#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bse n ILE 4 N 0.00 -0.11 -2.24 1.34 -0.00 -1.26 -4.32 119.36 112.77 1bse n ILE 4 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1bse n ILE 4 Cb 0.00 -1.39 -0.01 0.00 -0.00 0.00 0.00 39.64 38.24 1bse n ILE 4 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1bse n ASN 5 N 1.93 0.28 -4.98 7.28 6.94 -1.26 -4.77 115.26 120.68 1bse n ASN 5 Ca 0.00 -1.91 -0.20 0.00 -0.02 0.00 0.00 54.58 52.45 1bse n ASN 5 Cb 0.00 -0.12 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 1bse n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bse s THR 6 N 0.00 4.77 0.10 5.53 -4.23 -1.26 0.04 115.64 120.60 1bse s THR 6 Ca 0.17 -0.99 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 1bse s THR 6 Cb 0.19 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 1bse s THR 6 CO -0.08 -0.26 1.54 -0.26 -0.54 0.00 0.00 174.62 175.02 1bse h PHE 7 N 1.05 0.64 0.02 3.99 0.04 -1.98 0.73 116.94 121.43 1bse h PHE 7 Ca -0.49 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.16 1bse h PHE 7 Cb 1.24 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1bse h PHE 7 CO 0.44 0.71 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.41 1bse h ASP 8 N 0.38 -0.03 -0.78 2.17 3.32 -1.98 -0.39 116.42 119.11 1bse h ASP 8 Ca 0.09 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1bse h ASP 8 Cb 0.46 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1bse h ASP 8 CO 0.02 0.11 0.48 1.23 -1.72 0.00 0.00 179.24 179.35 1bse h GLY 9 N -0.16 1.15 0.49 2.75 0.00 -1.95 0.38 103.07 105.73 1bse h GLY 9 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1bse h GLY 9 CO 0.01 0.25 -0.25 -2.08 0.00 0.00 0.00 176.54 174.47 1bse h VAL 10 N 0.89 1.52 -0.62 4.60 2.07 -0.83 -3.03 116.25 120.85 1bse h VAL 10 Ca 0.33 -1.87 0.13 0.00 0.82 0.00 0.00 66.70 66.11 1bse h VAL 10 Cb 0.12 2.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.45 1bse h VAL 10 CO -0.16 0.51 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 1bse h ALA 11 N 0.30 0.58 -0.50 1.67 0.00 -0.59 -0.57 119.26 120.14 1bse h ALA 11 Ca -0.03 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1bse h ALA 11 Cb 0.97 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1bse h ALA 11 CO 0.05 -0.40 0.03 -0.44 0.00 0.00 0.00 179.25 178.49 1bse h ASP 12 N 0.10 0.78 0.21 0.00 3.32 -0.37 -2.47 116.42 117.98 1bse h ASP 12 Ca 0.32 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1bse h ASP 12 Cb 0.52 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1bse h ASP 12 CO -0.55 0.83 -0.10 0.22 -1.72 0.00 0.00 179.24 177.92 1bse h TYR 13 N 0.77 -0.26 -0.49 4.55 3.20 -1.25 -2.48 116.97 121.01 1bse h TYR 13 Ca 0.15 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1bse h TYR 13 Cb 0.42 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1bse h TYR 13 CO 0.02 -0.13 0.27 -0.07 -1.64 0.00 0.00 178.16 176.62 1bse h LEU 14 N -0.33 0.42 -0.55 2.82 3.38 -1.12 0.95 115.31 120.88 1bse h LEU 14 Ca -0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1bse h LEU 14 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1bse h LEU 14 CO 0.05 0.30 -0.00 1.56 0.09 0.00 0.00 178.44 180.43 1bse h GLN 15 N 0.54 0.98 0.33 1.13 4.20 -1.32 0.69 115.11 121.67 1bse h GLN 15 Ca 0.20 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1bse h GLN 15 Cb 0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1bse h GLN 15 CO -0.11 0.99 -0.16 1.15 -0.67 0.00 0.00 178.83 180.02 1bse h THR 16 N 0.86 0.00 -0.00 -0.54 2.02 -1.34 -3.38 112.91 110.52 1bse h THR 16 Ca 0.16 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1bse h THR 16 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1bse h THR 16 CO 0.03 0.00 -0.59 -1.22 0.37 0.00 0.00 175.52 174.11 1bse n TYR 17 N -4.76 0.00 -2.96 3.16 4.01 0.33 -4.97 117.16 111.97 1bse n TYR 17 Ca -0.06 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.46 1bse n TYR 17 Cb 0.18 -0.16 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1bse n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bse n HIS 18 N -1.30 -1.89 -3.58 -0.72 8.25 0.24 -4.96 115.22 111.26 1bse n HIS 18 Ca 0.06 0.48 -0.07 0.00 -0.26 0.00 0.00 57.72 57.93 1bse n HIS 18 Cb 0.34 -4.48 -0.02 0.00 1.12 0.00 0.00 29.99 26.96 1bse n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bse s LYS 19 N -5.64 1.04 0.64 -0.41 -2.85 -1.25 -5.05 119.74 106.22 1bse s LYS 19 Ca 0.28 -0.46 -0.11 0.00 -1.00 0.00 0.00 55.97 54.68 1bse s LYS 19 Cb -0.12 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.05 1bse s LYS 19 CO 0.34 -0.46 1.04 -0.51 0.10 0.00 0.00 175.35 175.86 1bse s LEU 20 N -2.67 3.19 0.88 2.77 1.43 -1.26 -4.02 118.68 118.99 1bse s LEU 20 Ca 0.07 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 1bse s LEU 20 Cb -0.01 -4.45 0.12 0.00 0.03 0.00 0.00 46.19 41.87 1bse s LEU 20 CO -0.06 -1.05 1.10 -2.84 0.23 0.00 0.00 176.35 173.74 1bse s PRO 21 N -5.15 1.38 0.26 1.29 0.02 -1.26 -4.97 135.00 126.56 1bse s PRO 21 Ca 0.56 1.19 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 1bse s PRO 21 Cb -0.12 -1.79 0.45 0.00 0.02 0.00 0.00 34.50 33.06 1bse s PRO 21 CO 0.54 -2.26 1.83 -0.44 -0.33 0.00 0.00 177.00 176.33 1bse h ASP 22 N -1.58 0.80 0.00 2.53 3.32 -1.94 -3.01 116.42 116.54 1bse h ASP 22 Ca -0.46 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1bse h ASP 22 Cb 1.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1bse h ASP 22 CO 0.49 0.45 0.00 -0.46 -1.72 0.00 0.00 179.24 178.00 1bse n ASN 23 N -4.67 1.49 -4.50 6.45 6.94 -1.26 -4.83 115.26 114.88 1bse n ASN 23 Ca 0.16 -1.38 -0.30 0.00 -0.02 0.00 0.00 54.58 53.03 1bse n ASN 23 Cb 0.29 -0.35 -0.11 0.00 -2.36 0.00 0.00 39.78 37.25 1bse n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bse s TYR 24 N -0.25 2.60 -0.01 -2.53 1.51 -1.14 -1.13 117.35 116.40 1bse s TYR 24 Ca 0.00 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 55.70 1bse s TYR 24 Cb 0.00 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1bse s TYR 24 CO 0.00 0.35 0.28 0.96 -1.11 0.00 0.00 175.55 176.03 1bse s ILE 25 N -1.08 0.06 0.85 2.71 -4.36 -1.11 -4.90 121.20 113.37 1bse s ILE 25 Ca 0.17 -0.51 -0.13 0.00 -0.26 0.00 0.00 60.65 59.93 1bse s ILE 25 Cb -0.11 -0.58 0.11 0.00 1.25 0.00 0.00 42.46 43.13 1bse s ILE 25 CO 0.09 -0.28 1.20 0.42 0.24 0.00 0.00 174.94 176.61 1bse s THR 26 N -1.33 2.00 0.46 8.37 -4.23 -1.09 -1.55 115.64 118.26 1bse s THR 26 Ca -0.14 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1bse s THR 26 Cb -0.06 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.06 1bse s THR 26 CO 0.04 0.00 2.09 0.11 -0.54 0.00 0.00 174.62 176.32 1bse h LYS 27 N -1.20 0.25 0.00 3.99 1.57 -1.97 -1.22 116.57 117.99 1bse h LYS 27 Ca -0.46 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.19 1bse h LYS 27 Cb 1.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1bse h LYS 27 CO 0.61 0.19 -0.68 0.66 -0.57 0.00 0.00 179.45 179.65 1bse h SER 28 N 0.26 0.00 -0.05 0.86 4.64 -1.98 -1.56 113.55 115.71 1bse h SER 28 Ca 0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1bse h SER 28 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1bse h SER 28 CO -0.01 0.50 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.97 1bse h GLU 29 N 0.00 0.20 -0.27 4.77 5.08 -1.73 -1.05 114.58 121.58 1bse h GLU 29 Ca -0.03 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1bse h GLU 29 Cb 1.41 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 1bse h GLU 29 CO 0.06 0.76 -0.09 0.00 -1.00 0.00 0.00 179.01 178.75 1bse h ALA 30 N 0.43 0.15 -0.41 3.43 0.00 -1.29 -0.87 119.26 120.71 1bse h ALA 30 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1bse h ALA 30 Cb 0.78 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bse h ALA 30 CO 0.03 -0.49 0.27 -0.56 0.00 0.00 0.00 179.25 178.50 1bse h GLN 31 N -0.03 0.51 -0.34 0.00 -0.00 -1.25 -1.22 115.11 112.78 1bse h GLN 31 Ca 0.13 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.64 1bse h GLN 31 Cb 0.23 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 1bse h GLN 31 CO -0.29 0.34 -0.25 0.00 -0.00 0.00 0.00 178.83 178.63 1bse h ALA 32 N 1.75 0.93 0.00 0.06 0.00 0.18 -3.04 119.26 119.14 1bse h ALA 32 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bse h ALA 32 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bse h ALA 32 CO -0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1bse n LEU 33 N -4.11 0.00 0.00 0.00 4.77 -0.54 -4.90 117.00 112.23 1bse n LEU 33 Ca -0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1bse n LEU 33 Cb 0.43 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bse n LEU 33 CO 0.44 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1bse n GLY 34 N -0.02 0.92 3.71 -0.72 0.00 -1.00 -4.89 105.19 103.20 1bse n GLY 34 Ca 0.07 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1bse n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bse s TRP 35 N -2.00 3.69 -0.29 1.61 -0.00 -0.71 -4.86 118.94 116.38 1bse s TRP 35 Ca 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 1bse s TRP 35 Cb 0.00 -3.11 0.09 0.00 -0.00 0.00 0.00 33.47 30.44 1bse s TRP 35 CO 0.00 -0.00 0.05 0.08 -0.00 0.00 0.00 176.95 177.08 1bse s VAL 36 N 0.75 1.23 0.16 5.86 1.01 -1.26 -4.39 120.40 123.76 1bse s VAL 36 Ca 0.51 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 1bse s VAL 36 Cb -0.22 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1bse s VAL 36 CO 0.29 -0.49 1.56 0.00 0.00 0.00 0.00 175.10 176.45 1bse h ALA 37 N 7.99 -0.43 -0.11 5.51 0.00 -1.98 -2.26 119.26 127.98 1bse h ALA 37 Ca -0.13 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bse h ALA 37 Cb 1.04 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1bse h ALA 37 CO 0.45 -0.88 0.20 0.77 0.00 0.00 0.00 179.25 179.79 1bse h SER 38 N -0.25 0.00 0.31 0.00 0.02 -2.03 -1.55 113.55 110.06 1bse h SER 38 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1bse h SER 38 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1bse h SER 38 CO -0.69 0.00 -1.03 0.29 -1.14 0.00 0.00 176.83 174.27 1bse n LYS 39 N -3.43 0.21 -3.79 3.45 4.01 -0.87 -5.01 118.16 112.73 1bse n LYS 39 Ca -0.00 -0.02 -0.23 0.00 -0.51 0.00 0.00 58.31 57.55 1bse n LYS 39 Cb 0.29 -1.56 0.02 0.00 -0.51 0.00 0.00 35.03 33.27 1bse n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bse n GLY 40 N 1.41 -0.28 0.80 0.72 0.00 -0.58 -4.92 105.19 102.32 1bse n GLY 40 Ca 0.02 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1bse n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bse n ASN 41 N -3.02 3.66 -0.31 1.61 6.94 -1.25 -3.91 115.26 118.98 1bse n ASN 41 Ca -0.28 -2.92 0.05 0.00 -0.02 0.00 0.00 54.58 51.41 1bse n ASN 41 Cb 0.67 -0.50 0.20 0.00 -2.36 0.00 0.00 39.78 37.79 1bse n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bse h LEU 42 N 1.67 0.71 0.00 -4.53 5.85 -1.87 0.49 115.31 117.62 1bse h LEU 42 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1bse h LEU 42 Cb 1.33 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1bse h LEU 42 CO 0.18 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 1bse n ALA 43 N -2.38 2.49 -0.06 1.25 0.00 -1.26 0.07 120.51 120.62 1bse n ALA 43 Ca 0.16 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1bse n ALA 43 Cb 0.34 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1bse n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bse h ASP 44 N 0.00 0.02 1.28 0.00 3.32 -0.45 -3.28 116.42 117.31 1bse h ASP 44 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 57.03 56.06 1bse h ASP 44 Cb 0.17 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bse h ASP 44 CO 0.00 1.00 -0.67 -0.37 -1.72 0.00 0.00 179.24 177.48 1bse h VAL 45 N -0.97 0.00 -1.01 -1.35 -1.51 -0.98 -3.42 116.25 107.02 1bse h VAL 45 Ca -0.00 -0.95 -0.38 0.00 -1.23 0.00 0.00 66.70 64.13 1bse h VAL 45 Cb 1.01 1.61 -0.27 0.00 -2.13 0.00 0.00 31.29 31.51 1bse h VAL 45 CO 0.01 0.00 -0.81 0.00 -1.23 0.00 0.00 177.57 175.54 1bse n ALA 46 N -2.12 0.55 -1.57 5.19 0.00 0.11 -4.96 120.51 117.72 1bse n ALA 46 Ca 0.01 -2.42 -0.51 0.00 0.00 0.00 0.00 53.44 50.52 1bse n ALA 46 Cb 0.53 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1bse n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bse n PRO 47 N 1.07 0.97 0.00 0.00 -0.02 -1.23 -1.76 135.00 134.03 1bse n PRO 47 Ca 0.15 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1bse n PRO 47 Cb 0.62 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1bse n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bse n GLY 48 N 2.17 3.05 3.87 -1.23 0.00 -1.26 -5.02 105.19 106.77 1bse n GLY 48 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1bse n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bse s LYS 49 N -0.19 3.73 0.01 1.61 3.01 -0.72 -4.87 119.74 122.31 1bse s LYS 49 Ca 0.00 0.65 -0.05 0.00 -1.01 0.00 0.00 55.97 55.55 1bse s LYS 49 Cb 0.00 -2.22 -0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1bse s LYS 49 CO 0.00 -0.30 0.09 -1.12 0.51 0.00 0.00 175.35 174.53 1bse s SER 50 N -3.62 0.08 0.16 2.83 0.01 -0.29 -4.87 113.70 108.00 1bse s SER 50 Ca 0.54 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.22 1bse s SER 50 Cb -0.10 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 1bse s SER 50 CO 0.41 -0.34 1.17 -0.63 0.41 0.00 0.00 173.24 174.26 1bse s ILE 51 N -1.37 3.75 -0.15 1.44 -1.09 -1.26 -2.73 121.20 119.78 1bse s ILE 51 Ca -0.15 1.42 -0.34 0.00 -2.23 0.00 0.00 60.65 59.35 1bse s ILE 51 Cb -0.08 -3.91 0.14 0.00 -1.58 0.00 0.00 42.46 37.03 1bse s ILE 51 CO 0.01 0.21 1.30 -0.83 -1.23 0.00 0.00 174.94 174.39 1bse s GLY 52 N 0.28 -0.34 0.00 6.18 0.00 -0.60 -0.69 107.32 112.16 1bse s GLY 52 Ca 0.53 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.58 1bse s GLY 52 CO 0.34 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.45 1bse n GLY 53 N -0.24 0.52 3.84 0.20 0.00 -0.58 -2.67 105.19 106.26 1bse n GLY 53 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1bse n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bse s ASP 54 N -2.83 6.77 0.14 1.61 1.01 -1.24 -4.77 116.67 117.36 1bse s ASP 54 Ca 0.00 1.41 -0.31 0.00 0.71 0.00 0.00 52.55 54.36 1bse s ASP 54 Cb 0.00 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 1bse s ASP 54 CO 0.00 -0.32 1.42 -0.63 0.21 0.00 0.00 175.17 175.85 1bse s ILE 55 N -2.16 3.13 -0.23 0.77 1.01 -1.26 -0.09 121.20 122.36 1bse s ILE 55 Ca 0.57 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.98 1bse s ILE 55 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1bse s ILE 55 CO 0.19 0.07 0.05 0.12 0.00 0.00 0.00 174.94 175.37 1bse s PHE 56 N 0.97 3.07 0.26 3.97 5.36 0.09 -4.82 117.98 126.88 1bse s PHE 56 Ca 0.65 -0.46 0.13 0.00 -0.96 0.00 0.00 56.93 56.29 1bse s PHE 56 Cb -0.38 -2.19 0.52 0.00 -0.34 0.00 0.00 43.02 40.63 1bse s PHE 56 CO 0.32 -0.33 1.69 0.66 -1.46 0.00 0.00 175.22 176.09 1bse h SER 57 N 8.02 0.00 -3.51 6.13 4.64 -1.95 -3.38 113.55 123.49 1bse h SER 57 Ca -0.38 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.58 1bse h SER 57 Cb 1.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1bse h SER 57 CO 0.59 0.50 -0.51 -3.20 -0.87 0.00 0.00 176.83 173.34 1bse n ASN 58 N -3.77 -5.51 0.21 4.97 5.15 -1.26 -4.87 115.26 110.18 1bse n ASN 58 Ca -0.01 -0.17 0.07 0.00 -0.60 0.00 0.00 54.58 53.86 1bse n ASN 58 Cb 0.55 -4.42 0.45 0.00 -0.53 0.00 0.00 39.78 35.83 1bse n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bse h ARG 59 N -0.81 0.00 0.00 1.20 -0.00 -2.00 -1.72 114.38 111.05 1bse h ARG 59 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 1bse h ARG 59 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.29 1bse h ARG 59 CO 0.51 0.30 0.00 0.39 0.00 0.00 0.00 179.97 181.17 1bse n GLU 60 N -3.72 0.22 -2.00 0.04 1.02 -1.26 -4.88 120.64 110.05 1bse n GLU 60 Ca -0.01 0.09 -0.20 0.00 -0.02 0.00 0.00 57.16 57.03 1bse n GLU 60 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1bse n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bse n GLY 61 N 0.61 0.62 0.01 0.62 0.00 -0.65 -4.94 105.19 101.47 1bse n GLY 61 Ca 0.09 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1bse n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bse n LYS 62 N -2.67 0.08 -4.27 1.61 5.02 -1.26 -4.80 118.16 111.86 1bse n LYS 62 Ca -0.22 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.76 1bse n LYS 62 Cb 0.66 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 1bse n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bse s LEU 63 N -2.93 2.94 0.18 -0.35 1.43 -1.26 -4.94 118.68 113.75 1bse s LEU 63 Ca 0.16 -0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 52.51 1bse s LEU 63 Cb 0.19 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.54 1bse s LEU 63 CO 0.55 0.18 1.71 -0.81 0.23 0.00 0.00 176.35 178.21 1bse n PRO 64 N 0.78 2.63 -3.47 1.29 -0.04 -1.26 -5.03 135.00 129.91 1bse n PRO 64 Ca -0.14 0.95 -0.21 0.00 -0.04 0.00 0.00 63.50 64.06 1bse n PRO 64 Cb 0.52 -2.79 -0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1bse n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bse s GLY 65 N 1.38 1.47 -0.09 0.55 0.00 -1.26 -5.08 107.32 104.28 1bse s GLY 65 Ca 0.77 -1.25 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 1bse s GLY 65 CO 0.34 -1.18 0.92 0.54 0.00 0.00 0.00 173.10 173.73 1bse s LYS 66 N -4.23 0.74 0.28 2.90 3.01 -1.26 -5.03 119.74 116.14 1bse s LYS 66 Ca 0.43 0.00 -0.30 0.00 -1.01 0.00 0.00 55.97 55.08 1bse s LYS 66 Cb -0.10 0.34 -0.12 0.00 -1.01 0.00 0.00 37.83 36.95 1bse s LYS 66 CO 0.33 -0.27 1.55 0.43 0.51 0.00 0.00 175.35 177.90 1bse n SER 67 N 0.41 3.55 -0.66 2.83 7.64 -1.26 -1.54 113.62 124.60 1bse n SER 67 Ca -0.11 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.84 1bse n SER 67 Cb 0.59 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.21 1bse n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bse n GLY 68 N 2.20 0.72 3.70 0.23 0.00 -1.26 -5.01 105.19 105.78 1bse n GLY 68 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bse n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bse s ARG 69 N -2.45 4.31 -0.06 1.61 3.52 -0.59 -4.95 118.95 120.35 1bse s ARG 69 Ca 0.00 0.53 0.05 0.00 -0.13 0.00 0.00 55.73 56.18 1bse s ARG 69 Cb 0.00 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1bse s ARG 69 CO 0.00 0.03 -0.20 0.99 -0.81 0.00 0.00 175.30 175.31 1bse s THR 70 N 1.01 2.50 -0.02 4.11 2.01 -1.26 -4.75 115.64 119.23 1bse s THR 70 Ca 0.28 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1bse s THR 70 Cb -0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1bse s THR 70 CO 0.11 0.57 0.17 0.26 -0.69 0.00 0.00 174.62 175.05 1bse s TRP 71 N -0.34 3.53 0.06 4.92 0.52 -1.26 -1.31 118.94 125.06 1bse s TRP 71 Ca 0.02 0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.52 1bse s TRP 71 Cb -0.12 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1bse s TRP 71 CO 0.02 0.65 -0.08 1.03 0.02 0.00 0.00 176.95 178.58 1bse s ARG 72 N -1.87 0.64 0.35 4.98 0.52 -0.58 -0.73 118.95 122.26 1bse s ARG 72 Ca 0.26 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1bse s ARG 72 Cb -0.13 -0.35 -0.07 0.00 0.52 0.00 0.00 34.95 34.93 1bse s ARG 72 CO 0.17 0.05 -0.03 -1.83 0.02 0.00 0.00 175.30 173.68 1bse s GLU 73 N -2.13 1.77 -0.21 3.54 -1.05 0.87 -1.00 118.70 120.49 1bse s GLU 73 Ca -0.04 -1.95 -0.17 0.00 -0.15 0.00 0.00 54.97 52.66 1bse s GLU 73 Cb -0.06 -1.43 0.06 0.00 -0.44 0.00 0.00 34.13 32.25 1bse s GLU 73 CO -0.00 0.01 0.54 0.00 0.95 0.00 0.00 175.26 176.76 1bse s ALA 74 N -2.84 -1.36 0.28 -0.84 0.00 -0.50 -1.53 121.76 114.98 1bse s ALA 74 Ca 0.33 1.64 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 1bse s ALA 74 Cb 0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 1bse s ALA 74 CO 0.16 -0.27 1.43 -0.51 0.00 0.00 0.00 175.76 176.56 1bse s ASP 75 N 0.63 6.63 0.03 0.00 1.11 0.14 -1.01 116.67 124.20 1bse s ASP 75 Ca -0.03 2.72 0.08 0.00 0.18 0.00 0.00 52.55 55.50 1bse s ASP 75 Cb -0.05 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 1bse s ASP 75 CO -0.04 -0.70 -0.22 -0.63 1.18 0.00 0.00 175.17 174.76 1bse s ILE 76 N -0.32 1.79 -0.72 0.77 -1.09 -0.84 -4.73 121.20 116.04 1bse s ILE 76 Ca 0.57 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 1bse s ILE 76 Cb -0.42 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1bse s ILE 76 CO 0.47 0.31 0.00 0.59 -1.23 0.00 0.00 174.94 175.08 1bse n ASN 77 N 2.00 -4.24 -4.69 3.58 3.02 0.11 -4.58 115.26 110.45 1bse n ASN 77 Ca -0.17 0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1bse n ASN 77 Cb 0.53 -2.35 -0.04 0.00 -0.61 0.00 0.00 39.78 37.31 1bse n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bse s TYR 78 N -2.11 3.51 0.00 3.10 5.04 -1.26 -4.93 117.35 120.69 1bse s TYR 78 Ca 0.00 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1bse s TYR 78 Cb 0.00 -2.96 0.00 0.00 0.35 0.00 0.00 41.96 39.35 1bse s TYR 78 CO 0.00 -0.10 0.00 0.25 -1.34 0.00 0.00 175.55 174.36 1bse n THR 79 N 4.29 0.00 -3.67 4.34 -2.24 -1.26 -4.93 114.28 110.81 1bse n THR 79 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1bse n THR 79 Cb 0.50 -1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1bse n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bse s SER 80 N -4.99 -0.38 0.00 3.42 1.04 -1.26 -4.78 113.70 106.75 1bse s SER 80 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1bse s SER 80 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1bse s SER 80 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1bse n GLY 81 N -0.42 0.41 3.77 7.32 0.00 -1.26 -4.90 105.19 110.11 1bse n GLY 81 Ca -0.09 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1bse n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bse s PHE 82 N 0.00 2.64 0.61 1.61 0.08 -1.25 -4.36 117.98 117.32 1bse s PHE 82 Ca 0.00 1.55 -0.17 0.00 0.12 0.00 0.00 56.93 58.43 1bse s PHE 82 Cb 0.00 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.19 1bse s PHE 82 CO 0.00 -1.64 1.14 1.03 -0.10 0.00 0.00 175.22 175.65 1bse s ARG 83 N -3.67 2.97 0.00 0.44 0.52 -1.26 -5.01 118.95 112.95 1bse s ARG 83 Ca 0.70 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 1bse s ARG 83 Cb -0.22 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1bse s ARG 83 CO 0.34 -1.14 0.00 0.27 0.02 0.00 0.00 175.30 174.78 1bse n ASN 84 N -1.92 0.00 -0.41 0.23 0.23 -1.26 -5.04 115.26 107.09 1bse n ASN 84 Ca 0.11 -0.65 0.12 0.00 -0.53 0.00 0.00 54.58 53.63 1bse n ASN 84 Cb 0.51 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.34 1bse n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1bse n SER 85 N -1.94 1.68 -4.71 0.53 7.64 -1.26 -4.94 113.62 110.62 1bse n SER 85 Ca 0.00 -1.30 -0.40 0.00 1.01 0.00 0.00 58.87 58.18 1bse n SER 85 Cb 0.00 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1bse n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bse s ASP 86 N -2.48 6.99 0.01 6.43 1.01 -1.26 -2.16 116.67 125.21 1bse s ASP 86 Ca 0.21 1.19 -0.11 0.00 0.71 0.00 0.00 52.55 54.55 1bse s ASP 86 Cb 0.18 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1bse s ASP 86 CO 0.55 -0.18 0.22 -0.13 0.21 0.00 0.00 175.17 175.84 1bse s ARG 87 N 1.09 0.61 -0.12 8.23 1.81 -0.39 -1.99 118.95 128.19 1bse s ARG 87 Ca 0.38 -0.38 -0.03 0.00 -1.72 0.00 0.00 55.73 53.98 1bse s ARG 87 Cb -0.18 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.55 1bse s ARG 87 CO 0.17 -0.16 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.12 1bse s ILE 88 N -1.65 4.21 -0.14 1.52 2.07 -0.18 -1.16 121.20 125.87 1bse s ILE 88 Ca -0.12 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1bse s ILE 88 Cb -0.05 -2.80 0.00 0.00 0.13 0.00 0.00 42.46 39.74 1bse s ILE 88 CO 0.01 0.55 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.70 1bse s VAL 89 N -0.36 2.25 -0.01 4.00 1.01 0.25 -1.41 120.40 126.14 1bse s VAL 89 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1bse s VAL 89 Cb -0.12 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1bse s VAL 89 CO 0.02 0.54 -0.07 -0.72 0.00 0.00 0.00 175.10 174.88 1bse s TYR 90 N 0.73 0.61 0.51 5.22 -0.85 -0.17 -0.23 117.35 123.17 1bse s TYR 90 Ca -0.08 -0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.33 1bse s TYR 90 Cb -0.16 -0.39 0.01 0.00 0.38 0.00 0.00 41.96 41.79 1bse s TYR 90 CO 0.00 -0.01 0.77 -1.54 -1.52 0.00 0.00 175.55 173.25 1bse s SER 91 N -0.15 5.66 0.34 -0.18 1.04 -0.85 -1.53 113.70 118.03 1bse s SER 91 Ca 0.02 0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1bse s SER 91 Cb -0.03 -1.50 0.69 0.00 0.10 0.00 0.00 66.02 65.28 1bse s SER 91 CO -0.00 -0.90 1.92 0.77 0.98 0.00 0.00 173.24 176.01 1bse h SER 92 N 0.14 0.74 -0.73 7.02 4.64 -1.56 -0.83 113.55 122.97 1bse h SER 92 Ca -0.45 0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.55 1bse h SER 92 Cb 1.26 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 63.01 1bse h SER 92 CO 0.58 0.45 0.42 -0.90 -0.87 0.00 0.00 176.83 176.51 1bse n ASP 93 N -4.51 3.84 -4.15 4.97 5.75 -1.26 -4.96 116.55 116.23 1bse n ASP 93 Ca 0.13 -3.18 -0.35 0.00 -0.01 0.00 0.00 54.79 51.39 1bse n ASP 93 Cb 0.29 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.61 1bse n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bse n TRP 94 N -0.56 -1.84 -2.86 2.11 7.02 -0.32 -5.00 117.44 115.99 1bse n TRP 94 Ca 0.43 0.81 -0.40 0.00 -1.02 0.00 0.00 57.50 57.32 1bse n TRP 94 Cb 1.36 -3.10 -0.05 0.00 -2.42 0.00 0.00 31.31 27.09 1bse n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bse s LEU 95 N -7.25 4.56 -0.14 -0.99 1.43 -1.26 -4.84 118.68 110.19 1bse s LEU 95 Ca 0.73 1.73 -0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1bse s LEU 95 Cb -0.39 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1bse s LEU 95 CO 0.90 0.10 -0.13 -0.63 0.23 0.00 0.00 176.35 176.83 1bse s ILE 96 N -0.72 3.01 0.14 -0.59 -1.09 -1.15 -2.02 121.20 118.77 1bse s ILE 96 Ca 0.40 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1bse s ILE 96 Cb -0.23 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1bse s ILE 96 CO 0.28 0.51 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.10 1bse s TYR 97 N 0.53 1.18 0.15 3.97 1.51 0.68 -1.87 117.35 123.49 1bse s TYR 97 Ca -0.08 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1bse s TYR 97 Cb -0.16 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1bse s TYR 97 CO 0.04 0.03 -0.04 -1.59 -1.11 0.00 0.00 175.55 172.87 1bse s LYS 98 N -3.76 1.03 -0.05 -0.62 -2.85 -0.71 0.85 119.74 113.62 1bse s LYS 98 Ca 0.15 -1.46 -0.05 0.00 -1.00 0.00 0.00 55.97 53.61 1bse s LYS 98 Cb 0.03 -0.37 0.02 0.00 -2.06 0.00 0.00 37.83 35.45 1bse s LYS 98 CO -0.01 -0.04 0.14 -0.08 0.10 0.00 0.00 175.35 175.46 1bse s THR 99 N -3.55 -0.00 -0.08 3.79 -1.32 -0.31 -2.31 115.64 111.86 1bse s THR 99 Ca 0.19 0.01 0.12 0.00 -1.21 0.00 0.00 61.69 60.80 1bse s THR 99 Cb 0.05 -0.20 0.18 0.00 -1.51 0.00 0.00 72.50 71.02 1bse s THR 99 CO 0.01 0.01 1.07 0.35 -2.21 0.00 0.00 174.62 173.85 1bse n THR 100 N 3.09 1.30 -2.78 5.08 -2.24 -1.26 -1.27 114.28 116.21 1bse n THR 100 Ca -0.13 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1bse n THR 100 Cb 0.59 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1bse n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bse n ASP 101 N -0.96 1.53 -2.77 3.42 5.68 -1.19 -4.56 116.55 117.69 1bse n ASP 101 Ca 0.10 -2.04 -0.16 0.00 -0.50 0.00 0.00 54.79 52.19 1bse n ASP 101 Cb 0.60 -0.45 0.06 0.00 -1.14 0.00 0.00 41.12 40.19 1bse n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bse n HIS 102 N -0.44 -1.97 -2.18 2.11 8.25 -0.92 -3.21 115.22 116.87 1bse n HIS 102 Ca 0.07 0.73 -0.16 0.00 -0.26 0.00 0.00 57.72 58.10 1bse n HIS 102 Cb 0.85 -4.06 -0.02 0.00 1.12 0.00 0.00 29.99 27.89 1bse n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bse n TYR 103 N -4.02 -0.65 -0.01 4.41 4.01 -1.26 -4.92 117.16 114.71 1bse n TYR 103 Ca -0.06 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.49 1bse n TYR 103 Cb 0.57 -3.26 -0.14 0.00 -0.31 0.00 0.00 39.34 36.20 1bse n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bse h GLN 104 N 0.00 0.17 -4.93 -0.72 4.20 -1.96 -3.47 115.11 108.40 1bse h GLN 104 Ca -0.38 -0.29 -0.35 0.00 0.06 0.00 0.00 58.65 57.69 1bse h GLN 104 Cb 1.25 0.11 -0.23 0.00 0.30 0.00 0.00 27.48 28.92 1bse h GLN 104 CO 0.47 1.14 -0.76 0.95 -0.67 0.00 0.00 178.83 179.95 1bse s THR 105 N -2.39 0.82 0.04 -0.54 -4.23 -1.26 -5.11 115.64 102.96 1bse s THR 105 Ca -0.19 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1bse s THR 105 Cb 0.02 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 1bse s THR 105 CO 0.74 -0.22 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.12 1bse s PHE 106 N -1.14 1.09 -0.02 3.99 0.08 -1.26 -4.29 117.98 116.43 1bse s PHE 106 Ca -0.04 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1bse s PHE 106 Cb -0.09 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1bse s PHE 106 CO 0.01 0.02 -0.02 0.99 -0.10 0.00 0.00 175.22 176.12 1bse s THR 107 N -0.96 0.22 0.10 0.64 2.01 -0.98 -4.96 115.64 111.71 1bse s THR 107 Ca -0.01 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 1bse s THR 107 Cb -0.08 -0.25 -0.07 0.00 0.01 0.00 0.00 72.50 72.11 1bse s THR 107 CO 0.01 0.11 1.24 -0.75 -0.69 0.00 0.00 174.62 174.54 1bse s LYS 108 N 0.48 4.42 0.00 4.92 2.20 -1.26 -1.75 119.74 128.76 1bse s LYS 108 Ca -0.05 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 1bse s LYS 108 Cb -0.08 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1bse s LYS 108 CO -0.01 -0.25 0.00 0.44 -0.36 0.00 0.00 175.35 175.17 1bse n ILE 109 N 3.57 0.00 -1.64 5.43 -5.35 -0.78 -4.95 119.36 115.64 1bse n ILE 109 Ca 0.08 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1bse n ILE 109 Cb 0.45 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1bse n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33