#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx s SER 2 N 0.00 5.92 0.26 1.61 0.15 -1.26 -4.97 113.70 115.41 1ujx s SER 2 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1ujx s SER 2 Cb 0.00 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1ujx s SER 2 CO 0.00 0.34 0.00 -1.20 1.20 0.00 0.00 173.24 173.58 1ujx n SER 3 N 1.64 -0.16 0.00 5.45 7.64 -1.26 -5.16 113.62 121.77 1ujx n SER 3 Ca -0.16 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1ujx n SER 3 Cb 0.54 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujx n GLY 4 N 1.51 4.21 1.19 0.23 0.00 -1.26 -5.11 105.19 105.96 1ujx n GLY 4 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ujx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujx n SER 5 N 0.00 -2.06 -4.91 1.61 7.64 -1.26 -5.14 113.62 109.51 1ujx n SER 5 Ca 0.00 0.64 -0.31 0.00 1.01 0.00 0.00 58.87 60.21 1ujx n SER 5 Cb 0.00 2.13 -0.04 0.00 -1.01 0.00 0.00 64.21 65.29 1ujx n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujx s SER 6 N -2.00 6.42 0.00 6.43 0.15 -1.26 -5.02 113.70 118.43 1ujx s SER 6 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1ujx s SER 6 Cb 0.00 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1ujx s SER 6 CO 0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ujx n GLY 7 N 0.15 1.37 3.34 9.45 0.00 -1.26 -5.19 105.19 113.05 1ujx n GLY 7 Ca -0.04 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1ujx n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ujx s MET 8 N 3.01 1.40 -0.31 1.61 1.00 -1.26 -5.07 119.30 119.69 1ujx s MET 8 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 55.69 54.00 1ujx s MET 8 Cb 0.00 0.35 0.19 0.00 0.00 0.00 0.00 34.83 35.36 1ujx s MET 8 CO 0.00 -0.51 1.13 -1.54 0.00 0.00 0.00 175.02 174.09 1ujx s SER 9 N -3.14 -0.12 -0.91 3.03 1.04 -1.26 -5.08 113.70 107.25 1ujx s SER 9 Ca 0.34 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.72 1ujx s SER 9 Cb 0.04 0.40 0.26 0.00 0.10 0.00 0.00 66.02 66.82 1ujx s SER 9 CO 0.13 -0.02 1.00 0.00 0.98 0.00 0.00 173.24 175.34 1ujx n GLN 10 N 3.97 3.21 0.00 4.02 6.02 -1.26 -4.33 117.38 129.01 1ujx n GLN 10 Ca 0.06 -4.54 0.00 0.00 -0.01 0.00 0.00 57.00 52.51 1ujx n GLN 10 Cb 0.63 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1ujx n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ujx n LEU 11 N 1.74 0.00 -1.32 1.08 4.77 -1.26 -5.14 117.00 116.86 1ujx n LEU 11 Ca 0.25 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ujx n LEU 11 Cb 0.37 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ujx n LEU 11 CO 0.48 -0.38 -0.03 0.61 -1.33 0.00 0.00 177.39 176.74 1ujx n GLY 12 N 3.36 -3.00 0.06 -0.72 0.00 -1.26 -4.93 105.19 98.70 1ujx n GLY 12 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1ujx n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ujx h SER 13 N 0.20 -0.00 -3.10 1.61 4.64 -2.01 -3.42 113.55 111.47 1ujx h SER 13 Ca -0.01 -0.57 -0.58 0.00 -0.47 0.00 0.00 61.79 60.15 1ujx h SER 13 Cb 0.03 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.73 1ujx h SER 13 CO 0.00 0.57 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.63 1ujx s ARG 14 N -3.89 0.78 0.35 4.77 0.52 -1.26 -5.04 118.95 115.18 1ujx s ARG 14 Ca -0.16 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 1ujx s ARG 14 Cb 0.01 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1ujx s ARG 14 CO 0.67 -1.08 0.00 0.41 0.02 0.00 0.00 175.30 175.32 1ujx n GLY 15 N 4.37 -5.21 3.61 -3.53 0.00 -1.26 -4.96 105.19 98.21 1ujx n GLY 15 Ca 0.03 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1ujx n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujx s ARG 16 N -1.70 3.57 0.71 1.61 3.03 -1.24 -4.81 118.95 120.12 1ujx s ARG 16 Ca 0.00 -0.42 -0.11 0.00 2.03 0.00 0.00 55.73 57.24 1ujx s ARG 16 Cb 0.00 -2.99 0.02 0.00 -1.03 0.00 0.00 34.95 30.95 1ujx s ARG 16 CO 0.00 0.40 1.07 -0.51 -1.13 0.00 0.00 175.30 175.13 1ujx s LEU 17 N -0.04 3.01 0.18 -1.89 1.43 -1.26 -1.00 118.68 119.10 1ujx s LEU 17 Ca 0.04 1.49 -0.24 0.00 -1.03 0.00 0.00 54.13 54.40 1ujx s LEU 17 Cb -0.13 -4.33 0.07 0.00 0.03 0.00 0.00 46.19 41.83 1ujx s LEU 17 CO 0.02 -1.49 0.97 -1.66 0.23 0.00 0.00 176.35 174.42 1ujx s TRP 18 N -3.11 -0.06 0.04 0.29 1.48 0.16 -2.25 118.94 115.50 1ujx s TRP 18 Ca 0.58 -0.30 0.09 0.00 -1.06 0.00 0.00 56.10 55.41 1ujx s TRP 18 Cb -0.14 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 32.82 1ujx s TRP 18 CO 0.55 -0.91 -0.24 -0.51 -4.06 0.00 0.00 176.95 171.77 1ujx s LEU 19 N -3.07 2.30 -0.33 -4.66 1.43 -1.03 0.81 118.68 114.12 1ujx s LEU 19 Ca 0.15 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ujx s LEU 19 Cb -0.02 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.92 1ujx s LEU 19 CO 0.04 0.26 0.06 -1.58 0.23 0.00 0.00 176.35 175.36 1ujx s GLN 20 N -1.27 2.11 0.38 1.70 0.74 0.11 -3.88 119.66 119.55 1ujx s GLN 20 Ca 0.12 -1.55 -0.24 0.00 0.05 0.00 0.00 55.36 53.75 1ujx s GLN 20 Cb -0.10 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 1ujx s GLN 20 CO 0.03 -0.80 0.97 -1.54 -0.55 0.00 0.00 175.29 173.39 1ujx s SER 21 N 1.34 7.06 0.47 6.67 1.04 -1.26 -3.19 113.70 125.82 1ujx s SER 21 Ca 0.01 1.82 -0.21 0.00 0.48 0.00 0.00 55.95 58.05 1ujx s SER 21 Cb -0.21 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.26 1ujx s SER 21 CO -0.04 -0.27 1.04 -2.16 0.98 0.00 0.00 173.24 172.79 1ujx s PRO 22 N -2.58 3.87 0.55 4.02 0.04 -1.26 -4.75 135.00 134.88 1ujx s PRO 22 Ca 0.56 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1ujx s PRO 22 Cb -0.16 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1ujx s PRO 22 CO 0.20 -0.38 0.00 -2.37 0.04 0.00 0.00 177.00 174.49 1ujx n THR 23 N -0.80 0.00 -0.59 1.26 5.66 -1.26 -3.88 114.28 114.66 1ujx n THR 23 Ca 0.08 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.05 1ujx n THR 23 Cb 0.52 -0.12 0.01 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.44 2.85 0.00 1.09 0.00 -1.26 -4.83 105.19 101.60 1ujx n GLY 24 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.27 -2.53 3.79 -0.02 0.00 -1.25 -4.99 105.19 101.45 1ujx n GLY 25 Ca 0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 1.12 0.98 1.61 0.04 -1.26 -5.06 135.00 132.43 1ujx s PRO 26 Ca 0.00 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 1ujx s PRO 26 Cb 0.00 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1ujx s PRO 26 CO 0.00 -2.21 1.17 -1.25 0.04 0.00 0.00 177.00 174.75 1ujx s PRO 27 N -5.29 0.53 -0.57 0.56 0.04 -1.26 -4.74 135.00 124.27 1ujx s PRO 27 Ca 0.64 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 1ujx s PRO 27 Cb -0.15 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1ujx s PRO 27 CO 0.53 -2.57 1.50 -1.25 0.04 0.00 0.00 177.00 175.26 1ujx s PRO 28 N -5.44 3.17 -0.01 0.56 0.04 -1.26 -4.86 135.00 127.20 1ujx s PRO 28 Ca 0.68 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 1ujx s PRO 28 Cb -0.11 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 1ujx s PRO 28 CO 0.54 -2.10 1.08 0.42 0.04 0.00 0.00 177.00 176.98 1ujx s ILE 29 N 6.61 4.52 -0.39 0.56 1.09 -1.25 -4.88 121.20 127.46 1ujx s ILE 29 Ca 0.55 1.81 -0.18 0.00 -1.10 0.00 0.00 60.65 61.73 1ujx s ILE 29 Cb -0.12 -4.16 0.01 0.00 -1.06 0.00 0.00 42.46 37.13 1ujx s ILE 29 CO 0.24 0.10 0.51 -0.36 -0.10 0.00 0.00 174.94 175.32 1ujx s PHE 30 N 1.38 3.15 0.92 3.97 0.40 -1.26 -2.47 117.98 124.07 1ujx s PHE 30 Ca 0.54 -0.04 -0.11 0.00 -0.60 0.00 0.00 56.93 56.72 1ujx s PHE 30 Cb -0.24 -2.99 0.15 0.00 0.51 0.00 0.00 43.02 40.45 1ujx s PHE 30 CO 0.26 -0.65 1.10 -0.51 0.70 0.00 0.00 175.22 176.12 1ujx s LEU 31 N 2.39 2.43 0.45 -0.37 1.43 -0.96 -4.98 118.68 119.08 1ujx s LEU 31 Ca 0.17 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.91 1ujx s LEU 31 Cb -0.16 -4.23 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 1ujx s LEU 31 CO 0.14 -2.95 1.04 -2.16 0.23 0.00 0.00 176.35 172.65 1ujx s PRO 32 N -4.74 3.95 0.00 1.29 0.04 -1.26 -4.64 135.00 129.63 1ujx s PRO 32 Ca 0.65 1.42 0.10 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 32 Cb -0.21 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1ujx s PRO 32 CO 0.58 -0.32 0.60 0.43 0.04 0.00 0.00 177.00 178.34 1ujx n SER 33 N -0.61 1.11 0.01 6.66 7.64 -1.26 -3.77 113.62 123.39 1ujx n SER 33 Ca 0.08 -1.05 0.14 0.00 1.01 0.00 0.00 58.87 59.04 1ujx n SER 33 Cb 0.51 0.54 0.59 0.00 -1.01 0.00 0.00 64.21 64.84 1ujx n SER 33 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ujx n ASP 34 N -0.39 0.06 0.00 6.43 9.92 -1.26 -4.87 116.55 126.45 1ujx n ASP 34 Ca 0.04 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1ujx n ASP 34 Cb 0.20 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1ujx n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ujx n GLY 35 N 1.40 2.34 3.16 0.44 0.00 -1.26 -5.10 105.19 106.17 1ujx n GLY 35 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.51 -0.97 -4.75 1.61 6.02 -1.26 -4.79 117.38 112.73 1ujx n GLN 36 Ca 0.00 -0.27 -0.28 0.00 -0.01 0.00 0.00 57.00 56.44 1ujx n GLN 36 Cb 0.00 -1.41 -0.17 0.00 1.02 0.00 0.00 30.24 29.68 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 -2.14 1.66 -0.64 -1.58 0.00 -1.26 -4.23 121.76 113.58 1ujx s ALA 37 Ca 0.48 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 1ujx s ALA 37 Cb -0.02 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.48 1ujx s ALA 37 CO 0.66 0.12 0.82 -1.17 0.00 0.00 0.00 175.76 176.19 1ujx s LEU 38 N 0.65 5.06 -0.31 0.00 2.96 0.16 -4.86 118.68 122.34 1ujx s LEU 38 Ca -0.14 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 52.13 1ujx s LEU 38 Cb -0.16 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1ujx s LEU 38 CO 0.04 -1.21 1.61 -0.69 -1.32 0.00 0.00 176.35 174.78 1ujx s VAL 39 N 3.10 3.70 0.64 1.68 1.01 -1.26 -2.59 120.40 126.68 1ujx s VAL 39 Ca 0.17 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1ujx s VAL 39 Cb -0.20 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.43 1ujx s VAL 39 CO 0.06 -0.47 0.89 -0.76 0.00 0.00 0.00 175.10 174.83 1ujx s LEU 40 N 5.81 3.10 0.00 3.92 1.02 -0.98 -4.90 118.68 126.65 1ujx s LEU 40 Ca 0.71 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.62 1ujx s LEU 40 Cb -0.21 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.67 1ujx s LEU 40 CO 0.31 -1.54 0.00 0.61 0.02 0.00 0.00 176.35 175.76 1ujx n GLY 41 N -2.60 0.59 3.65 -3.19 0.00 -1.26 -2.38 105.19 100.00 1ujx n GLY 41 Ca 0.12 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 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 0.86 0.00 1.61 1.74 -1.24 -4.33 116.66 115.31 1ujx n ARG 42 Ca 0.00 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1ujx n ARG 42 Cb 0.00 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 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 1.15 0.75 0.00 -0.13 0.00 -0.44 -4.68 105.19 101.84 1ujx n GLY 43 Ca 0.14 -2.22 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 -0.83 0.75 0.53 1.61 -0.04 -1.26 -1.78 135.00 133.97 1ujx n PRO 44 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1ujx n PRO 44 Cb 0.00 -1.48 -0.10 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 -1.16 -2.74 1.53 4.07 -1.85 -3.31 115.31 111.85 1ujx h LEU 45 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ujx h LEU 45 Cb 0.00 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1ujx h LEU 45 CO 0.00 -0.82 0.00 0.35 -1.08 0.00 0.00 178.44 176.89 1ujx n THR 46 N -5.64 0.88 -1.28 0.22 -2.24 -1.24 -4.87 114.28 100.12 1ujx n THR 46 Ca -0.17 -0.94 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 1ujx n THR 46 Cb 0.53 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.06 -1.01 -2.68 -0.78 6.02 -0.73 -4.78 117.38 113.36 1ujx n GLN 47 Ca 0.04 0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 57.40 1ujx n GLN 47 Cb 0.29 -4.81 -0.03 0.00 1.02 0.00 0.00 30.24 26.72 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ujx s VAL 48 N -2.18 4.78 -0.05 5.09 1.01 -1.09 -4.90 120.40 123.06 1ujx s VAL 48 Ca 0.00 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.06 1ujx s VAL 48 Cb 0.00 -4.28 0.11 0.00 0.00 0.00 0.00 36.38 32.21 1ujx s VAL 48 CO 0.00 0.14 1.01 0.35 0.00 0.00 0.00 175.10 176.60 1ujx n THR 49 N 3.97 0.83 -2.88 3.92 -2.24 -1.26 -1.32 114.28 115.29 1ujx n THR 49 Ca 0.07 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 1ujx n THR 49 Cb 0.50 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.65 7.22 0.48 3.42 2.15 -1.26 -4.93 116.67 122.10 1ujx s ASP 50 Ca 0.13 1.47 0.15 0.00 0.43 0.00 0.00 52.55 54.73 1ujx s ASP 50 Cb 0.11 -2.50 1.12 0.00 -0.30 0.00 0.00 42.92 41.35 1ujx s ASP 50 CO 0.01 -0.13 2.06 0.08 -0.17 0.00 0.00 175.17 177.02 1ujx h ARG 51 N 6.41 0.00 0.00 4.34 0.11 -2.05 0.29 114.38 123.48 1ujx h ARG 51 Ca -0.42 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1ujx h ARG 51 Cb 1.21 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1ujx h ARG 51 CO 0.74 0.10 0.00 0.87 0.10 0.00 0.00 179.97 181.78 1ujx h LYS 52 N 0.00 0.00 -7.27 0.08 1.57 -2.03 -3.41 116.57 105.50 1ujx h LYS 52 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.32 1ujx h LYS 52 Cb 0.18 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.57 1ujx h LYS 52 CO 0.01 0.00 0.20 0.00 -0.57 0.00 0.00 179.45 179.10 1ujx s SER 54 N -4.55 -0.20 0.49 0.00 0.15 -1.26 -4.84 113.70 103.48 1ujx s SER 54 Ca 0.61 0.41 0.42 0.00 0.70 0.00 0.00 55.95 58.10 1ujx s SER 54 Cb -0.10 0.37 1.55 0.00 -1.71 0.00 0.00 66.02 66.13 1ujx s SER 54 CO 0.45 -0.10 1.45 0.54 1.20 0.00 0.00 173.24 176.78 1ujx n ARG 55 N 3.43 -0.01 -3.12 5.44 1.74 -1.26 0.33 116.66 123.21 1ujx n ARG 55 Ca -0.17 1.05 -0.24 0.00 -0.77 0.00 0.00 57.85 57.73 1ujx n ARG 55 Cb 0.56 -2.32 -0.05 0.00 -1.02 0.00 0.00 32.46 29.64 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 -4.02 2.63 -0.10 0.55 0.23 -1.24 -4.02 115.26 109.29 1ujx n ASN 56 Ca 0.40 -3.31 -0.12 0.00 -0.53 0.00 0.00 54.58 51.03 1ujx n ASN 56 Cb 1.76 -0.60 -0.04 0.00 -2.08 0.00 0.00 39.78 38.82 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1ujx h GLN 57 N 3.26 0.58 -3.68 -3.83 5.75 0.25 -3.11 115.11 114.34 1ujx h GLN 57 Ca 0.12 -0.22 -0.10 0.00 -0.15 0.00 0.00 58.65 58.30 1ujx h GLN 57 Cb 0.73 -0.03 -0.16 0.00 1.07 0.00 0.00 27.48 29.09 1ujx h GLN 57 CO 0.67 0.77 -0.38 0.14 -2.65 0.00 0.00 178.83 177.38 1ujx s VAL 58 N -4.77 0.13 -0.38 2.39 -7.23 -1.26 -1.68 120.40 107.59 1ujx s VAL 58 Ca -0.13 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1ujx s VAL 58 Cb 0.08 -1.12 0.10 0.00 0.56 0.00 0.00 36.38 36.00 1ujx s VAL 58 CO 0.78 -0.57 0.16 -0.70 -0.31 0.00 0.00 175.10 174.46 1ujx s GLU 59 N -3.20 1.99 0.29 4.82 2.12 0.29 -2.31 118.70 122.71 1ujx s GLU 59 Ca -0.00 -1.75 -0.24 0.00 0.36 0.00 0.00 54.97 53.33 1ujx s GLU 59 Cb 0.02 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 1ujx s GLU 59 CO -0.07 -0.99 0.88 -0.51 -0.54 0.00 0.00 175.26 174.02 1ujx s LEU 60 N 1.13 4.35 -0.13 2.70 1.43 -1.07 -2.45 118.68 124.65 1ujx s LEU 60 Ca 0.07 1.72 -0.04 0.00 -1.03 0.00 0.00 54.13 54.85 1ujx s LEU 60 Cb -0.22 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.18 1ujx s LEU 60 CO -0.04 -0.03 0.10 -0.63 0.23 0.00 0.00 176.35 175.98 1ujx s ILE 61 N -1.57 -0.14 -0.03 -0.59 1.01 -0.52 0.40 121.20 119.77 1ujx s ILE 61 Ca 0.48 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1ujx s ILE 61 Cb -0.18 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1ujx s ILE 61 CO 0.23 -0.10 1.22 0.00 0.00 0.00 0.00 174.94 176.30 1ujx s ALA 62 N 2.18 3.48 -0.54 9.38 0.00 -1.25 -1.80 121.76 133.21 1ujx s ALA 62 Ca 0.03 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1ujx s ALA 62 Cb -0.14 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.61 1ujx s ALA 62 CO -0.07 -0.71 0.33 -0.51 0.00 0.00 0.00 175.76 174.80 1ujx s ASP 63 N 1.44 4.00 0.00 0.00 1.11 0.09 -4.55 116.67 118.76 1ujx s ASP 63 Ca 0.57 -3.16 0.21 0.00 0.18 0.00 0.00 52.55 50.35 1ujx s ASP 63 Cb -0.26 -1.34 1.26 0.00 1.07 0.00 0.00 42.92 43.65 1ujx s ASP 63 CO 0.24 -0.19 1.67 -0.81 1.18 0.00 0.00 175.17 177.26 1ujx n PRO 64 N 2.86 0.75 0.16 8.23 -0.04 -1.26 -0.87 135.00 144.84 1ujx n PRO 64 Ca 0.13 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1ujx n PRO 64 Cb 0.35 -1.44 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.00 0.00 0.54 5.08 -1.92 -3.34 114.58 114.94 1ujx h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ujx h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ujx h GLU 65 CO 0.00 0.46 -0.30 0.43 -1.00 0.00 0.00 179.01 178.60 1ujx n SER 66 N -3.37 0.00 -3.67 1.42 7.64 -1.10 -5.02 113.62 109.52 1ujx n SER 66 Ca 0.01 -1.60 -0.28 0.00 1.01 0.00 0.00 58.87 58.02 1ujx n SER 66 Cb 0.63 -0.12 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 -2.15 -4.30 1.43 1.74 -0.14 -4.99 116.66 108.26 1ujx n ARG 67 Ca 0.00 0.52 -0.18 0.00 -0.77 0.00 0.00 57.85 57.41 1ujx n ARG 67 Cb 0.62 -4.51 -0.09 0.00 -1.02 0.00 0.00 32.46 27.47 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ujx s THR 68 N -3.55 0.12 -0.10 0.55 -4.23 -0.04 -4.11 115.64 104.28 1ujx s THR 68 Ca 0.34 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1ujx s THR 68 Cb -0.11 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1ujx s THR 68 CO 0.84 0.00 0.24 -0.69 -0.54 0.00 0.00 174.62 174.48 1ujx s VAL 69 N -3.60 -0.01 -0.12 2.29 1.01 -0.12 -0.73 120.40 119.12 1ujx s VAL 69 Ca 0.38 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 1ujx s VAL 69 Cb 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1ujx s VAL 69 CO 0.21 0.02 0.12 0.00 0.00 0.00 0.00 175.10 175.45 1ujx s ALA 70 N 0.49 3.77 -0.19 5.51 0.00 -0.75 0.19 121.76 130.78 1ujx s ALA 70 Ca -0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1ujx s ALA 70 Cb -0.04 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.22 1ujx s ALA 70 CO -0.03 0.58 -0.05 0.08 0.00 0.00 0.00 175.76 176.35 1ujx s VAL 71 N -0.91 1.22 -0.25 0.00 1.01 -0.05 -1.44 120.40 119.98 1ujx s VAL 71 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1ujx s VAL 71 Cb -0.12 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1ujx s VAL 71 CO 0.03 0.05 -0.02 -0.75 0.00 0.00 0.00 175.10 174.41 1ujx s LYS 72 N 1.57 3.08 -0.14 2.72 2.20 -1.02 -0.42 119.74 127.73 1ujx s LYS 72 Ca -0.01 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 1ujx s LYS 72 Cb -0.16 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1ujx s LYS 72 CO -0.07 -0.34 1.46 -1.14 -0.36 0.00 0.00 175.35 174.89 1ujx s GLN 73 N 1.42 4.14 -0.00 4.03 0.74 -0.93 -0.54 119.66 128.51 1ujx s GLN 73 Ca 0.03 1.84 0.01 0.00 0.05 0.00 0.00 55.36 57.29 1ujx s GLN 73 Cb -0.16 -3.89 0.01 0.00 1.10 0.00 0.00 33.01 30.07 1ujx s GLN 73 CO -0.02 -0.86 0.95 1.28 -0.55 0.00 0.00 175.29 176.09 1ujx n LEU 74 N 7.10 1.77 0.00 3.68 4.77 -0.68 -2.19 117.00 131.45 1ujx n LEU 74 Ca 0.16 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1ujx n LEU 74 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ujx n LEU 74 CO 0.60 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1ujx n GLY 75 N -0.47 2.03 0.92 -0.72 0.00 -0.98 -4.77 105.19 101.20 1ujx n GLY 75 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 -2.20 1.61 3.14 -1.26 -4.82 118.33 114.81 1ujx n VAL 76 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1ujx n VAL 76 Cb 0.00 -1.42 -0.02 0.00 -1.06 0.00 0.00 33.84 31.34 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 -4.92 6.63 0.03 6.55 0.01 -1.26 -4.69 114.94 117.28 1ujx s ASN 77 Ca 0.00 2.52 -0.30 0.00 -0.71 0.00 0.00 52.86 54.37 1ujx s ASN 77 Cb 0.00 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1ujx s ASN 77 CO 0.00 -0.62 1.18 -2.16 -1.51 0.00 0.00 177.10 174.00 1ujx s PRO 78 N -2.03 4.42 0.27 -0.60 0.04 -1.26 -4.88 135.00 130.96 1ujx s PRO 78 Ca 0.53 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1ujx s PRO 78 Cb -0.36 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 1ujx s PRO 78 CO 0.46 -0.29 0.42 -1.12 0.04 0.00 0.00 177.00 176.52 1ujx s SER 79 N 1.17 6.32 -0.22 6.66 0.01 -1.26 -4.65 113.70 121.73 1ujx s SER 79 Ca 0.58 0.24 -0.01 0.00 1.31 0.00 0.00 55.95 58.06 1ujx s SER 79 Cb -0.28 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.03 1ujx s SER 79 CO 0.27 -0.14 -0.10 -0.89 0.41 0.00 0.00 173.24 172.79 1ujx s THR 80 N -2.07 2.73 -1.13 1.44 2.01 -1.22 0.20 115.64 117.60 1ujx s THR 80 Ca 0.37 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1ujx s THR 80 Cb -0.10 -2.29 0.27 0.00 0.01 0.00 0.00 72.50 70.40 1ujx s THR 80 CO 0.31 0.35 1.23 0.52 -0.69 0.00 0.00 174.62 176.35 1ujx n VAL 81 N 4.68 4.65 0.00 3.82 0.31 -0.23 -1.27 118.33 130.29 1ujx n VAL 81 Ca -0.18 -5.37 0.00 0.00 -0.01 0.00 0.00 64.34 58.78 1ujx n VAL 81 Cb 0.49 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1ujx n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ujx n GLY 82 N 2.64 0.70 0.26 2.92 0.00 0.12 -3.93 105.19 107.90 1ujx n GLY 82 Ca 0.26 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.73 1.61 3.14 -1.26 -4.77 118.33 113.00 1ujx n VAL 83 Ca 0.00 -0.79 -0.25 0.00 -2.96 0.00 0.00 64.34 60.33 1ujx n VAL 83 Cb 0.00 0.33 -0.15 0.00 -1.06 0.00 0.00 33.84 32.96 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 -0.99 1.42 -0.05 1.45 0.74 -1.25 -5.13 119.66 115.86 1ujx s GLN 84 Ca 0.10 -0.85 -0.19 0.00 0.05 0.00 0.00 55.36 54.47 1ujx s GLN 84 Cb 0.09 -1.48 -0.05 0.00 1.10 0.00 0.00 33.01 32.67 1ujx s GLN 84 CO 0.01 0.39 0.53 -2.00 -0.55 0.00 0.00 175.29 173.67 1ujx s GLU 85 N -0.93 4.28 0.21 1.67 2.12 -1.26 -1.06 118.70 123.72 1ujx s GLU 85 Ca 0.07 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1ujx s GLU 85 Cb -0.08 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1ujx s GLU 85 CO 0.01 0.31 0.28 1.28 -0.54 0.00 0.00 175.26 176.60 1ujx n LEU 86 N 3.03 0.00 -4.12 2.70 4.77 0.53 -4.94 117.00 118.96 1ujx n LEU 86 Ca -0.07 -0.62 -0.12 0.00 -0.03 0.00 0.00 56.01 55.17 1ujx n LEU 86 Cb 0.51 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1ujx n LEU 86 CO 0.43 -0.64 -0.03 -0.54 -1.33 0.00 0.00 177.39 175.29 1ujx s LYS 87 N -3.14 1.48 -0.36 3.23 1.02 -1.26 -4.37 119.74 116.35 1ujx s LYS 87 Ca 0.19 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 1ujx s LYS 87 Cb -0.01 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1ujx s LYS 87 CO 0.13 -0.56 1.38 -1.25 -0.92 0.00 0.00 175.35 174.13 1ujx s PRO 88 N -3.87 3.71 0.00 -1.68 0.04 -1.26 -2.20 135.00 129.74 1ujx s PRO 88 Ca 0.32 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1ujx s PRO 88 Cb 0.03 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1ujx s PRO 88 CO 0.14 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1ujx n GLY 89 N 4.77 0.72 3.97 0.56 0.00 -0.93 -5.07 105.19 109.21 1ujx n GLY 89 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ujx n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujx s LEU 90 N 0.00 2.85 -0.25 0.99 2.96 -0.94 -4.89 118.68 119.41 1ujx s LEU 90 Ca 0.00 -0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 1ujx s LEU 90 Cb 0.00 -1.91 0.07 0.00 0.50 0.00 0.00 46.19 44.85 1ujx s LEU 90 CO 0.00 -2.40 0.63 -0.44 -1.32 0.00 0.00 176.35 172.82 1ujx s SER 91 N -4.87 -0.80 0.08 3.68 0.01 -1.26 -2.19 113.70 108.36 1ujx s SER 91 Ca 0.72 1.35 0.01 0.00 1.31 0.00 0.00 55.95 59.34 1ujx s SER 91 Cb -0.03 1.26 -0.00 0.00 0.21 0.00 0.00 66.02 67.45 1ujx s SER 91 CO 0.49 -0.23 0.04 0.61 0.41 0.00 0.00 173.24 174.56 1ujx n GLY 92 N 3.87 3.89 3.20 3.44 0.00 0.44 -4.97 105.19 115.06 1ujx n GLY 92 Ca -0.19 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.53 1.74 -0.09 1.61 1.04 -1.26 -0.87 113.70 114.34 1ujx s SER 93 Ca 0.05 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1ujx s SER 93 Cb 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1ujx s SER 93 CO 0.04 -0.15 -0.17 -0.76 0.98 0.00 0.00 173.24 173.18 1ujx s LEU 94 N -2.19 1.80 0.14 2.42 1.02 0.50 -4.92 118.68 117.44 1ujx s LEU 94 Ca 0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 1ujx s LEU 94 Cb -0.06 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 45.01 1ujx s LEU 94 CO 0.02 0.06 0.34 -0.44 0.02 0.00 0.00 176.35 176.36 1ujx s SER 95 N 0.68 6.43 -0.46 2.29 0.01 -1.26 -0.95 113.70 120.44 1ujx s SER 95 Ca -0.13 0.47 -0.38 0.00 1.31 0.00 0.00 55.95 57.22 1ujx s SER 95 Cb -0.16 -2.04 -0.15 0.00 0.21 0.00 0.00 66.02 63.88 1ujx s SER 95 CO 0.03 0.05 2.21 0.18 0.41 0.00 0.00 173.24 176.13 1ujx n LEU 96 N -0.06 1.46 0.00 2.44 4.77 -1.26 0.14 117.00 124.49 1ujx n LEU 96 Ca -0.04 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1ujx n LEU 96 Cb 0.52 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ujx n LEU 96 CO 0.49 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1ujx n GLY 97 N 6.91 2.51 3.45 -0.72 0.00 -0.95 -5.00 105.19 111.40 1ujx n GLY 97 Ca 0.48 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 0.17 -1.26 -4.94 1.61 9.92 0.37 -4.36 116.55 118.05 1ujx n ASP 98 Ca 0.00 0.67 -0.21 0.00 -0.53 0.00 0.00 54.79 54.72 1ujx n ASP 98 Cb 0.00 -1.17 -0.02 0.00 -0.64 0.00 0.00 41.12 39.29 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 -1.80 4.97 -0.39 2.53 1.01 -1.26 -2.31 120.40 123.16 1ujx s VAL 99 Ca 0.67 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1ujx s VAL 99 Cb -0.41 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.40 1ujx s VAL 99 CO 0.56 -0.31 0.30 -0.22 0.00 0.00 0.00 175.10 175.43 1ujx s LEU 100 N -3.97 1.07 -0.54 3.92 2.96 -1.18 0.12 118.68 121.06 1ujx s LEU 100 Ca 0.35 -2.61 -0.26 0.00 -0.22 0.00 0.00 54.13 51.39 1ujx s LEU 100 Cb -0.09 -0.30 -0.07 0.00 0.50 0.00 0.00 46.19 46.23 1ujx s LEU 100 CO 0.28 -0.23 2.32 -0.31 -1.32 0.00 0.00 176.35 177.10 1ujx s TYR 101 N 0.55 1.17 0.15 5.38 2.02 -0.40 -2.33 117.35 123.89 1ujx s TYR 101 Ca 0.26 1.48 -0.24 0.00 -0.37 0.00 0.00 57.07 58.20 1ujx s TYR 101 Cb -0.08 -3.65 -0.01 0.00 -0.40 0.00 0.00 41.96 37.83 1ujx s TYR 101 CO -0.10 -2.41 1.29 -0.11 -1.57 0.00 0.00 175.55 172.64 1ujx n LEU 102 N 15.67 -0.82 -3.84 -1.29 0.00 -0.72 -3.41 117.00 122.58 1ujx n LEU 102 Ca 0.35 1.48 -0.07 0.00 0.00 0.00 0.00 56.01 57.77 1ujx n LEU 102 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 43.42 43.73 1ujx n LEU 102 CO 0.70 -1.23 0.51 0.54 0.00 0.00 0.00 177.39 177.90 1ujx s VAL 103 N -5.49 0.00 -1.74 1.96 0.11 -1.23 -4.69 120.40 109.32 1ujx s VAL 103 Ca -0.10 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.84 1ujx s VAL 103 Cb 0.11 -2.22 0.13 0.00 -1.53 0.00 0.00 36.38 32.87 1ujx s VAL 103 CO 0.53 0.00 0.34 0.59 -3.33 0.00 0.00 175.10 173.23 1ujx n ASN 104 N -0.69 -0.62 -2.25 3.54 5.03 -1.26 0.19 115.26 119.20 1ujx n ASN 104 Ca -0.05 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1ujx n ASN 104 Cb 0.59 -1.60 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ujx n GLY 105 N -1.73 -0.42 0.77 7.41 0.00 -1.26 -4.82 105.19 105.14 1ujx n GLY 105 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.24 0.00 -3.99 0.99 4.77 0.50 -4.86 117.00 112.16 1ujx n LEU 106 Ca 0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 1ujx n LEU 106 Cb 0.42 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1ujx n LEU 106 CO 0.00 -0.10 -0.17 -1.22 -1.33 0.00 0.00 177.39 174.58 1ujx n TYR 107 N -0.26 -1.55 -2.48 -1.77 4.01 -1.26 -2.21 117.16 111.64 1ujx n TYR 107 Ca -0.04 0.23 -0.41 0.00 -0.16 0.00 0.00 57.90 57.51 1ujx n TYR 107 Cb 0.14 -2.85 -0.04 0.00 -0.31 0.00 0.00 39.34 36.28 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 -6.89 4.54 -0.54 -0.72 0.04 -1.26 -1.76 135.00 128.42 1ujx s PRO 108 Ca 0.41 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1ujx s PRO 108 Cb -0.22 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.16 1ujx s PRO 108 CO 0.95 -0.03 0.35 -0.51 0.04 0.00 0.00 177.00 177.80 1ujx s LEU 109 N 0.05 5.35 0.08 -3.56 2.01 -0.98 -4.37 118.68 117.26 1ujx s LEU 109 Ca 0.52 -2.44 -0.31 0.00 0.01 0.00 0.00 54.13 51.91 1ujx s LEU 109 Cb -0.29 -1.88 -0.07 0.00 0.01 0.00 0.00 46.19 43.96 1ujx s LEU 109 CO 0.33 -0.48 1.40 -0.89 1.01 0.00 0.00 176.35 177.72 1ujx s THR 110 N 0.55 3.42 0.24 5.49 2.01 -1.19 -3.07 115.64 123.08 1ujx s THR 110 Ca 0.12 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 1ujx s THR 110 Cb -0.21 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 1ujx s THR 110 CO -0.04 0.05 1.07 -0.22 -0.69 0.00 0.00 174.62 174.80 1ujx s LEU 111 N 1.48 4.55 0.02 4.42 2.96 -0.98 0.07 118.68 131.19 1ujx s LEU 111 Ca 0.65 2.15 -0.02 0.00 -0.22 0.00 0.00 54.13 56.69 1ujx s LEU 111 Cb -0.35 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.71 1ujx s LEU 111 CO 0.29 -0.11 0.02 -0.13 -1.32 0.00 0.00 176.35 175.10 1ujx s ARG 112 N -1.05 0.37 -0.02 1.98 1.81 0.24 -2.24 118.95 120.05 1ujx s ARG 112 Ca 0.45 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.96 1ujx s ARG 112 Cb -0.30 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.32 1ujx s ARG 112 CO 0.37 -0.07 -0.25 -0.46 -0.68 0.00 0.00 175.30 174.21 1ujx s TRP 113 N -1.55 2.36 -0.13 -0.53 -0.11 -1.26 0.41 118.94 118.13 1ujx s TRP 113 Ca -0.15 -0.41 -0.17 0.00 1.22 0.00 0.00 56.10 56.58 1ujx s TRP 113 Cb -0.09 -1.51 -0.04 0.00 -1.50 0.00 0.00 33.47 30.33 1ujx s TRP 113 CO -0.01 -0.01 0.45 0.45 -4.62 0.00 0.00 176.95 173.21 1ujx s SER 114 N -0.65 6.64 0.00 5.86 0.15 -0.17 -4.97 113.70 120.56 1ujx s SER 114 Ca 0.10 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1ujx s SER 114 Cb -0.10 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ujx s SER 114 CO -0.01 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1ujx n GLY 115 N 3.32 5.23 3.56 9.45 0.00 -1.26 -3.59 105.19 121.89 1ujx n GLY 115 Ca -0.08 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 3.28 3.04 -0.13 1.61 0.04 -1.26 -4.90 135.00 136.69 1ujx s PRO 116 Ca 0.00 -0.50 -0.06 0.00 0.04 0.00 0.00 61.00 60.48 1ujx s PRO 116 Cb 0.00 -4.99 0.05 0.00 0.04 0.00 0.00 34.50 29.60 1ujx s PRO 116 CO 0.00 -2.70 0.30 -1.54 0.04 0.00 0.00 177.00 173.10 1ujx s SER 117 N 6.32 -0.25 -0.30 6.66 1.04 -1.26 -5.14 113.70 120.78 1ujx s SER 117 Ca 0.56 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 57.47 1ujx s SER 117 Cb -0.05 0.57 0.19 0.00 0.10 0.00 0.00 66.02 66.82 1ujx s SER 117 CO 0.00 -0.18 1.16 -0.55 0.98 0.00 0.00 173.24 174.65 1ujx s SER 118 N 1.49 -0.24 0.00 7.02 0.15 -1.26 -5.22 113.70 115.63 1ujx s SER 118 Ca -0.08 0.37 0.29 0.00 0.70 0.00 0.00 55.95 57.23 1ujx s SER 118 Cb -0.10 1.17 1.75 0.00 -1.71 0.00 0.00 66.02 67.14 1ujx s SER 118 CO -0.10 -0.06 2.09 0.61 1.20 0.00 0.00 173.24 176.98