#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfx s SER 2 N 0.00 4.45 -0.14 4.39 0.01 -1.26 -5.27 113.70 115.88 1sfx s SER 2 Ca 0.00 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 1sfx s SER 2 Cb 0.00 -0.85 0.04 0.00 0.21 0.00 0.00 66.02 65.41 1sfx s SER 2 CO 0.00 0.14 -0.04 0.21 0.41 0.00 0.00 173.24 173.96 1sfx s ASN 3 N -2.51 2.50 0.30 2.44 3.84 -1.26 -5.03 114.94 115.23 1sfx s ASN 3 Ca 0.24 -0.51 0.02 0.00 0.21 0.00 0.00 52.86 52.82 1sfx s ASN 3 Cb -0.10 -0.79 0.49 0.00 -0.55 0.00 0.00 41.25 40.30 1sfx s ASN 3 CO 0.15 -0.18 1.81 1.55 -2.79 0.00 0.00 177.10 177.64 1sfx h PRO 4 N 8.18 0.59 -0.55 0.43 0.13 -1.99 -1.65 132.00 137.13 1sfx h PRO 4 Ca -0.24 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1sfx h PRO 4 Cb 1.12 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1sfx h PRO 4 CO 0.37 0.65 0.06 -0.07 -0.23 0.00 0.00 178.00 178.79 1sfx h LEU 5 N 0.55 0.89 -0.85 1.56 3.38 -1.99 -1.50 115.31 117.36 1sfx h LEU 5 Ca 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1sfx h LEU 5 Cb 0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1sfx h LEU 5 CO 0.02 0.94 0.41 1.23 0.09 0.00 0.00 178.44 181.13 1sfx h GLY 6 N 0.81 1.31 1.08 0.83 0.00 -1.89 -0.48 103.07 104.71 1sfx h GLY 6 Ca 0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1sfx h GLY 6 CO 0.02 0.62 0.05 0.83 0.00 0.00 0.00 176.54 178.05 1sfx h GLU 7 N 1.20 1.11 -0.49 4.80 4.39 -1.14 -2.44 114.58 122.01 1sfx h GLU 7 Ca 0.29 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1sfx h GLU 7 Cb 0.12 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1sfx h GLU 7 CO -0.04 1.04 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.76 1sfx h LEU 8 N 1.02 0.80 -0.45 1.33 3.38 -0.86 -1.58 115.31 118.95 1sfx h LEU 8 Ca 0.19 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sfx h LEU 8 Cb 0.51 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1sfx h LEU 8 CO 0.02 0.88 0.23 0.58 0.09 0.00 0.00 178.44 180.25 1sfx h VAL 9 N 0.77 0.98 -0.83 1.22 2.07 -0.84 -0.19 116.25 119.42 1sfx h VAL 9 Ca 0.14 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1sfx h VAL 9 Cb 0.50 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1sfx h VAL 9 CO 0.03 0.08 0.39 0.11 0.02 0.00 0.00 177.57 178.20 1sfx h LYS 10 N 0.46 1.20 -0.47 1.57 1.57 -1.04 -1.28 116.57 118.59 1sfx h LYS 10 Ca 0.19 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1sfx h LYS 10 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1sfx h LYS 10 CO -0.13 0.93 0.08 0.00 -0.57 0.00 0.00 179.45 179.77 1sfx h ALA 11 N 1.21 0.62 -0.52 3.86 0.00 -0.92 -1.57 119.26 121.95 1sfx h ALA 11 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sfx h ALA 11 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sfx h ALA 11 CO -0.03 0.34 0.03 -0.07 0.00 0.00 0.00 179.25 179.52 1sfx h LEU 12 N 0.64 0.81 -0.47 0.00 3.38 -0.73 -2.01 115.31 116.94 1sfx h LEU 12 Ca 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1sfx h LEU 12 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1sfx h LEU 12 CO 0.01 0.86 0.19 -0.08 0.09 0.00 0.00 178.44 179.51 1sfx h GLU 13 N 0.79 0.69 -0.33 1.13 4.81 -1.00 -0.95 114.58 119.72 1sfx h GLU 13 Ca 0.16 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1sfx h GLU 13 Cb 0.43 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1sfx h GLU 13 CO 0.02 0.62 0.10 0.87 -0.73 0.00 0.00 179.01 179.89 1sfx h LYS 14 N 0.61 0.47 -0.55 1.92 1.57 -0.88 -2.48 116.57 117.23 1sfx h LYS 14 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1sfx h LYS 14 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1sfx h LYS 14 CO -0.01 0.42 0.00 1.28 -0.57 0.00 0.00 179.45 180.57 1sfx n LEU 15 N -4.38 3.64 -4.71 2.94 4.77 -0.79 -4.99 117.00 113.48 1sfx n LEU 15 Ca 0.02 -1.69 -0.31 0.00 -0.03 0.00 0.00 56.01 54.00 1sfx n LEU 15 Cb 0.16 -0.36 0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1sfx n LEU 15 CO 0.37 0.85 0.68 -0.94 -1.33 0.00 0.00 177.39 177.01 1sfx s SER 16 N -1.26 3.56 -0.06 -1.43 1.04 -0.39 -5.05 113.70 110.11 1sfx s SER 16 Ca 0.43 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.76 1sfx s SER 16 Cb 0.24 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1sfx s SER 16 CO 0.32 -2.64 -0.14 -0.36 0.98 0.00 0.00 173.24 171.40 1sfx s PHE 17 N -2.80 2.70 0.40 5.02 0.08 -1.26 -5.07 117.98 117.06 1sfx s PHE 17 Ca 0.64 -0.20 -0.24 0.00 0.12 0.00 0.00 56.93 57.24 1sfx s PHE 17 Cb -0.20 -1.64 -0.09 0.00 -0.57 0.00 0.00 43.02 40.52 1sfx s PHE 17 CO 0.57 0.15 1.09 0.15 -0.10 0.00 0.00 175.22 177.09 1sfx s LYS 18 N -0.64 4.10 0.33 0.44 1.02 -1.26 -4.94 119.74 118.79 1sfx s LYS 18 Ca 0.10 1.63 0.10 0.00 0.02 0.00 0.00 55.97 57.82 1sfx s LYS 18 Cb -0.11 -2.58 0.88 0.00 -0.52 0.00 0.00 37.83 35.50 1sfx s LYS 18 CO 0.01 -0.22 1.77 -1.35 -0.92 0.00 0.00 175.35 174.63 1sfx h PRO 19 N 2.52 0.60 -0.27 -1.68 0.11 -2.00 -0.25 132.00 131.02 1sfx h PRO 19 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1sfx h PRO 19 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1sfx h PRO 19 CO 0.62 0.40 -0.03 0.66 -0.21 0.00 0.00 178.00 179.44 1sfx h SER 20 N 0.62 0.39 -0.75 -2.05 4.64 -1.99 -2.14 113.55 112.26 1sfx h SER 20 Ca 0.59 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1sfx h SER 20 Cb 1.13 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1sfx h SER 20 CO -0.38 0.48 0.46 0.44 -0.87 0.00 0.00 176.83 176.97 1sfx h ASP 21 N 0.40 0.90 -0.50 4.97 3.32 -1.42 -0.67 116.42 123.43 1sfx h ASP 21 Ca 0.09 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1sfx h ASP 21 Cb 0.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1sfx h ASP 21 CO 0.01 0.69 0.23 0.58 -1.72 0.00 0.00 179.24 179.03 1sfx h VAL 22 N 1.03 1.20 -0.50 -1.35 2.07 -1.27 -0.57 116.25 116.86 1sfx h VAL 22 Ca 0.27 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1sfx h VAL 22 Cb -0.05 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1sfx h VAL 22 CO -0.05 0.22 0.19 0.03 0.02 0.00 0.00 177.57 177.97 1sfx h ARG 23 N 0.66 0.75 0.30 1.57 3.08 -1.06 0.10 114.38 119.78 1sfx h ARG 23 Ca 0.17 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1sfx h ARG 23 Cb 0.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1sfx h ARG 23 CO -0.02 0.68 -0.14 0.82 -1.07 0.00 0.00 179.97 180.24 1sfx h ILE 24 N 0.67 0.74 -0.40 2.04 2.04 -1.03 -1.16 117.51 120.40 1sfx h ILE 24 Ca 0.16 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1sfx h ILE 24 Cb 0.22 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1sfx h ILE 24 CO -0.01 0.08 0.07 0.22 0.00 0.00 0.00 178.15 178.51 1sfx h TYR 25 N -0.61 0.11 -0.61 1.37 3.20 -1.04 -1.47 116.97 117.92 1sfx h TYR 25 Ca -0.04 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1sfx h TYR 25 Cb 0.44 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1sfx h TYR 25 CO -0.00 0.00 0.02 1.03 -1.64 0.00 0.00 178.16 177.57 1sfx h SER 26 N 0.19 1.02 -0.23 -2.11 0.87 -0.92 -0.67 113.55 111.71 1sfx h SER 26 Ca 0.19 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1sfx h SER 26 Cb 0.24 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1sfx h SER 26 CO -0.26 1.06 0.12 0.25 -0.53 0.00 0.00 176.83 177.47 1sfx h LEU 27 N 0.96 0.18 -0.43 2.23 5.85 -0.94 -1.63 115.31 121.53 1sfx h LEU 27 Ca 0.18 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1sfx h LEU 27 Cb 0.53 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1sfx h LEU 27 CO 0.03 0.14 0.04 -0.07 -0.34 0.00 0.00 178.44 178.23 1sfx h LEU 28 N 0.25 0.71 -1.03 2.25 3.38 -0.95 0.02 115.31 119.94 1sfx h LEU 28 Ca 0.09 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1sfx h LEU 28 Cb 0.02 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1sfx h LEU 28 CO -0.06 0.82 0.65 0.25 0.09 0.00 0.00 178.44 180.19 1sfx h LEU 29 N 0.58 1.09 -0.07 1.67 5.85 -1.00 0.04 115.31 123.48 1sfx h LEU 29 Ca 0.13 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1sfx h LEU 29 Cb 0.43 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1sfx h LEU 29 CO 0.01 0.76 -0.34 -0.08 -0.34 0.00 0.00 178.44 178.45 1sfx h GLU 30 N 1.27 0.36 0.00 1.25 4.81 -1.01 -3.38 114.58 117.88 1sfx h GLU 30 Ca 0.39 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1sfx h GLU 30 Cb -0.03 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1sfx h GLU 30 CO -0.11 0.93 -1.82 0.54 -0.73 0.00 0.00 179.01 177.82 1sfx n ARG 31 N -4.40 0.65 0.00 1.92 5.12 -0.03 -5.10 116.66 114.81 1sfx n ARG 31 Ca -0.08 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1sfx n ARG 31 Cb 0.51 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1sfx n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sfx n GLY 32 N 1.25 -4.02 3.50 -0.13 0.00 -0.01 -5.05 105.19 100.73 1sfx n GLY 32 Ca -0.03 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 1sfx n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfx s GLY 33 N -0.21 1.53 0.18 -0.02 0.00 -1.26 -4.63 107.32 102.92 1sfx s GLY 33 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.55 1sfx s GLY 33 CO 0.00 0.52 0.24 0.50 0.00 0.00 0.00 173.10 174.36 1sfx s ARG 35 N -4.52 3.21 0.24 2.90 0.52 -1.26 -4.83 118.95 115.21 1sfx s ARG 35 Ca 0.68 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 55.08 1sfx s ARG 35 Cb -0.24 -2.80 0.46 0.00 0.52 0.00 0.00 34.95 32.89 1sfx s ARG 35 CO 0.64 0.48 1.69 0.28 0.02 0.00 0.00 175.30 178.41 1sfx h VAL 36 N 1.65 0.53 -0.47 3.52 2.07 -1.98 -1.64 116.25 119.93 1sfx h VAL 36 Ca -0.49 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1sfx h VAL 36 Cb 1.21 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1sfx h VAL 36 CO 0.65 0.05 0.05 0.77 0.02 0.00 0.00 177.57 179.11 1sfx h SER 37 N 0.29 0.71 -0.20 0.57 4.64 -1.97 -0.47 113.55 117.12 1sfx h SER 37 Ca 0.42 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1sfx h SER 37 Cb 0.70 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sfx h SER 37 CO -0.49 0.74 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.63 1sfx h GLU 38 N 0.71 0.52 -0.44 4.77 5.08 -1.83 -1.96 114.58 121.44 1sfx h GLU 38 Ca 0.15 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1sfx h GLU 38 Cb 0.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1sfx h GLU 38 CO 0.01 0.89 0.29 0.82 -1.00 0.00 0.00 179.01 180.01 1sfx h ILE 39 N 0.19 1.11 -0.36 3.13 2.04 -1.04 -0.11 117.51 122.48 1sfx h ILE 39 Ca 0.03 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1sfx h ILE 39 Cb 0.81 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1sfx h ILE 39 CO 0.06 0.11 0.20 0.00 0.00 0.00 0.00 178.15 178.52 1sfx h ALA 40 N 1.16 0.45 -0.36 1.87 0.00 -1.02 -0.96 119.26 120.40 1sfx h ALA 40 Ca 0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1sfx h ALA 40 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1sfx h ALA 40 CO -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.00 1sfx h ARG 41 N 0.42 0.68 -0.83 0.00 3.08 -1.13 -0.63 114.38 115.96 1sfx h ARG 41 Ca 0.14 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1sfx h ARG 41 Cb 0.01 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1sfx h ARG 41 CO -0.07 0.83 0.37 1.49 -1.07 0.00 0.00 179.97 181.52 1sfx h GLU 42 N 0.48 1.22 -0.02 0.04 4.57 -0.71 -3.04 114.58 117.12 1sfx h GLU 42 Ca 0.09 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1sfx h GLU 42 Cb 0.57 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1sfx h GLU 42 CO 0.03 0.96 -0.35 1.28 -1.18 0.00 0.00 179.01 179.75 1sfx n LEU 43 N -4.29 2.25 -3.58 1.64 4.77 -0.39 -4.97 117.00 112.42 1sfx n LEU 43 Ca 0.08 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 55.04 1sfx n LEU 43 Cb 0.16 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1sfx n LEU 43 CO 0.40 0.40 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.17 1sfx n ASP 44 N 0.31 -2.79 -4.41 -1.43 2.03 -0.32 -5.03 116.55 104.90 1sfx n ASP 44 Ca 0.11 -0.80 -0.23 0.00 0.52 0.00 0.00 54.79 54.38 1sfx n ASP 44 Cb 0.50 -4.30 -0.10 0.00 -0.72 0.00 0.00 41.12 36.50 1sfx n ASP 44 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1sfx s LEU 45 N -6.39 2.53 0.50 -2.67 1.43 -0.74 -5.06 118.68 108.29 1sfx s LEU 45 Ca 0.15 -0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 1sfx s LEU 45 Cb -0.04 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 1sfx s LEU 45 CO 0.80 -0.01 1.06 -0.94 0.23 0.00 0.00 176.35 177.49 1sfx s SER 46 N -3.20 6.20 0.27 2.29 1.04 -1.26 -4.51 113.70 114.52 1sfx s SER 46 Ca 0.25 2.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.64 1sfx s SER 46 Cb -0.05 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.87 1sfx s SER 46 CO 0.11 -0.88 1.92 0.00 0.98 0.00 0.00 173.24 175.37 1sfx h ALA 47 N 1.52 1.36 -0.47 5.32 0.00 -1.93 -1.12 119.26 123.94 1sfx h ALA 47 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1sfx h ALA 47 Cb 1.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sfx h ALA 47 CO 0.59 0.56 0.27 -0.09 0.00 0.00 0.00 179.25 180.57 1sfx h ARG 48 N 1.24 0.66 -0.57 0.00 2.43 -1.98 -0.20 114.38 115.96 1sfx h ARG 48 Ca 0.38 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1sfx h ARG 48 Cb -0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1sfx h ARG 48 CO -0.11 0.51 0.14 0.35 -1.51 0.00 0.00 179.97 179.35 1sfx h PHE 49 N 0.63 0.95 -0.34 2.20 3.57 -1.83 -0.65 116.94 121.46 1sfx h PHE 49 Ca 0.17 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1sfx h PHE 49 Cb 0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 1sfx h PHE 49 CO -0.02 0.81 0.22 0.28 -2.23 0.00 0.00 178.31 177.37 1sfx h VAL 50 N 0.81 1.10 -0.69 1.41 2.07 -0.94 -0.98 116.25 119.03 1sfx h VAL 50 Ca 0.18 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1sfx h VAL 50 Cb 0.34 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1sfx h VAL 50 CO 0.00 0.09 0.41 0.03 0.02 0.00 0.00 177.57 178.13 1sfx h ARG 51 N 0.46 0.76 -0.47 1.57 3.08 -0.81 0.48 114.38 119.46 1sfx h ARG 51 Ca 0.12 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1sfx h ARG 51 Cb -0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1sfx h ARG 51 CO -0.03 0.50 0.28 -0.44 -1.07 0.00 0.00 179.97 179.22 1sfx h ASP 52 N 0.79 0.56 0.02 7.04 3.32 -0.57 -1.82 116.42 125.75 1sfx h ASP 52 Ca 0.29 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 1sfx h ASP 52 Cb 0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1sfx h ASP 52 CO -0.14 0.46 -0.56 0.03 -1.72 0.00 0.00 179.24 177.31 1sfx h ARG 53 N 0.62 0.57 -0.93 3.56 2.47 -0.94 -3.02 114.38 116.72 1sfx h ARG 53 Ca 0.17 -0.37 0.03 0.00 -1.26 0.00 0.00 59.98 58.55 1sfx h ARG 53 Cb -0.00 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.31 1sfx h ARG 53 CO -0.03 0.98 0.61 -0.07 0.56 0.00 0.00 179.97 182.02 1sfx h LEU 54 N 0.44 1.01 -0.53 3.04 3.38 -0.65 -0.43 115.31 121.56 1sfx h LEU 54 Ca 0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1sfx h LEU 54 Cb 1.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1sfx h LEU 54 CO 0.11 0.70 0.28 0.11 0.09 0.00 0.00 178.44 179.73 1sfx h LYS 55 N 1.18 0.53 -0.26 1.13 1.57 -1.21 0.11 116.57 119.62 1sfx h LYS 55 Ca 0.37 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1sfx h LYS 55 Cb -0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sfx h LYS 55 CO -0.11 0.35 0.10 0.28 -0.57 0.00 0.00 179.45 179.50 1sfx h VAL 56 N 0.55 1.18 -0.12 0.50 2.07 -1.38 -1.90 116.25 117.14 1sfx h VAL 56 Ca 0.23 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1sfx h VAL 56 Cb 0.12 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1sfx h VAL 56 CO -0.15 0.19 -0.32 -0.07 0.02 0.00 0.00 177.57 177.23 1sfx h LEU 57 N 0.27 0.25 -0.02 2.57 3.38 -0.64 -1.18 115.31 119.93 1sfx h LEU 57 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sfx h LEU 57 Cb 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1sfx h LEU 57 CO -0.01 0.57 0.00 -0.07 0.09 0.00 0.00 178.44 179.02 1sfx h LEU 58 N 0.21 0.04 -1.29 1.67 3.38 -0.71 -0.81 115.31 117.80 1sfx h LEU 58 Ca 0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1sfx h LEU 58 Cb 0.68 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sfx h LEU 58 CO 0.05 0.32 -0.17 0.11 0.09 0.00 0.00 178.44 178.84 1sfx h LYS 59 N -0.24 0.27 0.00 1.13 1.57 -1.07 -1.98 116.57 116.25 1sfx h LYS 59 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1sfx h LYS 59 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1sfx h LYS 59 CO 0.00 0.45 0.00 0.54 -0.57 0.00 0.00 179.45 179.87 1sfx n ARG 60 N -4.23 0.03 -0.84 3.15 1.74 -0.47 -4.92 116.66 111.13 1sfx n ARG 60 Ca -0.01 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1sfx n ARG 60 Cb 0.31 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1sfx n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfx n GLY 61 N 1.18 0.54 0.02 -0.13 0.00 -0.74 -4.84 105.19 101.21 1sfx n GLY 61 Ca 0.06 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.33 1sfx n GLY 61 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sfx n PHE 62 N -2.82 0.00 -4.15 1.61 3.72 -0.34 -4.64 117.46 110.84 1sfx n PHE 62 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1sfx n PHE 62 Cb 0.03 -0.55 -0.12 0.00 -0.94 0.00 0.00 39.48 37.90 1sfx n PHE 62 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1sfx s VAL 63 N -3.42 0.75 0.29 -4.37 1.01 -1.07 -1.33 120.40 112.26 1sfx s VAL 63 Ca -0.08 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1sfx s VAL 63 Cb 0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1sfx s VAL 63 CO 0.90 -0.22 -0.11 0.00 0.00 0.00 0.00 175.10 175.67 1sfx s ARG 64 N -1.36 1.62 0.21 2.72 1.70 0.07 -4.20 118.95 119.71 1sfx s ARG 64 Ca -0.05 -1.80 0.09 0.00 -0.47 0.00 0.00 55.73 53.50 1sfx s ARG 64 Cb -0.09 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 1sfx s ARG 64 CO 0.01 0.15 -0.07 -0.98 -1.08 0.00 0.00 175.30 173.33 1sfx s ARG 65 N -3.64 2.14 -0.06 3.89 1.70 -1.26 -0.90 118.95 120.82 1sfx s ARG 65 Ca 0.29 -1.32 -0.14 0.00 -0.47 0.00 0.00 55.73 54.09 1sfx s ARG 65 Cb 0.01 -2.16 0.03 0.00 -0.57 0.00 0.00 34.95 32.26 1sfx s ARG 65 CO 0.13 0.41 0.34 -1.83 -1.08 0.00 0.00 175.30 173.27 1sfx s GLU 66 N -3.11 0.58 0.38 3.89 -1.05 -0.13 -4.96 118.70 114.29 1sfx s GLU 66 Ca 0.27 0.10 -0.26 0.00 -0.15 0.00 0.00 54.97 54.93 1sfx s GLU 66 Cb -0.08 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1sfx s GLU 66 CO 0.17 -0.13 1.23 -1.50 0.95 0.00 0.00 175.26 175.97 1sfx s ILE 67 N -0.71 2.93 -0.10 1.83 1.10 -1.26 -1.16 121.20 123.83 1sfx s ILE 67 Ca -0.08 0.83 0.04 0.00 -0.51 0.00 0.00 60.65 60.93 1sfx s ILE 67 Cb -0.04 -3.49 0.00 0.00 0.15 0.00 0.00 42.46 39.08 1sfx s ILE 67 CO 0.03 0.12 -0.23 -0.69 -2.11 0.00 0.00 174.94 172.06 1sfx s VAL 68 N -1.30 1.99 -0.46 4.00 1.01 0.31 -4.88 120.40 121.07 1sfx s VAL 68 Ca 0.55 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1sfx s VAL 68 Cb -0.35 -1.73 0.13 0.00 0.00 0.00 0.00 36.38 34.44 1sfx s VAL 68 CO 0.44 0.54 0.24 -0.70 0.00 0.00 0.00 175.10 175.63 1sfx s GLU 69 N 0.38 1.48 -0.38 2.72 2.12 -1.26 -2.32 118.70 121.44 1sfx s GLU 69 Ca -0.18 -2.18 0.12 0.00 0.36 0.00 0.00 54.97 53.09 1sfx s GLU 69 Cb -0.18 -2.61 0.37 0.00 0.26 0.00 0.00 34.13 31.97 1sfx s GLU 69 CO 0.08 -1.15 0.88 1.63 -0.54 0.00 0.00 175.26 176.17 1sfx n LYS 70 N 3.43 1.03 0.00 4.30 4.76 -1.26 -4.98 118.16 125.44 1sfx n LYS 70 Ca 0.08 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.50 1sfx n LYS 70 Cb 0.34 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1sfx n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sfx n GLY 71 N 0.17 2.23 3.77 0.72 0.00 -1.26 -4.86 105.19 105.97 1sfx n GLY 71 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1sfx n GLY 71 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sfx s TRP 72 N 0.00 2.99 -0.05 1.61 -0.00 -1.26 -5.04 118.94 117.18 1sfx s TRP 72 Ca 0.00 1.40 0.04 0.00 -0.00 0.00 0.00 56.10 57.53 1sfx s TRP 72 Cb 0.00 -3.71 0.00 0.00 -0.00 0.00 0.00 33.47 29.76 1sfx s TRP 72 CO 0.00 -1.97 -0.16 0.08 -0.00 0.00 0.00 176.95 174.90 1sfx s VAL 73 N -1.15 1.39 -2.43 5.86 1.01 -1.26 -4.23 120.40 119.58 1sfx s VAL 73 Ca 0.50 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1sfx s VAL 73 Cb -0.40 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1sfx s VAL 73 CO 0.53 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1sfx n GLY 74 N 3.35 -1.63 3.76 4.51 0.00 -0.98 -5.02 105.19 109.18 1sfx n GLY 74 Ca -0.19 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1sfx n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfx s TYR 75 N -2.53 3.29 0.38 1.61 2.02 -1.26 -0.53 117.35 120.33 1sfx s TYR 75 Ca 0.00 0.25 0.08 0.00 -0.37 0.00 0.00 57.07 57.03 1sfx s TYR 75 Cb 0.00 -1.79 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1sfx s TYR 75 CO 0.00 0.55 0.09 0.96 -1.57 0.00 0.00 175.55 175.58 1sfx s ILE 76 N -1.06 2.45 -0.06 2.71 -4.36 -0.31 -4.62 121.20 115.95 1sfx s ILE 76 Ca 0.18 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1sfx s ILE 76 Cb -0.12 -2.92 -0.00 0.00 1.25 0.00 0.00 42.46 40.68 1sfx s ILE 76 CO 0.08 -0.10 -0.19 -0.31 0.24 0.00 0.00 174.94 174.67 1sfx s TYR 77 N -2.57 1.96 0.02 1.37 2.02 -1.26 -0.96 117.35 117.92 1sfx s TYR 77 Ca 0.37 -0.64 0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1sfx s TYR 77 Cb 0.03 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1sfx s TYR 77 CO 0.21 -0.23 -0.16 -1.12 -1.57 0.00 0.00 175.55 172.68 1sfx s SER 78 N 0.14 1.84 0.11 2.29 0.01 -0.08 -4.22 113.70 113.80 1sfx s SER 78 Ca -0.08 -0.38 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 1sfx s SER 78 Cb -0.14 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.85 1sfx s SER 78 CO 0.04 0.12 1.38 0.00 0.41 0.00 0.00 173.24 175.20 1sfx s ALA 79 N -0.61 3.58 0.65 1.44 0.00 -1.26 -0.75 121.76 124.82 1sfx s ALA 79 Ca 0.05 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 1sfx s ALA 79 Cb -0.07 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1sfx s ALA 79 CO 0.00 -0.61 1.21 -1.21 0.00 0.00 0.00 175.76 175.16 1sfx s GLU 80 N 1.11 2.64 0.67 0.00 0.41 -0.44 -4.86 118.70 118.23 1sfx s GLU 80 Ca 0.64 1.81 -0.13 0.00 -0.41 0.00 0.00 54.97 56.88 1sfx s GLU 80 Cb -0.37 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1sfx s GLU 80 CO 0.30 -1.46 1.08 0.15 -0.49 0.00 0.00 175.26 174.84 1sfx s LYS 81 N -3.58 2.86 0.28 1.61 -0.14 -1.26 -4.72 119.74 114.80 1sfx s LYS 81 Ca 0.76 1.18 0.02 0.00 -1.36 0.00 0.00 55.97 56.58 1sfx s LYS 81 Cb -0.30 -1.97 0.61 0.00 -1.68 0.00 0.00 37.83 34.48 1sfx s LYS 81 CO 0.38 -1.17 1.80 -1.35 -0.76 0.00 0.00 175.35 174.25 1sfx h PRO 82 N -0.28 0.80 -0.89 -1.68 0.11 -1.99 -0.87 132.00 127.20 1sfx h PRO 82 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1sfx h PRO 82 Cb 1.23 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1sfx h PRO 82 CO 0.55 0.53 0.58 1.05 -0.21 0.00 0.00 178.00 180.50 1sfx h GLU 83 N 0.82 1.06 -0.13 1.05 9.09 -1.99 -0.59 114.58 123.89 1sfx h GLU 83 Ca 0.52 -0.06 -0.08 0.00 0.05 0.00 0.00 59.36 59.78 1sfx h GLU 83 Cb 0.67 -0.24 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1sfx h GLU 83 CO -0.33 0.70 -0.22 -0.22 0.05 0.00 0.00 179.01 178.99 1sfx h LYS 84 N 1.09 0.38 -0.53 1.06 1.63 -1.55 -1.75 116.57 116.90 1sfx h LYS 84 Ca 0.36 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.98 1sfx h LYS 84 Cb 0.05 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 1sfx h LYS 84 CO -0.11 0.82 0.25 0.28 -3.45 0.00 0.00 179.45 177.24 1sfx h VAL 85 N -0.02 0.91 -0.14 2.00 2.07 -0.97 -1.19 116.25 118.90 1sfx h VAL 85 Ca 0.01 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1sfx h VAL 85 Cb 0.79 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1sfx h VAL 85 CO 0.05 0.09 -0.58 -0.07 0.02 0.00 0.00 177.57 177.08 1sfx h LEU 86 N 0.48 0.51 -0.34 2.57 3.38 -1.10 -0.72 115.31 120.08 1sfx h LEU 86 Ca 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sfx h LEU 86 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1sfx h LEU 86 CO -0.19 0.97 0.20 0.50 0.09 0.00 0.00 178.44 180.01 1sfx h LYS 87 N 0.34 0.46 -0.30 1.13 3.64 -1.04 -0.63 116.57 120.17 1sfx h LYS 87 Ca 0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1sfx h LYS 87 Cb 1.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1sfx h LYS 87 CO 0.10 0.36 -0.07 0.93 -2.27 0.00 0.00 179.45 178.50 1sfx h GLU 88 N 0.43 0.58 -0.43 1.90 4.39 -1.03 -1.75 114.58 118.66 1sfx h GLU 88 Ca 0.12 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1sfx h GLU 88 Cb 0.03 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1sfx h GLU 88 CO -0.02 0.77 0.26 0.35 -1.16 0.00 0.00 179.01 179.21 1sfx h PHE 89 N 0.35 0.57 -0.45 4.33 3.57 -1.07 -0.97 116.94 123.26 1sfx h PHE 89 Ca 0.08 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1sfx h PHE 89 Cb 0.56 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1sfx h PHE 89 CO 0.05 0.40 0.20 -0.22 -2.23 0.00 0.00 178.31 176.50 1sfx h LYS 90 N 0.58 0.38 -0.82 1.11 3.64 -1.03 -0.72 116.57 119.71 1sfx h LYS 90 Ca 0.16 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1sfx h LYS 90 Cb -0.01 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1sfx h LYS 90 CO -0.03 0.25 0.44 1.03 -2.27 0.00 0.00 179.45 178.87 1sfx h SER 91 N 0.39 1.02 -0.33 4.20 0.87 -1.03 -1.25 113.55 117.42 1sfx h SER 91 Ca 0.20 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1sfx h SER 91 Cb 0.15 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1sfx h SER 91 CO -0.17 0.83 0.03 0.77 -0.53 0.00 0.00 176.83 177.76 1sfx h SER 92 N 1.14 0.55 -0.00 6.23 4.64 -0.53 -1.21 113.55 124.36 1sfx h SER 92 Ca 0.29 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 1sfx h SER 92 Cb 0.04 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1sfx h SER 92 CO -0.04 0.69 -0.65 -0.29 -0.87 0.00 0.00 176.83 175.67 1sfx h ILE 93 N 0.39 1.32 -0.73 0.95 6.09 -1.01 -1.84 117.51 122.68 1sfx h ILE 93 Ca 0.10 -1.92 -0.02 0.00 -1.37 0.00 0.00 64.86 61.65 1sfx h ILE 93 Cb 0.39 1.89 -0.03 0.00 0.47 0.00 0.00 36.82 39.53 1sfx h ILE 93 CO 0.01 0.60 0.36 -0.07 -3.07 0.00 0.00 178.15 175.98 1sfx h LEU 94 N 0.45 0.93 -0.70 2.19 3.38 -1.20 -1.01 115.31 119.36 1sfx h LEU 94 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1sfx h LEU 94 Cb 1.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1sfx h LEU 94 CO 0.13 0.78 0.38 1.23 0.09 0.00 0.00 178.44 181.05 1sfx h GLY 95 N 1.08 1.05 0.98 0.83 0.00 -0.95 -0.55 103.07 105.51 1sfx h GLY 95 Ca 0.25 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1sfx h GLY 95 CO -0.03 0.46 0.07 0.83 0.00 0.00 0.00 176.54 177.87 1sfx h GLU 96 N 0.96 0.81 -0.68 4.80 4.39 -0.89 -2.22 114.58 121.74 1sfx h GLU 96 Ca 0.25 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1sfx h GLU 96 Cb 0.04 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1sfx h GLU 96 CO -0.04 0.81 0.16 0.82 -1.16 0.00 0.00 179.01 179.60 1sfx h ILE 97 N 0.68 1.26 -0.77 3.13 2.04 -0.97 -1.69 117.51 121.19 1sfx h ILE 97 Ca 0.15 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1sfx h ILE 97 Cb 0.40 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1sfx h ILE 97 CO 0.01 0.37 0.44 -0.08 0.00 0.00 0.00 178.15 178.89 1sfx h GLU 98 N 1.02 1.04 -0.34 2.37 4.81 -0.92 0.61 114.58 123.19 1sfx h GLU 98 Ca 0.21 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1sfx h GLU 98 Cb 0.38 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1sfx h GLU 98 CO 0.00 0.74 -0.09 0.00 -0.73 0.00 0.00 179.01 178.94 1sfx h ARG 99 N 1.06 0.65 -0.56 1.92 3.08 -1.09 -3.16 114.38 116.27 1sfx h ARG 99 Ca 0.27 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1sfx h ARG 99 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1sfx h ARG 99 CO -0.05 0.83 0.16 0.82 -1.07 0.00 0.00 179.97 180.66 1sfx h ILE 100 N 0.44 1.22 -0.78 2.04 2.04 -0.64 -2.31 117.51 119.52 1sfx h ILE 100 Ca 0.08 -0.77 0.17 0.00 1.00 0.00 0.00 64.86 65.35 1sfx h ILE 100 Cb 0.59 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1sfx h ILE 100 CO 0.03 0.29 0.53 -0.33 0.00 0.00 0.00 178.15 178.67 1sfx h GLU 101 N 0.82 0.31 -2.20 2.37 5.08 -0.87 -3.31 114.58 116.80 1sfx h GLU 101 Ca 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1sfx h GLU 101 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1sfx h GLU 101 CO -0.01 0.21 0.08 1.63 -1.00 0.00 0.00 179.01 179.92 1sfx n LYS 102 N -4.45 0.27 0.00 2.33 5.02 -0.87 -2.97 118.16 117.48 1sfx n LYS 102 Ca 0.15 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1sfx n LYS 102 Cb 0.62 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1sfx n LYS 102 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1sfx n PHE 104 N 2.14 0.00 -1.85 2.13 3.72 -1.25 -5.07 117.46 117.28 1sfx n PHE 104 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 1sfx n PHE 104 Cb 0.13 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1sfx n PHE 104 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1sfx s THR 105 N 0.00 2.25 0.49 4.37 -4.23 -1.16 -5.03 115.64 112.33 1sfx s THR 105 Ca 0.00 0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1sfx s THR 105 Cb 0.00 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1sfx s THR 105 CO 0.00 -0.02 0.61 -1.81 -0.54 0.00 0.00 174.62 172.85 1sfx s ASP 106 N -1.31 5.26 0.89 3.99 1.01 -1.26 -5.00 116.67 120.25 1sfx s ASP 106 Ca 0.77 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1sfx s ASP 106 Cb -0.36 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.38 1sfx s ASP 106 CO 0.40 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1sfx n GLY 107 N -1.94 2.71 0.00 0.21 0.00 -1.26 -5.27 105.19 99.64 1sfx n GLY 107 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1sfx n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06