#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 1.28 -0.54 1.08 3.04 -2.06 -2.52 116.25 116.53 2ret h VAL 31 Ca 0.00 -1.30 0.08 0.00 -1.01 0.00 0.00 66.70 64.47 2ret h VAL 31 Cb 0.00 1.25 -0.07 0.00 -2.01 0.00 0.00 31.29 30.46 2ret h VAL 31 CO 0.00 0.44 0.18 1.23 -1.01 0.00 0.00 177.57 178.40 2ret h GLY 32 N 0.66 0.72 0.79 3.17 0.00 -2.06 0.83 103.07 107.18 2ret h GLY 32 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.38 2ret h GLY 32 CO 0.05 -0.02 0.40 -1.82 0.00 0.00 0.00 176.54 175.15 2ret h TYR 33 N 0.34 0.75 -0.05 5.60 3.20 -1.99 -2.39 116.97 122.43 2ret h TYR 33 Ca 0.27 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 2ret h TYR 33 Cb 0.32 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2ret h TYR 33 CO -0.18 0.40 -0.72 -0.07 -1.64 0.00 0.00 178.16 175.95 2ret h LEU 34 N 0.77 0.35 -0.13 2.82 3.38 -0.86 -2.45 115.31 119.19 2ret h LEU 34 Ca 0.28 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2ret h LEU 34 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2ret h LEU 34 CO -0.14 0.96 0.00 -0.33 0.09 0.00 0.00 178.44 179.02 2ret h GLU 35 N 0.20 0.05 -0.71 1.13 5.08 -0.76 -3.17 114.58 116.39 2ret h GLU 35 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ret h GLU 35 Cb 1.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2ret h GLU 35 CO 0.12 0.03 0.37 1.96 -1.00 0.00 0.00 179.01 180.49 2ret h GLN 36 N 0.05 1.01 -0.04 2.33 1.08 -1.20 -0.92 115.11 117.42 2ret h GLN 36 Ca 0.06 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2ret h GLN 36 Cb 0.07 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2ret h GLN 36 CO -0.10 0.77 0.00 1.17 -0.95 0.00 0.00 178.83 179.72 2ret n LYS 37 N -4.46 0.07 0.00 1.46 4.81 -0.94 -1.37 118.16 117.72 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 0.11 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.14 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 0.04 0.00 -0.33 5.64 3.72 -0.35 -1.93 117.46 124.26 2ret n PHE 39 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2ret n PHE 39 Cb 0.01 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.20 0.00 4.37 0.00 -1.45 -2.65 119.26 120.73 2ret h ALA 40 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ret h ALA 40 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2ret h ALA 40 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2ret n ALA 41 N -2.35 1.60 0.00 0.00 0.00 -0.81 -1.17 120.51 117.78 2ret n ALA 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2ret n ALA 41 Cb 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.01 0.00 -0.02 0.00 0.31 -1.00 -2.14 118.33 116.49 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 0.05 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.03 -0.96 3.52 0.00 -1.43 -1.27 119.26 119.09 2ret h ALA 44 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2ret h ALA 44 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2ret h ALA 44 CO 0.00 -0.59 0.62 -0.44 0.00 0.00 0.00 179.25 178.84 2ret h ASP 45 N -0.16 1.01 -0.55 0.00 3.32 -1.71 -2.89 116.42 115.43 2ret h ASP 45 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2ret h ASP 45 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2ret h ASP 45 CO -0.28 0.66 0.13 0.78 -1.72 0.00 0.00 179.24 178.81 2ret h ASN 46 N 1.16 0.83 0.00 6.45 2.35 -1.72 -2.33 115.58 122.31 2ret h ASN 46 Ca 0.41 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2ret h ASN 46 Cb 0.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2ret h ASN 46 CO -0.16 0.85 0.00 0.00 -1.65 0.00 0.00 177.43 176.47 2ret n GLN 47 N -4.41 0.76 -0.88 0.81 1.13 -0.52 -4.80 117.38 109.47 2ret n GLN 47 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2ret n GLN 47 Cb 0.23 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 1.09 -0.10 -0.86 -1.58 0.00 -0.88 -5.04 120.51 113.15 2ret n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ret n ALA 49 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.86 0.00 0.00 0.00 0.31 -1.26 -4.81 118.33 111.71 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 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 -0.60 0.00 -3.20 7.52 4.77 -1.26 -2.72 117.00 121.51 2ret n LEU 53 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2ret n LEU 53 Cb 0.10 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2ret n LEU 53 CO 0.00 0.00 -0.18 0.21 -1.33 0.00 0.00 177.39 176.09 2ret s ASN 54 N 0.00 0.52 0.13 -1.43 3.84 -1.26 -5.01 114.94 111.73 2ret s ASN 54 Ca 0.00 -2.64 0.21 0.00 0.21 0.00 0.00 52.86 50.64 2ret s ASN 54 Cb 0.00 0.30 -0.07 0.00 -0.55 0.00 0.00 41.25 40.93 2ret s ASN 54 CO 0.00 -0.13 0.92 -0.81 -2.79 0.00 0.00 177.10 174.28 2ret n PRO 55 N 2.90 0.62 -0.16 0.43 -0.04 -1.10 -3.77 135.00 133.87 2ret n PRO 55 Ca 0.26 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 2ret n PRO 55 Cb 0.50 -1.80 0.42 0.00 -0.04 0.00 0.00 33.50 32.59 2ret n PRO 55 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2ret h LYS 56 N 0.00 0.58 -2.00 0.54 3.64 -1.95 -2.44 116.57 114.94 2ret h LYS 56 Ca -0.06 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.01 2ret h LYS 56 Cb 1.21 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 2ret h LYS 56 CO 0.02 0.38 -0.17 0.09 -2.27 0.00 0.00 179.45 177.50 2ret n ASN 57 N -4.49 5.58 -4.53 4.20 3.02 -1.25 -4.91 115.26 112.89 2ret n ASN 57 Ca 0.12 -2.68 -0.42 0.00 -0.03 0.00 0.00 54.58 51.57 2ret n ASN 57 Cb 0.34 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.11 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 -0.60 3.51 0.11 3.41 1.98 -0.92 -4.96 118.68 121.21 2ret s LEU 58 Ca 0.64 -0.53 0.03 0.00 -2.89 0.00 0.00 54.13 51.38 2ret s LEU 58 Cb 0.33 -2.58 -0.04 0.00 0.66 0.00 0.00 46.19 44.56 2ret s LEU 58 CO -0.06 -1.69 -0.08 -1.59 -1.89 0.00 0.00 176.35 171.03 2ret s LYS 59 N 5.21 0.89 0.23 1.98 -2.85 -1.26 -4.92 119.74 119.01 2ret s LYS 59 Ca 0.32 -1.31 -0.31 0.00 -1.00 0.00 0.00 55.97 53.67 2ret s LYS 59 Cb -0.10 -0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 35.17 2ret s LYS 59 CO 0.15 0.03 1.53 0.00 0.10 0.00 0.00 175.35 177.16 2ret s ALA 60 N -3.23 3.72 0.24 0.59 0.00 -1.26 -4.78 121.76 117.03 2ret s ALA 60 Ca 0.11 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 2ret s ALA 60 Cb 0.02 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2ret s ALA 60 CO -0.02 -0.82 0.30 -1.54 0.00 0.00 0.00 175.76 173.69 2ret s SER 61 N 0.67 0.21 0.02 0.00 1.04 -0.99 -5.01 113.70 109.65 2ret s SER 61 Ca 0.64 -1.24 -0.28 0.00 0.48 0.00 0.00 55.95 55.55 2ret s SER 61 Cb -0.44 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.25 2ret s SER 61 CO 0.40 -1.01 0.66 0.54 0.98 0.00 0.00 173.24 174.81 2ret s ASN 62 N -3.13 -0.62 0.00 7.02 2.20 -1.26 -0.40 114.94 118.76 2ret s ASN 62 Ca 0.32 0.45 0.00 0.00 -0.94 0.00 0.00 52.86 52.69 2ret s ASN 62 Cb 0.03 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.83 2ret s ASN 62 CO 0.13 -0.73 0.00 0.61 -2.94 0.00 0.00 177.10 174.17 2ret n GLY 63 N 0.43 1.72 3.14 0.45 0.00 -0.71 -5.00 105.19 105.23 2ret n GLY 63 Ca -0.18 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 1.12 0.99 -0.03 1.61 2.02 -1.26 -0.95 118.70 122.20 2ret s GLU 64 Ca 0.00 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 2ret s GLU 64 Cb 0.00 -0.99 0.03 0.00 0.10 0.00 0.00 34.13 33.27 2ret s GLU 64 CO 0.00 0.25 0.03 -2.00 0.02 0.00 0.00 175.26 173.56 2ret s GLU 65 N -1.01 0.00 -0.05 1.61 2.12 -0.40 -4.96 118.70 116.01 2ret s GLU 65 Ca 0.02 0.21 -0.21 0.00 0.36 0.00 0.00 54.97 55.36 2ret s GLU 65 Cb -0.07 -0.34 -0.05 0.00 0.26 0.00 0.00 34.13 33.93 2ret s GLU 65 CO 0.01 -0.20 0.59 -2.00 -0.54 0.00 0.00 175.26 173.12 2ret s GLU 66 N 1.31 4.35 -0.20 4.30 2.12 -1.26 0.02 118.70 129.34 2ret s GLU 66 Ca -0.06 0.70 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 2ret s GLU 66 Cb -0.13 -3.39 0.06 0.00 0.26 0.00 0.00 34.13 30.93 2ret s GLU 66 CO -0.03 0.24 0.50 -1.17 -0.54 0.00 0.00 175.26 174.26 2ret s LEU 67 N 0.27 -0.33 -1.34 2.70 0.20 -0.58 -4.89 118.68 114.71 2ret s LEU 67 Ca 0.31 1.08 -0.10 0.00 0.69 0.00 0.00 54.13 56.12 2ret s LEU 67 Cb -0.17 1.67 0.07 0.00 -0.43 0.00 0.00 46.19 47.33 2ret s LEU 67 CO 0.16 -0.21 0.53 0.00 -0.29 0.00 0.00 176.35 176.55 2ret n ALA 68 N 4.18 -1.07 -0.57 5.97 0.00 -1.26 -2.02 120.51 125.73 2ret n ALA 68 Ca -0.22 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2ret n ALA 68 Cb 0.56 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.03 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 -1.24 0.77 3.24 0.00 0.00 -1.26 -5.03 105.19 101.67 2ret n GLY 69 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 2.05 -0.18 1.61 0.74 -0.86 -5.10 119.66 117.49 2ret s GLN 70 Ca 0.00 -0.81 -0.24 0.00 0.05 0.00 0.00 55.36 54.36 2ret s GLN 70 Cb 0.00 -1.86 -0.02 0.00 1.10 0.00 0.00 33.01 32.23 2ret s GLN 70 CO 0.00 0.42 0.76 0.99 -0.55 0.00 0.00 175.29 176.91 2ret s THR 71 N -0.33 4.93 0.03 -0.34 2.01 -1.26 -1.53 115.64 119.15 2ret s THR 71 Ca 0.03 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.52 2ret s THR 71 Cb -0.11 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2ret s THR 71 CO 0.01 0.06 0.01 0.26 -0.69 0.00 0.00 174.62 174.27 2ret s TRP 72 N 2.07 3.08 -0.34 4.92 0.52 0.10 -4.86 118.94 124.44 2ret s TRP 72 Ca 0.35 0.06 -0.06 0.00 0.02 0.00 0.00 56.10 56.47 2ret s TRP 72 Cb -0.16 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.57 2ret s TRP 72 CO 0.12 0.48 0.10 0.71 0.02 0.00 0.00 176.95 178.37 2ret s TYR 73 N -1.18 3.27 0.18 -1.98 2.02 -0.49 -1.28 117.35 117.88 2ret s TYR 73 Ca 0.22 -1.51 0.04 0.00 -0.37 0.00 0.00 57.07 55.46 2ret s TYR 73 Cb -0.12 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2ret s TYR 73 CO 0.14 -0.75 0.23 1.67 -1.57 0.00 0.00 175.55 175.27 2ret s TRP 74 N 1.38 3.32 -0.02 2.71 1.48 -0.13 -1.99 118.94 125.69 2ret s TRP 74 Ca -0.02 0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.05 2ret s TRP 74 Cb -0.20 -1.57 0.02 0.00 -1.16 0.00 0.00 33.47 30.57 2ret s TRP 74 CO 0.02 0.51 0.01 0.21 -4.06 0.00 0.00 176.95 173.63 2ret s LYS 75 N -3.37 0.14 -0.17 3.25 2.20 0.08 -1.73 119.74 120.14 2ret s LYS 75 Ca 0.33 0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.98 2ret s LYS 75 Cb -0.10 -0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 35.90 2ret s LYS 75 CO 0.26 -0.10 -0.05 0.08 -0.36 0.00 0.00 175.35 175.19 2ret s VAL 76 N 0.74 3.70 -0.17 4.02 1.01 0.46 -1.13 120.40 129.03 2ret s VAL 76 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2ret s VAL 76 Cb -0.10 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.70 2ret s VAL 76 CO -0.02 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.57 2ret s ALA 77 N 0.61 1.11 0.63 5.51 0.00 0.30 -2.34 121.76 127.57 2ret s ALA 77 Ca -0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 2ret s ALA 77 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2ret s ALA 77 CO 0.03 -0.98 1.13 -2.30 0.00 0.00 0.00 175.76 173.63 2ret n PRO 78 N 5.01 0.99 -4.00 0.00 -0.02 -1.26 -0.36 135.00 135.35 2ret n PRO 78 Ca -0.09 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 2ret n PRO 78 Cb 0.47 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.45 1.61 0.43 -1.45 1.01 -0.64 -4.80 120.40 115.11 2ret s VAL 79 Ca 0.80 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2ret s VAL 79 Cb -0.39 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.23 2ret s VAL 79 CO 0.43 0.25 0.63 0.00 0.00 0.00 0.00 175.10 176.41 2ret n ALA 80 N 4.71 -1.18 -2.72 5.51 0.00 -1.26 -4.17 120.51 121.41 2ret n ALA 80 Ca -0.15 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2ret n ALA 80 Cb 0.48 -1.83 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 2ret n ALA 80 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2ret s THR 81 N -1.45 0.58 -0.76 0.00 -1.32 -1.26 -4.97 115.64 106.46 2ret s THR 81 Ca 0.64 -1.26 0.21 0.00 -1.21 0.00 0.00 61.69 60.07 2ret s THR 81 Cb -0.58 -0.84 -0.26 0.00 -1.51 0.00 0.00 72.50 69.31 2ret s THR 81 CO 0.57 -0.48 0.80 0.41 -2.21 0.00 0.00 174.62 173.71 2ret n THR 82 N 1.15 0.00 -4.43 5.08 -1.04 -1.26 -4.99 114.28 108.79 2ret n THR 82 Ca -0.21 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.05 61.43 2ret n THR 82 Cb 0.56 0.75 -0.09 0.00 -1.82 0.00 0.00 70.33 69.72 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 -3.13 1.95 0.00 -2.82 -2.07 -1.26 -5.06 119.66 107.27 2ret s GLN 83 Ca 0.04 -1.82 0.25 0.00 -1.82 0.00 0.00 55.36 52.01 2ret s GLN 83 Cb 0.15 -1.83 0.49 0.00 -1.09 0.00 0.00 33.01 30.73 2ret s GLN 83 CO 0.88 0.16 1.41 -0.35 -1.32 0.00 0.00 175.29 176.07 2ret n PRO 84 N -0.86 1.50 -0.05 9.60 -0.04 -1.26 -4.53 135.00 139.37 2ret n PRO 84 Ca -0.05 -1.10 -0.20 0.00 -0.04 0.00 0.00 63.50 62.11 2ret n PRO 84 Cb 0.63 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 2ret n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ret n LEU 85 N 0.21 2.71 -4.42 1.53 4.77 -1.26 -4.83 117.00 115.71 2ret n LEU 85 Ca 0.13 0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 2ret n LEU 85 Cb 0.44 -1.04 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 2ret n LEU 85 CO 0.22 0.86 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.96 2ret s LEU 86 N -6.91 2.90 0.26 2.23 1.43 -1.26 -2.27 118.68 115.06 2ret s LEU 86 Ca -0.27 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2ret s LEU 86 Cb 0.08 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 2ret s LEU 86 CO 0.70 0.18 0.55 -0.54 0.23 0.00 0.00 176.35 177.47 2ret s LYS 87 N 0.26 3.72 0.11 1.70 1.02 -0.01 -4.86 119.74 121.67 2ret s LYS 87 Ca -0.07 0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.12 2ret s LYS 87 Cb -0.15 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2ret s LYS 87 CO 0.04 0.27 -0.12 0.00 -0.92 0.00 0.00 175.35 174.62 2ret s ALA 88 N -1.94 1.30 -0.07 5.17 0.00 -1.26 -0.34 121.76 124.62 2ret s ALA 88 Ca 0.46 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 2ret s ALA 88 Cb -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.04 2ret s ALA 88 CO 0.25 0.03 0.50 -0.59 0.00 0.00 0.00 175.76 175.95 2ret s PHE 89 N -2.30 -0.45 -0.12 0.00 -0.71 -0.27 -1.62 117.98 112.52 2ret s PHE 89 Ca 0.07 0.84 -0.06 0.00 -1.04 0.00 0.00 56.93 56.74 2ret s PHE 89 Cb -0.04 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 2ret s PHE 89 CO 0.02 -0.45 0.09 -0.51 -1.34 0.00 0.00 175.22 173.02 2ret s ASP 90 N -0.94 5.93 -0.21 1.98 1.01 0.51 -0.57 116.67 124.38 2ret s ASP 90 Ca -0.10 0.30 -0.03 0.00 0.71 0.00 0.00 52.55 53.44 2ret s ASP 90 Cb -0.03 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2ret s ASP 90 CO 0.06 0.36 -0.06 -0.69 0.21 0.00 0.00 175.17 175.04 2ret s VAL 91 N -0.72 3.22 0.05 -1.27 1.01 0.16 -0.54 120.40 122.32 2ret s VAL 91 Ca 0.12 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.64 2ret s VAL 91 Cb -0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2ret s VAL 91 CO 0.03 0.44 -0.25 -0.94 0.00 0.00 0.00 175.10 174.38 2ret s SER 92 N 1.37 2.97 -0.04 3.32 1.04 -0.29 -1.09 113.70 120.97 2ret s SER 92 Ca 0.04 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2ret s SER 92 Cb -0.14 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.74 2ret s SER 92 CO -0.04 0.22 -0.07 -0.69 0.98 0.00 0.00 173.24 173.64 2ret s VAL 93 N -0.84 0.71 0.09 5.02 1.01 -0.47 -0.74 120.40 125.18 2ret s VAL 93 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2ret s VAL 93 Cb -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2ret s VAL 93 CO 0.02 0.25 0.04 0.00 0.00 0.00 0.00 175.10 175.42 2ret s ALA 94 N 0.67 0.49 -0.59 5.51 0.00 -0.84 0.10 121.76 127.09 2ret s ALA 94 Ca -0.10 -1.19 0.25 0.00 0.00 0.00 0.00 51.96 50.91 2ret s ALA 94 Cb -0.13 0.51 0.54 0.00 0.00 0.00 0.00 23.12 24.04 2ret s ALA 94 CO 0.01 -0.44 1.61 0.00 0.00 0.00 0.00 175.76 176.94 2ret h ALA 95 N 2.98 0.91 -2.69 0.00 0.00 -1.87 -1.31 119.26 117.28 2ret h ALA 95 Ca -0.34 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2ret h ALA 95 Cb 1.17 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 2ret h ALA 95 CO 0.62 0.00 -0.40 0.95 0.00 0.00 0.00 179.25 180.41 2ret s THR 96 N -3.16 0.00 0.21 0.00 -4.23 -1.26 -4.81 115.64 102.38 2ret s THR 96 Ca 0.08 -1.74 0.33 0.00 -1.18 0.00 0.00 61.69 59.18 2ret s THR 96 Cb 0.10 -2.37 0.37 0.00 1.34 0.00 0.00 72.50 71.94 2ret s THR 96 CO 0.65 -0.00 2.02 0.71 -0.54 0.00 0.00 174.62 177.45 2ret h THR 97 N 2.46 0.14 0.11 3.99 1.35 -1.93 -2.92 112.91 116.12 2ret h THR 97 Ca -0.32 -0.54 -0.36 0.00 -0.55 0.00 0.00 66.41 64.64 2ret h THR 97 Cb 1.25 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 2ret h THR 97 CO 0.45 0.05 -2.00 0.00 -0.25 0.00 0.00 175.52 173.76 2ret n GLN 98 N -3.19 0.74 -1.56 4.72 6.02 -1.26 -5.03 117.38 117.82 2ret n GLN 98 Ca -0.00 0.26 -0.38 0.00 -0.01 0.00 0.00 57.00 56.87 2ret n GLN 98 Cb 0.29 -1.70 0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.97 -0.31 -1.76 -1.58 0.00 -1.10 -4.93 120.51 107.85 2ret n ALA 99 Ca -0.31 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 2ret n ALA 99 Cb 1.05 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.25 5.89 0.46 0.00 0.01 -1.26 -4.83 113.70 112.72 2ret s SER 100 Ca 0.74 2.69 -0.24 0.00 1.31 0.00 0.00 55.95 60.45 2ret s SER 100 Cb -0.42 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.10 2ret s SER 100 CO 0.49 -1.14 1.25 -2.16 0.41 0.00 0.00 173.24 172.09 2ret s PRO 101 N -2.55 3.67 0.11 12.44 0.04 -1.26 -4.65 135.00 142.80 2ret s PRO 101 Ca 0.63 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 2ret s PRO 101 Cb -0.38 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2ret s PRO 101 CO 0.48 -0.69 1.51 0.82 0.04 0.00 0.00 177.00 179.16 2ret h ILE 102 N 1.95 1.28 -3.60 0.56 1.08 -0.70 -3.46 117.51 114.61 2ret h ILE 102 Ca -0.50 -1.17 -0.21 0.00 -0.39 0.00 0.00 64.86 62.60 2ret h ILE 102 Cb 1.26 1.30 -0.27 0.00 -3.07 0.00 0.00 36.82 36.04 2ret h ILE 102 CO 0.60 0.38 -0.64 -0.51 -0.69 0.00 0.00 178.15 177.30 2ret s ILE 103 N -4.77 0.01 -0.07 -0.67 1.10 -1.12 -5.03 121.20 110.66 2ret s ILE 103 Ca -0.13 -0.11 0.02 0.00 -0.51 0.00 0.00 60.65 59.92 2ret s ILE 103 Cb 0.09 -0.13 0.02 0.00 0.15 0.00 0.00 42.46 42.59 2ret s ILE 103 CO 0.80 -0.06 -0.10 -0.89 -2.11 0.00 0.00 174.94 172.58 2ret s THR 104 N -0.16 1.00 -0.09 4.00 2.01 -1.26 -1.37 115.64 119.77 2ret s THR 104 Ca -0.02 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.63 2ret s THR 104 Cb -0.02 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2ret s THR 104 CO 0.00 0.33 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.39 2ret s VAL 105 N 0.88 1.64 -0.16 3.82 1.01 -0.25 -4.98 120.40 122.36 2ret s VAL 105 Ca -0.11 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2ret s VAL 105 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2ret s VAL 105 CO 0.01 0.47 0.13 -0.60 0.00 0.00 0.00 175.10 175.11 2ret s ARG 106 N 0.58 3.82 0.10 2.72 3.52 -1.26 -0.66 118.95 127.76 2ret s ARG 106 Ca -0.15 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 2ret s ARG 106 Cb -0.17 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2ret s ARG 106 CO 0.05 0.52 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.82 2ret s SER 107 N -0.29 1.70 0.03 -2.12 0.01 0.27 -4.99 113.70 108.31 2ret s SER 107 Ca 0.11 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 56.70 2ret s SER 107 Cb -0.12 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2ret s SER 107 CO 0.01 -0.17 -0.26 -0.31 0.41 0.00 0.00 173.24 172.91 2ret s TYR 108 N -2.03 2.33 0.01 2.43 2.02 -1.26 -1.11 117.35 119.74 2ret s TYR 108 Ca 0.05 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 2ret s TYR 108 Cb -0.05 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2ret s TYR 108 CO 0.02 0.10 -0.16 0.08 -1.57 0.00 0.00 175.55 174.01 2ret s VAL 109 N -0.77 1.29 0.57 0.71 1.01 0.53 -4.99 120.40 118.76 2ret s VAL 109 Ca 0.11 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 2ret s VAL 109 Cb -0.10 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2ret s VAL 109 CO 0.02 0.23 1.04 0.00 0.00 0.00 0.00 175.10 176.39 2ret s ALA 110 N -0.58 2.84 -2.47 5.51 0.00 -1.26 -0.83 121.76 124.97 2ret s ALA 110 Ca 0.05 0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.53 2ret s ALA 110 Cb -0.07 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 20.01 2ret s ALA 110 CO 0.00 -0.64 1.12 0.43 0.00 0.00 0.00 175.76 176.67