#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 5.48 0.28 1.61 0.15 -1.26 -4.93 113.70 115.03 1ueq s SER 2 Ca 0.00 1.28 0.04 0.00 0.70 0.00 0.00 55.95 57.97 1ueq s SER 2 Cb 0.00 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1ueq s SER 2 CO 0.00 -2.04 0.29 -1.54 1.20 0.00 0.00 173.24 171.15 1ueq n SER 3 N 11.80 -0.77 0.00 5.45 3.41 -1.26 -5.14 113.62 127.12 1ueq n SER 3 Ca 0.26 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 1ueq n SER 3 Cb 0.48 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 1ueq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ueq n GLY 4 N -0.50 -1.40 3.27 5.00 0.00 -1.26 -5.14 105.19 105.16 1ueq n GLY 4 Ca 0.04 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 1ueq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ueq s SER 5 N 2.00 -0.34 0.08 1.61 1.04 -1.26 -5.18 113.70 111.65 1ueq s SER 5 Ca 0.00 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 1ueq s SER 5 Cb 0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1ueq s SER 5 CO 0.00 -0.25 0.24 -0.94 0.98 0.00 0.00 173.24 173.27 1ueq s SER 6 N -0.35 0.02 0.00 7.02 1.04 -1.26 -5.17 113.70 115.00 1ueq s SER 6 Ca -0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1ueq s SER 6 Cb -0.03 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ueq s SER 6 CO 0.02 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1ueq n GLY 7 N 0.08 1.65 0.00 7.32 0.00 -1.26 -5.07 105.19 107.91 1ueq n GLY 7 Ca -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -4.71 0.99 0.00 -1.26 -5.06 117.00 106.96 1ueq n LEU 8 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1ueq n LEU 8 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.54 1ueq n LEU 8 CO 0.00 0.00 0.72 0.12 0.00 0.00 0.00 177.39 178.23 1ueq s PHE 9 N 0.00 1.99 0.00 1.96 2.19 -1.26 -5.05 117.98 117.81 1ueq s PHE 9 Ca 0.00 1.68 0.00 0.00 0.33 0.00 0.00 56.93 58.94 1ueq s PHE 9 Cb 0.00 -3.31 0.00 0.00 -1.31 0.00 0.00 43.02 38.40 1ueq s PHE 9 CO 0.00 -2.48 0.00 2.41 1.83 0.00 0.00 175.22 176.98 1ueq n THR 10 N -3.59 0.00 0.00 0.12 -1.04 -1.26 -5.04 114.28 103.47 1ueq n THR 10 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1ueq n THR 10 Cb 0.52 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 -0.33 -2.82 1.74 -1.26 -4.91 116.66 109.08 1ueq n ARG 11 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1ueq n ARG 11 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 31.70 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 3.20 0.00 0.55 2.03 -1.26 -4.92 116.55 116.14 1ueq n ASP 12 Ca 0.00 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1ueq n ASP 12 Cb 0.00 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 1.10 0.00 0.56 -1.67 0.00 -1.26 -4.73 120.51 114.51 1ueq n ALA 13 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ueq n ALA 13 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ueq n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ueq n SER 14 N 0.33 0.35 -0.00 0.00 2.88 -1.26 -0.71 113.62 115.21 1ueq n SER 14 Ca 0.00 -0.91 0.02 0.00 -1.33 0.00 0.00 58.87 56.65 1ueq n SER 14 Cb 0.00 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 1ueq n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ueq n GLN 15 N 0.10 4.78 -1.30 -1.46 1.13 -1.26 -5.02 117.38 114.35 1ueq n GLN 15 Ca 0.00 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.75 1ueq n GLN 15 Cb 0.09 -0.78 0.11 0.00 0.11 0.00 0.00 30.24 29.76 1ueq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ueq s LEU 16 N -2.36 2.68 -0.02 1.08 1.43 0.11 -4.88 118.68 116.72 1ueq s LEU 16 Ca 0.02 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1ueq s LEU 16 Cb 0.04 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.08 1ueq s LEU 16 CO 0.21 -2.21 0.01 -0.54 0.23 0.00 0.00 176.35 174.04 1ueq s LYS 17 N -4.96 0.18 0.00 1.70 1.02 -1.26 -5.07 119.74 111.35 1ueq s LYS 17 Ca 0.62 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1ueq s LYS 17 Cb -0.17 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 1ueq s LYS 17 CO 0.56 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 1ueq n GLY 18 N 4.02 -0.10 3.15 -3.33 0.00 -1.26 -4.71 105.19 102.96 1ueq n GLY 18 Ca -0.26 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.39 0.89 0.03 2.61 2.01 -0.60 -4.98 115.64 114.21 1ueq s THR 19 Ca 0.00 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.62 1ueq s THR 19 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1ueq s THR 19 CO 0.00 -0.42 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.11 1ueq s PHE 20 N -1.86 2.95 0.31 4.92 0.40 -1.26 -0.34 117.98 123.10 1ueq s PHE 20 Ca -0.00 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1ueq s PHE 20 Cb -0.07 -1.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 1ueq s PHE 20 CO 0.01 0.42 0.07 -0.51 0.70 0.00 0.00 175.22 175.91 1ueq s LEU 21 N -1.69 2.01 0.04 -0.37 2.01 -0.23 -4.97 118.68 115.48 1ueq s LEU 21 Ca 0.20 -1.39 -0.18 0.00 0.01 0.00 0.00 54.13 52.77 1ueq s LEU 21 Cb -0.11 -0.25 0.04 0.00 0.01 0.00 0.00 46.19 45.87 1ueq s LEU 21 CO 0.11 -0.66 0.41 -0.55 1.01 0.00 0.00 176.35 176.67 1ueq s SER 22 N -3.44 -0.28 0.06 2.29 0.15 -1.26 -1.50 113.70 109.71 1ueq s SER 22 Ca 0.37 0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 1ueq s SER 22 Cb 0.08 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1ueq s SER 22 CO 0.15 -0.65 0.12 0.28 1.20 0.00 0.00 173.24 174.34 1ueq s THR 23 N -2.38 0.15 -0.20 6.45 -1.32 -0.69 -5.00 115.64 112.66 1ueq s THR 23 Ca -0.06 -1.24 0.01 0.00 -1.21 0.00 0.00 61.69 59.19 1ueq s THR 23 Cb -0.01 -1.18 0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1ueq s THR 23 CO -0.02 -0.68 -0.10 -0.89 -2.21 0.00 0.00 174.62 170.72 1ueq s THR 24 N -3.30 1.64 0.03 5.08 2.01 -1.26 -0.49 115.64 119.34 1ueq s THR 24 Ca 0.01 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1ueq s THR 24 Cb 0.03 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1ueq s THR 24 CO -0.08 0.17 0.24 -0.76 -0.69 0.00 0.00 174.62 173.51 1ueq s LEU 25 N 1.40 4.36 0.02 4.42 1.43 -1.13 -4.91 118.68 124.26 1ueq s LEU 25 Ca -0.01 0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 53.25 1ueq s LEU 25 Cb -0.16 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1ueq s LEU 25 CO -0.08 0.22 0.87 -0.75 0.23 0.00 0.00 176.35 176.83 1ueq s LYS 26 N -2.06 4.55 -0.56 1.70 2.20 -1.26 -2.71 119.74 121.61 1ueq s LYS 26 Ca 0.30 1.23 -0.27 0.00 -0.36 0.00 0.00 55.97 56.88 1ueq s LYS 26 Cb -0.13 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1ueq s LYS 26 CO 0.20 0.11 1.99 0.21 -0.36 0.00 0.00 175.35 177.51 1ueq s LYS 27 N 0.48 2.56 0.00 4.03 2.20 0.20 -4.92 119.74 124.29 1ueq s LYS 27 Ca 0.45 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1ueq s LYS 27 Cb -0.21 -4.42 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 1ueq s LYS 27 CO 0.25 -2.79 0.00 0.43 -0.36 0.00 0.00 175.35 172.88 1ueq n SER 28 N 13.32 0.00 -4.58 1.43 7.64 -1.24 -0.35 113.62 129.84 1ueq n SER 28 Ca 0.25 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.78 1ueq n SER 28 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1ueq n SER 28 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ueq s ASN 29 N -1.00 5.30 0.00 6.43 0.01 -1.26 -4.50 114.94 119.92 1ueq s ASN 29 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1ueq s ASN 29 Cb 0.00 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.78 1ueq s ASN 29 CO 0.00 0.18 0.00 0.23 -1.51 0.00 0.00 177.10 176.00 1ueq n MET 30 N 3.49 0.00 -1.31 -0.60 2.81 -1.26 -4.72 117.12 115.53 1ueq n MET 30 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1ueq n MET 30 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 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 0.00 0.87 3.86 3.03 0.00 -1.26 -4.93 105.19 106.76 1ueq n GLY 31 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.23 3.42 -0.53 1.61 0.40 -1.26 -3.63 117.98 114.75 1ueq s PHE 32 Ca 0.00 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 1ueq s PHE 32 Cb 0.00 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 41.04 1ueq s PHE 32 CO 0.00 0.00 0.50 0.41 0.70 0.00 0.00 175.22 176.83 1ueq n GLY 33 N -0.80 1.17 3.28 4.36 0.00 -1.26 -4.73 105.19 107.22 1ueq n GLY 33 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.38 0.79 0.21 1.61 -0.71 -1.26 -0.22 117.98 118.02 1ueq s PHE 34 Ca 0.00 -1.10 0.08 0.00 -1.04 0.00 0.00 56.93 54.87 1ueq s PHE 34 Cb 0.00 -0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.45 1ueq s PHE 34 CO 0.00 -0.68 -0.15 0.95 -1.34 0.00 0.00 175.22 173.99 1ueq s THR 35 N -4.07 1.83 0.22 -4.49 -4.23 0.30 -4.88 115.64 100.31 1ueq s THR 35 Ca 0.28 -2.23 0.10 0.00 -1.18 0.00 0.00 61.69 58.66 1ueq s THR 35 Cb 0.05 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1ueq s THR 35 CO 0.06 -0.57 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.75 1ueq s ILE 36 N -2.90 2.17 0.05 2.99 1.09 -1.26 -0.08 121.20 123.27 1ueq s ILE 36 Ca 0.23 -2.16 0.05 0.00 -1.10 0.00 0.00 60.65 57.67 1ueq s ILE 36 Cb -0.01 -2.10 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 1ueq s ILE 36 CO 0.08 -0.33 -0.13 -0.51 -0.10 0.00 0.00 174.94 173.94 1ueq s ILE 37 N -2.24 1.04 0.03 2.92 2.07 -0.36 -4.57 121.20 120.09 1ueq s ILE 37 Ca 0.23 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 1ueq s ILE 37 Cb -0.05 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 1ueq s ILE 37 CO 0.10 -0.12 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.14 1ueq s GLY 38 N -1.39 0.33 0.00 1.50 0.00 -1.26 -0.36 107.32 106.13 1ueq s GLY 38 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1ueq s GLY 38 CO 0.02 -0.78 1.00 0.61 0.00 0.00 0.00 173.10 173.94 1ueq n GLY 39 N 1.37 -2.59 0.26 0.20 0.00 -1.25 -4.77 105.19 98.40 1ueq n GLY 39 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ueq n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ueq n ASP 40 N -2.20 0.00 -4.97 1.61 2.03 -1.26 -5.04 116.55 106.73 1ueq n ASP 40 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1ueq n ASP 40 Cb 0.00 0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.38 3.38 0.00 -0.67 2.02 -1.26 -4.72 118.70 116.06 1ueq s GLU 41 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 1ueq s GLU 41 Cb 0.00 -2.80 -0.10 0.00 0.10 0.00 0.00 34.13 31.32 1ueq s GLU 41 CO 0.00 0.26 2.28 -0.35 0.02 0.00 0.00 175.26 177.47 1ueq n PRO 42 N -1.58 1.19 0.00 0.39 -0.04 -1.26 -2.49 135.00 131.21 1ueq n PRO 42 Ca -0.06 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1ueq n PRO 42 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.08 0.08 -4.72 3.54 5.68 -1.26 -4.09 116.55 117.86 1ueq n ASP 43 Ca 0.17 -0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 54.05 1ueq n ASP 43 Cb 0.56 0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1ueq s GLU 44 N -0.04 4.49 0.57 0.11 2.02 -1.04 -4.89 118.70 119.92 1ueq s GLU 44 Ca 0.00 1.08 -0.21 0.00 0.02 0.00 0.00 54.97 55.86 1ueq s GLU 44 Cb 0.00 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1ueq s GLU 44 CO 0.00 0.04 1.35 1.19 0.02 0.00 0.00 175.26 177.86 1ueq n PHE 45 N 3.74 2.22 -3.34 1.61 3.72 -1.26 -4.12 117.46 120.03 1ueq n PHE 45 Ca 0.01 0.43 -0.38 0.00 -0.05 0.00 0.00 57.45 57.46 1ueq n PHE 45 Cb 0.51 -2.34 -0.06 0.00 -0.94 0.00 0.00 39.48 36.65 1ueq n PHE 45 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ueq s LEU 46 N -3.66 4.33 0.10 4.37 1.43 -1.26 -3.89 118.68 120.11 1ueq s LEU 46 Ca 0.74 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.79 1ueq s LEU 46 Cb -0.41 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1ueq s LEU 46 CO 0.47 0.08 -0.15 -1.10 0.23 0.00 0.00 176.35 175.88 1ueq s GLN 47 N 0.19 0.97 -0.16 1.70 -0.21 0.51 -0.63 119.66 122.02 1ueq s GLN 47 Ca 0.26 -1.15 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 1ueq s GLN 47 Cb -0.16 -0.92 -0.05 0.00 1.00 0.00 0.00 33.01 32.88 1ueq s GLN 47 CO 0.12 0.19 2.00 0.08 -2.12 0.00 0.00 175.29 175.56 1ueq s VAL 48 N -1.80 3.18 0.06 1.09 1.01 0.62 -1.22 120.40 123.34 1ueq s VAL 48 Ca 0.05 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1ueq s VAL 48 Cb -0.07 -3.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.94 1ueq s VAL 48 CO 0.03 -0.10 1.54 0.50 0.00 0.00 0.00 175.10 177.07 1ueq h LYS 49 N 12.89 -0.60 -2.56 2.72 3.64 -0.73 -1.70 116.57 130.22 1ueq h LYS 49 Ca -0.41 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1ueq h LYS 49 Cb 1.22 0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 32.99 1ueq h LYS 49 CO 0.97 -0.35 -0.02 -1.12 -2.27 0.00 0.00 179.45 176.66 1ueq s SER 50 N -4.71 -0.43 -0.19 4.20 0.01 -1.21 -4.67 113.70 106.69 1ueq s SER 50 Ca -0.16 0.36 -0.20 0.00 1.31 0.00 0.00 55.95 57.25 1ueq s SER 50 Cb 0.03 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1ueq s SER 50 CO 0.60 -0.58 0.61 -0.69 0.41 0.00 0.00 173.24 173.59 1ueq s VAL 51 N -1.55 5.04 0.01 3.43 1.01 -1.26 -0.54 120.40 126.54 1ueq s VAL 51 Ca -0.10 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1ueq s VAL 51 Cb -0.02 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1ueq s VAL 51 CO 0.05 0.13 1.21 -0.63 0.00 0.00 0.00 175.10 175.87 1ueq s ILE 52 N 1.79 4.10 0.73 2.22 1.09 0.69 -4.95 121.20 126.88 1ueq s ILE 52 Ca 0.28 1.48 -0.13 0.00 -1.10 0.00 0.00 60.65 61.18 1ueq s ILE 52 Cb -0.16 -3.95 0.04 0.00 -1.06 0.00 0.00 42.46 37.33 1ueq s ILE 52 CO 0.10 0.06 1.14 -2.16 -0.10 0.00 0.00 174.94 173.98 1ueq s PRO 53 N 1.61 2.30 0.00 2.79 0.04 -1.26 -3.41 135.00 137.07 1ueq s PRO 53 Ca 0.58 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1ueq s PRO 53 Cb -0.28 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ueq s PRO 53 CO 0.26 -1.65 0.00 -3.47 0.04 0.00 0.00 177.00 172.18 1ueq n ASP 54 N -2.94 0.00 -4.71 6.66 2.03 -1.26 -4.99 116.55 111.33 1ueq n ASP 54 Ca 0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 1ueq n ASP 54 Cb 0.52 -0.02 0.15 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.25 1.60 0.58 0.27 0.00 -1.22 -4.73 107.32 103.57 1ueq s GLY 55 Ca 0.00 -0.18 0.37 0.00 0.00 0.00 0.00 44.72 44.91 1ueq s GLY 55 CO 0.00 0.35 2.09 -0.56 0.00 0.00 0.00 173.10 174.98 1ueq h PRO 56 N -1.64 0.00 0.08 2.90 0.13 -1.88 -1.23 132.00 130.36 1ueq h PRO 56 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ueq h PRO 56 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ueq h PRO 56 CO 0.56 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.29 1ueq h ALA 57 N 2.00 -0.11 -0.60 -0.56 0.00 -1.87 -1.90 119.26 116.21 1ueq h ALA 57 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ueq h ALA 57 Cb 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1ueq h ALA 57 CO 0.00 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.24 1ueq h ALA 58 N 0.40 0.79 0.00 0.00 0.00 -1.50 -1.20 119.26 117.74 1ueq h ALA 58 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ueq h ALA 58 Cb 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ueq h ALA 58 CO 0.02 0.10 -0.04 1.96 0.00 0.00 0.00 179.25 181.28 1ueq h GLN 59 N 0.72 0.00 0.08 0.00 4.20 -1.23 -2.64 115.11 116.24 1ueq h GLN 59 Ca 0.25 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.65 1ueq h GLN 59 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ueq h GLN 59 CO -0.11 0.04 -1.66 0.22 -0.67 0.00 0.00 178.83 176.65 1ueq h ASP 60 N 0.00 0.26 0.00 1.46 1.82 -0.82 -3.49 116.42 115.65 1ueq h ASP 60 Ca -0.00 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1ueq h ASP 60 Cb 0.41 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1ueq h ASP 60 CO 0.01 1.39 0.00 0.61 -1.61 0.00 0.00 179.24 179.63 1ueq n GLY 61 N 1.69 2.62 0.00 -0.78 0.00 -0.50 -4.87 105.19 103.35 1ueq n GLY 61 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.13 -5.18 1.61 5.02 -1.26 -4.78 118.16 111.69 1ueq n LYS 62 Ca 0.00 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1ueq n LYS 62 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 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 -2.85 2.23 0.29 1.97 1.75 -1.26 -4.90 119.30 116.54 1ueq s MET 63 Ca 0.17 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.77 1ueq s MET 63 Cb 0.17 -2.14 -0.05 0.00 2.84 0.00 0.00 34.83 35.66 1ueq s MET 63 CO 0.45 0.58 0.12 -1.21 -0.65 0.00 0.00 175.02 174.30 1ueq s GLU 64 N -0.64 1.54 -0.04 4.11 2.02 -1.26 -4.82 118.70 119.61 1ueq s GLU 64 Ca 0.10 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 1ueq s GLU 64 Cb -0.10 -0.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 1ueq s GLU 64 CO -0.00 -0.35 1.07 0.99 0.02 0.00 0.00 175.26 176.98 1ueq s THR 65 N -3.61 4.60 0.00 3.63 2.01 -1.26 -3.43 115.64 117.58 1ueq s THR 65 Ca 0.36 1.88 0.00 0.00 0.31 0.00 0.00 61.69 64.23 1ueq s THR 65 Cb 0.07 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1ueq s THR 65 CO 0.15 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1ueq n GLY 66 N 3.11 2.00 3.70 4.40 0.00 -0.64 -4.94 105.19 112.82 1ueq n GLY 66 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ueq n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ueq n ASP 67 N 0.00 2.42 -4.62 1.61 8.00 -1.22 -4.58 116.55 118.16 1ueq n ASP 67 Ca 0.00 1.06 -0.38 0.00 0.71 0.00 0.00 54.79 56.18 1ueq n ASP 67 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 41.12 39.50 1ueq n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ueq s VAL 68 N -1.24 5.24 -0.28 2.53 1.01 0.04 -0.27 120.40 127.42 1ueq s VAL 68 Ca 0.64 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 1ueq s VAL 68 Cb -0.48 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1ueq s VAL 68 CO 0.56 0.22 1.88 -0.63 0.00 0.00 0.00 175.10 177.13 1ueq s ILE 69 N 1.76 3.37 -0.12 2.22 1.09 0.19 -1.63 121.20 128.10 1ueq s ILE 69 Ca 0.12 0.39 -0.09 0.00 -1.10 0.00 0.00 60.65 59.97 1ueq s ILE 69 Cb -0.15 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 1ueq s ILE 69 CO 0.09 -0.29 -0.17 0.52 -0.10 0.00 0.00 174.94 174.99 1ueq n VAL 70 N 7.34 1.11 -4.12 2.92 0.31 -0.79 -4.34 118.33 120.76 1ueq n VAL 70 Ca 0.24 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.69 1ueq n VAL 70 Cb 0.46 -2.18 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 1ueq n VAL 70 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ueq s TYR 71 N -2.10 0.44 -0.14 3.52 2.02 -1.16 -2.32 117.35 117.61 1ueq s TYR 71 Ca -0.14 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1ueq s TYR 71 Cb 0.02 -0.28 0.01 0.00 -0.40 0.00 0.00 41.96 41.30 1ueq s TYR 71 CO 0.21 -0.02 -0.20 0.42 -1.57 0.00 0.00 175.55 174.39 1ueq s ILE 72 N -0.27 2.22 0.00 2.71 1.01 -0.50 -1.63 121.20 124.74 1ueq s ILE 72 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1ueq s ILE 72 Cb -0.03 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1ueq s ILE 72 CO -0.00 0.54 0.00 -3.20 0.00 0.00 0.00 174.94 172.28 1ueq n ASN 73 N 4.02 0.00 -0.10 3.58 5.15 0.55 -0.84 115.26 127.62 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 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.03 -4.29 1.20 2.13 -1.26 -4.53 120.64 113.92 1ueq n GLU 74 Ca 0.00 -0.61 -0.27 0.00 0.66 0.00 0.00 57.16 56.94 1ueq n GLU 74 Cb 0.00 -0.51 -0.10 0.00 0.27 0.00 0.00 31.44 31.11 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 -0.02 3.11 0.09 6.31 1.01 -0.02 -5.12 120.40 125.76 1ueq s VAL 75 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 1ueq s VAL 75 Cb 0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 1ueq s VAL 75 CO 0.00 -0.07 0.66 0.00 0.00 0.00 0.00 175.10 175.69 1ueq n VAL 77 N 1.93 0.15 0.28 0.00 0.24 -0.98 -4.92 118.33 115.04 1ueq n VAL 77 Ca -0.08 -0.22 0.16 0.00 -2.04 0.00 0.00 64.34 62.16 1ueq n VAL 77 Cb 0.50 1.26 0.79 0.00 -1.47 0.00 0.00 33.84 34.92 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 0.00 -5.94 1.34 -0.00 -1.72 0.22 115.31 109.22 1ueq h LEU 78 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.30 1ueq h LEU 78 Cb 0.61 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.86 1ueq h LEU 78 CO 0.00 0.07 -0.73 0.61 -0.00 0.00 0.00 178.44 178.39 1ueq n GLY 79 N -0.47 4.59 3.56 0.17 0.00 -1.26 -4.38 105.19 107.41 1ueq n GLY 79 Ca -0.01 -2.50 -0.26 0.00 0.00 0.00 0.00 46.02 43.25 1ueq n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ueq s HIS 80 N -2.49 2.36 0.20 1.61 2.46 0.77 -4.57 115.29 115.63 1ueq s HIS 80 Ca 0.41 -0.70 -0.30 0.00 0.47 0.00 0.00 55.06 54.94 1ueq s HIS 80 Cb 0.20 -1.58 -0.08 0.00 -0.13 0.00 0.00 32.58 30.98 1ueq s HIS 80 CO -0.06 0.37 1.13 0.95 -2.47 0.00 0.00 174.74 174.66 1ueq s THR 81 N -2.83 3.70 0.48 0.89 -4.23 -1.26 -4.28 115.64 108.11 1ueq s THR 81 Ca 0.35 1.51 0.21 0.00 -1.18 0.00 0.00 61.69 62.57 1ueq s THR 81 Cb 0.08 -3.96 0.38 0.00 1.34 0.00 0.00 72.50 70.34 1ueq s THR 81 CO 0.17 0.28 1.95 -0.74 -0.54 0.00 0.00 174.62 175.74 1ueq h HIS 82 N 4.87 0.24 -0.97 3.99 2.76 -1.86 -0.42 115.15 123.77 1ueq h HIS 82 Ca -0.45 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1ueq h HIS 82 Cb 1.21 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 30.05 1ueq h HIS 82 CO 0.62 0.09 0.62 0.00 -1.30 0.00 0.00 177.93 177.96 1ueq h ALA 83 N 1.68 1.23 0.04 5.26 0.00 -1.91 -0.44 119.26 125.14 1ueq h ALA 83 Ca 0.32 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1ueq h ALA 83 Cb 0.97 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ueq h ALA 83 CO -0.06 0.65 -0.61 0.22 0.00 0.00 0.00 179.25 179.44 1ueq h ASP 84 N 1.33 0.47 -0.73 0.00 1.82 -1.72 -3.01 116.42 114.57 1ueq h ASP 84 Ca 0.35 -0.83 0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1ueq h ASP 84 Cb -0.12 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 39.71 1ueq h ASP 84 CO -0.07 1.24 0.48 0.58 -1.61 0.00 0.00 179.24 179.86 1ueq h VAL 85 N -0.25 1.19 -0.15 2.25 2.07 -0.99 0.20 116.25 120.56 1ueq h VAL 85 Ca -0.09 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1ueq h VAL 85 Cb 1.37 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ueq h VAL 85 CO 0.12 0.18 -0.22 0.58 0.02 0.00 0.00 177.57 178.25 1ueq h VAL 86 N 0.99 1.23 -0.54 2.57 2.07 -1.20 -1.00 116.25 120.36 1ueq h VAL 86 Ca 0.27 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ueq h VAL 86 Cb -0.11 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1ueq h VAL 86 CO -0.06 0.33 0.36 0.50 0.02 0.00 0.00 177.57 178.71 1ueq h LYS 87 N 0.25 0.72 -0.35 1.57 1.63 -0.91 -3.21 116.57 116.27 1ueq h LYS 87 Ca 0.04 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1ueq h LYS 87 Cb 0.54 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 1ueq h LYS 87 CO 0.04 0.48 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.25 1ueq h LEU 88 N 0.74 0.66 -1.38 5.20 3.38 0.64 0.19 115.31 124.73 1ueq h LEU 88 Ca 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1ueq h LEU 88 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1ueq h LEU 88 CO -0.04 0.85 -0.14 -0.26 0.09 0.00 0.00 178.44 178.94 1ueq h PHE 89 N 0.58 0.00 0.00 1.13 0.04 -1.46 -2.49 116.94 114.75 1ueq h PHE 89 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1ueq h PHE 89 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1ueq h PHE 89 CO 0.03 0.14 -0.71 1.96 -0.60 0.00 0.00 178.31 179.13 1ueq h GLN 90 N 0.00 0.00 0.00 1.51 4.20 -1.02 -3.23 115.11 116.57 1ueq h GLN 90 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ueq h GLN 90 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ueq h GLN 90 CO 0.02 0.00 0.00 0.77 -0.67 0.00 0.00 178.83 178.95 1ueq h SER 91 N 0.00 0.00 -3.29 1.46 0.02 -0.71 -3.42 113.55 107.62 1ueq h SER 91 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1ueq h SER 91 Cb 0.92 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 1ueq h SER 91 CO 0.00 0.00 0.44 -0.69 -1.14 0.00 0.00 176.83 175.44 1ueq s VAL 92 N -3.67 4.85 0.88 2.27 1.01 -1.22 -5.06 120.40 119.46 1ueq s VAL 92 Ca -0.00 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1ueq s VAL 92 Cb 0.09 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.47 1ueq s VAL 92 CO 0.39 -0.03 1.14 -2.84 0.00 0.00 0.00 175.10 173.75 1ueq s PRO 93 N 2.53 1.29 0.69 2.72 0.02 -1.26 -5.00 135.00 135.99 1ueq s PRO 93 Ca 0.37 1.48 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 1ueq s PRO 93 Cb -0.16 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1ueq s PRO 93 CO 0.10 -2.42 1.25 0.42 -0.33 0.00 0.00 177.00 176.01 1ueq s ILE 94 N -2.68 2.16 0.00 2.83 1.01 -1.26 -2.88 121.20 120.38 1ueq s ILE 94 Ca 0.66 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1ueq s ILE 94 Cb -0.22 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1ueq s ILE 94 CO 0.57 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1ueq n GLY 95 N 0.66 2.76 3.96 6.18 0.00 0.52 -4.99 105.19 114.28 1ueq n GLY 95 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.00 3.18 0.07 1.61 -1.52 -1.14 -4.76 119.66 117.10 1ueq s GLN 96 Ca 0.00 -0.60 0.08 0.00 -1.95 0.00 0.00 55.36 52.88 1ueq s GLN 96 Cb 0.00 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 30.09 1ueq s GLN 96 CO 0.00 -0.06 -0.18 -1.54 -0.25 0.00 0.00 175.29 173.26 1ueq s SER 97 N -4.16 3.85 0.02 5.90 1.04 -1.26 -0.62 113.70 118.47 1ueq s SER 97 Ca 0.45 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1ueq s SER 97 Cb -0.10 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 1ueq s SER 97 CO 0.35 0.23 -0.07 0.68 0.98 0.00 0.00 173.24 175.42 1ueq s VAL 98 N -1.00 0.49 0.50 5.02 -7.23 -1.10 -5.01 120.40 112.07 1ueq s VAL 98 Ca 0.16 -0.67 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 1ueq s VAL 98 Cb -0.11 -0.49 -0.06 0.00 0.56 0.00 0.00 36.38 36.29 1ueq s VAL 98 CO 0.07 -0.14 0.89 0.20 -0.31 0.00 0.00 175.10 175.82 1ueq s ASN 99 N -0.87 6.41 -0.17 4.85 -0.87 -1.26 -2.86 114.94 120.17 1ueq s ASN 99 Ca -0.04 1.27 -0.04 0.00 -1.57 0.00 0.00 52.86 52.48 1ueq s ASN 99 Cb -0.06 -2.39 0.08 0.00 -0.02 0.00 0.00 41.25 38.86 1ueq s ASN 99 CO 0.00 -0.61 0.24 -0.76 -2.57 0.00 0.00 177.10 173.40 1ueq s LEU 100 N -4.45 -0.20 -0.14 0.60 1.43 0.35 -0.33 118.68 115.94 1ueq s LEU 100 Ca 0.53 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.55 1ueq s LEU 100 Cb -0.10 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.61 1ueq s LEU 100 CO 0.40 -0.29 0.58 -0.69 0.23 0.00 0.00 176.35 176.59 1ueq s VAL 101 N 2.37 5.09 0.37 -1.59 1.01 -0.65 -1.70 120.40 125.31 1ueq s VAL 101 Ca 0.05 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.25 1ueq s VAL 101 Cb -0.14 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1ueq s VAL 101 CO -0.11 0.23 -0.00 -0.76 0.00 0.00 0.00 175.10 174.46 1ueq s LEU 102 N 1.17 2.70 0.00 3.92 1.43 -0.56 -1.89 118.68 125.45 1ueq s LEU 102 Ca 0.29 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1ueq s LEU 102 Cb -0.16 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1ueq s LEU 102 CO 0.12 -0.44 -0.18 0.00 0.23 0.00 0.00 176.35 176.09 1ueq s ARG 104 N -0.64 2.38 0.00 0.00 3.52 0.54 -0.78 118.95 123.98 1ueq s ARG 104 Ca 0.06 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 1ueq s ARG 104 Cb -0.07 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1ueq s ARG 104 CO 0.00 0.44 0.00 0.41 -0.81 0.00 0.00 175.30 175.34 1ueq n GLY 105 N -0.28 0.81 3.76 8.12 0.00 -1.26 -1.56 105.19 114.77 1ueq n GLY 105 Ca -0.09 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.02 3.11 1.02 1.61 2.02 -1.26 -5.05 117.35 117.78 1ueq s TYR 106 Ca 0.00 1.39 -0.14 0.00 -0.37 0.00 0.00 57.07 57.95 1ueq s TYR 106 Cb 0.00 -3.65 0.20 0.00 -0.40 0.00 0.00 41.96 38.11 1ueq s TYR 106 CO 0.00 -1.80 1.11 -1.25 -1.57 0.00 0.00 175.55 172.04 1ueq s PRO 107 N -1.49 0.24 0.87 -1.71 0.04 -1.26 -4.81 135.00 126.89 1ueq s PRO 107 Ca 0.50 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1ueq s PRO 107 Cb -0.39 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.54 1ueq s PRO 107 CO 0.50 -2.81 1.10 -0.51 0.04 0.00 0.00 177.00 175.32 1ueq s LEU 108 N -6.44 2.62 0.03 -3.56 1.43 -1.26 -4.98 118.68 106.52 1ueq s LEU 108 Ca 0.66 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 1ueq s LEU 108 Cb -0.16 -4.31 -0.21 0.00 0.03 0.00 0.00 46.19 41.55 1ueq s LEU 108 CO 0.56 -2.67 1.18 1.55 0.23 0.00 0.00 176.35 177.20 1ueq h PRO 109 N -1.57 0.50 -6.94 1.29 0.13 -1.97 -3.44 132.00 120.00 1ueq h PRO 109 Ca -0.46 -0.47 -0.47 0.00 -0.87 0.00 0.00 66.00 63.73 1ueq h PRO 109 Cb 1.26 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1ueq h PRO 109 CO 0.49 1.11 0.36 0.12 -0.23 0.00 0.00 178.00 179.84 1ueq s PHE 110 N -3.46 3.52 -0.60 1.56 5.36 -1.26 -5.04 117.98 118.05 1ueq s PHE 110 Ca -0.13 1.72 -0.05 0.00 -0.96 0.00 0.00 56.93 57.51 1ueq s PHE 110 Cb 0.05 -2.95 0.16 0.00 -0.34 0.00 0.00 43.02 39.93 1ueq s PHE 110 CO 0.84 -0.04 0.44 -0.51 -1.46 0.00 0.00 175.22 174.48 1ueq s ASP 111 N -1.72 5.46 0.35 6.13 1.01 -1.26 -4.95 116.67 121.69 1ueq s ASP 111 Ca 0.54 -2.63 0.27 0.00 0.71 0.00 0.00 52.55 51.44 1ueq s ASP 111 Cb -0.17 -1.91 1.04 0.00 1.01 0.00 0.00 42.92 42.89 1ueq s ASP 111 CO 0.22 -0.45 1.80 1.55 0.21 0.00 0.00 175.17 178.50 1ueq h PRO 112 N 7.40 0.00 0.50 8.23 0.13 -1.99 -2.92 132.00 143.34 1ueq h PRO 112 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1ueq h PRO 112 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ueq h PRO 112 CO 0.73 0.00 -0.24 0.93 -0.23 0.00 0.00 178.00 179.19 1ueq h GLU 113 N 0.00 -0.64 -0.74 0.86 5.08 -2.05 -3.45 114.58 113.63 1ueq h GLU 113 Ca 0.00 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.59 1ueq h GLU 113 Cb 0.49 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 29.67 1ueq h GLU 113 CO 0.00 -0.35 0.09 0.34 -1.00 0.00 0.00 179.01 178.08 1ueq s ASP 114 N -4.73 -0.69 0.21 1.42 2.15 -1.19 -5.08 116.67 108.76 1ueq s ASP 114 Ca -0.15 0.62 0.24 0.00 0.43 0.00 0.00 52.55 53.68 1ueq s ASP 114 Cb 0.03 1.65 0.28 0.00 -0.30 0.00 0.00 42.92 44.58 1ueq s ASP 114 CO 0.56 -0.13 1.32 1.55 -0.17 0.00 0.00 175.17 178.30 1ueq h PRO 115 N 7.82 0.00 0.00 4.34 0.13 -1.84 -3.44 132.00 139.01 1ueq h PRO 115 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ueq h PRO 115 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ueq h PRO 115 CO 0.04 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 1ueq n ALA 116 N -1.98 0.00 -0.97 -0.56 0.00 -1.26 -4.97 120.51 110.77 1ueq n ALA 116 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1ueq n ALA 116 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 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 -5.68 -2.90 0.00 3.02 -1.26 -5.09 115.26 103.35 1ueq n ASN 117 Ca 0.00 0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 55.15 1ueq n ASN 117 Cb 0.00 -3.17 -0.05 0.00 -0.61 0.00 0.00 39.78 35.95 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ueq n SER 118 N -3.68 -0.89 -3.51 6.41 2.88 -1.26 -5.05 113.62 108.51 1ueq n SER 118 Ca -0.03 -2.84 -0.08 0.00 -1.33 0.00 0.00 58.87 54.59 1ueq n SER 118 Cb 0.45 1.83 -0.02 0.00 -0.75 0.00 0.00 64.21 65.72 1ueq n SER 118 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ueq s GLY 119 N -3.01 -0.44 0.66 0.46 0.00 -1.26 -5.17 107.32 98.56 1ueq s GLY 119 Ca 0.31 1.10 -0.13 0.00 0.00 0.00 0.00 44.72 46.00 1ueq s GLY 119 CO 0.22 0.38 1.08 2.56 0.00 0.00 0.00 173.10 177.34 1ueq s PRO 120 N -2.99 2.91 -0.30 2.90 0.04 -1.26 -5.06 135.00 131.25 1ueq s PRO 120 Ca 0.05 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 1ueq s PRO 120 Cb -0.01 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.71 1ueq s PRO 120 CO -0.08 -1.13 0.65 0.45 0.04 0.00 0.00 177.00 176.92 1ueq s SER 121 N -3.08 -1.23 0.00 6.66 0.15 -1.26 -5.17 113.70 109.77 1ueq s SER 121 Ca 0.63 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.48 1ueq s SER 121 Cb -0.17 2.21 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 1ueq s SER 121 CO 0.46 -0.23 0.00 -1.54 1.20 0.00 0.00 173.24 173.12 1ueq n SER 122 N 5.43 0.09 -0.95 5.45 3.41 -1.26 -5.35 113.62 120.43 1ueq n SER 122 Ca -0.07 -0.43 0.12 0.00 -0.26 0.00 0.00 58.87 58.23 1ueq n SER 122 Cb 0.50 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.56 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49