#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 -2.73 -4.75 1.61 7.64 -1.26 -4.86 113.62 109.26 1ueq n SER 2 Ca 0.00 0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 1ueq n SER 2 Cb 0.00 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1ueq n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ueq n SER 3 N 0.95 3.50 -3.69 6.43 2.88 -1.26 -5.01 113.62 117.43 1ueq n SER 3 Ca -0.02 1.22 -0.15 0.00 -1.33 0.00 0.00 58.87 58.59 1ueq n SER 3 Cb 0.27 -1.59 -0.08 0.00 -0.75 0.00 0.00 64.21 62.06 1ueq n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ueq s GLY 4 N -0.19 1.70 0.46 0.46 0.00 -1.26 -5.18 107.32 103.30 1ueq s GLY 4 Ca 0.54 -1.74 0.07 0.00 0.00 0.00 0.00 44.72 43.59 1ueq s GLY 4 CO 0.63 -1.29 0.36 -0.56 0.00 0.00 0.00 173.10 172.25 1ueq s SER 5 N -3.24 4.81 0.83 1.64 0.01 -1.26 -5.05 113.70 111.44 1ueq s SER 5 Ca 0.37 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1ueq s SER 5 Cb 0.03 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1ueq s SER 5 CO 0.19 -0.79 0.00 -1.20 0.41 0.00 0.00 173.24 171.85 1ueq n SER 6 N -1.58 -6.29 0.00 2.44 7.64 -1.26 -5.03 113.62 109.54 1ueq n SER 6 Ca 0.02 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1ueq n SER 6 Cb 0.63 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1ueq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ueq n GLY 7 N -0.85 1.82 0.00 0.23 0.00 -1.26 -5.12 105.19 100.01 1ueq n GLY 7 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ueq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ueq n LEU 8 N 0.00 0.00 -4.75 0.99 4.32 -1.26 -5.05 117.00 111.25 1ueq n LEU 8 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 1ueq n LEU 8 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1ueq n LEU 8 CO 0.00 0.00 0.78 0.12 -1.22 0.00 0.00 177.39 177.07 1ueq s PHE 9 N 0.47 2.39 0.00 -1.77 5.36 -1.26 -5.05 117.98 118.13 1ueq s PHE 9 Ca 0.00 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1ueq s PHE 9 Cb 0.00 -3.33 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1ueq s PHE 9 CO 0.00 -2.07 0.00 2.41 -1.46 0.00 0.00 175.22 174.10 1ueq n THR 10 N -2.32 0.00 0.00 0.12 -1.04 -1.26 -5.06 114.28 104.72 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 0.51 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 0.00 -2.82 1.74 -1.26 -4.87 116.66 109.45 1ueq n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ueq n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.56 0.00 0.55 -0.08 -1.26 -4.94 116.55 111.37 1ueq n ASP 12 Ca 0.00 -0.79 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1ueq n ASP 12 Cb 0.00 0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ueq n ALA 13 N -0.35 0.00 0.43 -1.67 0.00 -1.26 -4.63 120.51 113.03 1ueq n ALA 13 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ueq n ALA 13 Cb 0.01 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.70 1ueq n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ueq n SER 14 N 0.50 0.00 0.27 0.00 7.64 -1.26 -0.59 113.62 120.18 1ueq n SER 14 Ca 0.00 0.21 0.18 0.00 1.01 0.00 0.00 58.87 60.27 1ueq n SER 14 Cb 0.00 -0.32 0.82 0.00 -1.01 0.00 0.00 64.21 63.69 1ueq n SER 14 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ueq h GLN 15 N 0.00 0.00 -6.68 1.43 1.08 -1.91 -3.44 115.11 105.58 1ueq h GLN 15 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 1ueq h GLN 15 Cb 0.10 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1ueq h GLN 15 CO 0.00 0.00 -0.06 -0.51 -0.95 0.00 0.00 178.83 177.31 1ueq s LEU 16 N -5.88 3.87 0.00 1.46 1.43 0.25 -5.00 118.68 114.80 1ueq s LEU 16 Ca -0.01 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1ueq s LEU 16 Cb 0.10 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.76 1ueq s LEU 16 CO 0.47 -0.39 0.55 2.29 0.23 0.00 0.00 176.35 179.50 1ueq n LYS 17 N -1.84 1.83 -0.47 1.70 0.00 -1.26 -5.02 118.16 113.10 1ueq n LYS 17 Ca -0.02 -0.58 -0.08 0.00 -0.00 0.00 0.00 58.31 57.63 1ueq n LYS 17 Cb 0.55 -1.01 0.06 0.00 -0.00 0.00 0.00 35.03 34.64 1ueq n LYS 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ueq n GLY 18 N 0.68 -1.57 3.89 2.58 0.00 -1.26 -5.09 105.19 104.42 1ueq n GLY 18 Ca 0.03 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.75 4.88 -0.08 2.61 2.01 -1.26 -4.91 115.64 117.14 1ueq s THR 19 Ca 0.21 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1ueq s THR 19 Cb -0.01 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1ueq s THR 19 CO 0.15 -0.57 -0.17 -0.36 -0.69 0.00 0.00 174.62 172.98 1ueq s PHE 20 N -2.42 1.86 0.47 4.92 0.40 -1.26 -0.78 117.98 121.17 1ueq s PHE 20 Ca 0.48 -0.72 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1ueq s PHE 20 Cb -0.10 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.12 1ueq s PHE 20 CO 0.35 -0.33 0.34 -0.51 0.70 0.00 0.00 175.22 175.77 1ueq s LEU 21 N 0.54 3.05 -0.12 -0.37 2.01 -0.21 -5.01 118.68 118.57 1ueq s LEU 21 Ca -0.16 -1.03 -0.15 0.00 0.01 0.00 0.00 54.13 52.80 1ueq s LEU 21 Cb -0.17 -1.56 0.04 0.00 0.01 0.00 0.00 46.19 44.52 1ueq s LEU 21 CO 0.06 -0.80 0.39 -0.94 1.01 0.00 0.00 176.35 176.07 1ueq s SER 22 N -4.13 -0.38 0.09 2.29 1.04 -1.26 -3.76 113.70 107.58 1ueq s SER 22 Ca 0.41 0.64 -0.13 0.00 0.48 0.00 0.00 55.95 57.35 1ueq s SER 22 Cb -0.01 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1ueq s SER 22 CO 0.24 -0.23 0.31 0.28 0.98 0.00 0.00 173.24 174.82 1ueq s THR 23 N -0.20 0.09 -0.29 2.02 -1.32 -0.75 -4.99 115.64 110.20 1ueq s THR 23 Ca -0.04 -0.77 0.03 0.00 -1.21 0.00 0.00 61.69 59.70 1ueq s THR 23 Cb -0.03 -1.13 0.08 0.00 -1.51 0.00 0.00 72.50 69.90 1ueq s THR 23 CO 0.02 -0.43 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.08 1ueq s THR 24 N -3.36 2.04 -0.30 5.08 2.01 -1.26 -0.42 115.64 119.43 1ueq s THR 24 Ca 0.01 -1.81 -0.13 0.00 0.31 0.00 0.00 61.69 60.06 1ueq s THR 24 Cb 0.02 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1ueq s THR 24 CO -0.09 -0.27 0.30 -0.76 -0.69 0.00 0.00 174.62 173.11 1ueq s LEU 25 N 1.10 4.16 -0.32 4.42 1.43 -1.01 -4.92 118.68 123.54 1ueq s LEU 25 Ca -0.01 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 1ueq s LEU 25 Cb -0.19 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1ueq s LEU 25 CO -0.07 -0.18 0.55 -0.75 0.23 0.00 0.00 176.35 176.13 1ueq s LYS 26 N 1.92 3.77 -0.96 1.70 2.20 -1.26 -3.33 119.74 123.78 1ueq s LYS 26 Ca 0.11 0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.62 1ueq s LYS 26 Cb -0.16 -3.76 -0.29 0.00 -1.51 0.00 0.00 37.83 32.11 1ueq s LYS 26 CO 0.11 -0.58 2.28 1.17 -0.36 0.00 0.00 175.35 177.97 1ueq n LYS 27 N 5.77 0.10 -2.59 4.03 3.00 0.50 -4.89 118.16 124.09 1ueq n LYS 27 Ca -0.03 -0.10 -0.43 0.00 -0.00 0.00 0.00 58.31 57.74 1ueq n LYS 27 Cb 0.49 -1.48 -0.02 0.00 0.00 0.00 0.00 35.03 34.02 1ueq n LYS 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ueq s SER 28 N 3.17 6.68 0.00 3.14 0.15 -1.22 -3.74 113.70 121.88 1ueq s SER 28 Ca 1.27 0.65 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1ueq s SER 28 Cb -0.81 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 60.95 1ueq s SER 28 CO 0.49 -1.18 0.00 -3.20 1.20 0.00 0.00 173.24 170.55 1ueq n ASN 29 N 7.69 0.00 0.29 5.45 2.85 -1.26 -1.01 115.26 129.26 1ueq n ASN 29 Ca 0.12 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.78 1ueq n ASN 29 Cb 0.48 0.00 0.94 0.00 1.24 0.00 0.00 39.78 42.45 1ueq n ASN 29 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1ueq h MET 30 N 0.00 0.00 0.00 1.20 2.86 -2.01 -3.45 114.93 113.53 1ueq h MET 30 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ueq h MET 30 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ueq h MET 30 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1ueq n GLY 31 N -1.25 0.25 3.63 8.32 0.00 -0.18 -5.01 105.19 110.96 1ueq n GLY 31 Ca -0.01 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 3.25 0.00 1.61 0.08 -1.26 -3.41 117.98 118.25 1ueq s PHE 32 Ca 0.00 0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.08 1ueq s PHE 32 Cb 0.00 -2.09 -0.21 0.00 -0.57 0.00 0.00 43.02 40.15 1ueq s PHE 32 CO 0.00 0.15 3.08 0.41 -0.10 0.00 0.00 175.22 178.75 1ueq n GLY 33 N 3.57 2.69 3.43 4.36 0.00 -1.26 -4.73 105.19 113.25 1ueq n GLY 33 Ca -0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 1.17 0.81 0.17 1.61 -0.71 -1.26 -0.68 117.98 119.08 1ueq s PHE 34 Ca 0.53 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1ueq s PHE 34 Cb 0.25 -0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 1ueq s PHE 34 CO 0.00 -0.90 -0.02 0.95 -1.34 0.00 0.00 175.22 173.91 1ueq s THR 35 N -3.87 0.78 0.30 -4.49 -4.23 -0.03 -4.90 115.64 99.21 1ueq s THR 35 Ca 0.30 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1ueq s THR 35 Cb 0.02 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.75 1ueq s THR 35 CO 0.13 -0.55 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.89 1ueq s ILE 36 N -3.58 2.30 0.14 2.99 1.09 -1.26 -0.66 121.20 122.22 1ueq s ILE 36 Ca 0.22 -2.30 0.04 0.00 -1.10 0.00 0.00 60.65 57.51 1ueq s ILE 36 Cb 0.05 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.97 1ueq s ILE 36 CO 0.03 -0.32 -0.09 -0.51 -0.10 0.00 0.00 174.94 173.95 1ueq s ILE 37 N -2.60 1.07 0.03 2.92 2.07 -0.07 -4.50 121.20 120.11 1ueq s ILE 37 Ca 0.31 -2.03 -0.00 0.00 -1.41 0.00 0.00 60.65 57.51 1ueq s ILE 37 Cb -0.01 -1.81 -0.02 0.00 0.13 0.00 0.00 42.46 40.75 1ueq s ILE 37 CO 0.15 -0.77 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.56 1ueq s GLY 38 N -3.13 0.29 0.00 1.50 0.00 -1.26 -1.54 107.32 103.19 1ueq s GLY 38 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1ueq s GLY 38 CO -0.01 -0.82 0.97 0.61 0.00 0.00 0.00 173.10 173.86 1ueq n GLY 39 N 1.21 -2.72 0.63 0.20 0.00 -1.14 -4.92 105.19 98.46 1ueq n GLY 39 Ca -0.21 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.27 -0.29 -4.97 1.61 -0.08 -1.26 -5.11 116.55 104.19 1ueq n ASP 40 Ca 0.00 0.13 -0.21 0.00 -1.51 0.00 0.00 54.79 53.20 1ueq n ASP 40 Cb 0.00 0.46 -0.00 0.00 2.34 0.00 0.00 41.12 43.91 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ueq s GLU 41 N -2.00 3.21 0.00 -0.67 2.02 -1.26 -4.95 118.70 115.05 1ueq s GLU 41 Ca 0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 1ueq s GLU 41 Cb 0.00 -2.75 -0.17 0.00 0.10 0.00 0.00 34.13 31.31 1ueq s GLU 41 CO 0.00 0.06 2.64 -0.35 0.02 0.00 0.00 175.26 177.63 1ueq n PRO 42 N -1.73 1.39 0.00 0.39 -0.04 -1.26 -2.30 135.00 131.45 1ueq n PRO 42 Ca -0.02 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1ueq n PRO 42 Cb 0.58 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1ueq n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ueq n ASP 43 N 2.46 0.00 -4.90 3.54 2.03 -1.22 -4.78 116.55 113.68 1ueq n ASP 43 Ca 0.27 -0.27 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1ueq n ASP 43 Cb 0.64 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 44 N 0.00 3.65 0.26 -0.67 2.02 -0.97 -4.69 118.70 118.30 1ueq s GLU 44 Ca 0.00 -0.00 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 1ueq s GLU 44 Cb 0.00 -2.72 -0.12 0.00 0.10 0.00 0.00 34.13 31.39 1ueq s GLU 44 CO 0.00 0.32 1.55 1.19 0.02 0.00 0.00 175.26 178.34 1ueq n PHE 45 N -0.47 2.60 -3.72 1.61 3.72 -1.26 -4.40 117.46 115.53 1ueq n PHE 45 Ca -0.02 0.29 -0.36 0.00 -0.05 0.00 0.00 57.45 57.31 1ueq n PHE 45 Cb 0.53 -2.56 -0.09 0.00 -0.94 0.00 0.00 39.48 36.42 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 -0.06 4.08 0.11 4.37 1.43 -1.26 -2.87 118.68 124.49 1ueq s LEU 46 Ca 0.67 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.95 1ueq s LEU 46 Cb -0.55 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1ueq s LEU 46 CO 0.47 0.10 -0.12 -1.10 0.23 0.00 0.00 176.35 175.93 1ueq s GLN 47 N 0.83 0.95 -0.26 1.70 -0.21 -0.59 -0.44 119.66 121.64 1ueq s GLN 47 Ca 0.07 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 53.95 1ueq s GLN 47 Cb -0.13 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.11 1ueq s GLN 47 CO 0.02 0.13 1.75 0.08 -2.12 0.00 0.00 175.29 175.16 1ueq s VAL 48 N -2.29 3.52 0.05 1.09 1.01 0.12 -0.90 120.40 123.00 1ueq s VAL 48 Ca 0.08 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1ueq s VAL 48 Cb -0.04 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1ueq s VAL 48 CO 0.02 -0.33 1.47 0.50 0.00 0.00 0.00 175.10 176.76 1ueq h LYS 49 N 12.00 0.22 -3.12 2.72 3.64 -1.12 -2.24 116.57 128.66 1ueq h LYS 49 Ca -0.35 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1ueq h LYS 49 Cb 1.17 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 1ueq h LYS 49 CO 1.01 0.47 0.03 -1.12 -2.27 0.00 0.00 179.45 177.57 1ueq s SER 50 N -5.74 -0.38 0.00 4.20 0.01 -1.15 -4.77 113.70 105.87 1ueq s SER 50 Ca -0.14 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1ueq s SER 50 Cb 0.05 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 1ueq s SER 50 CO 0.71 -0.84 -0.00 -0.69 0.41 0.00 0.00 173.24 172.82 1ueq s VAL 51 N -3.41 4.12 -0.04 3.43 1.01 -1.26 -0.85 120.40 123.40 1ueq s VAL 51 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1ueq s VAL 51 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ueq s VAL 51 CO -0.09 0.36 0.92 -0.63 0.00 0.00 0.00 175.10 175.66 1ueq s ILE 52 N -1.09 4.89 0.88 2.22 -1.09 0.14 -4.93 121.20 122.22 1ueq s ILE 52 Ca 0.20 1.90 -0.10 0.00 -2.23 0.00 0.00 60.65 60.42 1ueq s ILE 52 Cb -0.11 -4.25 0.13 0.00 -1.58 0.00 0.00 42.46 36.64 1ueq s ILE 52 CO 0.11 0.15 1.13 -2.16 -1.23 0.00 0.00 174.94 172.93 1ueq s PRO 53 N 1.20 1.28 0.00 2.79 0.04 -1.26 -3.25 135.00 135.80 1ueq s PRO 53 Ca 0.48 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1ueq s PRO 53 Cb -0.20 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ueq s PRO 53 CO 0.23 -2.42 0.00 -0.25 0.04 0.00 0.00 177.00 174.61 1ueq n ASP 54 N -4.08 0.00 -4.14 6.66 8.00 -1.26 -4.94 116.55 116.79 1ueq n ASP 54 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1ueq n ASP 54 Cb 0.52 -1.12 0.18 0.00 -0.02 0.00 0.00 41.12 40.69 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ueq s GLY 55 N -1.71 1.78 0.31 0.44 0.00 -1.20 -4.72 107.32 102.22 1ueq s GLY 55 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 1ueq s GLY 55 CO 0.00 -0.46 1.95 -0.56 0.00 0.00 0.00 173.10 174.02 1ueq h PRO 56 N -1.61 0.97 -0.24 2.90 0.13 -1.88 -0.89 132.00 131.38 1ueq h PRO 56 Ca -0.44 -0.09 -0.13 0.00 -0.87 0.00 0.00 66.00 64.47 1ueq h PRO 56 Cb 1.23 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1ueq h PRO 56 CO 0.38 0.69 -0.40 0.00 -0.23 0.00 0.00 178.00 178.43 1ueq h ALA 57 N 1.48 0.85 -0.22 -0.56 0.00 -1.88 -0.74 119.26 118.19 1ueq h ALA 57 Ca 0.26 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1ueq h ALA 57 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ueq h ALA 57 CO -0.05 0.64 -0.57 0.00 0.00 0.00 0.00 179.25 179.28 1ueq h ALA 58 N 1.09 0.37 -0.05 0.00 0.00 -1.52 -0.53 119.26 118.62 1ueq h ALA 58 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ueq h ALA 58 Cb 0.90 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ueq h ALA 58 CO 0.08 0.60 0.03 1.96 0.00 0.00 0.00 179.25 181.91 1ueq h GLN 59 N 0.51 0.07 -0.48 0.00 4.20 -1.18 -3.07 115.11 115.17 1ueq h GLN 59 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1ueq h GLN 59 Cb 1.19 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1ueq h GLN 59 CO 0.12 0.13 0.20 0.22 -0.67 0.00 0.00 178.83 178.83 1ueq h ASP 60 N -0.01 0.62 0.00 1.46 3.58 -1.09 -3.46 116.42 117.51 1ueq h ASP 60 Ca 0.02 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1ueq h ASP 60 Cb 0.08 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ueq h ASP 60 CO -0.00 0.56 0.00 0.61 -2.88 0.00 0.00 179.24 177.52 1ueq n GLY 61 N -1.14 2.94 0.16 -0.78 0.00 -0.21 -4.80 105.19 101.36 1ueq n GLY 61 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 1.91 0.48 -6.25 1.61 6.56 -1.89 -3.42 116.57 115.57 1ueq h LYS 62 Ca 0.00 -0.09 -0.56 0.00 -1.06 0.00 0.00 60.65 58.94 1ueq h LYS 62 Cb 0.00 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1ueq h LYS 62 CO 0.00 0.49 1.19 1.41 -2.06 0.00 0.00 179.45 180.48 1ueq s MET 63 N -5.51 3.82 0.05 3.15 1.75 -1.26 -4.97 119.30 116.33 1ueq s MET 63 Ca -0.13 1.96 -0.01 0.00 -1.25 0.00 0.00 55.69 56.25 1ueq s MET 63 Cb 0.09 -4.10 -0.04 0.00 2.84 0.00 0.00 34.83 33.63 1ueq s MET 63 CO 0.74 -1.28 -0.02 -1.21 -0.65 0.00 0.00 175.02 172.60 1ueq s GLU 64 N 4.78 0.60 -0.29 4.11 2.02 -1.26 -4.74 118.70 123.91 1ueq s GLU 64 Ca 0.79 -1.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 1ueq s GLU 64 Cb -0.30 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 1ueq s GLU 64 CO 0.32 -0.11 0.73 0.99 0.02 0.00 0.00 175.26 177.21 1ueq s THR 65 N -3.71 4.86 0.00 3.63 2.01 -1.26 -3.09 115.64 118.08 1ueq s THR 65 Ca 0.05 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1ueq s THR 65 Cb 0.06 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1ueq s THR 65 CO -0.09 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1ueq n GLY 66 N 4.21 0.53 3.72 4.40 0.00 -0.84 -4.88 105.19 112.33 1ueq n GLY 66 Ca 0.02 0.00 -0.34 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 -2.00 4.05 -0.30 1.61 1.11 -1.18 -4.60 116.67 115.37 1ueq s ASP 67 Ca 0.00 2.32 -0.09 0.00 0.18 0.00 0.00 52.55 54.96 1ueq s ASP 67 Cb 0.00 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 1ueq s ASP 67 CO 0.00 -2.36 0.14 -0.69 1.18 0.00 0.00 175.17 173.44 1ueq s VAL 68 N -2.09 4.60 -0.02 -1.27 1.01 -0.25 -0.71 120.40 121.67 1ueq s VAL 68 Ca 0.73 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1ueq s VAL 68 Cb -0.28 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1ueq s VAL 68 CO 0.47 0.13 1.91 -0.63 0.00 0.00 0.00 175.10 176.99 1ueq s ILE 69 N 1.62 3.17 -0.12 2.22 1.09 0.41 -0.99 121.20 128.60 1ueq s ILE 69 Ca 0.05 0.20 -0.12 0.00 -1.10 0.00 0.00 60.65 59.68 1ueq s ILE 69 Cb -0.17 -3.14 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 1ueq s ILE 69 CO 0.06 -0.03 -0.25 0.52 -0.10 0.00 0.00 174.94 175.14 1ueq n VAL 70 N 5.80 1.34 -4.18 2.92 0.31 -0.72 -4.43 118.33 119.38 1ueq n VAL 70 Ca 0.20 0.10 -0.18 0.00 -0.01 0.00 0.00 64.34 64.46 1ueq n VAL 70 Cb 0.42 -2.04 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 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 -2.57 1.22 -0.11 3.52 1.51 -1.18 -1.28 117.35 118.46 1ueq s TYR 71 Ca -0.22 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1ueq s TYR 71 Cb 0.05 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1ueq s TYR 71 CO 0.31 0.06 -0.11 0.42 -1.11 0.00 0.00 175.55 175.12 1ueq s ILE 72 N -1.42 1.23 0.00 2.71 1.01 -0.28 -2.52 121.20 121.93 1ueq s ILE 72 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1ueq s ILE 72 Cb -0.09 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1ueq s ILE 72 CO 0.02 0.39 0.00 -3.20 0.00 0.00 0.00 174.94 172.16 1ueq n ASN 73 N 4.52 0.00 0.00 3.58 5.15 0.83 -0.73 115.26 128.60 1ueq n ASN 73 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1ueq n ASN 73 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1ueq n ASN 73 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1ueq n GLU 74 N 0.00 0.13 -3.10 1.20 0.28 -1.26 -4.59 120.64 113.29 1ueq n GLU 74 Ca 0.00 -0.01 -0.40 0.00 -0.16 0.00 0.00 57.16 56.59 1ueq n GLU 74 Cb 0.00 -0.19 -0.06 0.00 1.43 0.00 0.00 31.44 32.62 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ueq s VAL 75 N -0.02 5.02 -0.03 3.84 1.01 0.09 -5.02 120.40 125.29 1ueq s VAL 75 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1ueq s VAL 75 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1ueq s VAL 75 CO 0.00 0.12 1.72 0.00 0.00 0.00 0.00 175.10 176.94 1ueq n VAL 77 N 5.48 0.64 0.25 0.00 0.24 -0.41 -4.88 118.33 119.66 1ueq n VAL 77 Ca 0.18 -0.81 0.15 0.00 -2.04 0.00 0.00 64.34 61.82 1ueq n VAL 77 Cb 0.42 0.69 0.86 0.00 -1.47 0.00 0.00 33.84 34.33 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 -2.96 1.34 8.10 -1.58 0.56 115.31 120.77 1ueq h LEU 78 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ueq h LEU 78 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 1ueq h LEU 78 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 1ueq n GLY 79 N -1.38 3.04 3.84 0.17 0.00 -1.26 -4.35 105.19 105.25 1ueq n GLY 79 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.22 2.99 0.44 1.61 2.46 0.18 -3.39 115.29 118.38 1ueq s HIS 80 Ca 0.16 1.07 -0.22 0.00 0.47 0.00 0.00 55.06 56.54 1ueq s HIS 80 Cb 0.10 -3.15 -0.09 0.00 -0.13 0.00 0.00 32.58 29.31 1ueq s HIS 80 CO 0.09 -1.60 1.03 0.95 -2.47 0.00 0.00 174.74 172.73 1ueq s THR 81 N -3.27 3.86 0.36 0.89 -4.23 -1.26 -4.66 115.64 107.33 1ueq s THR 81 Ca 0.60 1.25 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 1ueq s THR 81 Cb -0.13 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.39 1ueq s THR 81 CO 0.53 -0.16 1.99 -0.74 -0.54 0.00 0.00 174.62 175.71 1ueq h HIS 82 N 1.96 0.70 -0.61 3.99 2.76 -1.92 -1.20 115.15 120.83 1ueq h HIS 82 Ca -0.49 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 57.76 1ueq h HIS 82 Cb 1.21 -0.23 -0.07 0.00 1.55 0.00 0.00 27.41 29.88 1ueq h HIS 82 CO 0.58 0.48 0.27 0.00 -1.30 0.00 0.00 177.93 177.95 1ueq h ALA 83 N 1.61 0.80 0.26 5.26 0.00 -1.97 0.18 119.26 125.41 1ueq h ALA 83 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ueq h ALA 83 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ueq h ALA 83 CO -0.03 -0.13 -0.13 0.22 0.00 0.00 0.00 179.25 179.18 1ueq h ASP 84 N 0.48 -0.30 -0.98 0.00 3.58 -1.87 -3.19 116.42 114.14 1ueq h ASP 84 Ca 0.30 -0.23 0.11 0.00 0.42 0.00 0.00 57.03 57.62 1ueq h ASP 84 Cb 0.31 0.08 -0.08 0.00 1.72 0.00 0.00 39.33 41.36 1ueq h ASP 84 CO -0.26 0.18 0.63 0.58 -2.88 0.00 0.00 179.24 177.48 1ueq h VAL 85 N -0.89 0.96 -0.87 2.25 2.07 -1.01 0.44 116.25 119.21 1ueq h VAL 85 Ca -0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ueq h VAL 85 Cb 0.51 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1ueq h VAL 85 CO 0.06 0.18 0.52 0.58 0.02 0.00 0.00 177.57 178.93 1ueq h VAL 86 N 1.01 1.24 -0.40 2.57 2.07 -0.77 -1.59 116.25 120.38 1ueq h VAL 86 Ca 0.47 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1ueq h VAL 86 Cb 0.42 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1ueq h VAL 86 CO -0.23 0.25 -0.10 0.07 0.02 0.00 0.00 177.57 177.58 1ueq h LYS 87 N 1.19 0.71 -0.43 1.57 2.10 -0.16 -1.91 116.57 119.65 1ueq h LYS 87 Ca 0.31 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1ueq h LYS 87 Cb -0.04 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.20 1ueq h LYS 87 CO -0.06 0.79 0.26 -0.07 -2.00 0.00 0.00 179.45 178.38 1ueq h LEU 88 N 0.64 0.51 -1.30 7.07 3.38 -0.40 -0.99 115.31 124.22 1ueq h LEU 88 Ca 0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ueq h LEU 88 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ueq h LEU 88 CO 0.03 0.40 -0.28 -0.26 0.09 0.00 0.00 178.44 178.42 1ueq h PHE 89 N 0.57 0.12 -0.00 1.13 0.04 -1.11 -3.05 116.94 114.64 1ueq h PHE 89 Ca 0.15 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1ueq h PHE 89 Cb -0.02 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1ueq h PHE 89 CO -0.04 0.38 -0.08 1.04 -0.60 0.00 0.00 178.31 179.02 1ueq n GLN 90 N -4.17 0.39 -0.16 1.51 6.02 -0.47 -3.23 117.38 117.27 1ueq n GLN 90 Ca -0.02 -0.08 0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1ueq n GLN 90 Cb 0.35 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.37 1ueq n GLN 90 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ueq n SER 91 N -1.24 2.07 -4.40 1.08 7.64 -0.65 -4.84 113.62 113.28 1ueq n SER 91 Ca 0.12 -1.89 -0.43 0.00 1.01 0.00 0.00 58.87 57.68 1ueq n SER 91 Cb 0.28 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.58 5.07 0.87 0.44 1.01 -1.20 -5.09 120.40 119.91 1ueq s VAL 92 Ca 0.30 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1ueq s VAL 92 Cb 0.16 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1ueq s VAL 92 CO 0.22 -0.43 1.22 -2.16 0.00 0.00 0.00 175.10 173.95 1ueq s PRO 93 N 1.62 1.48 -0.62 2.72 0.04 -1.26 -4.94 135.00 134.04 1ueq s PRO 93 Ca 0.04 -0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.79 1ueq s PRO 93 Cb -0.22 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ueq s PRO 93 CO 0.07 -1.91 1.79 0.42 0.04 0.00 0.00 177.00 177.42 1ueq s ILE 94 N -3.64 3.40 0.00 0.56 1.09 -1.26 -1.83 121.20 119.52 1ueq s ILE 94 Ca 0.66 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.44 1ueq s ILE 94 Cb -0.09 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.26 1ueq s ILE 94 CO 0.51 -1.01 0.00 0.61 -0.10 0.00 0.00 174.94 174.95 1ueq n GLY 95 N 5.66 4.00 3.89 6.18 0.00 -1.25 -5.06 105.19 118.62 1ueq n GLY 95 Ca 0.18 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 3.46 0.29 1.61 -1.52 -0.76 -4.52 119.66 118.22 1ueq s GLN 96 Ca 0.00 0.38 0.12 0.00 -1.95 0.00 0.00 55.36 53.91 1ueq s GLN 96 Cb 0.00 -2.24 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 1ueq s GLN 96 CO 0.00 -0.43 -0.19 -1.54 -0.25 0.00 0.00 175.29 172.89 1ueq s SER 97 N -4.17 3.62 0.04 5.90 1.04 -1.26 -0.37 113.70 118.50 1ueq s SER 97 Ca 0.51 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1ueq s SER 97 Cb -0.11 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 1ueq s SER 97 CO 0.48 0.01 -0.09 0.68 0.98 0.00 0.00 173.24 175.30 1ueq s VAL 98 N -2.52 0.70 0.50 5.02 -7.23 -1.21 -5.00 120.40 110.67 1ueq s VAL 98 Ca 0.30 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1ueq s VAL 98 Cb -0.04 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 1ueq s VAL 98 CO 0.15 -0.18 0.88 0.20 -0.31 0.00 0.00 175.10 175.84 1ueq s ASN 99 N -1.22 6.40 -0.16 4.85 -0.87 -1.26 -2.40 114.94 120.28 1ueq s ASN 99 Ca -0.04 1.24 -0.04 0.00 -1.57 0.00 0.00 52.86 52.44 1ueq s ASN 99 Cb -0.08 -2.38 0.08 0.00 -0.02 0.00 0.00 41.25 38.85 1ueq s ASN 99 CO 0.01 -0.61 0.25 -0.76 -2.57 0.00 0.00 177.10 173.42 1ueq s LEU 100 N -4.47 -0.26 -0.21 0.60 1.43 0.44 -0.12 118.68 116.08 1ueq s LEU 100 Ca 0.53 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.76 1ueq s LEU 100 Cb -0.10 0.62 -0.03 0.00 0.03 0.00 0.00 46.19 46.70 1ueq s LEU 100 CO 0.41 -0.27 0.47 -0.69 0.23 0.00 0.00 176.35 176.50 1ueq s VAL 101 N 2.40 5.14 0.24 -1.59 1.01 -1.05 -1.81 120.40 124.73 1ueq s VAL 101 Ca 0.04 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.95 1ueq s VAL 101 Cb -0.13 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ueq s VAL 101 CO -0.10 0.19 0.10 -0.76 0.00 0.00 0.00 175.10 174.53 1ueq s LEU 102 N 1.61 3.53 -0.12 3.92 1.43 -1.25 -1.75 118.68 126.06 1ueq s LEU 102 Ca 0.22 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1ueq s LEU 102 Cb -0.15 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1ueq s LEU 102 CO 0.09 -0.00 0.02 0.00 0.23 0.00 0.00 176.35 176.69 1ueq s ARG 104 N -0.42 3.81 0.00 0.00 3.52 0.04 -1.09 118.95 124.80 1ueq s ARG 104 Ca 0.08 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 1ueq s ARG 104 Cb -0.12 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1ueq s ARG 104 CO 0.02 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1ueq n GLY 105 N -1.86 1.04 3.46 8.12 0.00 -1.26 -4.25 105.19 110.44 1ueq n GLY 105 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.31 2.47 1.07 1.61 2.02 -1.26 -4.93 117.35 116.02 1ueq s TYR 106 Ca 0.00 -0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 1ueq s TYR 106 Cb 0.00 -1.31 0.22 0.00 -0.40 0.00 0.00 41.96 40.48 1ueq s TYR 106 CO 0.00 0.39 1.09 -1.25 -1.57 0.00 0.00 175.55 174.21 1ueq s PRO 107 N -2.18 -0.15 0.40 -1.71 0.04 -1.26 -4.67 135.00 125.46 1ueq s PRO 107 Ca 0.17 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.34 1ueq s PRO 107 Cb -0.10 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 1ueq s PRO 107 CO 0.09 -3.09 1.22 -0.51 0.04 0.00 0.00 177.00 174.75 1ueq s LEU 108 N -6.66 4.22 0.13 -3.56 1.43 -1.26 -4.93 118.68 108.05 1ueq s LEU 108 Ca 0.67 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 56.26 1ueq s LEU 108 Cb -0.17 -3.95 -0.12 0.00 0.03 0.00 0.00 46.19 41.98 1ueq s LEU 108 CO 0.58 -0.72 1.29 1.55 0.23 0.00 0.00 176.35 179.28 1ueq h PRO 109 N 2.72 0.18 -6.28 1.29 0.13 -1.95 -3.38 132.00 124.71 1ueq h PRO 109 Ca -0.49 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 63.83 1ueq h PRO 109 Cb 1.24 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1ueq h PRO 109 CO 0.63 1.04 1.25 0.12 -0.23 0.00 0.00 178.00 180.81 1ueq s PHE 110 N -2.96 1.87 -0.34 1.56 5.36 -1.26 -4.98 117.98 117.23 1ueq s PHE 110 Ca -0.02 0.64 -0.27 0.00 -0.96 0.00 0.00 56.93 56.32 1ueq s PHE 110 Cb 0.09 -4.15 0.01 0.00 -0.34 0.00 0.00 43.02 38.64 1ueq s PHE 110 CO 0.84 -2.77 1.00 -0.51 -1.46 0.00 0.00 175.22 172.32 1ueq s ASP 111 N 5.96 6.81 0.26 6.13 1.01 -1.26 -4.93 116.67 130.65 1ueq s ASP 111 Ca 0.76 0.84 0.14 0.00 0.71 0.00 0.00 52.55 55.01 1ueq s ASP 111 Cb -0.20 -2.50 0.03 0.00 1.01 0.00 0.00 42.92 41.25 1ueq s ASP 111 CO 0.32 -0.86 1.41 1.55 0.21 0.00 0.00 175.17 177.81 1ueq h PRO 112 N 8.25 0.00 -0.16 8.23 0.13 -1.94 -3.37 132.00 143.14 1ueq h PRO 112 Ca -0.22 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1ueq h PRO 112 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ueq h PRO 112 CO 1.00 0.55 -0.60 1.49 -0.23 0.00 0.00 178.00 180.22 1ueq h GLU 113 N 0.00 0.53 -0.95 0.86 4.81 -2.02 -3.39 114.58 114.42 1ueq h GLU 113 Ca -0.01 -0.36 -0.41 0.00 -0.13 0.00 0.00 59.36 58.46 1ueq h GLU 113 Cb 1.44 0.05 -0.41 0.00 0.63 0.00 0.00 28.75 30.46 1ueq h GLU 113 CO 0.07 0.97 -1.03 -3.47 -0.73 0.00 0.00 179.01 174.82 1ueq n ASP 114 N -3.93 2.65 0.05 1.04 2.03 -1.26 -5.00 116.55 112.12 1ueq n ASP 114 Ca -0.04 -2.91 0.12 0.00 0.52 0.00 0.00 54.79 52.49 1ueq n ASP 114 Cb 0.63 -0.48 0.48 0.00 -0.72 0.00 0.00 41.12 41.04 1ueq n ASP 114 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ueq n PRO 115 N -0.36 0.10 0.00 -0.67 -0.04 -1.26 -4.67 135.00 128.10 1ueq n PRO 115 Ca 0.20 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1ueq n PRO 115 Cb 0.80 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ueq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ueq n ALA 116 N -1.62 0.71 -2.43 0.55 0.00 -1.26 -5.08 120.51 111.38 1ueq n ALA 116 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1ueq n ALA 116 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.59 -3.85 -4.26 0.00 3.02 -1.26 -5.09 115.26 102.22 1ueq n ASN 117 Ca 0.00 -0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 54.06 1ueq n ASN 117 Cb 0.00 -2.83 -0.10 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.29 0.89 0.00 6.41 0.01 -1.26 -5.15 113.70 111.31 1ueq s SER 118 Ca 0.18 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1ueq s SER 118 Cb -0.02 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1ueq s SER 118 CO 0.37 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1ueq n GLY 119 N -0.35 4.34 0.14 3.44 0.00 -1.26 -5.01 105.19 106.49 1ueq n GLY 119 Ca -0.01 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.02 1ueq n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ueq h PRO 120 N 0.00 0.00 0.00 1.61 0.13 -2.09 -3.50 132.00 128.15 1ueq h PRO 120 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ueq h PRO 120 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ueq h PRO 120 CO 0.00 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.22 1ueq n SER 121 N -2.48 -2.41 0.00 1.44 2.88 -1.26 -4.96 113.62 106.84 1ueq n SER 121 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1ueq n SER 121 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1ueq n SER 121 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ueq n SER 122 N -3.49 0.00 0.00 -3.46 7.64 -1.26 -5.33 113.62 107.72 1ueq n SER 122 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ueq n SER 122 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64