#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx n SER 2 N 0.00 -7.38 -3.35 1.61 7.64 -1.26 -5.04 113.62 105.85 1ujx n SER 2 Ca 0.00 0.53 0.02 0.00 1.01 0.00 0.00 58.87 60.43 1ujx n SER 2 Cb 0.00 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 58.81 1ujx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujx s SER 3 N -2.11 -1.29 0.00 6.43 0.01 -1.26 -5.13 113.70 110.36 1ujx s SER 3 Ca 0.22 1.15 -0.40 0.00 1.31 0.00 0.00 55.95 58.23 1ujx s SER 3 Cb -0.05 2.22 -0.20 0.00 0.21 0.00 0.00 66.02 68.20 1ujx s SER 3 CO 0.75 -0.24 1.08 0.61 0.41 0.00 0.00 173.24 175.84 1ujx n GLY 4 N 5.44 -0.26 2.19 3.44 0.00 -1.26 -4.72 105.19 110.01 1ujx n GLY 4 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 5 N 1.54 -3.35 -4.83 1.61 2.88 -1.26 -5.13 113.62 105.07 1ujx n SER 5 Ca 0.20 0.74 -0.33 0.00 -1.33 0.00 0.00 58.87 58.16 1ujx n SER 5 Cb 0.08 3.20 -0.06 0.00 -0.75 0.00 0.00 64.21 66.69 1ujx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujx s SER 6 N -2.22 6.81 0.00 -3.46 0.01 -1.26 -5.04 113.70 108.54 1ujx s SER 6 Ca 0.00 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1ujx s SER 6 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1ujx s SER 6 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1ujx n GLY 7 N -0.90 -1.74 2.14 3.44 0.00 -1.26 -5.00 105.19 101.87 1ujx n GLY 7 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ujx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujx n MET 8 N 0.00 -4.91 -2.88 1.61 0.00 -1.26 -5.03 117.12 104.65 1ujx n MET 8 Ca 0.00 3.58 -0.19 0.00 0.00 0.00 0.00 57.70 61.08 1ujx n MET 8 Cb 0.00 -4.23 0.02 0.00 0.00 0.00 0.00 33.22 29.01 1ujx n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1ujx s SER 9 N -0.53 5.53 -0.43 7.83 0.01 -1.26 -4.98 113.70 119.86 1ujx s SER 9 Ca 0.00 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 1ujx s SER 9 Cb 0.00 -0.84 -0.06 0.00 0.21 0.00 0.00 66.02 65.34 1ujx s SER 9 CO 0.00 -0.90 3.05 0.00 0.41 0.00 0.00 173.24 175.80 1ujx n GLN 10 N -2.06 2.52 -1.54 12.44 10.64 -1.26 -4.96 117.38 133.16 1ujx n GLN 10 Ca 0.07 -1.97 -0.53 0.00 -1.83 0.00 0.00 57.00 52.74 1ujx n GLN 10 Cb 0.59 -2.17 -0.06 0.00 -0.86 0.00 0.00 30.24 27.74 1ujx n GLN 10 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ujx n LEU 11 N 1.65 0.84 0.00 2.61 4.32 -1.26 -4.91 117.00 120.25 1ujx n LEU 11 Ca 0.50 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.63 1ujx n LEU 11 Cb 0.64 -1.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1ujx n LEU 11 CO 0.31 -1.57 0.00 0.61 -1.22 0.00 0.00 177.39 175.53 1ujx n GLY 12 N 2.01 0.49 0.12 -0.72 0.00 -1.26 -5.10 105.19 100.72 1ujx n GLY 12 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujx n SER 13 N -0.16 0.00 -1.16 1.61 3.41 -1.26 -5.16 113.62 110.90 1ujx n SER 13 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1ujx n SER 13 Cb 0.00 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1ujx n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ujx n ARG 14 N -1.15 -2.19 0.00 4.33 1.74 -1.26 -5.00 116.66 113.13 1ujx n ARG 14 Ca 0.00 1.62 0.00 0.00 -0.77 0.00 0.00 57.85 58.70 1ujx n ARG 14 Cb 0.00 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 28.68 1ujx n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 15 N -3.57 1.73 3.27 -0.13 0.00 -1.26 -4.74 105.19 100.49 1ujx n GLY 15 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1ujx n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujx s ARG 16 N 1.61 0.50 0.35 1.61 3.52 -1.12 -4.94 118.95 120.47 1ujx s ARG 16 Ca 0.00 0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.80 1ujx s ARG 16 Cb 0.00 0.24 -0.10 0.00 -1.56 0.00 0.00 34.95 33.53 1ujx s ARG 16 CO 0.00 -0.08 0.84 -0.51 -0.81 0.00 0.00 175.30 174.74 1ujx s LEU 17 N -0.11 4.09 0.05 -0.88 1.43 -1.26 0.37 118.68 122.36 1ujx s LEU 17 Ca -0.03 1.53 -0.27 0.00 -1.03 0.00 0.00 54.13 54.32 1ujx s LEU 17 Cb -0.03 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.10 1ujx s LEU 17 CO 0.01 -0.21 0.91 -1.66 0.23 0.00 0.00 176.35 175.63 1ujx s TRP 18 N -1.95 -0.28 -0.11 0.29 1.48 0.23 -1.77 118.94 116.85 1ujx s TRP 18 Ca 0.55 0.09 -0.01 0.00 -1.06 0.00 0.00 56.10 55.66 1ujx s TRP 18 Cb -0.12 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 32.73 1ujx s TRP 18 CO 0.17 -0.64 -0.04 -0.51 -4.06 0.00 0.00 176.95 171.87 1ujx s LEU 19 N -2.64 3.28 -0.69 -4.66 1.43 -0.79 0.15 118.68 114.76 1ujx s LEU 19 Ca 0.07 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1ujx s LEU 19 Cb -0.01 -1.75 0.15 0.00 0.03 0.00 0.00 46.19 44.61 1ujx s LEU 19 CO -0.05 0.29 0.70 -1.58 0.23 0.00 0.00 176.35 175.93 1ujx s GLN 20 N -0.36 3.27 0.53 1.70 0.74 0.50 -3.64 119.66 122.39 1ujx s GLN 20 Ca 0.06 -1.88 -0.21 0.00 0.05 0.00 0.00 55.36 53.38 1ujx s GLN 20 Cb -0.12 -4.39 -0.06 0.00 1.10 0.00 0.00 33.01 29.54 1ujx s GLN 20 CO 0.02 -1.41 1.18 -1.54 -0.55 0.00 0.00 175.29 172.99 1ujx s SER 21 N 3.12 5.71 0.66 6.67 1.04 -1.26 -3.04 113.70 126.59 1ujx s SER 21 Ca 0.13 2.32 -0.12 0.00 0.48 0.00 0.00 55.95 58.75 1ujx s SER 21 Cb -0.20 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.32 1ujx s SER 21 CO -0.01 -1.23 1.06 -2.16 0.98 0.00 0.00 173.24 171.87 1ujx s PRO 22 N -3.07 3.08 1.00 4.02 0.04 -1.26 -4.92 135.00 133.89 1ujx s PRO 22 Ca 0.71 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1ujx s PRO 22 Cb -0.28 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.11 1ujx s PRO 22 CO 0.33 -0.99 -0.86 -2.37 0.04 0.00 0.00 177.00 173.15 1ujx n THR 23 N -2.76 0.00 -3.66 1.26 5.66 -1.26 -2.18 114.28 111.34 1ujx n THR 23 Ca 0.08 -0.39 -0.28 0.00 -3.05 0.00 0.00 64.05 60.41 1ujx n THR 23 Cb 0.53 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ujx n GLY 24 N 3.36 -0.48 0.04 1.09 0.00 -1.26 -4.93 105.19 103.01 1ujx n GLY 24 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ujx n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujx n GLY 25 N -1.37 4.07 3.78 -0.02 0.00 -0.93 -5.15 105.19 105.57 1ujx n GLY 25 Ca 0.02 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1ujx n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 26 N -2.02 0.48 0.99 1.61 0.04 -1.26 -5.01 135.00 129.82 1ujx s PRO 26 Ca 0.00 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.93 1ujx s PRO 26 Cb 0.00 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.94 1ujx s PRO 26 CO 0.00 -2.60 1.18 -1.25 0.04 0.00 0.00 177.00 174.37 1ujx s PRO 27 N -5.46 0.46 -0.39 0.56 0.04 -1.26 -4.62 135.00 124.34 1ujx s PRO 27 Ca 0.68 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1ujx s PRO 27 Cb -0.11 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 27 CO 0.54 -2.61 1.40 -1.25 0.04 0.00 0.00 177.00 175.12 1ujx s PRO 28 N -5.46 3.63 0.27 0.56 0.04 -1.26 -4.72 135.00 128.06 1ujx s PRO 28 Ca 0.68 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.50 1ujx s PRO 28 Cb -0.11 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1ujx s PRO 28 CO 0.54 -1.49 0.81 0.42 0.04 0.00 0.00 177.00 177.31 1ujx s ILE 29 N 5.26 4.45 -0.26 0.56 1.09 -1.24 -4.89 121.20 126.17 1ujx s ILE 29 Ca 0.61 1.46 -0.08 0.00 -1.10 0.00 0.00 60.65 61.54 1ujx s ILE 29 Cb -0.14 -3.89 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1ujx s ILE 29 CO 0.31 0.15 0.09 -0.36 -0.10 0.00 0.00 174.94 175.03 1ujx s PHE 30 N -1.60 3.11 0.63 3.97 0.40 -1.26 -1.89 117.98 121.34 1ujx s PHE 30 Ca 0.47 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.27 1ujx s PHE 30 Cb -0.17 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 1ujx s PHE 30 CO 0.21 -0.34 1.11 -0.51 0.70 0.00 0.00 175.22 176.39 1ujx s LEU 31 N 1.63 3.47 -0.06 -0.37 1.43 -0.73 -4.96 118.68 119.09 1ujx s LEU 31 Ca 0.06 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 1ujx s LEU 31 Cb -0.15 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 1ujx s LEU 31 CO 0.05 -1.52 1.22 -2.16 0.23 0.00 0.00 176.35 174.17 1ujx s PRO 32 N -3.91 4.33 0.15 1.29 0.04 -1.26 -4.65 135.00 130.99 1ujx s PRO 32 Ca 0.68 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.49 1ujx s PRO 32 Cb -0.21 -3.58 -0.10 0.00 0.04 0.00 0.00 34.50 30.65 1ujx s PRO 32 CO 0.38 -0.49 1.34 0.77 0.04 0.00 0.00 177.00 179.05 1ujx h SER 33 N 7.57 0.03 -0.91 6.66 0.02 -1.91 -3.17 113.55 121.83 1ujx h SER 33 Ca -0.34 -0.03 0.26 0.00 -0.84 0.00 0.00 61.79 60.85 1ujx h SER 33 Cb 1.16 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1ujx h SER 33 CO 0.89 0.94 0.90 0.44 -1.14 0.00 0.00 176.83 178.87 1ujx h ASP 34 N 0.01 0.00 0.00 3.07 3.32 -1.91 -3.43 116.42 117.47 1ujx h ASP 34 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ujx h ASP 34 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1ujx h ASP 34 CO 0.12 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1ujx n GLY 35 N -1.66 1.19 3.20 2.75 0.00 -1.20 -5.11 105.19 104.37 1ujx n GLY 35 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1ujx n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujx n GLN 36 N -0.29 -2.74 -4.61 1.61 6.02 -1.26 -4.77 117.38 111.33 1ujx n GLN 36 Ca 0.00 -0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 55.89 1ujx n GLN 36 Cb 0.00 -1.74 -0.17 0.00 1.02 0.00 0.00 30.24 29.36 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujx s ALA 37 N -2.17 1.93 -0.52 -1.58 0.00 -1.26 -4.16 121.76 114.00 1ujx s ALA 37 Ca 0.54 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1ujx s ALA 37 Cb -0.12 -0.88 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1ujx s ALA 37 CO 0.53 -0.02 0.62 -1.17 0.00 0.00 0.00 175.76 175.72 1ujx s LEU 38 N 0.85 5.14 -0.04 0.00 2.96 0.23 -4.85 118.68 122.97 1ujx s LEU 38 Ca -0.08 -1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 1ujx s LEU 38 Cb -0.15 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 1ujx s LEU 38 CO -0.01 -0.92 1.41 -0.69 -1.32 0.00 0.00 176.35 174.83 1ujx s VAL 39 N 2.54 3.82 0.44 1.68 1.01 -1.26 -2.32 120.40 126.30 1ujx s VAL 39 Ca 0.13 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.32 1ujx s VAL 39 Cb -0.21 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ujx s VAL 39 CO 0.10 -0.04 0.52 -0.76 0.00 0.00 0.00 175.10 174.92 1ujx s LEU 40 N 2.88 3.49 0.00 3.92 1.43 -0.99 -4.94 118.68 124.48 1ujx s LEU 40 Ca 0.63 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1ujx s LEU 40 Cb -0.30 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1ujx s LEU 40 CO 0.25 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1ujx n GLY 41 N -1.78 0.56 3.75 -3.19 0.00 -1.25 -2.23 105.19 101.05 1ujx n GLY 41 Ca 0.07 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1ujx n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujx n ARG 42 N 0.00 2.53 0.00 1.61 1.74 -1.25 -4.39 116.66 116.90 1ujx n ARG 42 Ca 0.00 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1ujx n ARG 42 Cb 0.00 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 1ujx n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 43 N 0.86 0.97 0.00 -0.13 0.00 -0.69 -4.64 105.19 101.56 1ujx n GLY 43 Ca 0.04 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1ujx n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 44 N -0.98 0.75 0.44 1.61 -0.04 -1.26 -1.70 135.00 133.82 1ujx n PRO 44 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1ujx n PRO 44 Cb 0.00 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -0.95 -2.62 1.53 4.07 -1.88 -3.32 115.31 112.14 1ujx h LEU 45 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1ujx h LEU 45 Cb 0.00 0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ujx h LEU 45 CO 0.00 -0.67 0.00 0.35 -1.08 0.00 0.00 178.44 177.04 1ujx n THR 46 N -5.07 0.81 -1.74 0.22 -2.24 -1.24 -4.84 114.28 100.18 1ujx n THR 46 Ca -0.14 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.58 1ujx n THR 46 Cb 0.44 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1ujx n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujx n GLN 47 N 0.11 -1.10 -2.91 -0.78 1.13 -0.69 -4.63 117.38 108.51 1ujx n GLN 47 Ca 0.06 0.92 -0.41 0.00 -1.94 0.00 0.00 57.00 55.63 1ujx n GLN 47 Cb 0.31 -5.13 -0.04 0.00 0.11 0.00 0.00 30.24 25.49 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ujx s VAL 48 N -2.63 4.96 -0.18 5.09 1.01 -1.09 -4.93 120.40 122.63 1ujx s VAL 48 Ca 0.00 1.68 0.15 0.00 0.00 0.00 0.00 61.98 63.81 1ujx s VAL 48 Cb 0.00 -4.15 0.44 0.00 0.00 0.00 0.00 36.38 32.67 1ujx s VAL 48 CO 0.00 0.19 1.19 0.35 0.00 0.00 0.00 175.10 176.83 1ujx n THR 49 N 3.95 1.63 -3.35 3.92 -2.24 -1.26 -1.70 114.28 115.22 1ujx n THR 49 Ca 0.02 -2.86 -0.38 0.00 -2.27 0.00 0.00 64.05 58.56 1ujx n THR 49 Cb 0.51 0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1ujx n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ujx s ASP 50 N -3.08 6.57 0.42 3.42 -1.08 -1.26 -4.95 116.67 116.71 1ujx s ASP 50 Ca 0.38 0.68 0.09 0.00 -0.52 0.00 0.00 52.55 53.18 1ujx s ASP 50 Cb 0.38 -2.26 0.93 0.00 -1.46 0.00 0.00 42.92 40.51 1ujx s ASP 50 CO -0.07 -0.03 2.05 0.03 0.52 0.00 0.00 175.17 177.67 1ujx h ARG 51 N 6.98 0.47 0.00 4.34 3.08 -2.05 0.23 114.38 127.42 1ujx h ARG 51 Ca -0.39 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ujx h ARG 51 Cb 1.17 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1ujx h ARG 51 CO 0.75 0.31 -0.01 0.87 -1.07 0.00 0.00 179.97 180.81 1ujx h LYS 52 N 0.48 0.00 -6.81 0.04 1.57 -2.03 -3.41 116.57 106.40 1ujx h LYS 52 Ca 0.17 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.47 1ujx h LYS 52 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ujx h LYS 52 CO -0.04 0.01 0.31 0.00 -0.57 0.00 0.00 179.45 179.16 1ujx s SER 54 N -1.55 3.55 0.38 0.00 0.01 -1.26 -4.63 113.70 110.19 1ujx s SER 54 Ca 0.48 -0.42 0.27 0.00 1.31 0.00 0.00 55.95 57.58 1ujx s SER 54 Cb -0.19 -1.31 1.29 0.00 0.21 0.00 0.00 66.02 66.02 1ujx s SER 54 CO 0.25 0.20 1.38 0.54 0.41 0.00 0.00 173.24 176.01 1ujx n ARG 55 N 3.26 -0.04 -2.83 12.44 1.74 -1.26 0.11 116.66 130.09 1ujx n ARG 55 Ca -0.18 1.12 -0.26 0.00 -0.77 0.00 0.00 57.85 57.76 1ujx n ARG 55 Cb 0.53 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.76 1ujx n ARG 55 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ujx n ASN 56 N -4.56 4.28 0.21 0.55 4.13 -1.25 -3.95 115.26 114.67 1ujx n ASN 56 Ca 0.35 -3.64 -0.15 0.00 1.68 0.00 0.00 54.58 52.82 1ujx n ASN 56 Cb 1.34 -0.54 -0.08 0.00 -1.54 0.00 0.00 39.78 38.96 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1ujx h GLN 57 N 2.88 -0.46 -4.31 3.52 5.75 0.13 -2.93 115.11 119.69 1ujx h GLN 57 Ca 0.17 0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.55 1ujx h GLN 57 Cb 0.65 0.10 -0.15 0.00 1.07 0.00 0.00 27.48 29.15 1ujx h GLN 57 CO 0.80 -0.29 -0.66 0.14 -2.65 0.00 0.00 178.83 176.17 1ujx s VAL 58 N -6.02 0.17 -0.32 2.39 -7.23 -1.25 -0.59 120.40 107.55 1ujx s VAL 58 Ca -0.15 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1ujx s VAL 58 Cb 0.04 -1.74 0.06 0.00 0.56 0.00 0.00 36.38 35.30 1ujx s VAL 58 CO 0.63 -0.76 0.04 -0.70 -0.31 0.00 0.00 175.10 174.00 1ujx s GLU 59 N -3.97 2.35 0.13 4.82 2.12 0.27 -2.34 118.70 122.07 1ujx s GLU 59 Ca 0.14 -1.36 -0.18 0.00 0.36 0.00 0.00 54.97 53.93 1ujx s GLU 59 Cb 0.08 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 1ujx s GLU 59 CO -0.05 -0.70 0.60 -0.51 -0.54 0.00 0.00 175.26 174.06 1ujx s LEU 60 N 1.24 4.44 -0.06 2.70 1.02 -0.98 -2.18 118.68 124.86 1ujx s LEU 60 Ca -0.02 1.26 -0.02 0.00 0.02 0.00 0.00 54.13 55.36 1ujx s LEU 60 Cb -0.20 -3.15 0.03 0.00 0.02 0.00 0.00 46.19 42.89 1ujx s LEU 60 CO -0.01 0.18 0.07 -0.63 0.02 0.00 0.00 176.35 175.97 1ujx s ILE 61 N -1.29 -0.11 0.02 -0.59 1.01 -0.92 0.77 121.20 120.09 1ujx s ILE 61 Ca 0.34 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 1ujx s ILE 61 Cb -0.18 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1ujx s ILE 61 CO 0.20 0.13 1.18 0.00 0.00 0.00 0.00 174.94 176.45 1ujx s ALA 62 N 2.17 3.40 -0.54 9.38 0.00 -1.26 -2.45 121.76 132.46 1ujx s ALA 62 Ca 0.05 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1ujx s ALA 62 Cb -0.12 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.68 1ujx s ALA 62 CO -0.04 -0.52 0.31 0.34 0.00 0.00 0.00 175.76 175.85 1ujx s ASP 63 N 1.20 4.26 0.00 0.00 2.15 0.10 -4.61 116.67 119.77 1ujx s ASP 63 Ca 0.57 -3.14 0.22 0.00 0.43 0.00 0.00 52.55 50.63 1ujx s ASP 63 Cb -0.27 -1.53 1.29 0.00 -0.30 0.00 0.00 42.92 42.11 1ujx s ASP 63 CO 0.27 -0.20 1.69 -0.81 -0.17 0.00 0.00 175.17 175.95 1ujx n PRO 64 N 2.92 0.75 0.08 4.34 -0.04 -1.26 -0.48 135.00 141.31 1ujx n PRO 64 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1ujx n PRO 64 Cb 0.33 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1ujx n PRO 64 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ujx h GLU 65 N 0.00 0.02 0.00 0.54 4.57 -1.91 -3.36 114.58 114.43 1ujx h GLU 65 Ca 0.00 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1ujx h GLU 65 Cb 0.00 0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 28.40 1ujx h GLU 65 CO 0.00 0.92 -0.66 0.43 -1.18 0.00 0.00 179.01 178.52 1ujx n SER 66 N -3.47 0.27 -3.92 1.04 7.64 -1.10 -4.99 113.62 109.10 1ujx n SER 66 Ca -0.01 -1.90 -0.31 0.00 1.01 0.00 0.00 58.87 57.66 1ujx n SER 66 Cb 0.86 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.91 1ujx n SER 66 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ujx n ARG 67 N 0.23 -3.14 -4.34 1.43 3.00 0.37 -4.92 116.66 109.28 1ujx n ARG 67 Ca -0.02 0.38 -0.28 0.00 -0.01 0.00 0.00 57.85 57.91 1ujx n ARG 67 Cb 0.88 -5.09 -0.06 0.00 0.00 0.00 0.00 32.46 28.19 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1ujx s THR 68 N -3.12 1.73 -0.15 0.55 -4.23 0.04 -3.72 115.64 106.74 1ujx s THR 68 Ca 0.63 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 1ujx s THR 68 Cb -0.34 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.03 1ujx s THR 68 CO 0.77 0.00 0.41 -0.69 -0.54 0.00 0.00 174.62 174.57 1ujx s VAL 69 N -2.75 0.00 -0.11 2.29 1.01 -0.43 0.02 120.40 120.43 1ujx s VAL 69 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1ujx s VAL 69 Cb 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1ujx s VAL 69 CO 0.15 -0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.34 1ujx s ALA 70 N 0.17 3.70 -0.23 5.51 0.00 -1.02 0.19 121.76 130.08 1ujx s ALA 70 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1ujx s ALA 70 Cb -0.03 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.32 1ujx s ALA 70 CO 0.01 0.61 -0.07 0.08 0.00 0.00 0.00 175.76 176.38 1ujx s VAL 71 N -0.99 1.62 -0.22 0.00 1.01 -0.20 -2.16 120.40 119.47 1ujx s VAL 71 Ca 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1ujx s VAL 71 Cb -0.12 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1ujx s VAL 71 CO 0.03 -0.01 -0.05 -0.75 0.00 0.00 0.00 175.10 174.33 1ujx s LYS 72 N 1.37 3.36 -0.24 2.72 2.20 -0.93 -0.27 119.74 127.96 1ujx s LYS 72 Ca -0.05 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 1ujx s LYS 72 Cb -0.18 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1ujx s LYS 72 CO -0.07 -0.19 1.12 -1.14 -0.36 0.00 0.00 175.35 174.71 1ujx s GLN 73 N 1.46 4.19 0.00 4.03 0.74 -0.97 0.95 119.66 130.06 1ujx s GLN 73 Ca 0.06 1.37 0.02 0.00 0.05 0.00 0.00 55.36 56.85 1ujx s GLN 73 Cb -0.14 -3.70 0.03 0.00 1.10 0.00 0.00 33.01 30.30 1ujx s GLN 73 CO -0.04 -0.74 0.73 1.28 -0.55 0.00 0.00 175.29 175.98 1ujx n LEU 74 N 6.59 1.53 0.00 3.68 4.77 0.24 -1.09 117.00 132.71 1ujx n LEU 74 Ca 0.13 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1ujx n LEU 74 Cb 0.46 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ujx n LEU 74 CO 0.55 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1ujx n GLY 75 N -0.01 1.51 1.18 -0.72 0.00 -0.44 -4.83 105.19 101.87 1ujx n GLY 75 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ujx n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 76 N 0.00 0.27 -2.01 1.61 3.14 -1.26 -4.82 118.33 115.26 1ujx n VAL 76 Ca 0.00 0.09 -0.41 0.00 -2.96 0.00 0.00 64.34 61.06 1ujx n VAL 76 Cb 0.00 -1.35 -0.02 0.00 -1.06 0.00 0.00 33.84 31.41 1ujx n VAL 76 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1ujx s ASN 77 N -5.22 6.63 0.04 6.55 0.01 -1.26 -4.66 114.94 117.03 1ujx s ASN 77 Ca 0.00 2.80 -0.30 0.00 -0.71 0.00 0.00 52.86 54.64 1ujx s ASN 77 Cb 0.00 -2.65 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 1ujx s ASN 77 CO 0.00 -0.66 1.18 -2.16 -1.51 0.00 0.00 177.10 173.95 1ujx s PRO 78 N -1.72 4.43 0.31 -0.60 0.04 -1.26 -4.89 135.00 131.32 1ujx s PRO 78 Ca 0.51 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1ujx s PRO 78 Cb -0.42 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 1ujx s PRO 78 CO 0.55 -0.26 0.50 -1.12 0.04 0.00 0.00 177.00 176.71 1ujx s SER 79 N 1.12 6.31 -0.25 6.66 0.01 -1.26 -4.53 113.70 121.76 1ujx s SER 79 Ca 0.58 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1ujx s SER 79 Cb -0.28 -2.01 0.04 0.00 0.21 0.00 0.00 66.02 63.98 1ujx s SER 79 CO 0.28 -0.23 -0.09 -0.89 0.41 0.00 0.00 173.24 172.72 1ujx s THR 80 N -2.20 2.54 -1.14 1.44 2.01 -1.23 0.19 115.64 117.26 1ujx s THR 80 Ca 0.39 -1.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 1ujx s THR 80 Cb -0.10 -2.34 0.22 0.00 0.01 0.00 0.00 72.50 70.29 1ujx s THR 80 CO 0.34 0.14 1.25 -0.69 -0.69 0.00 0.00 174.62 174.97 1ujx s VAL 81 N 1.24 5.47 0.00 3.82 1.01 -0.14 -1.47 120.40 130.34 1ujx s VAL 81 Ca -0.03 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.03 1ujx s VAL 81 Cb -0.17 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1ujx s VAL 81 CO -0.06 -1.40 0.00 0.61 0.00 0.00 0.00 175.10 174.25 1ujx n GLY 82 N 3.56 0.78 0.22 4.51 0.00 -0.47 -3.87 105.19 109.91 1ujx n GLY 82 Ca 0.29 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1ujx n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 83 N 0.00 0.52 -4.91 1.61 3.14 -1.26 -4.79 118.33 112.64 1ujx n VAL 83 Ca 0.00 -0.60 -0.26 0.00 -2.96 0.00 0.00 64.34 60.52 1ujx n VAL 83 Cb 0.00 0.47 -0.16 0.00 -1.06 0.00 0.00 33.84 33.09 1ujx n VAL 83 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ujx s GLN 84 N -0.73 1.73 0.33 1.45 0.74 -1.25 -5.13 119.66 116.80 1ujx s GLN 84 Ca 0.07 -0.67 -0.21 0.00 0.05 0.00 0.00 55.36 54.60 1ujx s GLN 84 Cb 0.06 -1.57 -0.10 0.00 1.10 0.00 0.00 33.01 32.50 1ujx s GLN 84 CO 0.01 0.34 0.85 -2.00 -0.55 0.00 0.00 175.29 173.93 1ujx s GLU 85 N -0.22 4.28 0.17 1.67 2.12 -1.26 -0.97 118.70 124.49 1ujx s GLU 85 Ca 0.02 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.39 1ujx s GLU 85 Cb -0.10 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.76 1ujx s GLU 85 CO 0.01 0.19 0.16 1.28 -0.54 0.00 0.00 175.26 176.36 1ujx n LEU 86 N 0.05 0.00 -4.17 2.70 4.77 0.50 -4.89 117.00 115.95 1ujx n LEU 86 Ca 0.03 -0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 1ujx n LEU 86 Cb 0.52 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1ujx n LEU 86 CO 0.41 -0.43 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.36 1ujx s LYS 87 N -2.72 1.33 -0.35 3.23 3.01 -1.26 -4.40 119.74 118.59 1ujx s LYS 87 Ca 0.12 -1.61 -0.29 0.00 -1.01 0.00 0.00 55.97 53.18 1ujx s LYS 87 Cb -0.01 0.31 0.00 0.00 -1.01 0.00 0.00 37.83 37.13 1ujx s LYS 87 CO 0.08 -0.47 1.37 -1.25 0.51 0.00 0.00 175.35 175.59 1ujx s PRO 88 N -4.03 3.74 0.00 -1.68 0.04 -1.26 -2.21 135.00 129.60 1ujx s PRO 88 Ca 0.36 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ujx s PRO 88 Cb 0.05 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1ujx s PRO 88 CO 0.13 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1ujx n GLY 89 N 4.71 0.61 3.61 0.56 0.00 -0.25 -5.05 105.19 109.38 1ujx n GLY 89 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1ujx n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujx n LEU 90 N 0.00 0.00 -3.64 0.99 7.94 -0.94 -4.86 117.00 116.50 1ujx n LEU 90 Ca 0.00 -1.49 -0.10 0.00 -1.11 0.00 0.00 56.01 53.31 1ujx n LEU 90 Cb 0.00 -0.88 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1ujx n LEU 90 CO 0.00 -1.30 0.36 -0.44 -1.11 0.00 0.00 177.39 174.90 1ujx s SER 91 N -5.39 -0.83 0.00 1.96 0.01 -1.26 -2.29 113.70 105.89 1ujx s SER 91 Ca 0.69 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1ujx s SER 91 Cb -0.02 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.59 1ujx s SER 91 CO 0.48 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1ujx n GLY 92 N 3.61 4.58 3.10 3.44 0.00 0.63 -4.94 105.19 115.61 1ujx n GLY 92 Ca -0.17 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 1ujx n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 93 N -0.56 1.23 -0.09 1.61 1.04 -1.26 -1.03 113.70 114.64 1ujx s SER 93 Ca 0.00 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1ujx s SER 93 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1ujx s SER 93 CO 0.00 -0.10 -0.20 -0.76 0.98 0.00 0.00 173.24 173.16 1ujx s LEU 94 N -1.44 1.94 0.19 2.42 1.02 0.49 -4.91 118.68 118.39 1ujx s LEU 94 Ca -0.05 -0.48 -0.00 0.00 0.02 0.00 0.00 54.13 53.63 1ujx s LEU 94 Cb -0.09 -1.22 -0.04 0.00 0.02 0.00 0.00 46.19 44.86 1ujx s LEU 94 CO 0.01 0.12 0.37 -0.44 0.02 0.00 0.00 176.35 176.42 1ujx s SER 95 N 0.46 6.38 -0.66 2.29 0.01 -1.26 -1.32 113.70 119.59 1ujx s SER 95 Ca -0.17 0.35 -0.28 0.00 1.31 0.00 0.00 55.95 57.16 1ujx s SER 95 Cb -0.17 -1.99 -0.12 0.00 0.21 0.00 0.00 66.02 63.94 1ujx s SER 95 CO 0.07 -0.02 2.51 0.18 0.41 0.00 0.00 173.24 176.39 1ujx n LEU 96 N -0.61 1.60 0.00 2.44 4.77 -1.24 0.12 117.00 124.07 1ujx n LEU 96 Ca -0.05 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1ujx n LEU 96 Cb 0.54 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1ujx n LEU 96 CO 0.49 -1.24 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 1ujx n GLY 97 N 6.20 1.08 3.73 -0.72 0.00 0.64 -4.99 105.19 111.14 1ujx n GLY 97 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 1ujx n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujx s ASP 98 N -0.97 4.59 0.42 1.61 1.01 0.33 -4.51 116.67 119.15 1ujx s ASP 98 Ca 0.00 2.57 0.04 0.00 0.71 0.00 0.00 52.55 55.87 1ujx s ASP 98 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1ujx s ASP 98 CO 0.00 -2.01 0.61 -0.69 0.21 0.00 0.00 175.17 173.28 1ujx s VAL 99 N -1.49 3.69 -0.39 -1.27 1.01 -1.26 -2.43 120.40 118.27 1ujx s VAL 99 Ca 0.81 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1ujx s VAL 99 Cb -0.36 -3.32 0.16 0.00 0.00 0.00 0.00 36.38 32.86 1ujx s VAL 99 CO 0.40 -0.18 0.35 -0.22 0.00 0.00 0.00 175.10 175.45 1ujx s LEU 100 N -4.43 0.46 -0.53 3.92 2.96 -0.45 -1.37 118.68 119.23 1ujx s LEU 100 Ca 0.49 -2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 52.01 1ujx s LEU 100 Cb -0.10 0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.71 1ujx s LEU 100 CO 0.35 -0.23 2.20 -0.31 -1.32 0.00 0.00 176.35 177.04 1ujx s TYR 101 N 0.95 1.29 0.14 5.38 2.02 -0.54 -3.18 117.35 123.41 1ujx s TYR 101 Ca 0.22 1.28 -0.21 0.00 -0.37 0.00 0.00 57.07 57.98 1ujx s TYR 101 Cb -0.12 -3.77 0.01 0.00 -0.40 0.00 0.00 41.96 37.68 1ujx s TYR 101 CO -0.06 -2.45 1.21 -0.11 -1.57 0.00 0.00 175.55 172.56 1ujx n LEU 102 N 14.73 -0.74 -3.79 -1.29 0.00 -0.64 -3.50 117.00 121.77 1ujx n LEU 102 Ca 0.31 1.39 -0.04 0.00 0.00 0.00 0.00 56.01 57.66 1ujx n LEU 102 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 43.42 43.74 1ujx n LEU 102 CO 0.71 -1.16 0.71 0.54 0.00 0.00 0.00 177.39 178.19 1ujx s VAL 103 N -5.49 0.00 -1.74 1.96 0.11 -1.23 -4.70 120.40 109.31 1ujx s VAL 103 Ca -0.10 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.10 1ujx s VAL 103 Cb 0.11 -2.20 0.15 0.00 -1.53 0.00 0.00 36.38 32.91 1ujx s VAL 103 CO 0.50 0.00 0.49 -3.20 -3.33 0.00 0.00 175.10 169.56 1ujx n ASN 104 N -0.65 -1.38 -1.96 3.54 2.85 -1.26 0.16 115.26 116.56 1ujx n ASN 104 Ca -0.05 -1.19 -0.01 0.00 -0.11 0.00 0.00 54.58 53.21 1ujx n ASN 104 Cb 0.60 -1.93 -0.00 0.00 1.24 0.00 0.00 39.78 39.69 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujx n GLY 105 N -1.54 -0.29 0.37 8.20 0.00 -1.26 -4.82 105.19 105.84 1ujx n GLY 105 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1ujx n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujx n LEU 106 N -1.99 0.00 -4.04 0.99 4.77 0.42 -4.86 117.00 112.30 1ujx n LEU 106 Ca -0.01 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 1ujx n LEU 106 Cb 0.33 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1ujx n LEU 106 CO 0.01 -0.05 -0.16 -1.22 -1.33 0.00 0.00 177.39 174.64 1ujx n TYR 107 N -0.12 -1.30 -1.53 -1.77 4.01 -1.26 -2.54 117.16 112.65 1ujx n TYR 107 Ca -0.02 0.09 -0.29 0.00 -0.16 0.00 0.00 57.90 57.52 1ujx n TYR 107 Cb 0.07 -2.53 0.16 0.00 -0.31 0.00 0.00 39.34 36.72 1ujx n TYR 107 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujx s PRO 108 N -7.13 0.72 -0.19 -0.72 0.04 -1.26 -1.63 135.00 124.83 1ujx s PRO 108 Ca 0.42 0.13 -0.13 0.00 0.04 0.00 0.00 61.00 61.46 1ujx s PRO 108 Cb -0.24 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1ujx s PRO 108 CO 0.90 -2.45 0.48 -0.51 0.04 0.00 0.00 177.00 175.46 1ujx s LEU 109 N -6.14 -0.14 -0.16 -3.56 1.02 -1.19 -4.72 118.68 103.79 1ujx s LEU 109 Ca 0.66 1.02 -0.13 0.00 0.02 0.00 0.00 54.13 55.70 1ujx s LEU 109 Cb -0.12 1.64 -0.05 0.00 0.02 0.00 0.00 46.19 47.68 1ujx s LEU 109 CO 0.54 -0.19 0.28 -0.89 0.02 0.00 0.00 176.35 176.10 1ujx s THR 110 N 0.99 5.31 -0.23 5.49 2.01 -1.17 -1.34 115.64 126.70 1ujx s THR 110 Ca -0.06 0.51 -0.22 0.00 0.31 0.00 0.00 61.69 62.23 1ujx s THR 110 Cb -0.06 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1ujx s THR 110 CO -0.09 0.40 0.72 -0.22 -0.69 0.00 0.00 174.62 174.75 1ujx s LEU 111 N 0.38 4.10 0.24 4.42 2.96 -1.02 0.19 118.68 129.95 1ujx s LEU 111 Ca 0.16 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 55.02 1ujx s LEU 111 Cb -0.13 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 1ujx s LEU 111 CO 0.04 -0.40 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.50 1ujx s ARG 112 N 2.43 1.38 -0.03 1.98 1.81 0.12 -0.26 118.95 126.39 1ujx s ARG 112 Ca 0.31 -1.69 0.01 0.00 -1.72 0.00 0.00 55.73 52.65 1ujx s ARG 112 Cb -0.16 -0.83 0.01 0.00 -0.45 0.00 0.00 34.95 33.53 1ujx s ARG 112 CO 0.09 -0.02 -0.04 -0.46 -0.68 0.00 0.00 175.30 174.19 1ujx s TRP 113 N -3.25 0.58 0.13 -0.53 -0.11 -1.26 -0.60 118.94 113.90 1ujx s TRP 113 Ca 0.27 -0.12 -0.30 0.00 1.22 0.00 0.00 56.10 57.17 1ujx s TRP 113 Cb 0.04 -0.49 -0.06 0.00 -1.50 0.00 0.00 33.47 31.46 1ujx s TRP 113 CO 0.09 -0.11 1.06 0.45 -4.62 0.00 0.00 176.95 173.82 1ujx s SER 114 N 0.51 7.33 0.00 5.86 0.15 0.16 -4.89 113.70 122.82 1ujx s SER 114 Ca -0.06 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1ujx s SER 114 Cb -0.10 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1ujx s SER 114 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1ujx n GLY 115 N 2.30 2.43 3.41 9.45 0.00 -1.26 -2.81 105.19 118.71 1ujx n GLY 115 Ca 0.03 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1ujx n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 116 N 0.00 2.35 -4.32 1.61 -0.04 -1.26 -4.89 135.00 128.45 1ujx n PRO 116 Ca 0.00 -2.71 -0.17 0.00 -0.04 0.00 0.00 63.50 60.58 1ujx n PRO 116 Cb 0.00 -3.48 -0.10 0.00 -0.04 0.00 0.00 33.50 29.88 1ujx n PRO 116 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ujx s SER 117 N 5.02 2.40 0.39 3.54 0.01 -1.26 -5.08 113.70 118.72 1ujx s SER 117 Ca 0.59 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1ujx s SER 117 Cb 0.05 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1ujx s SER 117 CO 0.09 -0.20 0.00 -1.20 0.41 0.00 0.00 173.24 172.33 1ujx n SER 118 N -0.34 -7.19 0.00 2.44 7.64 -1.26 -5.23 113.62 109.68 1ujx n SER 118 Ca -0.08 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1ujx n SER 118 Cb 0.60 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64