#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 -2.52 -4.94 1.61 7.64 -1.26 -5.13 113.62 109.02 1ujx n SER 2 Ca 0.00 0.69 -0.25 0.00 1.01 0.00 0.00 58.87 60.33 1ujx n SER 2 Cb 0.00 2.45 -0.01 0.00 -1.01 0.00 0.00 64.21 65.63 1ujx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujx s SER 3 N -3.12 6.31 0.42 6.43 0.15 -1.26 -5.11 113.70 117.52 1ujx s SER 3 Ca 0.00 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.21 1ujx s SER 3 Cb 0.00 -2.05 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1ujx s SER 3 CO 0.00 -0.30 0.02 -0.83 1.20 0.00 0.00 173.24 173.33 1ujx s GLY 4 N -3.94 2.56 0.26 9.45 0.00 -1.26 -5.15 107.32 109.24 1ujx s GLY 4 Ca 0.41 -2.06 0.06 0.00 0.00 0.00 0.00 44.72 43.13 1ujx s GLY 4 CO 0.36 -2.10 0.29 -0.56 0.00 0.00 0.00 173.10 171.08 1ujx s SER 5 N -3.74 5.80 -0.29 1.64 0.01 -1.26 -5.01 113.70 110.84 1ujx s SER 5 Ca 0.32 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1ujx s SER 5 Cb 0.09 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.75 1ujx s SER 5 CO 0.16 -0.12 2.24 -0.24 0.41 0.00 0.00 173.24 175.69 1ujx n SER 6 N -1.32 2.79 0.00 2.44 2.88 -1.26 -3.75 113.62 115.40 1ujx n SER 6 Ca -0.07 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ujx n SER 6 Cb 0.58 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 7 N 6.06 0.12 3.71 0.46 0.00 -1.26 -5.10 105.19 109.17 1ujx n GLY 7 Ca 0.35 -0.00 -0.67 0.00 0.00 0.00 0.00 46.02 45.69 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ujx n MET 8 N 0.00 0.00 -3.34 1.61 0.00 -1.25 -4.89 117.12 109.26 1ujx n MET 8 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1ujx n MET 8 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 33.22 31.67 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ujx s SER 9 N 3.11 6.99 -0.30 6.12 0.15 -1.26 -4.85 113.70 123.66 1ujx s SER 9 Ca 1.05 1.18 0.01 0.00 0.70 0.00 0.00 55.95 58.89 1ujx s SER 9 Cb -1.49 -2.33 0.19 0.00 -1.71 0.00 0.00 66.02 60.68 1ujx s SER 9 CO 0.81 0.29 0.59 -1.58 1.20 0.00 0.00 173.24 174.55 1ujx s GLN 10 N -1.10 0.56 0.50 5.44 2.00 -1.26 -5.11 119.66 120.69 1ujx s GLN 10 Ca 0.27 0.86 0.00 0.00 -2.00 0.00 0.00 55.36 54.50 1ujx s GLN 10 Cb -0.19 0.44 0.00 0.00 0.80 0.00 0.00 33.01 34.06 1ujx s GLN 10 CO 0.17 -0.74 0.00 1.28 -0.50 0.00 0.00 175.29 175.50 1ujx n LEU 11 N 5.42 -2.16 -3.63 3.68 4.77 -1.26 -4.59 117.00 119.24 1ujx n LEU 11 Ca 0.01 2.90 -0.41 0.00 -0.03 0.00 0.00 56.01 58.48 1ujx n LEU 11 Cb 0.52 -2.80 -0.00 0.00 -2.33 0.00 0.00 43.42 38.80 1ujx n LEU 11 CO 0.01 0.37 2.35 0.61 -1.33 0.00 0.00 177.39 179.40 1ujx n GLY 12 N -0.97 4.90 3.45 -0.72 0.00 -1.26 -4.98 105.19 105.61 1ujx n GLY 12 Ca 0.00 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 13 N 0.91 0.50 0.35 1.61 1.04 -1.26 -4.73 113.70 112.12 1ujx s SER 13 Ca 0.49 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1ujx s SER 13 Cb 0.15 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1ujx s SER 13 CO -0.05 -4.48 0.00 0.54 0.98 0.00 0.00 173.24 170.23 1ujx n ARG 14 N -5.10 -2.78 -0.10 4.02 1.74 -1.26 -5.06 116.66 108.13 1ujx n ARG 14 Ca 0.03 1.90 0.00 0.00 -0.77 0.00 0.00 57.85 59.01 1ujx n ARG 14 Cb 0.55 -3.38 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 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 -4.04 1.88 2.98 -0.13 0.00 -1.26 -4.81 105.19 99.82 1ujx n GLY 15 Ca -0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 0.80 0.13 0.48 1.61 3.52 -1.20 -4.93 118.95 119.36 1ujx s ARG 16 Ca 0.00 0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.67 1ujx s ARG 16 Cb 0.00 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.36 1ujx s ARG 16 CO 0.00 -0.04 0.89 -0.51 -0.81 0.00 0.00 175.30 174.83 1ujx s LEU 17 N 0.22 3.66 0.18 -0.88 1.43 -1.26 0.04 118.68 122.07 1ujx s LEU 17 Ca -0.01 1.32 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 1ujx s LEU 17 Cb -0.02 -4.25 0.07 0.00 0.03 0.00 0.00 46.19 42.01 1ujx s LEU 17 CO -0.01 -0.55 0.99 -1.66 0.23 0.00 0.00 176.35 175.35 1ujx s TRP 18 N -2.60 -0.02 0.01 0.29 1.48 0.34 -3.02 118.94 115.41 1ujx s TRP 18 Ca 0.54 -0.35 0.05 0.00 -1.06 0.00 0.00 56.10 55.29 1ujx s TRP 18 Cb -0.10 0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 32.86 1ujx s TRP 18 CO 0.35 -0.92 -0.14 -0.51 -4.06 0.00 0.00 176.95 171.67 1ujx s LEU 19 N -3.15 2.79 -0.38 -4.66 1.43 -1.05 0.05 118.68 113.71 1ujx s LEU 19 Ca 0.17 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1ujx s LEU 19 Cb -0.02 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1ujx s LEU 19 CO 0.04 0.28 0.14 -1.58 0.23 0.00 0.00 176.35 175.46 1ujx s GLN 20 N -1.30 1.89 0.49 1.70 0.74 0.03 -3.72 119.66 119.50 1ujx s GLN 20 Ca 0.15 -1.78 -0.21 0.00 0.05 0.00 0.00 55.36 53.57 1ujx s GLN 20 Cb -0.11 -3.43 -0.07 0.00 1.10 0.00 0.00 33.01 30.51 1ujx s GLN 20 CO 0.05 -0.98 1.14 -1.54 -0.55 0.00 0.00 175.29 173.40 1ujx s SER 21 N 1.49 6.01 0.93 6.67 1.04 -1.26 -3.79 113.70 124.79 1ujx s SER 21 Ca 0.08 2.22 -0.13 0.00 0.48 0.00 0.00 55.95 58.59 1ujx s SER 21 Cb -0.21 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.47 1ujx s SER 21 CO -0.05 -1.02 1.15 -2.16 0.98 0.00 0.00 173.24 172.14 1ujx s PRO 22 N -2.97 1.00 0.72 4.02 0.04 -1.26 -4.76 135.00 131.79 1ujx s PRO 22 Ca 0.67 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1ujx s PRO 22 Cb -0.25 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ujx s PRO 22 CO 0.30 -2.28 0.00 -2.37 0.04 0.00 0.00 177.00 172.69 1ujx n THR 23 N -3.82 0.00 -0.17 1.26 5.66 -1.26 -2.43 114.28 113.53 1ujx n THR 23 Ca 0.07 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.01 1ujx n THR 23 Cb 0.59 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.00 2.91 0.00 1.09 0.00 -1.26 -4.86 105.19 103.07 1ujx n GLY 24 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.65 -3.30 3.78 -0.02 0.00 -1.02 -4.98 105.19 100.30 1ujx n GLY 25 Ca 0.13 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.85 0.99 1.61 0.04 -1.26 -5.06 135.00 132.16 1ujx s PRO 26 Ca 0.00 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.07 1ujx s PRO 26 Cb 0.00 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.91 1ujx s PRO 26 CO 0.00 -2.38 1.18 -1.25 0.04 0.00 0.00 177.00 174.59 1ujx s PRO 27 N -5.36 0.47 -0.55 0.56 0.04 -1.26 -4.64 135.00 124.27 1ujx s PRO 27 Ca 0.66 0.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 1ujx s PRO 27 Cb -0.13 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1ujx s PRO 27 CO 0.54 -2.60 1.49 -1.25 0.04 0.00 0.00 177.00 175.21 1ujx s PRO 28 N -5.46 3.24 -0.11 0.56 0.04 -1.26 -4.78 135.00 127.23 1ujx s PRO 28 Ca 0.68 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1ujx s PRO 28 Cb -0.11 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 1ujx s PRO 28 CO 0.54 -2.01 1.12 0.42 0.04 0.00 0.00 177.00 177.11 1ujx s ILE 29 N 6.42 4.51 -0.44 0.56 1.09 -1.24 -4.88 121.20 127.21 1ujx s ILE 29 Ca 0.56 1.80 -0.22 0.00 -1.10 0.00 0.00 60.65 61.69 1ujx s ILE 29 Cb -0.12 -4.16 0.02 0.00 -1.06 0.00 0.00 42.46 37.14 1ujx s ILE 29 CO 0.25 -0.04 0.73 -0.36 -0.10 0.00 0.00 174.94 175.43 1ujx s PHE 30 N 2.40 3.03 0.93 3.97 0.40 -1.26 -2.54 117.98 124.90 1ujx s PHE 30 Ca 0.51 0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.86 1ujx s PHE 30 Cb -0.21 -3.52 0.15 0.00 0.51 0.00 0.00 43.02 39.96 1ujx s PHE 30 CO 0.18 -0.91 1.12 -0.51 0.70 0.00 0.00 175.22 175.80 1ujx s LEU 31 N 3.09 2.60 -0.02 -0.37 1.43 -1.17 -4.93 118.68 119.32 1ujx s LEU 31 Ca 0.27 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 1ujx s LEU 31 Cb -0.13 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1ujx s LEU 31 CO 0.21 -3.09 1.20 -2.16 0.23 0.00 0.00 176.35 172.75 1ujx s PRO 32 N -4.67 4.38 0.08 1.29 0.04 -1.26 -4.82 135.00 130.04 1ujx s PRO 32 Ca 0.66 1.71 0.13 0.00 0.04 0.00 0.00 61.00 63.54 1ujx s PRO 32 Cb -0.22 -3.50 -0.14 0.00 0.04 0.00 0.00 34.50 30.68 1ujx s PRO 32 CO 0.58 -0.39 0.99 0.77 0.04 0.00 0.00 177.00 178.99 1ujx h SER 33 N 7.29 0.00 -0.96 6.66 0.02 -1.91 -3.28 113.55 121.37 1ujx h SER 33 Ca -0.37 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.73 1ujx h SER 33 Cb 1.18 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 1ujx h SER 33 CO 0.86 0.76 0.61 0.44 -1.14 0.00 0.00 176.83 178.36 1ujx h ASP 34 N 0.00 0.77 0.00 3.07 5.19 -1.91 -3.45 116.42 120.09 1ujx h ASP 34 Ca -0.14 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1ujx h ASP 34 Cb 1.70 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.12 1ujx h ASP 34 CO 0.08 0.37 0.00 0.61 -3.12 0.00 0.00 179.24 177.17 1ujx n GLY 35 N -1.38 0.71 3.06 2.75 0.00 -1.25 -5.14 105.19 103.94 1ujx n GLY 35 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -1.90 -4.50 1.61 6.02 -1.26 -4.85 117.38 112.50 1ujx n GLN 36 Ca 0.00 -0.56 -0.28 0.00 -0.01 0.00 0.00 57.00 56.15 1ujx n GLN 36 Cb 0.00 -1.46 -0.17 0.00 1.02 0.00 0.00 30.24 29.63 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 -2.10 1.68 -0.49 -1.58 0.00 -1.26 -4.45 121.76 113.55 1ujx s ALA 37 Ca 0.39 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1ujx s ALA 37 Cb -0.06 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.30 1ujx s ALA 37 CO 0.41 -0.05 0.67 -1.17 0.00 0.00 0.00 175.76 175.62 1ujx s LEU 38 N 0.94 4.73 -0.40 0.00 2.96 0.17 -4.89 118.68 122.19 1ujx s LEU 38 Ca -0.08 -0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 52.86 1ujx s LEU 38 Cb -0.15 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1ujx s LEU 38 CO -0.01 -0.90 1.32 -0.69 -1.32 0.00 0.00 176.35 174.75 1ujx s VAL 39 N 2.84 4.04 0.30 1.68 1.01 -1.26 -1.94 120.40 127.06 1ujx s VAL 39 Ca 0.19 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1ujx s VAL 39 Cb -0.17 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1ujx s VAL 39 CO 0.15 -0.74 0.49 -0.76 0.00 0.00 0.00 175.10 174.23 1ujx s LEU 40 N 4.95 4.11 0.00 3.92 1.02 -1.12 -4.90 118.68 126.65 1ujx s LEU 40 Ca 0.57 0.40 0.00 0.00 0.02 0.00 0.00 54.13 55.12 1ujx s LEU 40 Cb -0.13 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.85 1ujx s LEU 40 CO 0.30 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1ujx n GLY 41 N -1.43 -0.18 3.77 -3.19 0.00 -1.25 -2.32 105.19 100.58 1ujx n GLY 41 Ca -0.05 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1ujx n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 42 N -2.00 3.69 0.00 1.61 0.52 -1.25 -4.13 118.95 117.38 1ujx s ARG 42 Ca 0.00 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 1ujx s ARG 42 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1ujx s ARG 42 CO 0.00 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 174.92 1ujx n GLY 43 N 0.59 0.58 0.00 -3.53 0.00 -0.32 -4.63 105.19 97.88 1ujx n GLY 43 Ca 0.05 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.05 0.62 0.41 1.61 -0.04 -1.26 -1.40 135.00 134.89 1ujx n PRO 44 Ca 0.00 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 1ujx n PRO 44 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.99 -2.93 1.53 -0.00 -1.85 -3.32 115.31 107.75 1ujx h LEU 45 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1ujx h LEU 45 Cb 0.07 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1ujx h LEU 45 CO 0.00 -0.66 0.00 0.35 -0.00 0.00 0.00 178.44 178.13 1ujx n THR 46 N -5.01 0.98 -1.38 0.22 -2.24 -1.24 -4.92 114.28 100.69 1ujx n THR 46 Ca -0.13 -0.99 -0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1ujx n THR 46 Cb 0.43 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.22 -1.17 -2.81 -0.78 1.13 -0.49 -4.69 117.38 108.34 1ujx n GLN 47 Ca 0.03 0.95 -0.41 0.00 -1.94 0.00 0.00 57.00 55.63 1ujx n GLN 47 Cb 0.29 -5.11 -0.05 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 -2.37 4.60 -0.10 5.09 1.01 -1.12 -4.90 120.40 122.61 1ujx s VAL 48 Ca 0.00 1.92 0.17 0.00 0.00 0.00 0.00 61.98 64.07 1ujx s VAL 48 Cb 0.00 -4.25 0.37 0.00 0.00 0.00 0.00 36.38 32.50 1ujx s VAL 48 CO 0.00 0.33 1.17 0.35 0.00 0.00 0.00 175.10 176.95 1ujx n THR 49 N 2.84 1.07 -3.15 3.92 -2.24 -1.26 -1.17 114.28 114.29 1ujx n THR 49 Ca 0.01 -1.94 -0.39 0.00 -2.27 0.00 0.00 64.05 59.45 1ujx n THR 49 Cb 0.50 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.49 6.80 0.23 3.42 2.15 -1.26 -4.96 116.67 120.56 1ujx s ASP 50 Ca 0.32 0.97 -0.07 0.00 0.43 0.00 0.00 52.55 54.20 1ujx s ASP 50 Cb 0.34 -2.35 0.34 0.00 -0.30 0.00 0.00 42.92 40.95 1ujx s ASP 50 CO -0.10 -0.13 1.77 0.03 -0.17 0.00 0.00 175.17 176.57 1ujx h ARG 51 N 6.97 0.54 -0.54 4.34 3.08 -2.04 0.35 114.38 127.09 1ujx h ARG 51 Ca -0.38 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.79 1ujx h ARG 51 Cb 1.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1ujx h ARG 51 CO 0.76 0.36 0.44 0.87 -1.07 0.00 0.00 179.97 181.33 1ujx h LYS 52 N 0.56 0.00 -6.22 0.04 1.79 -2.04 -3.38 116.57 107.32 1ujx h LYS 52 Ca 0.35 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.26 1ujx h LYS 52 Cb 0.40 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1ujx h LYS 52 CO -0.29 0.00 0.64 0.00 -1.08 0.00 0.00 179.45 178.72 1ujx s SER 54 N 1.18 5.99 0.36 0.00 0.15 -1.26 -4.31 113.70 115.80 1ujx s SER 54 Ca 0.48 0.33 0.23 0.00 0.70 0.00 0.00 55.95 57.70 1ujx s SER 54 Cb -0.18 -1.85 1.28 0.00 -1.71 0.00 0.00 66.02 63.56 1ujx s SER 54 CO 0.16 0.37 1.44 0.54 1.20 0.00 0.00 173.24 176.94 1ujx n ARG 55 N 1.84 -0.05 -3.06 5.44 1.74 -1.26 0.25 116.66 121.55 1ujx n ARG 55 Ca -0.18 1.21 -0.26 0.00 -0.77 0.00 0.00 57.85 57.85 1ujx n ARG 55 Cb 0.54 -2.26 -0.05 0.00 -1.02 0.00 0.00 32.46 29.67 1ujx n ARG 55 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ujx n ASN 56 N -4.86 3.97 0.04 0.55 2.04 -1.26 -3.79 115.26 111.95 1ujx n ASN 56 Ca 0.36 -3.56 -0.06 0.00 -0.44 0.00 0.00 54.58 50.87 1ujx n ASN 56 Cb 1.28 -0.59 0.12 0.00 -2.53 0.00 0.00 39.78 38.06 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 1ujx h GLN 57 N 3.25 0.42 -3.69 -3.83 5.75 0.20 -1.58 115.11 115.64 1ujx h GLN 57 Ca 0.14 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1ujx h GLN 57 Cb 0.58 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.05 1ujx h GLN 57 CO 0.79 0.82 -0.15 0.14 -2.65 0.00 0.00 178.83 177.78 1ujx s VAL 58 N -4.06 0.01 -0.27 2.39 -7.23 -1.24 -2.68 120.40 107.32 1ujx s VAL 58 Ca -0.06 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1ujx s VAL 58 Cb 0.12 -2.16 0.08 0.00 0.56 0.00 0.00 36.38 34.98 1ujx s VAL 58 CO 0.81 -0.03 0.03 -0.70 -0.31 0.00 0.00 175.10 174.91 1ujx s GLU 59 N -4.01 1.09 0.07 4.82 2.12 0.46 -2.81 118.70 120.44 1ujx s GLU 59 Ca 0.22 -1.02 -0.17 0.00 0.36 0.00 0.00 54.97 54.36 1ujx s GLU 59 Cb -0.00 -2.36 -0.06 0.00 0.26 0.00 0.00 34.13 31.97 1ujx s GLU 59 CO 0.08 -0.79 0.53 -0.51 -0.54 0.00 0.00 175.26 174.03 1ujx s LEU 60 N 1.50 4.48 -0.09 2.70 1.02 -0.82 -2.05 118.68 125.43 1ujx s LEU 60 Ca 0.03 1.16 -0.03 0.00 0.02 0.00 0.00 54.13 55.30 1ujx s LEU 60 Cb -0.18 -2.90 0.04 0.00 0.02 0.00 0.00 46.19 43.17 1ujx s LEU 60 CO -0.14 0.25 0.09 -0.63 0.02 0.00 0.00 176.35 175.95 1ujx s ILE 61 N -1.18 -0.14 0.01 -0.59 1.01 -0.48 0.44 121.20 120.27 1ujx s ILE 61 Ca 0.30 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1ujx s ILE 61 Cb -0.18 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1ujx s ILE 61 CO 0.18 0.04 1.21 0.00 0.00 0.00 0.00 174.94 176.37 1ujx s ALA 62 N 2.19 3.45 -0.51 9.38 0.00 -1.24 -1.14 121.76 133.89 1ujx s ALA 62 Ca 0.04 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1ujx s ALA 62 Cb -0.13 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.65 1ujx s ALA 62 CO -0.05 -0.61 0.30 0.34 0.00 0.00 0.00 175.76 175.74 1ujx s ASP 63 N 1.31 3.87 0.00 0.00 2.15 0.11 -4.63 116.67 119.48 1ujx s ASP 63 Ca 0.58 -3.00 0.22 0.00 0.43 0.00 0.00 52.55 50.78 1ujx s ASP 63 Cb -0.27 -1.26 1.33 0.00 -0.30 0.00 0.00 42.92 42.42 1ujx s ASP 63 CO 0.26 -0.21 1.72 -0.81 -0.17 0.00 0.00 175.17 175.96 1ujx n PRO 64 N 3.07 0.75 -0.03 4.34 -0.04 -1.26 -0.44 135.00 141.39 1ujx n PRO 64 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1ujx n PRO 64 Cb 0.35 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1ujx n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujx h GLU 65 N 0.00 0.18 0.00 0.54 3.07 -1.91 -3.33 114.58 113.13 1ujx h GLU 65 Ca 0.00 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1ujx h GLU 65 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 1ujx h GLU 65 CO 0.00 0.60 -0.36 0.43 -1.40 0.00 0.00 179.01 178.27 1ujx n SER 66 N -4.72 1.60 -3.74 1.42 7.64 -1.20 -4.99 113.62 109.64 1ujx n SER 66 Ca -0.07 -3.03 -0.26 0.00 1.01 0.00 0.00 58.87 56.52 1ujx n SER 66 Cb 0.29 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.87 -2.92 -4.26 1.43 5.12 -0.72 -4.98 116.66 109.46 1ujx n ARG 67 Ca 0.13 0.51 -0.15 0.00 -1.93 0.00 0.00 57.85 56.41 1ujx n ARG 67 Cb 0.73 -4.64 -0.10 0.00 -1.16 0.00 0.00 32.46 27.30 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ujx s THR 68 N -3.66 0.16 -0.04 0.55 -4.23 0.41 -4.34 115.64 104.50 1ujx s THR 68 Ca 0.21 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1ujx s THR 68 Cb -0.07 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.28 1ujx s THR 68 CO 0.85 0.00 0.07 -0.69 -0.54 0.00 0.00 174.62 174.31 1ujx s VAL 69 N -3.87 -0.07 0.26 2.29 1.01 0.06 0.07 120.40 120.15 1ujx s VAL 69 Ca 0.38 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 1ujx s VAL 69 Cb 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 36.38 36.21 1ujx s VAL 69 CO 0.16 0.10 0.74 0.00 0.00 0.00 0.00 175.10 176.10 1ujx s ALA 70 N 1.27 3.37 -0.02 5.51 0.00 -0.29 0.19 121.76 131.79 1ujx s ALA 70 Ca -0.07 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1ujx s ALA 70 Cb -0.12 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 1ujx s ALA 70 CO -0.04 0.32 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 1ujx s VAL 71 N -1.66 0.71 -0.10 0.00 1.01 0.23 -1.38 120.40 119.22 1ujx s VAL 71 Ca 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ujx s VAL 71 Cb -0.15 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1ujx s VAL 71 CO 0.20 0.22 0.22 -0.75 0.00 0.00 0.00 175.10 174.98 1ujx s LYS 72 N 0.06 0.13 -0.27 2.72 2.20 -0.87 0.13 119.74 123.84 1ujx s LYS 72 Ca -0.01 0.58 -0.25 0.00 -0.36 0.00 0.00 55.97 55.93 1ujx s LYS 72 Cb -0.06 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1ujx s LYS 72 CO 0.00 -0.23 0.88 -1.14 -0.36 0.00 0.00 175.35 174.50 1ujx s GLN 73 N 1.81 4.11 0.00 4.03 0.74 -0.87 0.18 119.66 129.66 1ujx s GLN 73 Ca -0.04 0.91 0.12 0.00 0.05 0.00 0.00 55.36 56.40 1ujx s GLN 73 Cb -0.11 -3.68 0.07 0.00 1.10 0.00 0.00 33.01 30.38 1ujx s GLN 73 CO -0.08 -0.64 0.83 1.28 -0.55 0.00 0.00 175.29 176.13 1ujx n LEU 74 N 6.24 1.81 0.00 3.68 4.77 -1.09 -1.56 117.00 130.85 1ujx n LEU 74 Ca 0.07 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1ujx n LEU 74 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ujx n LEU 74 CO 0.51 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1ujx n GLY 75 N 0.76 1.53 1.10 -0.72 0.00 -0.60 -4.83 105.19 102.44 1ujx n GLY 75 Ca 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.10 -1.71 1.61 3.14 -1.26 -4.66 118.33 115.55 1ujx n VAL 76 Ca 0.00 0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.99 1ujx n VAL 76 Cb 0.00 -1.41 -0.01 0.00 -1.06 0.00 0.00 33.84 31.36 1ujx n VAL 76 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ujx n ASN 77 N -3.00 3.00 -4.67 6.55 3.02 -1.26 -4.31 115.26 114.59 1ujx n ASN 77 Ca 0.00 1.21 -0.43 0.00 -0.03 0.00 0.00 54.58 55.33 1ujx n ASN 77 Cb 0.41 -1.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.05 1ujx n ASN 77 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ujx s PRO 78 N -1.76 4.28 0.39 3.52 0.04 -1.26 -4.75 135.00 135.45 1ujx s PRO 78 Ca 0.56 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.25 1ujx s PRO 78 Cb -0.55 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1ujx s PRO 78 CO 0.61 -0.61 0.65 -1.12 0.04 0.00 0.00 177.00 176.57 1ujx s SER 79 N 1.82 6.33 -0.19 6.66 0.01 -1.26 -4.75 113.70 122.32 1ujx s SER 79 Ca 0.56 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1ujx s SER 79 Cb -0.23 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1ujx s SER 79 CO 0.18 -0.38 -0.17 -0.89 0.41 0.00 0.00 173.24 172.39 1ujx s THR 80 N -2.43 2.37 -0.80 1.44 2.01 -1.21 0.20 115.64 117.21 1ujx s THR 80 Ca 0.44 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1ujx s THR 80 Cb -0.10 -2.01 0.21 0.00 0.01 0.00 0.00 72.50 70.61 1ujx s THR 80 CO 0.38 0.51 0.73 -0.69 -0.69 0.00 0.00 174.62 174.86 1ujx s VAL 81 N 1.28 5.42 0.00 3.82 1.01 0.69 -1.44 120.40 131.18 1ujx s VAL 81 Ca 0.04 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.51 1ujx s VAL 81 Cb -0.14 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1ujx s VAL 81 CO -0.10 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 174.60 1ujx n GLY 82 N 3.93 1.86 0.37 4.51 0.00 0.20 -2.99 105.19 113.08 1ujx n GLY 82 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.68 -4.42 1.61 3.14 -1.26 -4.78 118.33 113.30 1ujx n VAL 83 Ca 0.00 -0.85 -0.24 0.00 -2.96 0.00 0.00 64.34 60.29 1ujx n VAL 83 Cb 0.00 0.24 -0.13 0.00 -1.06 0.00 0.00 33.84 32.89 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 -1.04 1.21 0.01 1.45 0.74 -1.16 -5.14 119.66 115.73 1ujx s GLN 84 Ca 0.12 -1.07 -0.12 0.00 0.05 0.00 0.00 55.36 54.35 1ujx s GLN 84 Cb 0.11 -1.41 -0.05 0.00 1.10 0.00 0.00 33.01 32.75 1ujx s GLN 84 CO 0.01 0.34 0.36 -2.00 -0.55 0.00 0.00 175.29 173.45 1ujx s GLU 85 N -1.62 3.79 0.14 1.67 2.56 -1.26 -0.22 118.70 123.75 1ujx s GLU 85 Ca 0.07 0.24 0.02 0.00 0.00 0.00 0.00 54.97 55.30 1ujx s GLU 85 Cb -0.09 -3.15 0.02 0.00 2.00 0.00 0.00 34.13 32.91 1ujx s GLU 85 CO 0.03 0.67 0.14 1.28 -0.56 0.00 0.00 175.26 176.82 1ujx n LEU 86 N 1.54 0.00 -4.13 2.70 4.77 0.55 -4.90 117.00 117.53 1ujx n LEU 86 Ca -0.13 -0.66 -0.11 0.00 -0.03 0.00 0.00 56.01 55.08 1ujx n LEU 86 Cb 0.53 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1ujx n LEU 86 CO 0.38 -0.42 -0.12 -0.54 -1.33 0.00 0.00 177.39 175.36 1ujx s LYS 87 N -2.59 1.27 -0.80 3.23 1.02 -1.26 -4.28 119.74 116.34 1ujx s LYS 87 Ca 0.11 -1.49 -0.25 0.00 0.02 0.00 0.00 55.97 54.35 1ujx s LYS 87 Cb -0.01 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1ujx s LYS 87 CO 0.07 -0.45 1.62 -1.25 -0.92 0.00 0.00 175.35 174.41 1ujx s PRO 88 N -4.10 2.98 0.00 -1.68 0.04 -1.26 -1.96 135.00 129.02 1ujx s PRO 88 Ca 0.32 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1ujx s PRO 88 Cb 0.05 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1ujx s PRO 88 CO 0.10 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1ujx n GLY 89 N 6.10 1.01 3.08 0.56 0.00 -0.60 -5.03 105.19 110.32 1ujx n GLY 89 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.83 -4.86 117.00 116.60 1ujx n LEU 90 Ca 0.00 -1.41 -0.14 0.00 -1.11 0.00 0.00 56.01 53.35 1ujx n LEU 90 Cb 0.00 -0.67 -0.07 0.00 0.53 0.00 0.00 43.42 43.21 1ujx n LEU 90 CO 0.00 -1.08 0.38 -0.44 -1.11 0.00 0.00 177.39 175.14 1ujx s SER 91 N -4.57 -0.72 0.00 1.96 0.01 -1.26 -2.04 113.70 107.09 1ujx s SER 91 Ca 0.57 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.20 1ujx s SER 91 Cb -0.02 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1ujx s SER 91 CO 0.39 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1ujx n GLY 92 N 2.76 4.32 3.08 3.44 0.00 0.35 -4.95 105.19 114.19 1ujx n GLY 92 Ca -0.14 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 1ujx n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujx s SER 93 N -0.58 1.13 -0.10 1.61 0.15 -1.26 0.78 113.70 115.43 1ujx s SER 93 Ca 0.00 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.25 1ujx s SER 93 Cb 0.00 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1ujx s SER 93 CO 0.00 -0.07 -0.23 -0.76 1.20 0.00 0.00 173.24 173.38 1ujx s LEU 94 N -1.18 2.14 0.34 3.45 1.02 0.51 -4.92 118.68 120.03 1ujx s LEU 94 Ca -0.03 -0.55 0.05 0.00 0.02 0.00 0.00 54.13 53.62 1ujx s LEU 94 Cb -0.08 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1ujx s LEU 94 CO 0.01 0.16 0.50 -0.44 0.02 0.00 0.00 176.35 176.59 1ujx s SER 95 N 0.37 6.03 -0.34 2.29 0.01 -1.26 -0.76 113.70 120.05 1ujx s SER 95 Ca -0.18 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1ujx s SER 95 Cb -0.18 -1.47 -0.08 0.00 0.21 0.00 0.00 66.02 64.50 1ujx s SER 95 CO 0.08 -0.41 2.27 0.18 0.41 0.00 0.00 173.24 175.77 1ujx n LEU 96 N -1.70 2.59 0.00 2.44 4.77 -1.26 0.03 117.00 123.88 1ujx n LEU 96 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ujx n LEU 96 Cb 0.58 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1ujx n LEU 96 CO 0.44 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1ujx n GLY 97 N 6.11 2.10 3.48 -0.72 0.00 -0.41 -5.00 105.19 110.75 1ujx n GLY 97 Ca 0.37 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1ujx n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujx n ASP 98 N 0.13 -0.92 -4.85 1.61 9.92 0.11 -4.37 116.55 118.17 1ujx n ASP 98 Ca 0.00 0.72 -0.24 0.00 -0.53 0.00 0.00 54.79 54.74 1ujx n ASP 98 Cb 0.00 -1.20 -0.04 0.00 -0.64 0.00 0.00 41.12 39.24 1ujx n ASP 98 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ujx s VAL 99 N -1.73 4.71 -0.41 2.53 1.01 -1.26 -2.25 120.40 123.00 1ujx s VAL 99 Ca 0.69 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1ujx s VAL 99 Cb -0.43 -3.48 0.16 0.00 0.00 0.00 0.00 36.38 32.63 1ujx s VAL 99 CO 0.54 -0.22 0.30 -0.22 0.00 0.00 0.00 175.10 175.50 1ujx s LEU 100 N -3.50 1.60 -0.57 3.92 2.96 -1.23 0.59 118.68 122.45 1ujx s LEU 100 Ca 0.33 -2.77 -0.26 0.00 -0.22 0.00 0.00 54.13 51.20 1ujx s LEU 100 Cb -0.09 -0.56 -0.07 0.00 0.50 0.00 0.00 46.19 45.97 1ujx s LEU 100 CO 0.25 -0.22 2.31 -0.31 -1.32 0.00 0.00 176.35 177.07 1ujx s TYR 101 N 0.34 1.19 0.16 5.38 2.02 -0.52 -2.75 117.35 123.17 1ujx s TYR 101 Ca 0.26 1.49 -0.24 0.00 -0.37 0.00 0.00 57.07 58.21 1ujx s TYR 101 Cb -0.09 -3.65 0.02 0.00 -0.40 0.00 0.00 41.96 37.84 1ujx s TYR 101 CO -0.11 -2.32 1.35 -0.11 -1.57 0.00 0.00 175.55 172.79 1ujx n LEU 102 N 15.83 -0.82 -3.83 -1.29 0.00 -0.94 -3.36 117.00 122.59 1ujx n LEU 102 Ca 0.36 1.55 -0.06 0.00 0.00 0.00 0.00 56.01 57.86 1ujx n LEU 102 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.71 1ujx n LEU 102 CO 0.68 -1.30 0.61 0.54 0.00 0.00 0.00 177.39 177.93 1ujx s VAL 103 N -5.55 0.00 -0.95 1.96 0.11 -1.23 -4.66 120.40 110.08 1ujx s VAL 103 Ca -0.11 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.01 1ujx s VAL 103 Cb 0.12 -2.50 0.08 0.00 -1.53 0.00 0.00 36.38 32.55 1ujx s VAL 103 CO 0.57 0.00 0.30 -3.20 -3.33 0.00 0.00 175.10 169.43 1ujx n ASN 104 N -0.96 -2.26 -1.54 3.54 2.85 -1.26 0.16 115.26 115.79 1ujx n ASN 104 Ca -0.06 -0.23 -0.08 0.00 -0.11 0.00 0.00 54.58 54.10 1ujx n ASN 104 Cb 0.60 -1.96 -0.03 0.00 1.24 0.00 0.00 39.78 39.63 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 -0.87 0.44 0.45 8.20 0.00 -1.26 -4.86 105.19 107.30 1ujx n GLY 105 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.82 0.00 -3.78 0.99 4.77 0.41 -4.86 117.00 112.71 1ujx n LEU 106 Ca -0.08 -0.39 -0.35 0.00 -0.03 0.00 0.00 56.01 55.15 1ujx n LEU 106 Cb 0.34 0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1ujx n LEU 106 CO 0.12 -0.06 -0.09 -1.22 -1.33 0.00 0.00 177.39 174.80 1ujx n TYR 107 N -0.17 -1.79 -2.44 -1.77 4.01 -1.26 -2.44 117.16 111.30 1ujx n TYR 107 Ca -0.03 0.36 -0.42 0.00 -0.16 0.00 0.00 57.90 57.65 1ujx n TYR 107 Cb 0.08 -3.26 -0.03 0.00 -0.31 0.00 0.00 39.34 35.83 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 -6.30 4.38 -0.80 -0.72 0.04 -1.26 -2.22 135.00 128.12 1ujx s PRO 108 Ca 0.47 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 1ujx s PRO 108 Cb -0.19 -3.49 0.21 0.00 0.04 0.00 0.00 34.50 31.06 1ujx s PRO 108 CO 0.89 -0.38 0.70 -0.51 0.04 0.00 0.00 177.00 177.74 1ujx s LEU 109 N 1.85 6.10 0.21 -3.56 2.01 -1.11 -4.51 118.68 119.66 1ujx s LEU 109 Ca 0.57 -2.96 -0.31 0.00 0.01 0.00 0.00 54.13 51.43 1ujx s LEU 109 Cb -0.26 -2.06 -0.11 0.00 0.01 0.00 0.00 46.19 43.77 1ujx s LEU 109 CO 0.25 -0.43 1.61 -0.89 1.01 0.00 0.00 176.35 177.89 1ujx s THR 110 N -0.24 2.35 -0.07 5.49 2.01 -1.25 -3.53 115.64 120.41 1ujx s THR 110 Ca 0.20 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 1ujx s THR 110 Cb -0.13 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1ujx s THR 110 CO -0.07 0.03 0.90 -0.22 -0.69 0.00 0.00 174.62 174.56 1ujx s LEU 111 N 0.77 4.30 0.13 4.42 2.96 -0.95 -0.79 118.68 129.52 1ujx s LEU 111 Ca 0.70 1.45 0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1ujx s LEU 111 Cb -0.46 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 1ujx s LEU 111 CO 0.35 -0.29 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.84 1ujx s ARG 112 N 1.37 1.01 0.09 1.98 1.81 0.11 -1.29 118.95 124.03 1ujx s ARG 112 Ca 0.46 -1.32 0.09 0.00 -1.72 0.00 0.00 55.73 53.24 1ujx s ARG 112 Cb -0.19 -0.73 -0.04 0.00 -0.45 0.00 0.00 34.95 33.54 1ujx s ARG 112 CO 0.21 0.12 -0.23 -0.46 -0.68 0.00 0.00 175.30 174.26 1ujx s TRP 113 N -2.68 2.42 -0.16 -0.53 -0.11 -1.26 -0.51 118.94 116.12 1ujx s TRP 113 Ca 0.12 -0.33 -0.09 0.00 1.22 0.00 0.00 56.10 57.01 1ujx s TRP 113 Cb -0.02 -1.35 -0.05 0.00 -1.50 0.00 0.00 33.47 30.56 1ujx s TRP 113 CO 0.02 0.28 0.15 0.45 -4.62 0.00 0.00 176.95 173.23 1ujx s SER 114 N -1.75 6.32 0.00 5.86 0.15 0.11 -4.95 113.70 119.44 1ujx s SER 114 Ca 0.15 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1ujx s SER 114 Cb -0.10 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1ujx s SER 114 CO 0.06 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1ujx n GLY 115 N 2.78 2.26 3.75 9.45 0.00 -1.26 -3.27 105.19 118.90 1ujx n GLY 115 Ca -0.17 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1ujx n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 116 N -2.00 4.65 -0.13 1.61 0.04 -1.26 -4.53 135.00 133.38 1ujx s PRO 116 Ca 0.00 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1ujx s PRO 116 Cb 0.00 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.36 1ujx s PRO 116 CO 0.00 0.22 0.19 0.45 0.04 0.00 0.00 177.00 177.89 1ujx n SER 117 N 1.42 -1.39 -3.81 6.66 2.88 -1.26 -5.05 113.62 113.07 1ujx n SER 117 Ca -0.01 1.15 -0.21 0.00 -1.33 0.00 0.00 58.87 58.47 1ujx n SER 117 Cb 0.45 -4.49 -0.17 0.00 -0.75 0.00 0.00 64.21 59.25 1ujx n SER 117 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujx s SER 118 N -0.54 1.20 0.00 -3.46 1.04 -1.26 -5.17 113.70 105.51 1ujx s SER 118 Ca -0.22 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1ujx s SER 118 Cb 0.01 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1ujx s SER 118 CO 0.58 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.27