#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq n SER 2 N 0.00 1.17 -4.66 1.61 3.41 -1.26 -4.99 113.62 108.90 1ueq n SER 2 Ca 0.00 1.07 -0.31 0.00 -0.26 0.00 0.00 58.87 59.37 1ueq n SER 2 Cb 0.00 -1.32 0.17 0.00 -0.26 0.00 0.00 64.21 62.80 1ueq n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ueq s SER 3 N -0.69 2.79 0.00 4.04 0.01 -1.26 -4.94 113.70 113.65 1ueq s SER 3 Ca 0.62 2.15 0.00 0.00 1.31 0.00 0.00 55.95 60.02 1ueq s SER 3 Cb -0.60 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.08 1ueq s SER 3 CO 0.58 -3.18 0.00 0.61 0.41 0.00 0.00 173.24 171.66 1ueq n GLY 4 N 0.24 0.10 1.89 3.44 0.00 -1.26 -5.14 105.19 104.46 1ueq n GLY 4 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 2.65 -7.37 -4.44 1.61 7.64 -1.26 -5.08 113.62 107.37 1ueq n SER 5 Ca 0.00 1.26 -0.22 0.00 1.01 0.00 0.00 58.87 60.92 1ueq n SER 5 Cb 0.00 -4.02 -0.10 0.00 -1.01 0.00 0.00 64.21 59.08 1ueq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ueq s SER 6 N -0.42 2.85 0.00 6.43 1.04 -1.26 -5.12 113.70 117.22 1ueq s SER 6 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1ueq s SER 6 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1ueq s SER 6 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1ueq n GLY 7 N -0.61 2.03 2.45 7.32 0.00 -1.26 -5.07 105.19 110.05 1ueq n GLY 7 Ca -0.05 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.73 -1.13 0.99 -0.00 -1.26 -5.06 117.00 113.28 1ueq n LEU 8 Ca 0.00 -5.21 0.12 0.00 -0.00 0.00 0.00 56.01 50.92 1ueq n LEU 8 Cb 0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 43.42 43.00 1ueq n LEU 8 CO 0.00 2.00 -0.36 0.33 -0.00 0.00 0.00 177.39 179.36 1ueq n PHE 9 N 1.24 -2.50 0.00 1.96 -0.00 -1.26 -5.00 117.46 111.90 1ueq n PHE 9 Ca 0.27 1.35 0.00 0.00 -0.00 0.00 0.00 57.45 59.06 1ueq n PHE 9 Cb 0.43 -2.27 0.00 0.00 -0.00 0.00 0.00 39.48 37.64 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 -3.70 0.00 0.00 -2.13 -1.04 -1.26 -5.04 114.28 101.11 1ueq n THR 10 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1ueq n THR 10 Cb 0.54 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.07 -2.82 1.74 -1.26 -4.88 116.66 109.37 1ueq n ARG 11 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1ueq n ARG 11 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.02 1.54 0.00 0.55 2.03 -1.26 -5.01 116.55 114.42 1ueq n ASP 12 Ca 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1ueq n ASP 12 Cb 0.00 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.61 0.00 0.29 -1.67 0.00 -1.26 -4.77 120.51 112.50 1ueq n ALA 13 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.65 1ueq n ALA 13 Cb 0.44 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.78 1ueq n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ueq h SER 14 N 0.00 0.00 -0.54 0.00 0.02 -1.97 -1.03 113.55 110.03 1ueq h SER 14 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ueq h SER 14 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ueq h SER 14 CO 0.00 0.05 0.04 0.00 -1.14 0.00 0.00 176.83 175.77 1ueq n GLN 15 N -3.34 4.37 0.00 3.45 6.02 -1.26 -4.87 117.38 121.75 1ueq n GLN 15 Ca -0.02 -2.83 0.00 0.00 -0.01 0.00 0.00 57.00 54.15 1ueq n GLN 15 Cb 0.19 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.26 1ueq n GLN 15 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ueq n LEU 16 N 0.46 0.00 0.00 1.08 4.77 -0.39 -4.96 117.00 117.96 1ueq n LEU 16 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1ueq n LEU 16 Cb 1.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 1ueq n LEU 16 CO 0.31 -0.22 0.12 0.29 -1.33 0.00 0.00 177.39 176.56 1ueq n LYS 17 N 0.00 0.00 0.00 3.23 4.76 -1.26 -5.03 118.16 119.86 1ueq n LYS 17 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ueq n LYS 17 Cb 0.00 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1ueq n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ueq n GLY 18 N 0.31 0.00 3.70 0.72 0.00 -1.26 -5.11 105.19 103.55 1ueq n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ueq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ueq s THR 19 N 0.00 4.99 -0.11 2.61 2.01 -1.26 -4.99 115.64 118.90 1ueq s THR 19 Ca 0.00 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.48 1ueq s THR 19 Cb 0.00 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1ueq s THR 19 CO 0.00 0.17 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.63 1ueq s PHE 20 N 1.32 1.65 0.15 4.92 0.40 -1.26 -0.81 117.98 124.35 1ueq s PHE 20 Ca 0.37 -0.79 0.08 0.00 -0.60 0.00 0.00 56.93 55.99 1ueq s PHE 20 Cb -0.17 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1ueq s PHE 20 CO 0.16 -0.47 -0.18 -0.51 0.70 0.00 0.00 175.22 174.92 1ueq s LEU 21 N 1.30 2.42 0.02 -0.37 2.01 -0.79 -5.02 118.68 118.26 1ueq s LEU 21 Ca -0.02 -0.84 -0.08 0.00 0.01 0.00 0.00 54.13 53.19 1ueq s LEU 21 Cb -0.14 -0.79 0.00 0.00 0.01 0.00 0.00 46.19 45.27 1ueq s LEU 21 CO -0.05 -0.05 0.16 -0.44 1.01 0.00 0.00 176.35 176.99 1ueq s SER 22 N -2.59 0.05 0.10 2.29 0.01 -1.26 -1.35 113.70 110.94 1ueq s SER 22 Ca 0.14 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 1ueq s SER 22 Cb -0.06 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.46 1ueq s SER 22 CO 0.06 -0.48 0.44 0.28 0.41 0.00 0.00 173.24 173.95 1ueq s THR 23 N -2.08 0.05 -0.14 1.44 -1.32 -0.94 -5.00 115.64 107.66 1ueq s THR 23 Ca -0.09 -0.45 -0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1ueq s THR 23 Cb -0.04 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1ueq s THR 23 CO -0.02 -0.25 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.16 1ueq s THR 24 N -3.27 1.29 0.10 5.08 2.01 -1.26 -0.72 115.64 118.87 1ueq s THR 24 Ca -0.00 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1ueq s THR 24 Cb 0.01 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1ueq s THR 24 CO -0.08 0.38 0.29 -0.76 -0.69 0.00 0.00 174.62 173.75 1ueq s LEU 25 N 1.60 4.31 0.53 4.42 1.43 -1.19 -4.97 118.68 124.81 1ueq s LEU 25 Ca 0.04 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1ueq s LEU 25 Cb -0.13 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 1ueq s LEU 25 CO -0.09 0.11 0.91 -0.75 0.23 0.00 0.00 176.35 176.75 1ueq s LYS 26 N -2.64 3.67 -0.75 1.70 2.20 -1.26 -2.74 119.74 119.92 1ueq s LYS 26 Ca 0.38 0.58 -0.26 0.00 -0.36 0.00 0.00 55.97 56.30 1ueq s LYS 26 Cb -0.12 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1ueq s LYS 26 CO 0.27 -0.33 1.47 0.21 -0.36 0.00 0.00 175.35 176.61 1ueq s LYS 27 N -4.66 3.07 0.12 4.03 2.47 0.27 -4.86 119.74 120.19 1ueq s LYS 27 Ca 0.53 -0.15 0.08 0.00 -1.56 0.00 0.00 55.97 54.87 1ueq s LYS 27 Cb -0.11 -4.41 -0.04 0.00 -1.46 0.00 0.00 37.83 31.81 1ueq s LYS 27 CO 0.44 -2.35 -0.19 -1.12 0.16 0.00 0.00 175.35 172.29 1ueq s SER 28 N 5.13 2.43 0.00 1.43 0.01 -1.26 -3.87 113.70 117.57 1ueq s SER 28 Ca 0.46 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1ueq s SER 28 Cb -0.08 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1ueq s SER 28 CO 0.13 -0.00 0.00 0.59 0.41 0.00 0.00 173.24 174.36 1ueq n ASN 29 N 0.84 0.00 -3.00 2.44 3.02 -1.26 -2.62 115.26 114.67 1ueq n ASN 29 Ca -0.18 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.21 1ueq n ASN 29 Cb 0.55 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1ueq n ASN 29 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ueq n MET 30 N 0.00 0.68 -0.46 3.52 2.81 -1.26 -5.14 117.12 117.27 1ueq n MET 30 Ca 0.00 -2.54 0.06 0.00 -1.81 0.00 0.00 57.70 53.41 1ueq n MET 30 Cb 0.00 -1.37 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 1ueq n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ueq n GLY 31 N 1.74 -1.74 3.68 3.03 0.00 -1.08 -4.79 105.19 106.04 1ueq n GLY 31 Ca 0.17 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.78 2.56 -0.18 1.61 0.08 -1.26 -4.26 117.98 114.76 1ueq s PHE 32 Ca 0.00 0.58 -0.05 0.00 0.12 0.00 0.00 56.93 57.58 1ueq s PHE 32 Cb 0.00 -3.78 -0.17 0.00 -0.57 0.00 0.00 43.02 38.50 1ueq s PHE 32 CO 0.00 -3.03 2.68 0.41 -0.10 0.00 0.00 175.22 175.18 1ueq n GLY 33 N 3.83 2.59 3.30 4.36 0.00 -1.26 -4.66 105.19 113.34 1ueq n GLY 33 Ca 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 1.79 0.56 0.24 1.61 -0.71 -1.26 -1.07 117.98 119.13 1ueq s PHE 34 Ca 0.48 -0.91 0.03 0.00 -1.04 0.00 0.00 56.93 55.49 1ueq s PHE 34 Cb 0.21 -0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 1ueq s PHE 34 CO -0.01 -0.69 0.02 0.95 -1.34 0.00 0.00 175.22 174.15 1ueq s THR 35 N -4.00 0.94 0.28 -4.49 -4.23 -0.43 -4.95 115.64 98.75 1ueq s THR 35 Ca 0.21 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.80 1ueq s THR 35 Cb 0.04 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1ueq s THR 35 CO 0.02 -0.27 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.04 1ueq s ILE 36 N -3.49 2.27 0.06 2.99 1.09 -1.26 -0.20 121.20 122.66 1ueq s ILE 36 Ca 0.30 -2.32 0.04 0.00 -1.10 0.00 0.00 60.65 57.57 1ueq s ILE 36 Cb 0.06 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 39.09 1ueq s ILE 36 CO 0.09 -0.38 -0.11 -0.51 -0.10 0.00 0.00 174.94 173.93 1ueq s ILE 37 N -2.63 0.86 0.02 2.92 2.07 -0.14 -4.50 121.20 119.81 1ueq s ILE 37 Ca 0.29 -1.23 -0.00 0.00 -1.41 0.00 0.00 60.65 58.30 1ueq s ILE 37 Cb -0.02 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 1ueq s ILE 37 CO 0.14 -0.31 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.01 1ueq s GLY 38 N -1.70 0.27 -0.01 1.50 0.00 -1.26 -1.58 107.32 104.53 1ueq s GLY 38 Ca -0.05 -0.68 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 1ueq s GLY 38 CO 0.01 -0.76 1.04 -1.33 0.00 0.00 0.00 173.10 172.07 1ueq h GLY 39 N 4.36 -0.46 0.00 0.20 0.00 -1.82 -3.47 103.07 101.88 1ueq h GLY 39 Ca -0.32 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ueq h GLY 39 CO 0.45 -0.17 0.00 1.22 0.00 0.00 0.00 176.54 178.05 1ueq n ASP 40 N -5.11 0.00 -4.93 0.19 8.00 -1.26 -5.10 116.55 108.34 1ueq n ASP 40 Ca -0.09 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.21 1ueq n ASP 40 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ueq s GLU 41 N -1.11 2.97 0.00 -1.24 0.41 -1.26 -4.92 118.70 113.54 1ueq s GLU 41 Ca 0.00 -1.12 0.00 0.00 -0.41 0.00 0.00 54.97 53.44 1ueq s GLU 41 Cb 0.00 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 1ueq s GLU 41 CO 0.00 0.09 0.38 -0.35 -0.49 0.00 0.00 175.26 174.89 1ueq n PRO 42 N -1.52 0.71 0.00 0.39 -0.04 -1.26 -2.81 135.00 130.46 1ueq n PRO 42 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ueq n PRO 42 Cb 0.59 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ueq n ASP 43 N 0.09 0.00 -4.79 3.54 5.75 -1.26 -3.56 116.55 116.32 1ueq n ASP 43 Ca 0.00 -1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 53.45 1ueq n ASP 43 Cb 0.16 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.28 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ueq s GLU 44 N 0.00 3.05 0.93 0.11 2.02 -1.12 -4.69 118.70 118.99 1ueq s GLU 44 Ca 0.00 1.26 -0.12 0.00 0.02 0.00 0.00 54.97 56.13 1ueq s GLU 44 Cb 0.00 -1.99 0.15 0.00 0.10 0.00 0.00 34.13 32.39 1ueq s GLU 44 CO 0.00 -1.04 1.11 -0.06 0.02 0.00 0.00 175.26 175.29 1ueq s PHE 45 N -2.46 2.34 -0.06 1.61 0.40 -1.26 -4.48 117.98 114.07 1ueq s PHE 45 Ca 0.65 1.01 0.05 0.00 -0.60 0.00 0.00 56.93 58.03 1ueq s PHE 45 Cb -0.18 -3.27 -0.01 0.00 0.51 0.00 0.00 43.02 40.08 1ueq s PHE 45 CO 0.41 -2.53 -0.23 -0.51 0.70 0.00 0.00 175.22 173.06 1ueq s LEU 46 N -6.22 2.02 0.10 -0.37 1.43 -1.26 -3.56 118.68 110.82 1ueq s LEU 46 Ca 0.64 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1ueq s LEU 46 Cb -0.17 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1ueq s LEU 46 CO 0.56 0.20 -0.16 -1.10 0.23 0.00 0.00 176.35 176.07 1ueq s GLN 47 N 0.03 0.99 0.06 1.70 -0.21 -0.62 -1.44 119.66 120.18 1ueq s GLN 47 Ca -0.08 -1.13 -0.30 0.00 0.02 0.00 0.00 55.36 53.87 1ueq s GLN 47 Cb -0.14 -1.03 -0.09 0.00 1.00 0.00 0.00 33.01 32.75 1ueq s GLN 47 CO 0.05 0.22 1.88 0.08 -2.12 0.00 0.00 175.29 175.40 1ueq s VAL 48 N -1.57 2.91 0.03 1.09 1.01 0.08 -0.96 120.40 122.98 1ueq s VAL 48 Ca 0.05 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1ueq s VAL 48 Cb -0.08 -3.07 -0.26 0.00 0.00 0.00 0.00 36.38 32.97 1ueq s VAL 48 CO 0.03 -0.01 1.11 0.50 0.00 0.00 0.00 175.10 176.74 1ueq h LYS 49 N 9.75 0.55 -3.20 2.72 3.64 -0.81 -1.03 116.57 128.18 1ueq h LYS 49 Ca -0.47 -0.65 -0.02 0.00 -1.27 0.00 0.00 60.65 58.24 1ueq h LYS 49 Cb 1.22 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 33.13 1ueq h LYS 49 CO 0.94 1.26 0.08 -1.54 -2.27 0.00 0.00 179.45 177.92 1ueq s SER 50 N -7.11 -0.37 -0.13 4.20 1.04 -1.08 -4.82 113.70 105.44 1ueq s SER 50 Ca -0.11 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1ueq s SER 50 Cb 0.05 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1ueq s SER 50 CO 0.88 -0.98 -0.12 -0.69 0.98 0.00 0.00 173.24 173.31 1ueq s VAL 51 N -3.81 1.36 0.08 5.02 1.01 -1.26 -1.32 120.40 121.48 1ueq s VAL 51 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1ueq s VAL 51 Cb -0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1ueq s VAL 51 CO -0.09 0.42 1.14 -0.63 0.00 0.00 0.00 175.10 175.94 1ueq s ILE 52 N 1.53 4.14 0.63 2.22 -1.09 -0.24 -4.97 121.20 123.42 1ueq s ILE 52 Ca 0.04 1.60 -0.17 0.00 -2.23 0.00 0.00 60.65 59.89 1ueq s ILE 52 Cb -0.13 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1ueq s ILE 52 CO -0.09 0.16 1.18 -2.16 -1.23 0.00 0.00 174.94 172.79 1ueq s PRO 53 N 0.71 2.80 -1.46 2.79 0.04 -1.26 -2.84 135.00 135.79 1ueq s PRO 53 Ca 0.55 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1ueq s PRO 53 Cb -0.28 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1ueq s PRO 53 CO 0.30 -1.31 0.00 -3.47 0.04 0.00 0.00 177.00 172.56 1ueq n ASP 54 N -1.99 -4.04 -4.82 6.66 2.03 -1.26 -4.97 116.55 108.17 1ueq n ASP 54 Ca 0.13 0.29 -0.22 0.00 0.52 0.00 0.00 54.79 55.51 1ueq n ASP 54 Cb 0.50 -3.61 -0.04 0.00 -0.72 0.00 0.00 41.12 37.25 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ueq s GLY 55 N -2.17 1.72 0.41 0.27 0.00 -1.13 -5.01 107.32 101.40 1ueq s GLY 55 Ca 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 44.72 43.18 1ueq s GLY 55 CO 0.00 -1.59 1.99 -0.56 0.00 0.00 0.00 173.10 172.94 1ueq h PRO 56 N 1.38 0.31 -0.43 2.90 0.13 -1.85 -2.00 132.00 132.44 1ueq h PRO 56 Ca -0.45 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1ueq h PRO 56 Cb 1.25 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ueq h PRO 56 CO 0.60 0.33 -0.22 0.00 -0.23 0.00 0.00 178.00 178.48 1ueq h ALA 57 N 1.71 0.61 -0.34 -0.56 0.00 -1.87 -1.17 119.26 117.65 1ueq h ALA 57 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1ueq h ALA 57 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ueq h ALA 57 CO 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 1ueq h ALA 58 N 0.83 0.46 -0.31 0.00 0.00 -1.57 -1.13 119.26 117.54 1ueq h ALA 58 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ueq h ALA 58 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ueq h ALA 58 CO 0.07 0.27 0.18 1.96 0.00 0.00 0.00 179.25 181.73 1ueq h GLN 59 N 0.42 0.42 -0.11 0.00 4.20 -1.35 -2.61 115.11 116.08 1ueq h GLN 59 Ca 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1ueq h GLN 59 Cb 0.54 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1ueq h GLN 59 CO 0.03 0.34 -0.05 0.22 -0.67 0.00 0.00 178.83 178.70 1ueq h ASP 60 N 0.39 0.15 0.00 1.46 3.58 -1.13 -3.46 116.42 117.41 1ueq h ASP 60 Ca 0.11 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1ueq h ASP 60 Cb 0.03 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ueq h ASP 60 CO -0.02 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 1ueq n GLY 61 N -1.18 3.01 0.17 -0.78 0.00 -0.44 -4.82 105.19 101.16 1ueq n GLY 61 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1ueq n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ueq h LYS 62 N 1.73 0.52 -6.40 1.61 6.56 -1.87 -3.43 116.57 115.28 1ueq h LYS 62 Ca 0.00 -0.06 -0.54 0.00 -1.06 0.00 0.00 60.65 58.99 1ueq h LYS 62 Cb 0.00 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1ueq h LYS 62 CO 0.00 0.42 1.02 1.41 -2.06 0.00 0.00 179.45 180.24 1ueq s MET 63 N -5.86 4.20 0.15 3.15 1.75 -1.26 -5.00 119.30 116.44 1ueq s MET 63 Ca -0.13 2.29 0.01 0.00 -1.25 0.00 0.00 55.69 56.61 1ueq s MET 63 Cb 0.10 -3.71 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 1ueq s MET 63 CO 0.73 -0.76 -0.00 -1.21 -0.65 0.00 0.00 175.02 173.13 1ueq s GLU 64 N 3.02 1.02 0.14 4.11 2.02 -1.26 -4.80 118.70 122.95 1ueq s GLU 64 Ca 0.74 -1.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 1ueq s GLU 64 Cb -0.38 -0.16 -0.07 0.00 0.10 0.00 0.00 34.13 33.62 1ueq s GLU 64 CO 0.32 -0.13 0.62 0.99 0.02 0.00 0.00 175.26 177.08 1ueq s THR 65 N -3.72 4.70 0.00 3.63 2.01 -1.26 -3.39 115.64 117.60 1ueq s THR 65 Ca 0.21 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.38 1ueq s THR 65 Cb 0.06 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1ueq s THR 65 CO 0.02 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1ueq n GLY 66 N 1.19 2.86 3.77 4.40 0.00 -0.39 -4.90 105.19 112.12 1ueq n GLY 66 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.01 5.77 -0.20 1.61 1.11 -1.22 -4.61 116.67 116.12 1ueq s ASP 67 Ca 0.00 2.26 -0.15 0.00 0.18 0.00 0.00 52.55 54.84 1ueq s ASP 67 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1ueq s ASP 67 CO 0.00 -1.19 0.36 -0.69 1.18 0.00 0.00 175.17 174.82 1ueq s VAL 68 N -1.67 5.23 -0.36 -1.27 1.01 -0.75 -0.74 120.40 121.85 1ueq s VAL 68 Ca 0.71 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 1ueq s VAL 68 Cb -0.26 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ueq s VAL 68 CO 0.30 0.28 1.56 -0.63 0.00 0.00 0.00 175.10 176.61 1ueq s ILE 69 N 1.19 3.75 -0.12 2.22 1.09 -0.52 -1.26 121.20 127.55 1ueq s ILE 69 Ca 0.17 0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 60.44 1ueq s ILE 69 Cb -0.14 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1ueq s ILE 69 CO 0.07 -0.58 0.02 0.58 -0.10 0.00 0.00 174.94 174.94 1ueq h VAL 70 N 6.52 0.18 -3.79 2.92 2.07 -1.36 -3.36 116.25 119.43 1ueq h VAL 70 Ca -0.30 -1.15 -0.29 0.00 0.82 0.00 0.00 66.70 65.77 1ueq h VAL 70 Cb 1.13 0.36 -0.18 0.00 -1.52 0.00 0.00 31.29 31.08 1ueq h VAL 70 CO 1.06 0.06 -0.73 -0.31 0.02 0.00 0.00 177.57 177.67 1ueq s TYR 71 N -1.82 0.96 -0.19 1.57 2.02 -1.20 -1.54 117.35 117.14 1ueq s TYR 71 Ca -0.06 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1ueq s TYR 71 Cb 0.00 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 41.07 1ueq s TYR 71 CO 0.14 -0.04 -0.06 0.42 -1.57 0.00 0.00 175.55 174.43 1ueq s ILE 72 N -2.47 1.34 0.00 2.71 1.01 -0.22 -2.42 121.20 121.15 1ueq s ILE 72 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1ueq s ILE 72 Cb -0.03 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1ueq s ILE 72 CO -0.01 0.08 0.00 -3.20 0.00 0.00 0.00 174.94 171.81 1ueq n ASN 73 N 4.78 0.00 0.00 3.58 5.15 0.35 -1.19 115.26 127.92 1ueq n ASN 73 Ca -0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1ueq n ASN 73 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ueq n GLU 74 N 0.00 0.00 -4.09 1.20 2.13 -1.26 -4.68 120.64 113.94 1ueq n GLU 74 Ca 0.00 -0.03 -0.34 0.00 0.66 0.00 0.00 57.16 57.44 1ueq n GLU 74 Cb 0.00 -0.06 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ueq s VAL 75 N 0.00 4.66 -0.29 6.31 1.01 -0.33 -5.07 120.40 126.68 1ueq s VAL 75 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1ueq s VAL 75 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1ueq s VAL 75 CO 0.00 0.49 1.16 0.00 0.00 0.00 0.00 175.10 176.75 1ueq n VAL 77 N 5.89 0.53 -0.15 0.00 0.24 -0.59 -4.78 118.33 119.47 1ueq n VAL 77 Ca 0.13 -0.76 0.23 0.00 -2.04 0.00 0.00 64.34 61.90 1ueq n VAL 77 Cb 0.47 0.76 0.65 0.00 -1.47 0.00 0.00 33.84 34.24 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 0.51 0.13 -5.82 1.34 8.10 -1.60 0.15 115.31 118.12 1ueq h LEU 78 Ca 0.00 0.01 -0.52 0.00 0.11 0.00 0.00 57.88 57.48 1ueq h LEU 78 Cb 0.35 -0.01 -0.40 0.00 -0.44 0.00 0.00 40.66 40.15 1ueq h LEU 78 CO 0.00 0.06 -1.03 0.61 -4.11 0.00 0.00 178.44 173.97 1ueq n GLY 79 N -1.63 4.11 3.71 0.17 0.00 -1.26 -4.08 105.19 106.20 1ueq n GLY 79 Ca 0.16 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.60 2.73 0.54 1.61 3.76 0.54 -4.35 115.29 117.51 1ueq s HIS 80 Ca 0.42 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.84 1ueq s HIS 80 Cb 0.31 -1.46 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 1ueq s HIS 80 CO -0.10 0.46 1.07 -0.08 -0.85 0.00 0.00 174.74 175.24 1ueq s THR 81 N -2.37 3.62 0.53 1.30 -1.32 -1.24 -4.47 115.64 111.68 1ueq s THR 81 Ca 0.35 0.92 0.24 0.00 -1.21 0.00 0.00 61.69 62.00 1ueq s THR 81 Cb -0.04 -3.37 0.38 0.00 -1.51 0.00 0.00 72.50 67.95 1ueq s THR 81 CO 0.22 -0.30 2.02 -0.74 -2.21 0.00 0.00 174.62 173.61 1ueq h HIS 82 N 1.07 0.00 -0.87 9.09 2.76 -1.91 -1.97 115.15 123.32 1ueq h HIS 82 Ca -0.49 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 57.77 1ueq h HIS 82 Cb 1.23 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 1ueq h HIS 82 CO 0.56 0.00 0.57 0.00 -1.30 0.00 0.00 177.93 177.75 1ueq h ALA 83 N 1.77 1.62 0.13 5.26 0.00 -1.96 0.18 119.26 126.26 1ueq h ALA 83 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ueq h ALA 83 Cb 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ueq h ALA 83 CO -0.00 0.22 -0.06 0.22 0.00 0.00 0.00 179.25 179.63 1ueq h ASP 84 N 0.90 -0.14 -0.90 0.00 1.82 -1.75 -2.99 116.42 113.36 1ueq h ASP 84 Ca 0.39 -0.23 0.15 0.00 -0.39 0.00 0.00 57.03 56.95 1ueq h ASP 84 Cb 0.34 0.04 -0.09 0.00 0.68 0.00 0.00 39.33 40.29 1ueq h ASP 84 CO -0.16 0.43 0.51 0.58 -1.61 0.00 0.00 179.24 178.99 1ueq h VAL 85 N -1.00 0.77 0.00 2.25 2.07 -1.39 0.22 116.25 119.17 1ueq h VAL 85 Ca -0.02 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ueq h VAL 85 Cb 0.36 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ueq h VAL 85 CO 0.03 0.13 -0.40 0.58 0.02 0.00 0.00 177.57 177.93 1ueq h VAL 86 N 0.73 1.13 -0.19 2.57 2.07 -0.76 0.20 116.25 121.99 1ueq h VAL 86 Ca 0.48 -1.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1ueq h VAL 86 Cb 0.64 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1ueq h VAL 86 CO -0.34 0.39 -0.50 0.07 0.02 0.00 0.00 177.57 177.22 1ueq h LYS 87 N 0.00 0.53 -0.13 1.57 2.10 -0.50 -2.81 116.57 117.33 1ueq h LYS 87 Ca -0.00 -0.31 -0.18 0.00 -2.00 0.00 0.00 60.65 58.15 1ueq h LYS 87 Cb 0.79 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ueq h LYS 87 CO 0.05 0.90 -0.68 -0.07 -2.00 0.00 0.00 179.45 177.66 1ueq h LEU 88 N 0.41 0.62 -0.71 7.07 3.38 -0.34 -0.64 115.31 125.11 1ueq h LEU 88 Ca 0.02 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 1ueq h LEU 88 Cb 1.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1ueq h LEU 88 CO 0.09 1.12 -0.62 -0.26 0.09 0.00 0.00 178.44 178.86 1ueq h PHE 89 N 0.38 0.00 0.00 1.13 0.04 -1.01 -2.92 116.94 114.55 1ueq h PHE 89 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ueq h PHE 89 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1ueq h PHE 89 CO 0.05 0.62 0.00 1.96 -0.60 0.00 0.00 178.31 180.35 1ueq h GLN 90 N 0.00 0.00 0.00 1.51 4.20 -1.24 -3.19 115.11 116.38 1ueq h GLN 90 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ueq h GLN 90 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1ueq h GLN 90 CO 0.08 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.67 1ueq n SER 91 N -2.99 0.00 -4.35 1.46 7.64 -0.27 -4.53 113.62 110.58 1ueq n SER 91 Ca 0.03 0.23 -0.45 0.00 1.01 0.00 0.00 58.87 59.70 1ueq n SER 91 Cb 0.47 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ueq s VAL 92 N -2.75 5.22 1.03 0.44 1.01 -1.21 -5.08 120.40 119.06 1ueq s VAL 92 Ca 0.13 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 1ueq s VAL 92 Cb 0.11 -4.22 0.20 0.00 0.00 0.00 0.00 36.38 32.47 1ueq s VAL 92 CO 0.28 -0.71 1.09 -2.16 0.00 0.00 0.00 175.10 173.60 1ueq s PRO 93 N 1.62 0.20 0.38 2.72 0.04 -1.26 -4.97 135.00 133.73 1ueq s PRO 93 Ca 0.04 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.26 1ueq s PRO 93 Cb -0.27 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1ueq s PRO 93 CO 0.05 -2.87 1.28 0.42 0.04 0.00 0.00 177.00 175.92 1ueq s ILE 94 N -2.96 2.74 0.00 0.56 1.01 -1.26 -2.54 121.20 118.75 1ueq s ILE 94 Ca 0.66 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1ueq s ILE 94 Cb -0.18 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1ueq s ILE 94 CO 0.58 0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1ueq n GLY 95 N 0.71 1.30 3.99 6.18 0.00 -1.25 -5.01 105.19 111.09 1ueq n GLY 95 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.19 2.68 0.04 1.61 -1.52 -1.05 -4.94 119.66 116.28 1ueq s GLN 96 Ca 0.00 -1.38 -0.06 0.00 -1.95 0.00 0.00 55.36 51.97 1ueq s GLN 96 Cb 0.00 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 1ueq s GLN 96 CO 0.00 -0.36 0.10 -1.54 -0.25 0.00 0.00 175.29 173.24 1ueq s SER 97 N -4.36 0.18 0.02 5.90 1.04 -1.26 -0.56 113.70 114.66 1ueq s SER 97 Ca 0.54 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1ueq s SER 97 Cb -0.08 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1ueq s SER 97 CO 0.33 -0.53 -0.04 0.68 0.98 0.00 0.00 173.24 174.66 1ueq s VAL 98 N -2.75 0.22 0.44 5.02 -7.23 -1.11 -5.01 120.40 109.98 1ueq s VAL 98 Ca -0.04 -0.80 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 1ueq s VAL 98 Cb -0.00 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.54 1ueq s VAL 98 CO -0.05 -0.38 0.88 0.20 -0.31 0.00 0.00 175.10 175.44 1ueq s ASN 99 N -1.24 6.65 0.02 4.85 0.01 -1.26 -3.17 114.94 120.80 1ueq s ASN 99 Ca -0.12 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 53.44 1ueq s ASN 99 Cb -0.08 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ueq s ASN 99 CO -0.00 -0.44 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.34 1ueq s LEU 100 N -3.74 2.18 -0.16 0.60 1.43 0.11 -0.50 118.68 118.60 1ueq s LEU 100 Ca 0.56 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1ueq s LEU 100 Cb -0.10 -0.05 0.04 0.00 0.03 0.00 0.00 46.19 46.11 1ueq s LEU 100 CO 0.27 -0.18 -0.08 -0.69 0.23 0.00 0.00 176.35 175.90 1ueq s VAL 101 N -1.06 1.25 0.32 -1.59 1.01 -1.02 -2.21 120.40 117.11 1ueq s VAL 101 Ca -0.10 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1ueq s VAL 101 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1ueq s VAL 101 CO -0.00 0.21 0.17 -0.76 0.00 0.00 0.00 175.10 174.72 1ueq s LEU 102 N 1.58 3.38 -0.05 3.92 1.43 -0.46 -0.94 118.68 127.56 1ueq s LEU 102 Ca 0.02 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1ueq s LEU 102 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ueq s LEU 102 CO -0.08 -0.26 -0.21 0.00 0.23 0.00 0.00 176.35 176.03 1ueq s ARG 104 N -0.47 3.80 0.00 0.00 6.06 0.00 -1.81 118.95 126.53 1ueq s ARG 104 Ca 0.06 0.73 0.00 0.00 -2.50 0.00 0.00 55.73 54.02 1ueq s ARG 104 Cb -0.12 -2.20 0.00 0.00 0.06 0.00 0.00 34.95 32.69 1ueq s ARG 104 CO 0.01 -0.27 0.00 0.41 -2.50 0.00 0.00 175.30 172.95 1ueq n GLY 105 N -1.81 2.01 3.77 8.12 0.00 -1.26 -4.06 105.19 111.96 1ueq n GLY 105 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.18 3.92 1.03 1.61 2.02 -1.26 -4.97 117.35 117.51 1ueq s TYR 106 Ca 0.00 1.67 -0.17 0.00 -0.37 0.00 0.00 57.07 58.21 1ueq s TYR 106 Cb 0.00 -2.80 0.22 0.00 -0.40 0.00 0.00 41.96 38.98 1ueq s TYR 106 CO 0.00 0.51 1.23 -1.25 -1.57 0.00 0.00 175.55 174.46 1ueq s PRO 107 N -1.16 0.09 0.45 -1.71 0.04 -1.26 -4.61 135.00 126.84 1ueq s PRO 107 Ca 0.36 -0.21 -0.24 0.00 0.04 0.00 0.00 61.00 60.96 1ueq s PRO 107 Cb -0.23 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1ueq s PRO 107 CO 0.27 -2.82 1.22 -0.51 0.04 0.00 0.00 177.00 175.21 1ueq s LEU 108 N -6.26 4.05 0.12 -3.56 1.43 -1.26 -4.88 118.68 108.33 1ueq s LEU 108 Ca 0.71 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 56.16 1ueq s LEU 108 Cb -0.07 -4.15 -0.10 0.00 0.03 0.00 0.00 46.19 41.90 1ueq s LEU 108 CO 0.54 -0.97 1.36 1.55 0.23 0.00 0.00 176.35 179.05 1ueq h PRO 109 N 2.16 0.79 -5.91 1.29 0.13 -1.95 -3.41 132.00 125.09 1ueq h PRO 109 Ca -0.50 -0.58 -0.56 0.00 -0.87 0.00 0.00 66.00 63.49 1ueq h PRO 109 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ueq h PRO 109 CO 0.60 1.20 1.52 0.12 -0.23 0.00 0.00 178.00 181.22 1ueq s PHE 110 N -3.88 1.15 -0.52 1.56 5.36 -1.26 -4.94 117.98 115.44 1ueq s PHE 110 Ca -0.10 0.76 -0.22 0.00 -0.96 0.00 0.00 56.93 56.42 1ueq s PHE 110 Cb 0.09 -3.85 0.05 0.00 -0.34 0.00 0.00 43.02 38.96 1ueq s PHE 110 CO 0.89 -3.74 0.80 -0.51 -1.46 0.00 0.00 175.22 171.20 1ueq s ASP 111 N 9.13 6.30 0.34 6.13 1.01 -1.26 -4.92 116.67 133.40 1ueq s ASP 111 Ca 1.00 -0.54 0.17 0.00 0.71 0.00 0.00 52.55 53.89 1ueq s ASP 111 Cb -0.29 -2.37 0.46 0.00 1.01 0.00 0.00 42.92 41.73 1ueq s ASP 111 CO 0.33 -1.05 1.63 1.55 0.21 0.00 0.00 175.17 177.83 1ueq h PRO 112 N 9.14 0.00 -0.04 8.23 0.13 -1.96 -3.32 132.00 144.18 1ueq h PRO 112 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1ueq h PRO 112 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ueq h PRO 112 CO 1.02 0.44 -0.01 1.49 -0.23 0.00 0.00 178.00 180.71 1ueq h GLU 113 N 0.00 0.08 -2.05 0.86 4.81 -2.02 -3.40 114.58 112.86 1ueq h GLU 113 Ca -0.00 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 58.77 1ueq h GLU 113 Cb 1.08 -0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.13 1ueq h GLU 113 CO 0.06 0.44 -0.75 0.34 -0.73 0.00 0.00 179.01 178.37 1ueq s ASP 114 N -5.67 1.33 0.36 1.04 -1.08 -1.26 -5.06 116.67 106.33 1ueq s ASP 114 Ca -0.15 -1.93 0.19 0.00 -0.52 0.00 0.00 52.55 50.14 1ueq s ASP 114 Cb 0.03 0.34 0.49 0.00 -1.46 0.00 0.00 42.92 42.33 1ueq s ASP 114 CO 0.69 -0.24 1.64 1.55 0.52 0.00 0.00 175.17 179.33 1ueq h PRO 115 N 6.68 0.00 0.00 4.34 0.13 -1.80 -3.40 132.00 137.95 1ueq h PRO 115 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ueq h PRO 115 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ueq h PRO 115 CO 0.22 0.36 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1ueq n ALA 116 N -2.23 0.00 -1.36 -0.56 0.00 -1.26 -4.85 120.51 110.24 1ueq n ALA 116 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1ueq n ALA 116 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 -8.10 -4.31 0.00 3.02 -1.26 -4.95 115.26 99.66 1ueq n ASN 117 Ca 0.00 1.42 -0.25 0.00 -0.03 0.00 0.00 54.58 55.72 1ueq n ASN 117 Cb 0.00 -4.00 -0.12 0.00 -0.61 0.00 0.00 39.78 35.04 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ueq s SER 118 N -6.74 2.68 0.15 6.41 0.15 -1.26 -4.89 113.70 110.20 1ueq s SER 118 Ca 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1ueq s SER 118 Cb 0.00 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1ueq s SER 118 CO 0.00 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ueq n GLY 119 N 0.99 -2.00 3.73 9.45 0.00 -1.26 -4.77 105.19 111.34 1ueq n GLY 119 Ca -0.19 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1ueq n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ueq s PRO 120 N -0.49 4.21 -1.43 1.61 0.04 -1.26 -4.91 135.00 132.77 1ueq s PRO 120 Ca 0.00 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1ueq s PRO 120 Cb 0.00 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.49 1ueq s PRO 120 CO 0.00 -0.56 2.25 -1.13 0.04 0.00 0.00 177.00 177.60 1ueq n SER 121 N 3.03 5.03 -3.38 6.66 3.41 -1.26 -4.96 113.62 122.14 1ueq n SER 121 Ca 0.10 -2.89 -0.26 0.00 -0.26 0.00 0.00 58.87 55.57 1ueq n SER 121 Cb 0.39 -1.59 0.22 0.00 -0.26 0.00 0.00 64.21 62.97 1ueq n SER 121 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ueq n SER 122 N 4.99 -2.20 0.00 4.04 7.64 -1.26 -5.23 113.62 121.59 1ueq n SER 122 Ca 0.53 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1ueq n SER 122 Cb 0.35 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64