#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq s SER 2 N 0.00 0.37 0.08 1.61 0.01 -1.26 -5.18 113.70 109.33 1ueq s SER 2 Ca 0.00 -1.29 -0.12 0.00 1.31 0.00 0.00 55.95 55.85 1ueq s SER 2 Cb 0.00 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1ueq s SER 2 CO 0.00 -1.06 0.28 -0.44 0.41 0.00 0.00 173.24 172.43 1ueq s SER 3 N -3.15 -0.06 0.00 2.44 0.01 -1.26 -5.13 113.70 106.56 1ueq s SER 3 Ca 0.32 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1ueq s SER 3 Cb 0.02 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1ueq s SER 3 CO 0.14 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1ueq n GLY 4 N 0.16 1.41 2.64 3.44 0.00 -1.26 -5.05 105.19 106.53 1ueq n GLY 4 Ca -0.17 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1ueq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ueq n SER 5 N -0.25 -2.48 -4.70 1.61 7.64 -1.26 -5.15 113.62 109.02 1ueq n SER 5 Ca 0.00 -2.93 -0.30 0.00 1.01 0.00 0.00 58.87 56.65 1ueq n SER 5 Cb 0.00 1.19 0.14 0.00 -1.01 0.00 0.00 64.21 64.53 1ueq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ueq s SER 6 N -0.21 3.43 0.00 6.43 0.01 -1.26 -5.01 113.70 117.09 1ueq s SER 6 Ca 0.32 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.32 1ueq s SER 6 Cb 0.09 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1ueq s SER 6 CO -0.14 -2.70 0.00 0.61 0.41 0.00 0.00 173.24 171.42 1ueq n GLY 7 N -0.68 1.79 0.86 3.44 0.00 -1.26 -5.07 105.19 104.26 1ueq n GLY 7 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ueq n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ueq n LEU 8 N 0.00 0.61 -4.54 0.99 -0.00 -1.26 -5.10 117.00 107.70 1ueq n LEU 8 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.66 1ueq n LEU 8 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.52 1ueq n LEU 8 CO 0.00 -0.05 0.30 0.33 -0.00 0.00 0.00 177.39 177.97 1ueq n PHE 9 N -2.38 -0.12 0.00 1.96 -0.00 -1.26 -5.03 117.46 110.63 1ueq n PHE 9 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1ueq n PHE 9 Cb 0.23 -1.97 0.00 0.00 -0.00 0.00 0.00 39.48 37.74 1ueq n PHE 9 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1ueq n THR 10 N -2.88 0.00 0.00 -2.13 -1.04 -1.26 -5.04 114.28 101.92 1ueq n THR 10 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ueq n THR 10 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1ueq n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ueq n ARG 11 N 0.00 0.00 -0.14 -2.82 1.74 -1.26 -4.95 116.66 109.24 1ueq n ARG 11 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1ueq n ARG 11 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1ueq n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ueq n ASP 12 N 0.00 1.75 0.00 0.55 2.03 -1.26 -4.97 116.55 114.65 1ueq n ASP 12 Ca 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.67 1ueq n ASP 12 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ueq n ALA 13 N -0.97 0.00 -0.14 -1.67 0.00 -1.26 -4.80 120.51 111.67 1ueq n ALA 13 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 1ueq n ALA 13 Cb 0.59 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 1ueq n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ueq h SER 14 N 0.00 0.72 0.00 0.00 0.87 -1.97 -3.13 113.55 110.04 1ueq h SER 14 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1ueq h SER 14 Cb 0.00 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1ueq h SER 14 CO 0.00 0.86 0.00 0.00 -0.53 0.00 0.00 176.83 177.16 1ueq n GLN 15 N -4.42 0.92 -1.47 2.24 6.02 -1.26 -4.82 117.38 114.59 1ueq n GLN 15 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 1ueq n GLN 15 Cb 0.30 -1.15 0.10 0.00 1.02 0.00 0.00 30.24 30.52 1ueq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ueq s LEU 16 N -1.29 2.53 0.00 1.08 1.43 -1.19 -5.01 118.68 116.23 1ueq s LEU 16 Ca 0.13 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1ueq s LEU 16 Cb 0.06 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1ueq s LEU 16 CO 0.10 -2.13 0.22 0.29 0.23 0.00 0.00 176.35 175.06 1ueq n LYS 17 N -3.54 0.23 -1.85 1.70 4.76 -1.26 -5.06 118.16 113.14 1ueq n LYS 17 Ca 0.07 -0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 55.00 1ueq n LYS 17 Cb 0.56 -0.68 0.15 0.00 -1.84 0.00 0.00 35.03 33.22 1ueq n LYS 17 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ueq s GLY 18 N -0.09 1.68 0.33 0.72 0.00 -1.26 -5.09 107.32 103.60 1ueq s GLY 18 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 1ueq s GLY 18 CO 0.00 -0.27 0.73 -1.59 0.00 0.00 0.00 173.10 171.97 1ueq s THR 19 N -3.68 4.70 0.02 0.90 2.01 -1.26 -4.86 115.64 113.47 1ueq s THR 19 Ca 0.68 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.56 1ueq s THR 19 Cb -0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ueq s THR 19 CO 0.52 -0.21 0.18 -0.36 -0.69 0.00 0.00 174.62 174.06 1ueq s PHE 20 N -2.01 3.52 0.11 4.92 0.40 -1.26 -0.74 117.98 122.92 1ueq s PHE 20 Ca 0.54 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 57.16 1ueq s PHE 20 Cb -0.10 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1ueq s PHE 20 CO 0.19 0.62 0.04 -0.51 0.70 0.00 0.00 175.22 176.26 1ueq s LEU 21 N -2.12 1.93 -0.14 -0.37 1.02 -0.15 -4.96 118.68 113.89 1ueq s LEU 21 Ca 0.30 -1.13 -0.05 0.00 0.02 0.00 0.00 54.13 53.26 1ueq s LEU 21 Cb -0.13 0.31 0.07 0.00 0.02 0.00 0.00 46.19 46.46 1ueq s LEU 21 CO 0.21 -0.70 0.28 -0.94 0.02 0.00 0.00 176.35 175.22 1ueq s SER 22 N -3.01 0.29 0.10 2.29 1.04 -1.26 -1.41 113.70 111.74 1ueq s SER 22 Ca 0.19 0.63 0.07 0.00 0.48 0.00 0.00 55.95 57.32 1ueq s SER 22 Cb 0.07 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.93 1ueq s SER 22 CO -0.02 -0.24 -0.18 0.28 0.98 0.00 0.00 173.24 174.07 1ueq s THR 23 N 2.44 1.46 -0.22 2.02 -1.32 -1.16 -5.00 115.64 113.86 1ueq s THR 23 Ca 0.01 -1.49 0.02 0.00 -1.21 0.00 0.00 61.69 59.02 1ueq s THR 23 Cb -0.12 -1.39 0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1ueq s THR 23 CO -0.09 -0.17 -0.14 -0.89 -2.21 0.00 0.00 174.62 171.12 1ueq s THR 24 N -1.34 2.22 -0.14 5.08 2.01 -1.26 -0.83 115.64 121.38 1ueq s THR 24 Ca 0.04 -1.26 -0.10 0.00 0.31 0.00 0.00 61.69 60.68 1ueq s THR 24 Cb -0.09 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1ueq s THR 24 CO 0.03 0.24 0.18 -0.76 -0.69 0.00 0.00 174.62 173.63 1ueq s LEU 25 N 1.21 4.31 0.20 4.42 1.43 0.06 -4.86 118.68 125.46 1ueq s LEU 25 Ca -0.02 0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 53.26 1ueq s LEU 25 Cb -0.17 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 1ueq s LEU 25 CO -0.08 0.27 0.83 -0.75 0.23 0.00 0.00 176.35 176.85 1ueq s LYS 26 N -0.32 4.61 -0.53 1.70 2.20 -1.26 -1.06 119.74 125.09 1ueq s LYS 26 Ca 0.14 1.23 -0.26 0.00 -0.36 0.00 0.00 55.97 56.71 1ueq s LYS 26 Cb -0.12 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1ueq s LYS 26 CO 0.03 0.51 2.10 0.21 -0.36 0.00 0.00 175.35 177.84 1ueq s LYS 27 N -1.33 2.48 0.06 4.03 2.47 0.51 -4.78 119.74 123.17 1ueq s LYS 27 Ca 0.39 1.06 -0.04 0.00 -1.56 0.00 0.00 55.97 55.82 1ueq s LYS 27 Cb -0.23 -4.46 -0.02 0.00 -1.46 0.00 0.00 37.83 31.66 1ueq s LYS 27 CO 0.27 -2.88 0.05 -1.12 0.16 0.00 0.00 175.35 171.83 1ueq s SER 28 N 9.68 0.32 0.00 1.43 0.01 0.25 -2.08 113.70 123.30 1ueq s SER 28 Ca 0.82 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1ueq s SER 28 Cb -0.16 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1ueq s SER 28 CO 0.24 -0.60 0.00 0.59 0.41 0.00 0.00 173.24 173.89 1ueq n ASN 29 N 0.28 0.00 -3.43 2.44 4.13 -1.26 -1.85 115.26 115.56 1ueq n ASN 29 Ca -0.16 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.83 1ueq n ASN 29 Cb 0.61 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.73 1ueq n ASN 29 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1ueq s MET 30 N 0.00 0.61 6.08 3.52 -1.94 -1.26 -5.10 119.30 121.22 1ueq s MET 30 Ca 0.00 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1ueq s MET 30 Cb 0.00 -1.23 0.00 0.00 2.01 0.00 0.00 34.83 35.61 1ueq s MET 30 CO 0.00 -1.24 0.00 0.41 -0.01 0.00 0.00 175.02 174.18 1ueq n GLY 31 N 3.88 1.60 3.18 -0.03 0.00 -0.77 -4.61 105.19 108.44 1ueq n GLY 31 Ca 0.15 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1ueq n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ueq s PHE 32 N 0.00 1.64 -0.02 1.61 0.08 -1.26 -0.59 117.98 119.45 1ueq s PHE 32 Ca 0.00 -0.31 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 1ueq s PHE 32 Cb 0.00 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1ueq s PHE 32 CO 0.00 -0.02 1.89 0.41 -0.10 0.00 0.00 175.22 177.40 1ueq n GLY 33 N 2.58 2.53 3.43 4.36 0.00 -1.26 -4.73 105.19 112.10 1ueq n GLY 33 Ca -0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ueq n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ueq s PHE 34 N -0.09 0.60 0.23 1.61 -0.71 -1.26 -0.79 117.98 117.57 1ueq s PHE 34 Ca 0.02 -0.92 0.03 0.00 -1.04 0.00 0.00 56.93 55.02 1ueq s PHE 34 Cb 0.01 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 1ueq s PHE 34 CO 0.00 -0.84 0.01 0.95 -1.34 0.00 0.00 175.22 174.00 1ueq s THR 35 N -4.05 0.97 0.26 -4.49 -4.23 -0.10 -4.87 115.64 99.13 1ueq s THR 35 Ca 0.26 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1ueq s THR 35 Cb 0.02 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 1ueq s THR 35 CO 0.08 -0.29 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.12 1ueq s ILE 36 N -3.46 1.92 0.06 2.99 1.09 -1.26 -0.29 121.20 122.25 1ueq s ILE 36 Ca 0.29 -2.22 0.01 0.00 -1.10 0.00 0.00 60.65 57.63 1ueq s ILE 36 Cb 0.06 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 39.12 1ueq s ILE 36 CO 0.09 -0.41 -0.06 -0.51 -0.10 0.00 0.00 174.94 173.95 1ueq s ILE 37 N -2.84 0.53 0.04 2.92 2.07 -0.19 -4.53 121.20 119.19 1ueq s ILE 37 Ca 0.28 -1.47 0.01 0.00 -1.41 0.00 0.00 60.65 58.05 1ueq s ILE 37 Cb 0.00 -1.09 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1ueq s ILE 37 CO 0.11 -0.65 -0.04 -0.83 -1.91 0.00 0.00 174.94 171.62 1ueq s GLY 38 N -2.28 0.38 0.02 1.50 0.00 -1.26 -0.76 107.32 104.93 1ueq s GLY 38 Ca -0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 1ueq s GLY 38 CO -0.03 -0.86 1.12 -1.33 0.00 0.00 0.00 173.10 172.01 1ueq h GLY 39 N 4.27 -1.38 0.00 0.20 0.00 -1.81 -3.46 103.07 100.88 1ueq h GLY 39 Ca -0.33 0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1ueq h GLY 39 CO 0.46 -0.48 0.00 1.34 0.00 0.00 0.00 176.54 177.86 1ueq n ASP 40 N -3.17 0.00 -4.68 0.19 2.03 -1.26 -5.11 116.55 104.55 1ueq n ASP 40 Ca -0.02 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.04 1ueq n ASP 40 Cb 0.09 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.40 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 41 N -0.71 2.11 -1.26 -0.67 2.02 -1.26 -4.63 118.70 114.29 1ueq s GLU 41 Ca 0.00 -1.90 -0.18 0.00 0.02 0.00 0.00 54.97 52.91 1ueq s GLU 41 Cb 0.00 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.37 1ueq s GLU 41 CO 0.00 -0.04 1.95 -0.35 0.02 0.00 0.00 175.26 176.84 1ueq n PRO 42 N -1.10 2.62 0.00 0.39 -0.04 -1.26 -2.91 135.00 132.70 1ueq n PRO 42 Ca -0.03 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1ueq n PRO 42 Cb 0.65 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ueq n ASP 43 N 8.41 0.00 -4.74 3.54 8.00 -1.24 -4.85 116.55 125.66 1ueq n ASP 43 Ca 0.49 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.59 1ueq n ASP 43 Cb 0.43 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ueq s GLU 44 N -0.73 4.79 0.10 -1.24 8.01 -1.15 -4.90 118.70 123.59 1ueq s GLU 44 Ca 0.00 1.46 -0.31 0.00 0.01 0.00 0.00 54.97 56.13 1ueq s GLU 44 Cb 0.00 -3.32 -0.07 0.00 -4.31 0.00 0.00 34.13 26.43 1ueq s GLU 44 CO 0.00 0.40 1.31 -0.06 0.01 0.00 0.00 175.26 176.93 1ueq s PHE 45 N -0.73 3.32 0.14 1.61 0.08 -1.26 -4.58 117.98 116.56 1ueq s PHE 45 Ca 0.43 1.11 -0.28 0.00 0.12 0.00 0.00 56.93 58.31 1ueq s PHE 45 Cb -0.25 -3.58 -0.07 0.00 -0.57 0.00 0.00 43.02 38.55 1ueq s PHE 45 CO 0.31 -1.93 0.88 -0.51 -0.10 0.00 0.00 175.22 173.86 1ueq s LEU 46 N 0.96 4.55 0.05 -0.37 1.43 -1.25 -4.53 118.68 119.51 1ueq s LEU 46 Ca 0.62 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1ueq s LEU 46 Cb -0.34 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1ueq s LEU 46 CO 0.31 0.07 -0.07 -1.10 0.23 0.00 0.00 176.35 175.79 1ueq s GLN 47 N -0.56 0.54 -0.19 1.70 -0.21 0.06 -0.52 119.66 120.48 1ueq s GLN 47 Ca 0.41 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 1ueq s GLN 47 Cb -0.23 -0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.53 1ueq s GLN 47 CO 0.28 0.02 2.02 0.08 -2.12 0.00 0.00 175.29 175.57 1ueq s VAL 48 N -1.82 3.19 0.01 1.09 1.01 0.53 -1.02 120.40 123.39 1ueq s VAL 48 Ca -0.07 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1ueq s VAL 48 Cb -0.07 -3.22 -0.17 0.00 0.00 0.00 0.00 36.38 32.92 1ueq s VAL 48 CO -0.01 -0.12 1.32 0.50 0.00 0.00 0.00 175.10 176.80 1ueq h LYS 49 N 13.32 -0.27 -2.91 2.72 3.64 -0.89 -0.76 116.57 131.43 1ueq h LYS 49 Ca -0.40 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 1ueq h LYS 49 Cb 1.21 0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 32.90 1ueq h LYS 49 CO 0.97 0.05 -0.22 -1.12 -2.27 0.00 0.00 179.45 176.86 1ueq s SER 50 N -5.21 -0.25 -0.26 4.20 0.01 -1.21 -4.67 113.70 106.31 1ueq s SER 50 Ca -0.15 0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1ueq s SER 50 Cb 0.03 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1ueq s SER 50 CO 0.59 -0.47 0.53 -0.69 0.41 0.00 0.00 173.24 173.61 1ueq s VAL 51 N -1.31 5.06 0.11 3.43 1.01 -1.26 -0.92 120.40 126.52 1ueq s VAL 51 Ca -0.13 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 1ueq s VAL 51 Cb -0.05 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1ueq s VAL 51 CO 0.05 0.08 1.50 -0.63 0.00 0.00 0.00 175.10 176.10 1ueq s ILE 52 N 2.33 3.05 0.73 2.22 1.09 0.03 -4.95 121.20 125.70 1ueq s ILE 52 Ca 0.22 0.69 -0.13 0.00 -1.10 0.00 0.00 60.65 60.33 1ueq s ILE 52 Cb -0.16 -3.45 0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1ueq s ILE 52 CO 0.09 0.04 1.11 -2.16 -0.10 0.00 0.00 174.94 173.92 1ueq s PRO 53 N 1.53 2.41 -1.30 2.79 0.04 -1.26 -3.56 135.00 135.65 1ueq s PRO 53 Ca 0.68 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 1ueq s PRO 53 Cb -0.39 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ueq s PRO 53 CO 0.31 -1.55 0.42 -3.47 0.04 0.00 0.00 177.00 172.75 1ueq n ASP 54 N -3.00 -2.22 -4.23 6.66 -0.08 -1.26 -4.99 116.55 107.42 1ueq n ASP 54 Ca 0.10 -1.27 -0.13 0.00 -1.51 0.00 0.00 54.79 51.98 1ueq n ASP 54 Cb 0.52 -1.54 -0.10 0.00 2.34 0.00 0.00 41.12 42.34 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ueq s GLY 55 N -3.85 1.35 0.47 0.27 0.00 -1.23 -5.04 107.32 99.28 1ueq s GLY 55 Ca 0.31 -1.66 0.31 0.00 0.00 0.00 0.00 44.72 43.69 1ueq s GLY 55 CO 0.96 -1.48 1.93 -0.56 0.00 0.00 0.00 173.10 173.95 1ueq h PRO 56 N 2.64 0.00 0.33 2.90 0.13 -1.88 -0.95 132.00 135.17 1ueq h PRO 56 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1ueq h PRO 56 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ueq h PRO 56 CO 0.59 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.20 1ueq h ALA 57 N 2.08 -0.44 -0.94 -0.56 0.00 -1.89 -3.12 119.26 114.38 1ueq h ALA 57 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1ueq h ALA 57 Cb 0.42 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1ueq h ALA 57 CO 0.00 -0.47 0.60 0.00 0.00 0.00 0.00 179.25 179.38 1ueq h ALA 58 N -0.74 1.93 0.00 0.00 0.00 -1.54 0.24 119.26 119.15 1ueq h ALA 58 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ueq h ALA 58 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ueq h ALA 58 CO 0.07 -0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.13 1ueq n GLN 59 N -4.61 0.22 0.14 0.00 6.02 -0.45 -2.90 117.38 115.81 1ueq n GLN 59 Ca 0.20 0.19 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 1ueq n GLN 59 Cb 0.60 -1.76 0.05 0.00 1.02 0.00 0.00 30.24 30.15 1ueq n GLN 59 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1ueq h ASP 60 N 0.00 0.00 -1.60 1.08 3.58 -0.88 -3.49 116.42 115.11 1ueq h ASP 60 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1ueq h ASP 60 Cb 0.70 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1ueq h ASP 60 CO 0.00 0.22 -0.28 0.61 -2.88 0.00 0.00 179.24 176.91 1ueq n GLY 61 N 1.20 -0.08 0.00 -0.78 0.00 -1.07 -4.89 105.19 99.57 1ueq n GLY 61 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ueq n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ueq n LYS 62 N -2.07 2.40 -3.14 1.61 5.02 -1.26 -5.04 118.16 115.69 1ueq n LYS 62 Ca -0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 1ueq n LYS 62 Cb 0.60 -0.95 -0.06 0.00 -0.02 0.00 0.00 35.03 34.60 1ueq n LYS 62 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ueq s MET 63 N -1.86 4.32 0.28 1.97 0.00 -1.26 -4.97 119.30 117.78 1ueq s MET 63 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 55.69 56.61 1ueq s MET 63 Cb 0.00 -3.12 -0.06 0.00 0.00 0.00 0.00 34.83 31.65 1ueq s MET 63 CO 0.00 0.54 0.06 -1.21 0.00 0.00 0.00 175.02 174.41 1ueq s GLU 64 N -1.42 1.50 0.47 4.11 2.02 -1.26 -4.87 118.70 119.25 1ueq s GLU 64 Ca 0.36 -1.81 -0.24 0.00 0.02 0.00 0.00 54.97 53.30 1ueq s GLU 64 Cb -0.20 -0.57 -0.07 0.00 0.10 0.00 0.00 34.13 33.39 1ueq s GLU 64 CO 0.22 -0.22 1.28 0.99 0.02 0.00 0.00 175.26 177.55 1ueq s THR 65 N -3.51 2.59 0.00 3.63 2.01 -1.26 -3.05 115.64 116.05 1ueq s THR 65 Ca 0.36 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1ueq s THR 65 Cb 0.08 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1ueq s THR 65 CO 0.14 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1ueq n GLY 66 N 0.61 2.98 3.76 4.40 0.00 -0.29 -4.96 105.19 111.69 1ueq n GLY 66 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ueq n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ueq s ASP 67 N -1.32 5.80 -0.26 1.61 1.01 -1.17 -4.53 116.67 117.80 1ueq s ASP 67 Ca 0.00 2.85 -0.14 0.00 0.71 0.00 0.00 52.55 55.97 1ueq s ASP 67 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1ueq s ASP 67 CO 0.00 -1.22 0.35 -0.69 0.21 0.00 0.00 175.17 173.82 1ueq s VAL 68 N -1.24 5.20 -0.26 -1.27 1.01 -0.40 -0.35 120.40 123.10 1ueq s VAL 68 Ca 0.63 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1ueq s VAL 68 Cb -0.42 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ueq s VAL 68 CO 0.53 0.19 1.55 -0.63 0.00 0.00 0.00 175.10 176.75 1ueq s ILE 69 N 1.89 3.78 -0.13 2.22 1.09 0.32 -1.09 121.20 129.27 1ueq s ILE 69 Ca 0.14 0.87 -0.08 0.00 -1.10 0.00 0.00 60.65 60.48 1ueq s ILE 69 Cb -0.16 -3.83 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 1ueq s ILE 69 CO 0.09 -0.38 -0.16 0.58 -0.10 0.00 0.00 174.94 174.98 1ueq h VAL 70 N 6.19 0.00 -3.95 2.92 2.07 -1.36 -3.40 116.25 118.71 1ueq h VAL 70 Ca -0.32 -0.96 -0.41 0.00 0.82 0.00 0.00 66.70 65.83 1ueq h VAL 70 Cb 1.14 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.69 1ueq h VAL 70 CO 1.02 0.00 -0.78 -0.31 0.02 0.00 0.00 177.57 177.52 1ueq s TYR 71 N -2.15 1.21 -0.17 1.57 2.02 -1.18 -1.72 117.35 116.93 1ueq s TYR 71 Ca -0.13 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1ueq s TYR 71 Cb 0.02 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.91 1ueq s TYR 71 CO 0.20 0.06 -0.19 0.42 -1.57 0.00 0.00 175.55 174.46 1ueq s ILE 72 N -1.25 1.96 0.00 2.71 1.01 -0.38 -1.55 121.20 123.70 1ueq s ILE 72 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1ueq s ILE 72 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1ueq s ILE 72 CO 0.02 0.53 0.00 -3.20 0.00 0.00 0.00 174.94 172.29 1ueq n ASN 73 N 4.55 0.00 0.00 3.58 5.15 0.71 -0.95 115.26 128.30 1ueq n ASN 73 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1ueq n ASN 73 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1ueq n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ueq n GLU 74 N 0.00 0.72 -2.11 1.20 1.02 -1.26 -4.62 120.64 115.60 1ueq n GLU 74 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ueq n GLU 74 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.33 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ueq s VAL 75 N -0.06 3.32 0.05 2.62 1.01 -0.12 -4.97 120.40 122.25 1ueq s VAL 75 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 1ueq s VAL 75 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1ueq s VAL 75 CO 0.00 0.02 1.31 0.00 0.00 0.00 0.00 175.10 176.44 1ueq n VAL 77 N 4.21 0.56 -0.12 0.00 0.24 -1.03 -4.90 118.33 117.29 1ueq n VAL 77 Ca 0.11 -0.66 0.02 0.00 -2.04 0.00 0.00 64.34 61.77 1ueq n VAL 77 Cb 0.44 0.40 0.32 0.00 -1.47 0.00 0.00 33.84 33.54 1ueq n VAL 77 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1ueq h LEU 78 N 0.00 0.69 -3.99 1.34 8.10 -1.55 -1.46 115.31 118.44 1ueq h LEU 78 Ca 0.00 -0.02 -0.43 0.00 0.11 0.00 0.00 57.88 57.54 1ueq h LEU 78 Cb 1.15 -0.17 -0.38 0.00 -0.44 0.00 0.00 40.66 40.82 1ueq h LEU 78 CO 0.00 0.51 -0.86 0.61 -4.11 0.00 0.00 178.44 174.59 1ueq n GLY 79 N -1.42 5.24 3.77 0.17 0.00 -1.26 -3.94 105.19 107.76 1ueq n GLY 79 Ca 0.06 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 1ueq n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ueq s HIS 80 N -3.51 2.44 0.27 1.61 3.76 -0.55 -3.62 115.29 115.70 1ueq s HIS 80 Ca 0.45 0.87 -0.29 0.00 -0.15 0.00 0.00 55.06 55.93 1ueq s HIS 80 Cb 0.39 -3.37 -0.09 0.00 1.11 0.00 0.00 32.58 30.61 1ueq s HIS 80 CO 0.01 -2.46 1.08 0.95 -0.85 0.00 0.00 174.74 173.47 1ueq s THR 81 N -3.23 3.55 0.22 1.30 -4.23 -1.26 -4.25 115.64 107.74 1ueq s THR 81 Ca 0.64 1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 62.63 1ueq s THR 81 Cb -0.15 -3.99 0.17 0.00 1.34 0.00 0.00 72.50 69.87 1ueq s THR 81 CO 0.54 0.37 1.72 -0.74 -0.54 0.00 0.00 174.62 175.98 1ueq h HIS 82 N 3.87 0.35 -0.06 3.99 2.76 -1.86 -1.50 115.15 122.70 1ueq h HIS 82 Ca -0.46 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 57.76 1ueq h HIS 82 Cb 1.21 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 1ueq h HIS 82 CO 0.59 0.04 0.13 0.00 -1.30 0.00 0.00 177.93 177.39 1ueq h ALA 83 N 1.48 1.38 0.00 5.26 0.00 -1.93 0.73 119.26 126.18 1ueq h ALA 83 Ca 0.34 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1ueq h ALA 83 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ueq h ALA 83 CO -0.37 -0.16 -1.07 0.22 0.00 0.00 0.00 179.25 177.87 1ueq h ASP 84 N 0.00 0.00 -0.81 0.00 3.58 -1.71 -3.33 116.42 114.15 1ueq h ASP 84 Ca 0.03 -0.44 0.12 0.00 0.42 0.00 0.00 57.03 57.15 1ueq h ASP 84 Cb 0.29 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.29 1ueq h ASP 84 CO -0.00 1.34 0.53 0.58 -2.88 0.00 0.00 179.24 178.81 1ueq h VAL 85 N -1.00 0.88 -0.70 2.25 2.07 -0.75 0.39 116.25 119.39 1ueq h VAL 85 Ca -0.27 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1ueq h VAL 85 Cb 1.15 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1ueq h VAL 85 CO -0.17 0.12 0.27 0.58 0.02 0.00 0.00 177.57 178.39 1ueq h VAL 86 N 0.65 1.25 -0.39 2.57 2.07 -1.08 -0.51 116.25 120.81 1ueq h VAL 86 Ca 0.39 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1ueq h VAL 86 Cb 0.61 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1ueq h VAL 86 CO -0.15 0.32 -0.18 0.07 0.02 0.00 0.00 177.57 177.64 1ueq h LYS 87 N 1.01 0.73 -0.55 1.57 2.10 -0.42 -1.68 116.57 119.32 1ueq h LYS 87 Ca 0.23 -0.27 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 1ueq h LYS 87 Cb 0.23 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 1ueq h LYS 87 CO -0.02 0.86 0.02 -0.07 -2.00 0.00 0.00 179.45 178.24 1ueq h LEU 88 N 0.65 0.90 -0.85 7.07 3.38 -0.66 -0.18 115.31 125.61 1ueq h LEU 88 Ca 0.10 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1ueq h LEU 88 Cb 0.66 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ueq h LEU 88 CO 0.05 0.95 -0.57 -0.26 0.09 0.00 0.00 178.44 178.69 1ueq h PHE 89 N 0.86 0.01 -0.50 1.13 0.04 -0.87 -2.57 116.94 115.04 1ueq h PHE 89 Ca 0.16 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.86 1ueq h PHE 89 Cb 0.48 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1ueq h PHE 89 CO 0.03 0.58 0.04 1.96 -0.60 0.00 0.00 178.31 180.32 1ueq h GLN 90 N 0.01 0.81 0.00 1.51 4.20 -0.44 -3.01 115.11 118.18 1ueq h GLN 90 Ca -0.01 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1ueq h GLN 90 Cb 1.01 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1ueq h GLN 90 CO 0.07 0.78 0.00 -1.13 -0.67 0.00 0.00 178.83 177.89 1ueq n SER 91 N -4.23 0.00 -4.46 1.46 3.41 -0.16 -4.35 113.62 105.29 1ueq n SER 91 Ca 0.03 0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 1ueq n SER 91 Cb 0.28 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ueq s VAL 92 N -2.62 4.62 0.87 -3.33 1.01 -1.14 -5.06 120.40 114.74 1ueq s VAL 92 Ca 0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1ueq s VAL 92 Cb 0.07 -4.47 0.11 0.00 0.00 0.00 0.00 36.38 32.09 1ueq s VAL 92 CO 0.15 -1.06 1.11 -2.16 0.00 0.00 0.00 175.10 173.14 1ueq s PRO 93 N 3.30 1.49 0.06 2.72 0.04 -1.26 -4.96 135.00 136.39 1ueq s PRO 93 Ca 0.20 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 1ueq s PRO 93 Cb -0.17 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1ueq s PRO 93 CO 0.13 -2.01 1.89 -0.89 0.04 0.00 0.00 177.00 176.16 1ueq n ILE 94 N -3.68 0.55 0.00 0.56 5.41 -1.26 -2.40 119.36 118.54 1ueq n ILE 94 Ca 0.07 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1ueq n ILE 94 Cb 0.57 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 1ueq n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ueq n GLY 95 N 4.35 0.87 3.89 7.39 0.00 -0.89 -5.03 105.19 115.79 1ueq n GLY 95 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ueq n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ueq s GLN 96 N -0.72 3.28 -0.02 1.61 -1.52 -1.01 -4.79 119.66 116.50 1ueq s GLN 96 Ca 0.00 0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.81 1ueq s GLN 96 Cb 0.00 -2.20 -0.01 0.00 -0.22 0.00 0.00 33.01 30.59 1ueq s GLN 96 CO 0.00 -0.59 -0.13 -1.54 -0.25 0.00 0.00 175.29 172.79 1ueq s SER 97 N -4.22 1.54 0.01 5.90 1.04 -1.26 -0.36 113.70 116.34 1ueq s SER 97 Ca 0.53 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.77 1ueq s SER 97 Cb -0.11 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 1ueq s SER 97 CO 0.49 0.13 -0.15 0.68 0.98 0.00 0.00 173.24 175.37 1ueq s VAL 98 N -0.10 1.17 0.55 5.02 -7.23 -0.22 -4.95 120.40 114.63 1ueq s VAL 98 Ca 0.01 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 1ueq s VAL 98 Cb -0.07 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1ueq s VAL 98 CO 0.00 0.19 0.94 0.21 -0.31 0.00 0.00 175.10 176.12 1ueq s ASN 99 N -0.72 6.29 -0.15 4.85 3.84 -1.26 -0.76 114.94 127.03 1ueq s ASN 99 Ca 0.04 1.27 -0.04 0.00 0.21 0.00 0.00 52.86 54.34 1ueq s ASN 99 Cb -0.07 -2.40 0.07 0.00 -0.55 0.00 0.00 41.25 38.31 1ueq s ASN 99 CO 0.00 -0.73 0.18 -0.76 -2.79 0.00 0.00 177.10 173.01 1ueq s LEU 100 N -4.86 -0.05 -0.34 3.21 1.43 -0.01 -0.21 118.68 117.85 1ueq s LEU 100 Ca 0.53 0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 1ueq s LEU 100 Cb -0.11 0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.40 1ueq s LEU 100 CO 0.48 -0.29 0.69 -0.69 0.23 0.00 0.00 176.35 176.76 1ueq s VAL 101 N 2.30 4.85 0.32 -1.59 1.01 -0.60 -2.96 120.40 123.73 1ueq s VAL 101 Ca 0.04 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1ueq s VAL 101 Cb -0.14 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1ueq s VAL 101 CO -0.09 -0.29 0.23 -0.76 0.00 0.00 0.00 175.10 174.18 1ueq s LEU 102 N 2.80 3.51 -0.10 3.92 1.43 -0.50 -1.00 118.68 128.75 1ueq s LEU 102 Ca 0.27 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1ueq s LEU 102 Cb -0.14 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1ueq s LEU 102 CO 0.14 -0.29 -0.21 0.00 0.23 0.00 0.00 176.35 176.22 1ueq s ARG 104 N 0.47 3.16 0.00 0.00 6.06 0.08 -1.27 118.95 127.45 1ueq s ARG 104 Ca -0.17 1.10 0.00 0.00 -2.50 0.00 0.00 55.73 54.17 1ueq s ARG 104 Cb -0.17 -2.02 0.00 0.00 0.06 0.00 0.00 34.95 32.82 1ueq s ARG 104 CO 0.07 -0.93 0.00 0.41 -2.50 0.00 0.00 175.30 172.35 1ueq n GLY 105 N -1.38 1.66 3.76 8.12 0.00 -1.26 -4.09 105.19 112.00 1ueq n GLY 105 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -2.50 2.91 1.19 1.61 2.02 -1.26 -4.98 117.35 116.34 1ueq s TYR 106 Ca 0.00 1.15 -0.18 0.00 -0.37 0.00 0.00 57.07 57.67 1ueq s TYR 106 Cb 0.00 -3.85 0.28 0.00 -0.40 0.00 0.00 41.96 37.99 1ueq s TYR 106 CO 0.00 -2.58 1.08 -1.25 -1.57 0.00 0.00 175.55 171.22 1ueq s PRO 107 N -1.19 -1.10 0.99 -1.71 0.04 -1.26 -4.71 135.00 126.06 1ueq s PRO 107 Ca 0.55 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1ueq s PRO 107 Cb -0.43 -1.59 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1ueq s PRO 107 CO 0.51 -3.67 1.10 1.28 0.04 0.00 0.00 177.00 176.26 1ueq n LEU 108 N -4.77 2.03 -0.04 -3.56 4.77 -1.26 -4.92 117.00 109.26 1ueq n LEU 108 Ca 0.11 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1ueq n LEU 108 Cb 0.59 -1.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.13 1ueq n LEU 108 CO 0.48 -2.48 0.32 1.55 -1.33 0.00 0.00 177.39 175.93 1ueq h PRO 109 N -2.11 0.08 -5.28 3.23 0.13 -1.96 -3.46 132.00 122.64 1ueq h PRO 109 Ca -0.48 -0.13 -0.64 0.00 -0.87 0.00 0.00 66.00 63.89 1ueq h PRO 109 Cb 1.29 0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.23 1ueq h PRO 109 CO 0.43 1.03 -0.68 0.12 -0.23 0.00 0.00 178.00 178.67 1ueq s PHE 110 N -2.40 2.99 -0.26 1.56 5.36 -1.26 -5.10 117.98 118.87 1ueq s PHE 110 Ca -0.17 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.36 1ueq s PHE 110 Cb -0.02 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.72 1ueq s PHE 110 CO 0.72 -0.10 0.00 -0.51 -1.46 0.00 0.00 175.22 173.88 1ueq s ASP 111 N 0.44 4.68 0.31 6.13 1.01 -1.26 -4.94 116.67 123.04 1ueq s ASP 111 Ca -0.05 -0.72 0.26 0.00 0.71 0.00 0.00 52.55 52.75 1ueq s ASP 111 Cb -0.14 -1.77 1.01 0.00 1.01 0.00 0.00 42.92 43.02 1ueq s ASP 111 CO 0.03 -0.14 1.77 1.55 0.21 0.00 0.00 175.17 178.59 1ueq h PRO 112 N 8.12 0.00 -0.00 8.23 0.13 -2.00 -3.26 132.00 143.23 1ueq h PRO 112 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ueq h PRO 112 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ueq h PRO 112 CO 0.59 0.00 -0.38 0.39 -0.23 0.00 0.00 178.00 178.37 1ueq n GLU 113 N -2.44 0.50 -0.01 0.86 1.02 -1.26 -3.85 120.64 115.45 1ueq n GLU 113 Ca 0.02 -0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 56.75 1ueq n GLU 113 Cb 0.29 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1ueq n GLU 113 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ueq h ASP 114 N 0.73 0.12 0.39 1.62 3.58 -1.98 -3.33 116.42 117.56 1ueq h ASP 114 Ca 0.00 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.28 1ueq h ASP 114 Cb 0.51 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1ueq h ASP 114 CO 0.00 0.24 -0.19 1.55 -2.88 0.00 0.00 179.24 177.96 1ueq h PRO 115 N -0.01 -0.51 0.00 0.28 0.13 -1.81 -3.49 132.00 126.59 1ueq h PRO 115 Ca 0.03 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ueq h PRO 115 Cb 0.16 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1ueq h PRO 115 CO -0.00 -0.34 0.00 0.00 -0.23 0.00 0.00 178.00 177.43 1ueq n ALA 116 N -2.49 0.00 -2.87 -0.56 0.00 -1.25 -5.19 120.51 108.15 1ueq n ALA 116 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ueq n ALA 116 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1ueq n ALA 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ueq n ASN 117 N 0.00 0.26 -2.89 0.00 3.02 -1.25 -4.92 115.26 109.48 1ueq n ASN 117 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1ueq n ASN 117 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ueq s SER 118 N 1.13 -0.71 0.40 6.41 0.01 -1.26 -5.03 113.70 114.64 1ueq s SER 118 Ca 0.00 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1ueq s SER 118 Cb 0.00 0.91 -0.05 0.00 0.21 0.00 0.00 66.02 67.10 1ueq s SER 118 CO 0.00 -0.07 0.70 -0.83 0.41 0.00 0.00 173.24 173.45 1ueq s GLY 119 N 1.83 1.70 -1.59 3.44 0.00 -1.26 -4.98 107.32 106.47 1ueq s GLY 119 Ca 0.16 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 1ueq s GLY 119 CO -0.12 -0.33 2.80 -1.55 0.00 0.00 0.00 173.10 173.90 1ueq n PRO 120 N -1.61 3.55 -1.71 2.90 -0.04 -1.26 -4.95 135.00 131.89 1ueq n PRO 120 Ca -0.00 -2.31 -0.37 0.00 -0.04 0.00 0.00 63.50 60.78 1ueq n PRO 120 Cb 0.55 -2.90 0.07 0.00 -0.04 0.00 0.00 33.50 31.18 1ueq n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ueq n SER 121 N 4.07 2.06 0.00 3.54 7.64 -1.26 -5.03 113.62 124.64 1ueq n SER 121 Ca 0.73 0.82 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1ueq n SER 121 Cb 0.26 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1ueq n SER 121 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ueq n SER 122 N -1.97 0.00 0.00 6.43 7.64 -1.26 -5.29 113.62 119.17 1ueq n SER 122 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ueq n SER 122 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64