -2.00 0.02 0.00 0.00 175.26 173.46 2ret s GLU 65 N -0.45 1.16 -0.12 1.61 2.12 0.01 -4.94 118.70 118.10 2ret s GLU 65 Ca 0.04 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 54.89 2ret s GLU 65 Cb -0.05 -1.09 -0.02 0.00 0.26 0.00 0.00 34.13 33.23 2ret s GLU 65 CO -0.00 -0.07 0.86 -2.00 -0.54 0.00 0.00 175.26 173.51 2ret s GLU 66 N 0.94 4.38 -0.18 4.30 2.56 -1.26 -0.21 118.70 129.23 2ret s GLU 66 Ca -0.10 1.12 -0.09 0.00 0.00 0.00 0.00 54.97 55.90 2ret s GLU 66 Cb -0.15 -3.53 0.07 0.00 2.00 0.00 0.00 34.13 32.52 2ret s GLU 66 CO 0.00 -0.22 0.41 -1.17 -0.56 0.00 0.00 175.26 173.73 2ret s LEU 67 N 1.74 -0.25 -1.43 2.70 0.20 -0.45 -4.91 118.68 116.27 2ret s LEU 67 Ca 0.42 0.92 -0.08 0.00 0.69 0.00 0.00 54.13 56.08 2ret s LEU 67 Cb -0.18 1.35 0.05 0.00 -0.43 0.00 0.00 46.19 46.99 2ret s LEU 67 CO 0.16 -0.20 0.91 0.00 -0.29 0.00 0.00 176.35 176.93 2ret n ALA 68 N 4.57 -1.55 -0.94 5.97 0.00 -1.26 -2.23 120.51 125.07 2ret n ALA 68 Ca -0.19 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ret n ALA 68 Cb 0.54 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2ret n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ret n GLY 69 N -1.67 0.55 3.22 0.00 0.00 -1.26 -5.00 105.19 101.02 2ret n GLY 69 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2ret n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ret s GLN 70 N -0.38 1.90 -0.14 1.61 0.74 -0.94 -5.11 119.66 117.33 2ret s GLN 70 Ca 0.00 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 54.36 2ret s GLN 70 Cb 0.00 -1.74 -0.01 0.00 1.10 0.00 0.00 33.01 32.36 2ret s GLN 70 CO 0.00 0.40 1.03 0.99 -0.55 0.00 0.00 175.29 177.16 2ret s THR 71 N -0.33 4.73 -0.08 -0.34 2.01 -1.26 -1.34 115.64 119.02 2ret s THR 71 Ca 0.04 2.02 -0.02 0.00 0.31 0.00 0.00 61.69 64.04 2ret s THR 71 Cb -0.10 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2ret s THR 71 CO 0.01 -0.05 -0.01 0.26 -0.69 0.00 0.00 174.62 174.14 2ret s TRP 72 N 2.40 3.14 -0.40 4.92 0.52 0.71 -4.85 118.94 125.38 2ret s TRP 72 Ca 0.47 0.17 -0.09 0.00 0.02 0.00 0.00 56.10 56.68 2ret s TRP 72 Cb -0.18 -1.78 0.06 0.00 -1.15 0.00 0.00 33.47 30.43 2ret s TRP 72 CO 0.14 0.45 0.22 0.71 0.02 0.00 0.00 176.95 178.50 2ret s TYR 73 N -0.87 3.32 0.15 -1.98 2.02 -0.34 -0.81 117.35 118.84 2ret s TYR 73 Ca 0.13 -1.45 0.03 0.00 -0.37 0.00 0.00 57.07 55.41 2ret s TYR 73 Cb -0.11 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 2ret s TYR 73 CO 0.02 -0.80 0.27 1.67 -1.57 0.00 0.00 175.55 175.14 2ret s TRP 74 N 1.43 3.44 -0.07 2.71 1.48 -0.38 -0.76 118.94 126.78 2ret s TRP 74 Ca 0.02 0.10 -0.04 0.00 -1.06 0.00 0.00 56.10 55.12 2ret s TRP 74 Cb -0.22 -1.64 0.04 0.00 -1.16 0.00 0.00 33.47 30.49 2ret s TRP 74 CO 0.03 0.52 0.17 0.21 -4.06 0.00 0.00 176.95 173.82 2ret s LYS 75 N -3.23 0.14 -0.17 3.25 2.20 -0.04 -1.78 119.74 120.11 2ret s LYS 75 Ca 0.34 0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 56.30 2ret s LYS 75 Cb -0.11 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2ret s LYS 75 CO 0.28 -0.14 -0.03 0.08 -0.36 0.00 0.00 175.35 175.18 2ret s VAL 76 N 1.03 3.86 -0.18 4.02 1.01 -0.08 -1.02 120.40 129.04 2ret s VAL 76 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2ret s VAL 76 Cb -0.10 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.62 2ret s VAL 76 CO -0.06 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.50 2ret s ALA 77 N 0.62 1.25 0.52 5.51 0.00 -0.01 -1.98 121.76 127.68 2ret s ALA 77 Ca -0.02 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 2ret s ALA 77 Cb -0.14 -1.14 -0.08 0.00 0.00 0.00 0.00 23.12 21.75 2ret s ALA 77 CO 0.02 -0.97 0.79 -2.30 0.00 0.00 0.00 175.76 173.31 2ret n PRO 78 N 4.95 0.86 -4.70 0.00 -0.02 -1.26 -1.16 135.00 133.68 2ret n PRO 78 Ca -0.10 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.44 2ret n PRO 78 Cb 0.47 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 2ret n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ret s VAL 79 N -1.51 1.29 0.50 -1.45 1.01 -0.67 -4.80 120.40 114.77 2ret s VAL 79 Ca 0.69 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 2ret s VAL 79 Cb -0.48 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 2ret s VAL 79 CO 0.53 0.39 1.38 0.00 0.00 0.00 0.00 175.10 177.41 2ret s ALA 80 N 0.60 3.01 0.03 5.51 0.00 -1.26 -3.76 121.76 125.89 2ret s ALA 80 Ca -0.15 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.23 2ret s ALA 80 Cb -0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2ret s ALA 80 CO 0.05 -1.28 -0.11 -0.08 0.00 0.00 0.00 175.76 174.34 2ret s THR 81 N -1.26 0.88 -0.07 0.00 -1.32 -1.26 -4.92 115.64 107.69 2ret s THR 81 Ca 0.67 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2ret s THR 81 Cb -0.42 -0.81 0.10 0.00 -1.51 0.00 0.00 72.50 69.86 2ret s THR 81 CO 0.51 -0.01 1.26 0.41 -2.21 0.00 0.00 174.62 174.59 2ret n THR 82 N 2.11 1.46 -3.61 5.08 -1.04 -1.26 -4.79 114.28 112.23 2ret n THR 82 Ca -0.17 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.05 61.40 2ret n THR 82 Cb 0.55 -1.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.05 2ret n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ret s GLN 83 N -0.50 1.03 0.11 -2.82 -2.07 -1.26 -5.05 119.66 109.10 2ret s GLN 83 Ca 0.09 -0.48 0.24 0.00 -1.82 0.00 0.00 55.36 53.38 2ret s GLN 83 Cb 0.07 0.41 0.32 0.00 -1.09 0.00 0.00 33.01 32.73 2ret s GLN 83 CO 0.01 -0.46 1.30 -0.35 -1.32 0.00 0.00 175.29 174.47 2ret n PRO 84 N -0.36 0.29 0.05 9.60 -0.04 -1.26 -4.51 135.00 138.77 2ret n PRO 84 Ca -0.08 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2ret n PRO 84 Cb 0.61 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2ret n PRO 84 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2ret h LEU 85 N 0.00 0.54 -9.21 1.53 3.38 -1.96 -3.45 115.31 106.13 2ret h LEU 85 Ca 0.00 -0.89 -0.67 0.00 0.09 0.00 0.00 57.88 56.41 2ret h LEU 85 Cb 0.74 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 2ret h LEU 85 CO 0.00 1.38 -0.71 -0.76 0.09 0.00 0.00 178.44 178.44 2ret s LEU 86 N -7.99 3.15 0.03 1.67 1.43 -1.26 -4.55 118.68 111.16 2ret s LEU 86 Ca -0.13 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2ret s LEU 86 Cb 0.02 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2ret s LEU 86 CO 0.84 0.27 0.04 -0.54 0.23 0.00 0.00 176.35 177.19 2ret s LYS 87 N -1.54 2.86 0.18 1.70 1.02 0.05 -4.82 119.74 119.19 2ret s LYS 87 Ca 0.18 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.65 2ret s LYS 87 Cb -0.11 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2ret s LYS 87 CO 0.09 0.60 -0.19 0.00 -0.92 0.00 0.00 175.35 174.93 2ret s ALA 88 N -1.22 2.68 0.01 5.17 0.00 -1.25 -0.53 121.76 126.62 2ret s ALA 88 Ca 0.24 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 2ret s ALA 88 Cb -0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 2ret s ALA 88 CO 0.15 0.46 0.13 -0.59 0.00 0.00 0.00 175.76 175.91 2ret s PHE 89 N -1.62 0.06 -0.12 0.00 -0.71 -0.33 -1.68 117.98 113.59 2ret s PHE 89 Ca 0.22 -0.19 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 2ret s PHE 89 Cb -0.08 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 2ret s PHE 89 CO 0.12 -0.30 0.09 -0.51 -1.34 0.00 0.00 175.22 173.28 2ret s ASP 90 N -1.48 5.94 -0.20 1.98 1.01 -0.31 -1.08 116.67 122.54 2ret s ASP 90 Ca -0.14 0.33 -0.03 0.00 0.71 0.00 0.00 52.55 53.41 2ret s ASP 90 Cb -0.07 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 2ret s ASP 90 CO 0.01 0.38 -0.05 -0.69 0.21 0.00 0.00 175.17 175.03 2ret s VAL 91 N -0.84 3.48 0.04 -1.27 1.01 0.83 -0.83 120.40 122.82 2ret s VAL 91 Ca 0.13 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2ret s VAL 91 Cb -0.12 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2ret s VAL 91 CO 0.03 0.45 -0.18 -0.94 0.00 0.00 0.00 175.10 174.45 2ret s SER 92 N 1.09 2.19 -0.07 3.32 1.04 -0.19 -0.92 113.70 120.17 2ret s SER 92 Ca 0.01 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2ret s SER 92 Cb -0.15 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.82 2ret s SER 92 CO -0.00 0.13 -0.04 -0.69 0.98 0.00 0.00 173.24 173.62 2ret s VAL 93 N -0.78 0.60 0.22 5.02 1.01 -0.51 -0.86 120.40 125.10 2ret s VAL 93 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2ret s VAL 93 Cb -0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2ret s VAL 93 CO 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.36 2ret s ALA 94 N 1.37 1.76 -0.04 5.51 0.00 0.06 -0.38 121.76 130.03 2ret s ALA 94 Ca -0.04 -1.71 0.28 0.00 0.00 0.00 0.00 51.96 50.49 2ret s ALA 94 Cb -0.13 0.39 0.95 0.00 0.00 0.00 0.00 23.12 24.33 2ret s ALA 94 CO -0.03 -0.21 1.83 0.00 0.00 0.00 0.00 175.76 177.35 2ret h ALA 95 N 2.53 0.99 -4.13 0.00 0.00 -1.86 -0.90 119.26 115.88 2ret h ALA 95 Ca -0.38 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 2ret h ALA 95 Cb 1.22 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2ret h ALA 95 CO 0.64 0.09 -0.24 0.25 0.00 0.00 0.00 179.25 179.99 2ret n THR 96 N -3.16 0.00 0.22 0.00 -2.24 -1.26 -4.79 114.28 103.04 2ret n THR 96 Ca 0.01 -1.71 0.11 0.00 -2.27 0.00 0.00 64.05 60.19 2ret n THR 96 Cb 0.41 0.95 0.28 0.00 -2.10 0.00 0.00 70.33 69.87 2ret n THR 96 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2ret h THR 97 N 1.85 0.26 0.07 4.28 1.35 -1.94 -3.33 112.91 115.47 2ret h THR 97 Ca -0.21 -1.17 -0.37 0.00 -0.55 0.00 0.00 66.41 64.11 2ret h THR 97 Cb 0.98 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.32 2ret h THR 97 CO 0.29 0.13 -2.14 0.00 -0.25 0.00 0.00 175.52 173.56 2ret n GLN 98 N -3.17 0.71 -1.26 4.72 6.02 -1.26 -5.02 117.38 118.13 2ret n GLN 98 Ca 0.02 0.22 -0.36 0.00 -0.01 0.00 0.00 57.00 56.87 2ret n GLN 98 Cb 0.51 -1.65 0.06 0.00 1.02 0.00 0.00 30.24 30.18 2ret n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ret n ALA 99 N -3.03 -1.79 -1.77 -1.58 0.00 -1.25 -4.96 120.51 106.13 2ret n ALA 99 Ca -0.35 -0.23 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 2ret n ALA 99 Cb 1.04 -1.78 0.01 0.00 0.00 0.00 0.00 19.45 18.71 2ret n ALA 99 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ret s SER 100 N -1.39 5.74 0.45 0.00 0.01 -1.26 -4.87 113.70 112.38 2ret s SER 100 Ca 0.64 2.28 -0.24 0.00 1.31 0.00 0.00 55.95 59.93 2ret s SER 100 Cb -0.36 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.20 2ret s SER 100 CO 0.59 -1.21 1.28 -2.16 0.41 0.00 0.00 173.24 172.16 2ret s PRO 101 N -3.11 3.71 0.15 12.44 0.04 -1.26 -4.59 135.00 142.37 2ret s PRO 101 Ca 0.71 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.77 2ret s PRO 101 Cb -0.27 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2ret s PRO 101 CO 0.31 -0.68 1.38 0.82 0.04 0.00 0.00 177.00 178.86 2ret h ILE 102 N 2.06 1.34 -3.47 0.56 1.08 -1.08 -3.46 117.51 114.53 2ret h ILE 102 Ca -0.50 -2.09 -0.23 0.00 -0.39 0.00 0.00 64.86 61.65 2ret h ILE 102 Cb 1.26 2.07 -0.29 0.00 -3.07 0.00 0.00 36.82 36.79 2ret h ILE 102 CO 0.61 0.64 -0.64 -0.51 -0.69 0.00 0.00 178.15 177.56 2ret s ILE 103 N -3.65 -0.02 -0.10 -0.67 1.10 -1.19 -5.03 121.20 111.64 2ret s ILE 103 Ca -0.07 0.07 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 2ret s ILE 103 Cb 0.10 -0.14 0.02 0.00 0.15 0.00 0.00 42.46 42.59 2ret s ILE 103 CO 0.87 0.03 -0.09 -0.89 -2.11 0.00 0.00 174.94 172.75 2ret s THR 104 N 0.46 1.06 -0.04 4.00 2.01 -1.26 -1.43 115.64 120.44 2ret s THR 104 Ca -0.03 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2ret s THR 104 Cb -0.05 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2ret s THR 104 CO -0.02 0.36 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.33 2ret s VAL 105 N 1.34 2.07 -0.10 3.82 1.01 -0.09 -4.97 120.40 123.48 2ret s VAL 105 Ca -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2ret s VAL 105 Cb -0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2ret s VAL 105 CO -0.04 0.57 -0.03 -0.60 0.00 0.00 0.00 175.10 175.00 2ret s ARG 106 N -0.33 3.10 0.06 2.72 3.52 -1.26 -0.12 118.95 126.64 2ret s ARG 106 Ca 0.01 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 2ret s ARG 106 Cb -0.12 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2ret s ARG 106 CO 0.02 0.56 -0.06 -1.12 -0.81 0.00 0.00 175.30 173.88 2ret s SER 107 N -0.49 0.83 0.01 -2.12 0.01 -0.24 -5.00 113.70 106.70 2ret s SER 107 Ca 0.08 -0.76 0.07 0.00 1.31 0.00 0.00 55.95 56.65 2ret s SER 107 Cb -0.12 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2ret s SER 107 CO 0.02 -0.36 -0.21 -0.31 0.41 0.00 0.00 173.24 172.79 2ret s TYR 108 N -2.49 1.87 0.05 2.43 2.02 -1.26 -1.19 117.35 118.79 2ret s TYR 108 Ca -0.01 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2ret s TYR 108 Cb -0.02 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2ret s TYR 108 CO -0.03 0.03 -0.21 0.08 -1.57 0.00 0.00 175.55 173.85 2ret s VAL 109 N -0.64 1.70 -2.00 0.71 1.01 0.31 -4.97 120.40 116.52 2ret s VAL 109 Ca 0.08 -1.26 0.10 0.00 0.00 0.00 0.00 61.98 60.90 2ret s VAL 109 Cb -0.08 -1.49 0.28 0.00 0.00 0.00 0.00 36.38 35.09 2ret s VAL 109 CO 0.00 0.17 1.04 0.00 0.00 0.00 0.00 175.10 176.31