#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 -0.68 -0.26 1.61 1.04 -1.26 -5.14 113.70 109.01 1ujx s SER 2 Ca 0.00 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.59 1ujx s SER 2 Cb 0.00 1.25 0.06 0.00 0.10 0.00 0.00 66.02 67.43 1ujx s SER 2 CO 0.00 -0.18 -0.11 -0.55 0.98 0.00 0.00 173.24 173.38 1ujx s SER 3 N 1.25 4.42 -0.47 7.02 0.15 -1.26 -5.02 113.70 119.79 1ujx s SER 3 Ca -0.07 -1.38 0.06 0.00 0.70 0.00 0.00 55.95 55.25 1ujx s SER 3 Cb -0.04 -1.55 0.18 0.00 -1.71 0.00 0.00 66.02 62.90 1ujx s SER 3 CO -0.15 -0.19 0.58 -0.83 1.20 0.00 0.00 173.24 173.85 1ujx s GLY 4 N 1.11 -0.36 -0.12 9.45 0.00 -1.26 -5.12 107.32 111.01 1ujx s GLY 4 Ca -0.09 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.27 1ujx s GLY 4 CO -0.05 3.09 0.78 -1.35 0.00 0.00 0.00 173.10 175.57 1ujx s SER 5 N 0.65 6.98 -0.38 1.64 1.04 -1.26 -5.00 113.70 117.38 1ujx s SER 5 Ca 0.30 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.98 1ujx s SER 5 Cb 0.00 -2.44 0.18 0.00 0.10 0.00 0.00 66.02 63.86 1ujx s SER 5 CO -0.10 -0.27 0.56 -0.94 0.98 0.00 0.00 173.24 173.47 1ujx s SER 6 N 1.02 -0.95 -0.38 7.02 1.04 -1.26 -5.09 113.70 115.11 1ujx s SER 6 Ca 0.38 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1ujx s SER 6 Cb -0.17 1.67 0.16 0.00 0.10 0.00 0.00 66.02 67.78 1ujx s SER 6 CO 0.16 -0.22 0.39 -0.83 0.98 0.00 0.00 173.24 173.72 1ujx s GLY 7 N 1.96 -0.08 -0.50 7.32 0.00 -1.26 -5.11 107.32 109.65 1ujx s GLY 7 Ca 0.15 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 1ujx s GLY 7 CO -0.11 2.79 1.14 -0.29 0.00 0.00 0.00 173.10 176.63 1ujx s MET 8 N 1.41 3.67 -0.30 2.90 1.75 -1.26 -4.94 119.30 122.54 1ujx s MET 8 Ca 0.17 0.48 -0.15 0.00 -1.25 0.00 0.00 55.69 54.95 1ujx s MET 8 Cb -0.15 -3.93 0.17 0.00 2.84 0.00 0.00 34.83 33.76 1ujx s MET 8 CO -0.03 -1.44 0.99 -1.54 -0.65 0.00 0.00 175.02 172.36 1ujx s SER 9 N 2.55 -0.57 -0.30 1.11 1.04 -1.26 -5.16 113.70 111.11 1ujx s SER 9 Ca 0.47 0.74 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 1ujx s SER 9 Cb -0.07 1.63 0.21 0.00 0.10 0.00 0.00 66.02 67.89 1ujx s SER 9 CO 0.31 -0.11 1.26 -1.58 0.98 0.00 0.00 173.24 174.10 1ujx s GLN 10 N 2.49 0.05 -0.07 4.02 -0.44 -1.26 -5.07 119.66 119.38 1ujx s GLN 10 Ca -0.02 0.09 -0.12 0.00 -2.50 0.00 0.00 55.36 52.81 1ujx s GLN 10 Cb -0.06 0.02 -0.08 0.00 -1.64 0.00 0.00 33.01 31.25 1ujx s GLN 10 CO -0.17 -0.01 0.47 -0.07 0.50 0.00 0.00 175.29 176.01 1ujx h LEU 11 N 5.69 -0.22 0.00 3.68 3.38 -2.05 -3.50 115.31 122.28 1ujx h LEU 11 Ca -0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ujx h LEU 11 Cb 1.15 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ujx h LEU 11 CO 0.19 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1ujx n GLY 12 N 0.99 -0.29 3.47 0.83 0.00 -1.26 -5.13 105.19 103.79 1ujx n GLY 12 Ca -0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1ujx n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 13 N -4.00 3.73 0.00 1.61 0.01 -1.26 -5.01 113.70 108.78 1ujx s SER 13 Ca 0.00 -0.65 0.30 0.00 1.31 0.00 0.00 55.95 56.91 1ujx s SER 13 Cb 0.00 -0.44 1.53 0.00 0.21 0.00 0.00 66.02 67.32 1ujx s SER 13 CO 0.00 0.16 2.05 0.54 0.41 0.00 0.00 173.24 176.40 1ujx n ARG 14 N 0.65 0.54 0.00 12.44 5.12 -1.26 -4.92 116.66 129.23 1ujx n ARG 14 Ca -0.15 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1ujx n ARG 14 Cb 0.54 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1ujx n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujx n GLY 15 N 1.25 -0.64 3.18 -0.13 0.00 -1.26 -4.64 105.19 102.96 1ujx n GLY 15 Ca 0.16 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1ujx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 16 N -2.00 0.32 0.17 1.61 1.81 -1.20 -4.84 118.95 114.81 1ujx s ARG 16 Ca 0.00 0.67 -0.26 0.00 -1.72 0.00 0.00 55.73 54.42 1ujx s ARG 16 Cb 0.00 -0.06 -0.08 0.00 -0.45 0.00 0.00 34.95 34.36 1ujx s ARG 16 CO 0.00 -0.16 0.79 -0.51 -0.68 0.00 0.00 175.30 174.74 1ujx s LEU 17 N 1.29 4.60 -0.10 2.53 1.43 -1.26 0.47 118.68 127.64 1ujx s LEU 17 Ca -0.09 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.37 1ujx s LEU 17 Cb -0.09 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 42.92 1ujx s LEU 17 CO -0.10 0.20 0.86 -1.66 0.23 0.00 0.00 176.35 175.88 1ujx s TRP 18 N -1.12 -0.48 0.17 0.29 1.48 -0.73 -2.04 118.94 116.52 1ujx s TRP 18 Ca 0.36 0.77 -0.14 0.00 -1.06 0.00 0.00 56.10 56.03 1ujx s TRP 18 Cb -0.23 0.45 -0.07 0.00 -1.16 0.00 0.00 33.47 32.45 1ujx s TRP 18 CO 0.27 -0.47 0.57 -0.51 -4.06 0.00 0.00 176.95 172.75 1ujx s LEU 19 N -1.30 4.30 -0.30 -4.66 2.01 -1.16 -0.28 118.68 117.29 1ujx s LEU 19 Ca -0.05 1.09 0.03 0.00 0.01 0.00 0.00 54.13 55.21 1ujx s LEU 19 Cb -0.00 -3.39 0.08 0.00 0.01 0.00 0.00 46.19 42.89 1ujx s LEU 19 CO 0.03 0.06 0.00 -1.58 1.01 0.00 0.00 176.35 175.88 1ujx s GLN 20 N -2.13 1.57 -0.04 1.70 0.74 0.66 -4.01 119.66 118.14 1ujx s GLN 20 Ca 0.40 -1.52 -0.20 0.00 0.05 0.00 0.00 55.36 54.09 1ujx s GLN 20 Cb -0.14 -2.89 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 1ujx s GLN 20 CO 0.20 -0.81 0.58 -1.54 -0.55 0.00 0.00 175.29 173.17 1ujx s SER 21 N 1.11 6.90 -0.08 6.67 1.04 -1.26 -3.41 113.70 124.68 1ujx s SER 21 Ca 0.04 1.08 -0.30 0.00 0.48 0.00 0.00 55.95 57.25 1ujx s SER 21 Cb -0.19 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1ujx s SER 21 CO -0.09 0.04 1.23 -2.16 0.98 0.00 0.00 173.24 173.24 1ujx s PRO 22 N 0.19 4.32 -0.91 4.02 0.04 -1.26 -3.65 135.00 137.74 1ujx s PRO 22 Ca 0.31 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1ujx s PRO 22 Cb -0.17 -3.61 0.12 0.00 0.04 0.00 0.00 34.50 30.87 1ujx s PRO 22 CO 0.16 -0.52 0.29 2.41 0.04 0.00 0.00 177.00 179.38 1ujx n THR 23 N 4.80 0.00 0.07 1.26 -1.04 -1.26 -4.74 114.28 113.38 1ujx n THR 23 Ca 0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1ujx n THR 23 Cb 0.46 -0.24 -0.08 0.00 -1.82 0.00 0.00 70.33 68.65 1ujx n THR 23 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ujx h GLY 24 N -0.42 -0.26 0.00 3.41 0.00 -1.98 -3.49 103.07 100.33 1ujx h GLY 24 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ujx h GLY 24 CO 0.44 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.49 1ujx n GLY 25 N 0.40 3.87 3.81 4.60 0.00 -1.26 -5.01 105.19 111.59 1ujx n GLY 25 Ca -0.08 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 3.41 0.99 1.61 0.04 -1.26 -5.05 135.00 134.73 1ujx s PRO 26 Ca 0.00 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 1ujx s PRO 26 Cb 0.00 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.68 1ujx s PRO 26 CO 0.00 -0.73 1.17 -1.25 0.04 0.00 0.00 177.00 176.23 1ujx s PRO 27 N -4.08 0.51 -0.34 0.56 0.04 -1.26 -4.85 135.00 125.59 1ujx s PRO 27 Ca 0.63 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 1ujx s PRO 27 Cb -0.15 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ujx s PRO 27 CO 0.36 -2.58 1.37 -1.25 0.04 0.00 0.00 177.00 174.95 1ujx s PRO 28 N -5.44 3.76 -0.12 0.56 0.04 -1.26 -4.94 135.00 127.59 1ujx s PRO 28 Ca 0.68 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1ujx s PRO 28 Cb -0.11 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 1ujx s PRO 28 CO 0.54 -1.32 1.17 0.42 0.04 0.00 0.00 177.00 177.84 1ujx s ILE 29 N 4.88 4.40 -0.56 0.56 1.09 -1.26 -4.90 121.20 125.42 1ujx s ILE 29 Ca 0.59 1.70 -0.21 0.00 -1.10 0.00 0.00 60.65 61.63 1ujx s ILE 29 Cb -0.16 -4.10 0.06 0.00 -1.06 0.00 0.00 42.46 37.20 1ujx s ILE 29 CO 0.28 -0.07 0.80 -0.36 -0.10 0.00 0.00 174.94 175.49 1ujx s PHE 30 N 2.72 2.89 0.98 3.97 0.40 -1.26 -2.99 117.98 124.68 1ujx s PHE 30 Ca 0.53 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.31 1ujx s PHE 30 Cb -0.21 -3.91 0.10 0.00 0.51 0.00 0.00 43.02 39.51 1ujx s PHE 30 CO 0.17 -1.28 0.65 1.28 0.70 0.00 0.00 175.22 176.73 1ujx n LEU 31 N 6.89 0.58 -4.79 -0.37 4.77 -0.87 -4.98 117.00 118.24 1ujx n LEU 31 Ca -0.04 0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 1ujx n LEU 31 Cb 0.46 -1.27 0.13 0.00 -2.33 0.00 0.00 43.42 40.41 1ujx n LEU 31 CO 0.59 -3.09 0.72 -2.16 -1.33 0.00 0.00 177.39 172.12 1ujx s PRO 32 N -3.99 1.22 -0.04 3.23 0.04 -1.26 -4.79 135.00 129.42 1ujx s PRO 32 Ca 0.61 0.31 0.06 0.00 0.04 0.00 0.00 61.00 62.02 1ujx s PRO 32 Cb -0.21 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ujx s PRO 32 CO 0.64 -2.14 0.09 -1.13 0.04 0.00 0.00 177.00 174.50 1ujx n SER 33 N -3.73 3.43 -2.65 6.66 3.41 -1.26 -4.26 113.62 115.22 1ujx n SER 33 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.48 1ujx n SER 33 Cb 0.59 1.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 1ujx n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ujx n ASP 34 N -1.98 5.47 -3.03 4.04 9.92 -1.26 -4.61 116.55 125.10 1ujx n ASP 34 Ca -0.06 -2.36 -0.21 0.00 -0.53 0.00 0.00 54.79 51.64 1ujx n ASP 34 Cb 0.43 -1.22 -0.04 0.00 -0.64 0.00 0.00 41.12 39.65 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 3.11 -0.27 3.94 0.44 0.00 -1.26 -4.84 105.19 106.32 1ujx n GLY 35 Ca 0.48 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1ujx n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujx s GLN 36 N -4.53 1.24 -0.13 1.61 -0.21 -1.26 -4.97 119.66 111.40 1ujx s GLN 36 Ca 0.41 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1ujx s GLN 36 Cb -0.24 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 31.77 1ujx s GLN 36 CO 0.50 -1.93 -0.12 0.00 -2.12 0.00 0.00 175.29 171.61 1ujx s ALA 37 N -3.58 1.66 -0.44 6.09 0.00 -1.26 -3.97 121.76 120.26 1ujx s ALA 37 Ca 0.69 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 1ujx s ALA 37 Cb -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ujx s ALA 37 CO 0.49 -0.33 0.34 -1.17 0.00 0.00 0.00 175.76 175.10 1ujx s LEU 38 N 1.44 5.32 0.06 0.00 2.96 0.47 -4.88 118.68 124.06 1ujx s LEU 38 Ca 0.02 -1.08 -0.31 0.00 -0.22 0.00 0.00 54.13 52.55 1ujx s LEU 38 Cb -0.13 -2.17 -0.06 0.00 0.50 0.00 0.00 46.19 44.33 1ujx s LEU 38 CO -0.08 -0.53 1.23 -0.69 -1.32 0.00 0.00 176.35 174.96 1ujx s VAL 39 N 1.66 3.93 0.46 1.68 1.01 -1.26 -1.78 120.40 126.11 1ujx s VAL 39 Ca 0.05 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.48 1ujx s VAL 39 Cb -0.21 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1ujx s VAL 39 CO 0.09 0.10 0.34 -0.76 0.00 0.00 0.00 175.10 174.87 1ujx s LEU 40 N 1.12 3.07 0.00 3.92 1.43 -0.89 -4.96 118.68 122.37 1ujx s LEU 40 Ca 0.60 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1ujx s LEU 40 Cb -0.30 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1ujx s LEU 40 CO 0.29 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1ujx n GLY 41 N -1.56 0.73 3.66 -3.19 0.00 -1.24 -2.24 105.19 101.36 1ujx n GLY 41 Ca 0.01 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 1.22 0.00 1.61 1.74 -1.25 -4.41 116.66 115.57 1ujx n ARG 42 Ca 0.00 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1ujx n ARG 42 Cb 0.00 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 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 1.09 0.91 0.00 -0.13 0.00 -0.52 -4.69 105.19 101.85 1ujx n GLY 43 Ca 0.12 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.27 0.28 0.24 1.61 -0.04 -1.26 -1.61 135.00 132.95 1ujx n PRO 44 Ca 0.00 0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.10 -2.92 1.53 -0.00 -1.87 -3.24 115.31 107.72 1ujx h LEU 45 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1ujx h LEU 45 Cb 0.23 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1ujx h LEU 45 CO 0.00 -0.54 0.00 0.35 -0.00 0.00 0.00 178.44 178.25 1ujx n THR 46 N -4.84 1.06 -1.85 0.22 -2.24 -1.24 -4.74 114.28 100.64 1ujx n THR 46 Ca -0.10 -1.04 -0.20 0.00 -2.27 0.00 0.00 64.05 60.44 1ujx n THR 46 Cb 0.37 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.24 -1.46 -2.89 -0.78 1.13 -0.63 -4.78 117.38 108.21 1ujx n GLN 47 Ca 0.10 1.12 -0.41 0.00 -1.94 0.00 0.00 57.00 55.87 1ujx n GLN 47 Cb 0.41 -5.56 -0.04 0.00 0.11 0.00 0.00 30.24 25.16 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 -2.83 4.93 0.00 5.09 1.01 -1.03 -4.90 120.40 122.68 1ujx s VAL 48 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1ujx s VAL 48 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1ujx s VAL 48 CO 0.00 0.13 0.81 0.35 0.00 0.00 0.00 175.10 176.39 1ujx n THR 49 N 4.22 0.65 -2.24 3.92 -2.24 -1.26 -1.44 114.28 115.88 1ujx n THR 49 Ca 0.03 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 1ujx n THR 49 Cb 0.50 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.65 6.92 0.36 3.42 -1.08 -1.26 -4.91 116.67 119.47 1ujx s ASP 50 Ca 0.00 2.34 0.08 0.00 -0.52 0.00 0.00 52.55 54.45 1ujx s ASP 50 Cb 0.00 -2.60 0.68 0.00 -1.46 0.00 0.00 42.92 39.54 1ujx s ASP 50 CO 0.00 -0.52 1.86 0.03 0.52 0.00 0.00 175.17 177.05 1ujx h ARG 51 N 5.70 0.27 0.00 4.34 2.47 -2.04 -1.09 114.38 124.02 1ujx h ARG 51 Ca -0.44 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1ujx h ARG 51 Cb 1.21 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1ujx h ARG 51 CO 0.79 0.46 0.00 0.87 0.56 0.00 0.00 179.97 182.64 1ujx h LYS 52 N 0.25 0.00 -5.85 0.04 1.79 -2.03 -3.40 116.57 107.37 1ujx h LYS 52 Ca 0.05 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.90 1ujx h LYS 52 Cb 0.48 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1ujx h LYS 52 CO 0.03 0.00 -0.26 0.00 -1.08 0.00 0.00 179.45 178.14 1ujx s SER 54 N -0.72 4.11 0.30 0.00 0.01 -1.26 -4.53 113.70 111.60 1ujx s SER 54 Ca 0.21 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1ujx s SER 54 Cb -0.15 -0.86 0.76 0.00 0.21 0.00 0.00 66.02 65.98 1ujx s SER 54 CO 0.10 0.32 1.47 -1.14 0.41 0.00 0.00 173.24 174.41 1ujx n ARG 55 N 2.05 -0.07 -2.75 12.44 0.63 -1.26 0.34 116.66 128.04 1ujx n ARG 55 Ca -0.17 1.40 -0.32 0.00 -0.92 0.00 0.00 57.85 57.84 1ujx n ARG 55 Cb 0.52 -2.24 -0.01 0.00 0.45 0.00 0.00 32.46 31.17 1ujx n ARG 55 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ujx n ASN 56 N -5.37 5.54 0.14 6.15 0.23 -1.24 -3.62 115.26 117.07 1ujx n ASN 56 Ca 0.23 -3.70 -0.14 0.00 -0.53 0.00 0.00 54.58 50.44 1ujx n ASN 56 Cb 0.76 -0.76 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 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 3.30 -0.31 -4.18 -3.83 5.75 0.35 -2.51 115.11 113.68 1ujx h GLN 57 Ca 0.29 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.69 1ujx h GLN 57 Cb 0.46 0.07 -0.15 0.00 1.07 0.00 0.00 27.48 28.93 1ujx h GLN 57 CO 0.96 -0.07 -0.65 0.14 -2.65 0.00 0.00 178.83 176.57 1ujx s VAL 58 N -5.28 0.21 -0.24 2.39 -7.23 -1.25 -1.04 120.40 107.95 1ujx s VAL 58 Ca -0.15 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1ujx s VAL 58 Cb 0.03 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1ujx s VAL 58 CO 0.61 -0.93 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.74 1ujx s GLU 59 N -3.75 3.20 -0.16 4.82 2.12 0.51 -2.09 118.70 123.35 1ujx s GLU 59 Ca 0.05 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 1ujx s GLU 59 Cb 0.07 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1ujx s GLU 59 CO -0.09 -0.29 0.07 -0.51 -0.54 0.00 0.00 175.26 173.90 1ujx s LEU 60 N 1.44 3.92 -0.10 2.70 1.02 -0.73 -1.53 118.68 125.40 1ujx s LEU 60 Ca 0.04 0.17 -0.00 0.00 0.02 0.00 0.00 54.13 54.36 1ujx s LEU 60 Cb -0.15 -1.98 0.02 0.00 0.02 0.00 0.00 46.19 44.10 1ujx s LEU 60 CO -0.03 0.24 -0.08 -0.63 0.02 0.00 0.00 176.35 175.88 1ujx s ILE 61 N -0.01 0.98 0.17 -0.59 1.01 -0.92 0.18 121.20 122.02 1ujx s ILE 61 Ca 0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1ujx s ILE 61 Cb -0.12 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.28 1ujx s ILE 61 CO 0.01 0.36 1.12 0.00 0.00 0.00 0.00 174.94 176.43 1ujx s ALA 62 N 1.59 3.38 -0.48 9.38 0.00 -1.25 -2.32 121.76 132.06 1ujx s ALA 62 Ca 0.02 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ujx s ALA 62 Cb -0.13 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.78 1ujx s ALA 62 CO -0.07 -0.25 0.32 -0.51 0.00 0.00 0.00 175.76 175.25 1ujx s ASP 63 N -0.01 3.13 0.00 0.00 1.11 0.05 -4.54 116.67 116.41 1ujx s ASP 63 Ca 0.50 -2.98 0.22 0.00 0.18 0.00 0.00 52.55 50.47 1ujx s ASP 63 Cb -0.30 -0.91 1.32 0.00 1.07 0.00 0.00 42.92 44.09 1ujx s ASP 63 CO 0.35 -0.20 1.71 -0.81 1.18 0.00 0.00 175.17 177.40 1ujx n PRO 64 N 3.04 0.75 0.11 8.23 -0.04 -1.26 -0.43 135.00 145.40 1ujx n PRO 64 Ca 0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1ujx n PRO 64 Cb 0.39 -1.46 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.03 0.00 0.54 5.08 -1.92 -3.35 114.58 114.95 1ujx h GLU 65 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ujx h GLU 65 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ujx h GLU 65 CO 0.00 0.76 -0.29 0.43 -1.00 0.00 0.00 179.01 178.91 1ujx n SER 66 N -3.67 0.00 -3.67 1.42 7.64 -1.12 -5.01 113.62 109.21 1ujx n SER 66 Ca -0.01 -1.57 -0.22 0.00 1.01 0.00 0.00 58.87 58.08 1ujx n SER 66 Cb 0.72 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.85 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 -5.39 -4.63 1.43 1.74 0.43 -4.99 116.66 105.25 1ujx n ARG 67 Ca 0.00 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.46 1ujx n ARG 67 Cb 0.61 -5.36 -0.08 0.00 -1.02 0.00 0.00 32.46 26.62 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 -3.56 0.95 -0.20 0.55 -4.23 0.27 -4.04 115.64 105.38 1ujx s THR 68 Ca 0.10 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 1ujx s THR 68 Cb -0.05 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1ujx s THR 68 CO 0.80 0.00 0.49 -0.69 -0.54 0.00 0.00 174.62 174.68 1ujx s VAL 69 N -3.04 -0.02 0.08 2.29 1.01 -0.50 -0.77 120.40 119.46 1ujx s VAL 69 Ca 0.17 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1ujx s VAL 69 Cb 0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.63 1ujx s VAL 69 CO 0.10 0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.64 1ujx s ALA 70 N 1.29 3.71 -0.15 5.51 0.00 -0.98 0.19 121.76 131.32 1ujx s ALA 70 Ca -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1ujx s ALA 70 Cb -0.07 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ujx s ALA 70 CO -0.12 0.55 -0.06 0.08 0.00 0.00 0.00 175.76 176.20 1ujx s VAL 71 N -1.38 1.13 -0.16 0.00 1.01 0.29 -2.16 120.40 119.13 1ujx s VAL 71 Ca 0.33 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1ujx s VAL 71 Cb -0.14 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1ujx s VAL 71 CO 0.18 0.20 -0.17 -0.75 0.00 0.00 0.00 175.10 174.56 1ujx s LYS 72 N 1.63 2.60 -0.26 2.72 2.20 -0.58 0.17 119.74 128.22 1ujx s LYS 72 Ca 0.02 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1ujx s LYS 72 Cb -0.15 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.90 1ujx s LYS 72 CO -0.08 -0.20 1.05 -1.14 -0.36 0.00 0.00 175.35 174.62 1ujx s GLN 73 N 1.34 4.20 0.00 4.03 0.74 -0.95 0.19 119.66 129.21 1ujx s GLN 73 Ca 0.03 1.27 0.05 0.00 0.05 0.00 0.00 55.36 56.77 1ujx s GLN 73 Cb -0.13 -3.67 0.11 0.00 1.10 0.00 0.00 33.01 30.42 1ujx s GLN 73 CO -0.10 -0.72 0.95 1.28 -0.55 0.00 0.00 175.29 176.15 1ujx n LEU 74 N 6.50 2.07 0.00 3.68 4.77 -0.21 -0.65 117.00 133.16 1ujx n LEU 74 Ca 0.12 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1ujx n LEU 74 Cb 0.46 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ujx n LEU 74 CO 0.54 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1ujx n GLY 75 N 0.12 1.78 0.97 -0.72 0.00 -0.70 -4.81 105.19 101.83 1ujx n GLY 75 Ca 0.05 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 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 0.08 -1.83 1.61 3.14 -1.26 -4.74 118.33 115.33 1ujx n VAL 76 Ca 0.00 -0.01 -0.41 0.00 -2.96 0.00 0.00 64.34 60.96 1ujx n VAL 76 Cb 0.00 -1.52 -0.01 0.00 -1.06 0.00 0.00 33.84 31.25 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 -5.11 6.40 -0.02 6.55 -0.87 -1.26 -4.67 114.94 115.97 1ujx s ASN 77 Ca -0.01 2.96 -0.30 0.00 -1.57 0.00 0.00 52.86 53.93 1ujx s ASN 77 Cb 0.01 -2.65 -0.04 0.00 -0.02 0.00 0.00 41.25 38.54 1ujx s ASN 77 CO 0.02 -0.86 1.20 -2.16 -2.57 0.00 0.00 177.10 172.73 1ujx s PRO 78 N -1.30 4.38 0.27 -0.60 0.04 -1.26 -4.88 135.00 131.65 1ujx s PRO 78 Ca 0.57 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1ujx s PRO 78 Cb -0.46 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 1ujx s PRO 78 CO 0.55 -0.38 0.42 -1.12 0.04 0.00 0.00 177.00 176.51 1ujx s SER 79 N 1.36 6.32 -0.15 6.66 0.01 -1.26 -4.59 113.70 122.05 1ujx s SER 79 Ca 0.57 0.24 0.02 0.00 1.31 0.00 0.00 55.95 58.09 1ujx s SER 79 Cb -0.26 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.04 1ujx s SER 79 CO 0.25 -0.14 -0.21 -0.89 0.41 0.00 0.00 173.24 172.65 1ujx s THR 80 N -2.07 2.09 -0.95 1.44 2.01 -1.20 0.19 115.64 117.14 1ujx s THR 80 Ca 0.37 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1ujx s THR 80 Cb -0.10 -1.84 0.24 0.00 0.01 0.00 0.00 72.50 70.81 1ujx s THR 80 CO 0.31 0.55 0.90 -0.69 -0.69 0.00 0.00 174.62 175.00 1ujx s VAL 81 N 0.92 5.36 0.00 3.82 1.01 0.32 -1.16 120.40 130.67 1ujx s VAL 81 Ca -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 61.98 58.70 1ujx s VAL 81 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1ujx s VAL 81 CO -0.04 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.57 1ujx n GLY 82 N 3.01 1.13 0.17 4.51 0.00 -0.02 -3.67 105.19 110.33 1ujx n GLY 82 Ca 0.19 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.75 -4.93 1.61 3.14 -1.26 -4.81 118.33 112.83 1ujx n VAL 83 Ca 0.00 -0.86 -0.27 0.00 -2.96 0.00 0.00 64.34 60.25 1ujx n VAL 83 Cb 0.00 0.39 -0.16 0.00 -1.06 0.00 0.00 33.84 33.01 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 1.81 0.26 1.45 0.74 -1.24 -5.13 119.66 116.51 1ujx s GLN 84 Ca 0.09 -0.67 -0.21 0.00 0.05 0.00 0.00 55.36 54.62 1ujx s GLN 84 Cb 0.08 -1.62 -0.09 0.00 1.10 0.00 0.00 33.01 32.49 1ujx s GLN 84 CO 0.01 0.32 0.78 -2.00 -0.55 0.00 0.00 175.29 173.85 1ujx s GLU 85 N -0.15 4.31 0.14 1.67 2.56 -1.26 -0.52 118.70 125.44 1ujx s GLU 85 Ca -0.00 0.97 0.02 0.00 0.00 0.00 0.00 54.97 55.96 1ujx s GLU 85 Cb -0.10 -2.80 0.02 0.00 2.00 0.00 0.00 34.13 33.24 1ujx s GLU 85 CO 0.01 0.34 0.15 1.28 -0.56 0.00 0.00 175.26 176.48 1ujx n LEU 86 N 0.56 0.00 -4.17 2.70 4.77 0.50 -4.89 117.00 116.47 1ujx n LEU 86 Ca -0.01 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 1ujx n LEU 86 Cb 0.51 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ujx n LEU 86 CO 0.43 -0.45 -0.10 -0.54 -1.33 0.00 0.00 177.39 175.40 1ujx s LYS 87 N -2.60 1.44 -0.32 3.23 1.02 -1.26 -4.39 119.74 116.86 1ujx s LYS 87 Ca 0.11 -1.65 -0.29 0.00 0.02 0.00 0.00 55.97 54.16 1ujx s LYS 87 Cb -0.01 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1ujx s LYS 87 CO 0.07 -0.53 1.36 -1.25 -0.92 0.00 0.00 175.35 174.08 1ujx s PRO 88 N -3.88 3.83 0.00 -1.68 0.04 -1.26 -2.23 135.00 129.82 1ujx s PRO 88 Ca 0.35 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1ujx s PRO 88 Cb 0.04 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1ujx s PRO 88 CO 0.15 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1ujx n GLY 89 N 4.51 0.65 3.96 0.56 0.00 0.17 -5.04 105.19 110.00 1ujx n GLY 89 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 2.81 -0.23 0.99 2.96 -0.95 -4.87 118.68 119.39 1ujx s LEU 90 Ca 0.00 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 1ujx s LEU 90 Cb 0.00 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.77 1ujx s LEU 90 CO 0.00 -2.67 0.59 -0.44 -1.32 0.00 0.00 176.35 172.51 1ujx s SER 91 N -4.92 -0.70 0.00 3.68 0.01 -1.26 -2.25 113.70 108.26 1ujx s SER 91 Ca 0.74 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1ujx s SER 91 Cb -0.03 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1ujx s SER 91 CO 0.52 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1ujx n GLY 92 N 3.54 4.58 3.16 3.44 0.00 0.45 -4.95 105.19 115.41 1ujx n GLY 92 Ca -0.18 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.57 1.39 -0.06 1.61 1.04 -1.26 -0.55 113.70 115.30 1ujx s SER 93 Ca 0.00 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1ujx s SER 93 Cb 0.00 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1ujx s SER 93 CO 0.00 -0.23 -0.10 -0.76 0.98 0.00 0.00 173.24 173.13 1ujx s LEU 94 N -2.24 1.56 0.27 2.42 1.02 0.50 -4.87 118.68 117.34 1ujx s LEU 94 Ca 0.02 -0.25 0.04 0.00 0.02 0.00 0.00 54.13 53.97 1ujx s LEU 94 Cb -0.05 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.42 1ujx s LEU 94 CO 0.00 0.01 0.41 -0.94 0.02 0.00 0.00 176.35 175.85 1ujx s SER 95 N 0.74 6.27 -0.38 2.29 1.04 -1.26 -1.41 113.70 120.99 1ujx s SER 95 Ca -0.14 0.11 -0.32 0.00 0.48 0.00 0.00 55.95 56.09 1ujx s SER 95 Cb -0.15 -1.82 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 1ujx s SER 95 CO 0.03 -0.16 2.26 0.18 0.98 0.00 0.00 173.24 176.53 1ujx n LEU 96 N -1.51 2.26 0.00 2.42 4.77 -1.26 0.28 117.00 123.96 1ujx n LEU 96 Ca -0.07 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1ujx n LEU 96 Cb 0.57 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1ujx n LEU 96 CO 0.45 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1ujx n GLY 97 N 6.32 2.63 3.45 -0.72 0.00 -0.14 -5.00 105.19 111.73 1ujx n GLY 97 Ca 0.40 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 0.16 -1.17 -4.99 1.61 9.92 0.14 -4.32 116.55 117.92 1ujx n ASP 98 Ca 0.00 0.75 -0.19 0.00 -0.53 0.00 0.00 54.79 54.82 1ujx n ASP 98 Cb 0.00 -1.15 -0.00 0.00 -0.64 0.00 0.00 41.12 39.33 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 -1.71 4.03 -0.40 2.53 1.01 -1.26 -2.39 120.40 122.21 1ujx s VAL 99 Ca 0.67 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1ujx s VAL 99 Cb -0.47 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 32.68 1ujx s VAL 99 CO 0.56 -0.16 0.39 -0.22 0.00 0.00 0.00 175.10 175.66 1ujx s LEU 100 N -4.21 0.44 -0.51 3.92 2.96 -0.95 -0.84 118.68 119.50 1ujx s LEU 100 Ca 0.46 -2.26 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 1ujx s LEU 100 Cb -0.10 0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.77 1ujx s LEU 100 CO 0.32 -0.20 2.35 -0.31 -1.32 0.00 0.00 176.35 177.18 1ujx s TYR 101 N 0.78 1.14 0.16 5.38 2.02 -0.31 -2.65 117.35 123.87 1ujx s TYR 101 Ca 0.25 1.49 -0.25 0.00 -0.37 0.00 0.00 57.07 58.19 1ujx s TYR 101 Cb -0.07 -3.64 0.01 0.00 -0.40 0.00 0.00 41.96 37.86 1ujx s TYR 101 CO -0.09 -2.49 1.39 1.28 -1.57 0.00 0.00 175.55 174.07 1ujx n LEU 102 N 15.61 -0.86 -3.82 -1.29 4.77 -0.89 -3.25 117.00 127.27 1ujx n LEU 102 Ca 0.35 1.59 -0.05 0.00 -0.03 0.00 0.00 56.01 57.87 1ujx n LEU 102 Cb 0.55 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1ujx n LEU 102 CO 0.71 -1.33 0.62 0.54 -1.33 0.00 0.00 177.39 176.60 1ujx s VAL 103 N -5.56 0.00 -1.18 4.08 0.11 -1.24 -4.62 120.40 112.00 1ujx s VAL 103 Ca -0.11 -0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 1ujx s VAL 103 Cb 0.12 -2.30 0.11 0.00 -1.53 0.00 0.00 36.38 32.78 1ujx s VAL 103 CO 0.58 0.00 0.42 -3.20 -3.33 0.00 0.00 175.10 169.57 1ujx n ASN 104 N -0.76 -2.55 -1.53 3.54 2.85 -1.26 0.14 115.26 115.68 1ujx n ASN 104 Ca -0.05 -0.45 -0.07 0.00 -0.11 0.00 0.00 54.58 53.90 1ujx n ASN 104 Cb 0.60 -2.18 -0.02 0.00 1.24 0.00 0.00 39.78 39.42 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 -0.99 0.35 0.30 8.20 0.00 -1.26 -4.85 105.19 106.93 1ujx n GLY 105 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.77 0.00 -3.95 0.99 4.77 0.37 -4.84 117.00 112.56 1ujx n LEU 106 Ca -0.07 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 1ujx n LEU 106 Cb 0.31 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1ujx n LEU 106 CO 0.10 -0.07 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.73 1ujx n TYR 107 N -0.18 -1.56 -2.47 -1.77 4.01 -1.26 -2.50 117.16 111.43 1ujx n TYR 107 Ca -0.01 0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 1ujx n TYR 107 Cb 0.05 -2.99 -0.03 0.00 -0.31 0.00 0.00 39.34 36.06 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 -6.97 4.49 -0.32 -0.72 0.04 -1.26 -2.11 135.00 128.15 1ujx s PRO 108 Ca 0.49 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 108 Cb -0.24 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.01 1ujx s PRO 108 CO 0.94 -0.13 0.08 -0.51 0.04 0.00 0.00 177.00 177.41 1ujx s LEU 109 N 0.55 4.16 -0.01 -3.56 2.01 -1.08 -4.68 118.68 116.07 1ujx s LEU 109 Ca 0.55 -1.12 -0.29 0.00 0.01 0.00 0.00 54.13 53.28 1ujx s LEU 109 Cb -0.29 -1.83 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 1ujx s LEU 109 CO 0.31 -0.30 0.94 -0.89 1.01 0.00 0.00 176.35 177.43 1ujx s THR 110 N 1.38 4.88 -0.19 5.49 2.01 -1.22 -2.24 115.64 125.76 1ujx s THR 110 Ca -0.02 1.97 -0.28 0.00 0.31 0.00 0.00 61.69 63.67 1ujx s THR 110 Cb -0.19 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 1ujx s THR 110 CO 0.02 0.18 0.98 -0.22 -0.69 0.00 0.00 174.62 174.89 1ujx s LEU 111 N 0.95 4.15 0.29 4.42 2.96 -1.01 -0.25 118.68 130.20 1ujx s LEU 111 Ca 0.50 1.36 0.10 0.00 -0.22 0.00 0.00 54.13 55.87 1ujx s LEU 111 Cb -0.21 -3.47 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1ujx s LEU 111 CO 0.27 -0.55 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.46 1ujx s ARG 112 N 2.68 1.69 -0.04 1.98 1.81 0.61 -0.97 118.95 126.71 1ujx s ARG 112 Ca 0.43 -1.81 0.01 0.00 -1.72 0.00 0.00 55.73 52.65 1ujx s ARG 112 Cb -0.16 -1.65 0.02 0.00 -0.45 0.00 0.00 34.95 32.71 1ujx s ARG 112 CO 0.10 0.23 -0.06 -0.46 -0.68 0.00 0.00 175.30 174.44 1ujx s TRP 113 N -2.62 0.80 0.31 -0.53 -0.11 -1.26 -1.77 118.94 113.77 1ujx s TRP 113 Ca 0.30 -0.22 -0.27 0.00 1.22 0.00 0.00 56.10 57.13 1ujx s TRP 113 Cb -0.02 -0.67 -0.09 0.00 -1.50 0.00 0.00 33.47 31.19 1ujx s TRP 113 CO 0.15 -0.17 0.99 0.45 -4.62 0.00 0.00 176.95 173.74 1ujx s SER 114 N 0.72 7.29 -0.14 5.86 0.15 0.18 -4.83 113.70 122.92 1ujx s SER 114 Ca -0.10 1.97 -0.19 0.00 0.70 0.00 0.00 55.95 58.33 1ujx s SER 114 Cb -0.13 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1ujx s SER 114 CO 0.01 -0.11 0.50 -0.83 1.20 0.00 0.00 173.24 174.01 1ujx s GLY 115 N -1.39 -0.38 0.34 9.45 0.00 -1.26 -3.21 107.32 110.87 1ujx s GLY 115 Ca 0.49 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 46.18 1ujx s GLY 115 CO 0.29 1.02 1.07 2.56 0.00 0.00 0.00 173.10 178.04 1ujx s PRO 116 N -0.21 4.42 0.11 2.90 0.04 -1.26 -4.81 135.00 136.19 1ujx s PRO 116 Ca -0.04 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ujx s PRO 116 Cb -0.03 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1ujx s PRO 116 CO 0.03 0.06 0.00 -1.13 0.04 0.00 0.00 177.00 175.99 1ujx n SER 117 N 0.59 -0.98 -1.96 6.66 3.41 -1.26 -5.14 113.62 114.94 1ujx n SER 117 Ca 0.02 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1ujx n SER 117 Cb 0.47 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1ujx n SER 117 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujx n SER 118 N -2.54 -7.88 0.00 4.04 2.88 -1.26 -5.39 113.62 103.47 1ujx n SER 118 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1ujx n SER 118 Cb 0.00 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42