#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 -7.52 0.16 1.61 7.64 -1.26 -5.02 113.62 109.22 1ujx n SER 2 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1ujx n SER 2 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1ujx n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujx n SER 3 N -4.16 -0.88 0.00 6.43 2.88 -1.26 -5.18 113.62 111.46 1ujx n SER 3 Ca -0.07 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ujx n SER 3 Cb 0.63 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 4 N 0.98 -1.95 3.23 0.46 0.00 -1.26 -4.94 105.19 101.71 1ujx n GLY 4 Ca 0.00 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.05 -3.84 -0.01 1.61 2.88 -1.26 -4.97 113.62 105.97 1ujx n SER 5 Ca 0.00 0.27 -0.05 0.00 -1.33 0.00 0.00 58.87 57.76 1ujx n SER 5 Cb 0.00 -1.01 -0.02 0.00 -0.75 0.00 0.00 64.21 62.44 1ujx n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujx n SER 6 N 0.84 1.34 0.00 -3.46 2.88 -1.26 -5.16 113.62 108.81 1ujx n SER 6 Ca 0.03 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1ujx n SER 6 Cb 0.55 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 2.61 0.04 1.57 0.46 0.00 -1.26 -5.05 105.19 103.56 1ujx n GLY 7 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -3.28 1.61 2.81 -1.26 -5.00 117.12 112.00 1ujx n MET 8 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 1ujx n MET 8 Cb 0.00 -0.22 -0.06 0.00 -0.71 0.00 0.00 33.22 32.23 1ujx n MET 8 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1ujx s SER 9 N -5.26 6.18 -0.40 7.83 1.04 -1.26 -4.94 113.70 116.89 1ujx s SER 9 Ca 0.00 -1.58 0.06 0.00 0.48 0.00 0.00 55.95 54.92 1ujx s SER 9 Cb 0.00 -2.23 0.17 0.00 0.10 0.00 0.00 66.02 64.07 1ujx s SER 9 CO 0.00 -0.86 0.55 -1.10 0.98 0.00 0.00 173.24 172.80 1ujx s GLN 10 N 1.87 0.77 -0.02 4.02 1.11 -1.26 -5.03 119.66 121.11 1ujx s GLN 10 Ca 0.05 -0.48 -0.17 0.00 0.01 0.00 0.00 55.36 54.78 1ujx s GLN 10 Cb -0.27 -0.18 -0.09 0.00 -1.01 0.00 0.00 33.01 31.46 1ujx s GLN 10 CO 0.05 -1.20 0.72 -0.07 0.01 0.00 0.00 175.29 174.80 1ujx h LEU 11 N 6.99 -0.51 0.00 2.90 3.38 -2.06 -3.47 115.31 122.54 1ujx h LEU 11 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ujx h LEU 11 Cb 1.14 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ujx h LEU 11 CO 0.13 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1ujx n GLY 12 N 0.19 -1.83 1.38 0.83 0.00 -1.26 -5.13 105.19 99.37 1ujx n GLY 12 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 13 N 0.00 -7.54 -4.60 1.61 2.88 -1.26 -5.00 113.62 99.71 1ujx n SER 13 Ca 0.00 1.02 -0.26 0.00 -1.33 0.00 0.00 58.87 58.30 1ujx n SER 13 Cb 0.00 -3.63 0.12 0.00 -0.75 0.00 0.00 64.21 59.95 1ujx n SER 13 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ujx s ARG 14 N -3.04 1.56 0.90 -1.46 0.52 -1.26 -4.99 118.95 111.18 1ujx s ARG 14 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1ujx s ARG 14 Cb 0.00 -2.17 0.11 0.00 0.52 0.00 0.00 34.95 33.41 1ujx s ARG 14 CO 0.00 -1.63 0.96 0.41 0.02 0.00 0.00 175.30 175.07 1ujx n GLY 15 N -3.08 -0.74 2.97 -3.53 0.00 -1.26 -4.94 105.19 94.61 1ujx n GLY 15 Ca 0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.25 0.13 0.23 1.61 1.81 -1.25 -4.89 118.95 112.35 1ujx s ARG 16 Ca 0.66 0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 54.83 1ujx s ARG 16 Cb -0.24 -0.12 -0.08 0.00 -0.45 0.00 0.00 34.95 34.05 1ujx s ARG 16 CO 0.59 -0.14 0.78 -0.51 -0.68 0.00 0.00 175.30 175.34 1ujx s LEU 17 N 1.01 4.40 -0.06 2.53 1.43 -1.26 -0.82 118.68 125.91 1ujx s LEU 17 Ca -0.08 1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 54.28 1ujx s LEU 17 Cb -0.10 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.62 1ujx s LEU 17 CO -0.06 0.05 0.90 -1.66 0.23 0.00 0.00 176.35 175.81 1ujx s TRP 18 N -1.46 -0.39 0.17 0.29 1.48 -0.96 -1.97 118.94 116.10 1ujx s TRP 18 Ca 0.43 0.45 -0.08 0.00 -1.06 0.00 0.00 56.10 55.84 1ujx s TRP 18 Cb -0.18 0.50 -0.06 0.00 -1.16 0.00 0.00 33.47 32.56 1ujx s TRP 18 CO 0.23 -0.49 0.46 -0.51 -4.06 0.00 0.00 176.95 172.58 1ujx s LEU 19 N -1.89 4.24 -0.36 -4.66 2.01 -1.16 -0.44 118.68 116.41 1ujx s LEU 19 Ca 0.01 0.79 0.03 0.00 0.01 0.00 0.00 54.13 54.97 1ujx s LEU 19 Cb -0.01 -3.43 0.10 0.00 0.01 0.00 0.00 46.19 42.87 1ujx s LEU 19 CO -0.04 0.02 0.08 -1.58 1.01 0.00 0.00 176.35 175.85 1ujx s GLN 20 N -2.59 1.59 0.36 1.70 0.74 0.23 -4.03 119.66 117.67 1ujx s GLN 20 Ca 0.43 -1.89 -0.26 0.00 0.05 0.00 0.00 55.36 53.68 1ujx s GLN 20 Cb -0.12 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.62 1ujx s GLN 20 CO 0.22 -0.97 1.09 -1.54 -0.55 0.00 0.00 175.29 173.54 1ujx s SER 21 N 1.03 6.86 0.94 6.67 1.04 -1.26 -3.84 113.70 125.14 1ujx s SER 21 Ca 0.11 2.18 -0.13 0.00 0.48 0.00 0.00 55.95 58.59 1ujx s SER 21 Cb -0.20 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.47 1ujx s SER 21 CO -0.07 -0.43 1.15 -2.16 0.98 0.00 0.00 173.24 172.72 1ujx s PRO 22 N -2.12 0.87 -1.41 4.02 0.04 -1.26 -3.80 135.00 131.34 1ujx s PRO 22 Ca 0.53 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.61 1ujx s PRO 22 Cb -0.27 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.59 1ujx s PRO 22 CO 0.34 -2.36 0.55 2.41 0.04 0.00 0.00 177.00 177.98 1ujx n THR 23 N -3.86 -0.60 0.00 1.26 -1.04 -1.26 -1.96 114.28 106.81 1ujx n THR 23 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ujx n THR 23 Cb 0.59 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ujx n GLY 24 N -1.12 0.72 6.05 3.41 0.00 -1.25 -4.90 105.19 108.11 1ujx n GLY 24 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 1.04 3.78 -0.02 0.00 -0.83 -4.58 105.19 104.58 1ujx n GLY 25 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 0.46 0.84 1.61 0.04 -1.26 -5.05 135.00 131.63 1ujx s PRO 26 Ca 0.00 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 1ujx s PRO 26 Cb 0.00 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.85 1ujx s PRO 26 CO 0.00 -2.61 1.11 -1.25 0.04 0.00 0.00 177.00 174.29 1ujx s PRO 27 N -5.46 1.77 -0.39 0.56 0.04 -1.26 -4.64 135.00 125.62 1ujx s PRO 27 Ca 0.68 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1ujx s PRO 27 Cb -0.11 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1ujx s PRO 27 CO 0.54 -1.81 1.40 -1.25 0.04 0.00 0.00 177.00 175.91 1ujx s PRO 28 N -5.20 3.63 -0.25 0.56 0.04 -1.26 -4.87 135.00 127.65 1ujx s PRO 28 Ca 0.62 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1ujx s PRO 28 Cb -0.14 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.40 1ujx s PRO 28 CO 0.54 -1.49 1.12 0.42 0.04 0.00 0.00 177.00 177.63 1ujx s ILE 29 N 5.26 4.50 -0.57 0.56 1.09 -1.26 -4.86 121.20 125.92 1ujx s ILE 29 Ca 0.61 1.78 -0.26 0.00 -1.10 0.00 0.00 60.65 61.68 1ujx s ILE 29 Cb -0.14 -4.27 0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1ujx s ILE 29 CO 0.31 -0.29 1.04 -0.36 -0.10 0.00 0.00 174.94 175.54 1ujx s PHE 30 N 3.51 2.70 0.84 3.97 0.40 -1.26 -3.01 117.98 125.13 1ujx s PHE 30 Ca 0.48 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.78 1ujx s PHE 30 Cb -0.16 -4.25 0.10 0.00 0.51 0.00 0.00 43.02 39.23 1ujx s PHE 30 CO 0.12 -1.47 1.18 -0.51 0.70 0.00 0.00 175.22 175.24 1ujx s LEU 31 N 4.36 3.04 0.16 -0.37 1.43 -0.83 -4.94 118.68 121.53 1ujx s LEU 31 Ca 0.34 2.29 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 1ujx s LEU 31 Cb -0.11 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.46 1ujx s LEU 31 CO 0.21 -2.80 1.12 -2.16 0.23 0.00 0.00 176.35 172.95 1ujx s PRO 32 N -4.33 4.56 0.04 1.29 0.04 -1.26 -4.72 135.00 130.61 1ujx s PRO 32 Ca 0.71 1.74 0.09 0.00 0.04 0.00 0.00 61.00 63.57 1ujx s PRO 32 Cb -0.26 -3.28 -0.22 0.00 0.04 0.00 0.00 34.50 30.77 1ujx s PRO 32 CO 0.53 0.01 0.98 0.66 0.04 0.00 0.00 177.00 179.22 1ujx h SER 33 N 5.37 0.03 -1.05 6.66 4.64 -1.92 -3.29 113.55 123.98 1ujx h SER 33 Ca -0.44 -0.04 0.29 0.00 -0.47 0.00 0.00 61.79 61.12 1ujx h SER 33 Cb 1.21 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1ujx h SER 33 CO 0.74 1.04 0.72 -0.78 -0.87 0.00 0.00 176.83 177.68 1ujx h ASP 34 N 0.01 0.21 0.00 4.97 1.82 -1.92 -3.44 116.42 118.07 1ujx h ASP 34 Ca -0.15 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1ujx h ASP 34 Cb 1.90 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.91 1ujx h ASP 34 CO 0.11 0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 1ujx n GLY 35 N -1.62 1.07 3.13 -0.78 0.00 -1.24 -5.12 105.19 100.62 1ujx n GLY 35 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.99 -4.22 1.61 3.00 -1.26 -4.76 117.38 110.76 1ujx n GLN 36 Ca 0.00 -0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 56.38 1ujx n GLN 36 Cb 0.00 -1.38 -0.16 0.00 0.00 0.00 0.00 30.24 28.70 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujx s ALA 37 N -2.12 2.40 -0.60 -1.58 0.00 -1.26 -4.27 121.76 114.33 1ujx s ALA 37 Ca 0.45 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 1ujx s ALA 37 Cb -0.02 -1.23 0.08 0.00 0.00 0.00 0.00 23.12 21.95 1ujx s ALA 37 CO 0.62 -0.28 0.83 -1.17 0.00 0.00 0.00 175.76 175.75 1ujx s LEU 38 N 1.19 4.78 -0.23 0.00 2.96 0.33 -4.87 118.68 122.84 1ujx s LEU 38 Ca 0.02 -1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 1ujx s LEU 38 Cb -0.14 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1ujx s LEU 38 CO -0.09 -1.23 1.55 -0.69 -1.32 0.00 0.00 176.35 174.57 1ujx s VAL 39 N 3.38 3.78 0.63 1.68 1.01 -1.26 -1.94 120.40 127.68 1ujx s VAL 39 Ca 0.18 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1ujx s VAL 39 Cb -0.19 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.48 1ujx s VAL 39 CO 0.10 -0.32 0.87 -0.76 0.00 0.00 0.00 175.10 175.00 1ujx s LEU 40 N 4.98 3.13 0.00 3.92 1.02 -0.78 -4.91 118.68 126.03 1ujx s LEU 40 Ca 0.68 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1ujx s LEU 40 Cb -0.24 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.59 1ujx s LEU 40 CO 0.28 -1.48 0.00 0.61 0.02 0.00 0.00 176.35 175.78 1ujx n GLY 41 N -2.56 0.93 3.48 -3.19 0.00 -1.25 -2.70 105.19 99.91 1ujx n GLY 41 Ca 0.12 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 0.64 0.00 1.61 1.74 -1.26 -4.40 116.66 114.99 1ujx n ARG 42 Ca 0.00 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1ujx n ARG 42 Cb 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 1.70 1.17 0.00 -0.13 0.00 -0.82 -4.75 105.19 102.35 1ujx n GLY 43 Ca 0.11 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.49 0.63 0.47 1.61 -0.04 -1.26 -1.46 135.00 133.47 1ujx n PRO 44 Ca 0.00 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.30 1ujx n PRO 44 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.02 -2.02 1.53 4.07 -1.86 -3.31 115.31 112.71 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 0.06 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1ujx h LEU 45 CO 0.00 -0.72 0.00 0.35 -1.08 0.00 0.00 178.44 176.99 1ujx n THR 46 N -5.25 0.42 -1.94 0.22 -2.24 -1.24 -4.82 114.28 99.43 1ujx n THR 46 Ca -0.15 -0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 60.77 1ujx n THR 46 Cb 0.47 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.46 -1.15 -3.00 -0.78 1.13 -0.53 -4.84 117.38 108.67 1ujx n GLN 47 Ca 0.07 0.86 -0.40 0.00 -1.94 0.00 0.00 57.00 55.59 1ujx n GLN 47 Cb 0.31 -5.12 -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 -2.68 4.98 -0.03 5.09 1.01 -1.10 -4.91 120.40 122.76 1ujx s VAL 48 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1ujx s VAL 48 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1ujx s VAL 48 CO 0.00 0.26 0.01 0.35 0.00 0.00 0.00 175.10 175.72 1ujx n THR 49 N 3.64 0.22 -1.60 3.92 -2.24 -1.26 -1.95 114.28 115.00 1ujx n THR 49 Ca -0.01 -0.14 -0.63 0.00 -2.27 0.00 0.00 64.05 61.01 1ujx n THR 49 Cb 0.51 -0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 67.74 1ujx n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ujx n ASP 50 N -2.13 0.65 0.26 3.42 -0.08 -1.26 -4.76 116.55 112.65 1ujx n ASP 50 Ca -0.05 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.48 1ujx n ASP 50 Cb 0.60 -0.88 0.70 0.00 2.34 0.00 0.00 41.12 43.88 1ujx n ASP 50 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1ujx h ARG 51 N 4.02 0.00 0.00 -0.67 0.11 -2.05 0.15 114.38 115.95 1ujx h ARG 51 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1ujx h ARG 51 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1ujx h ARG 51 CO 0.82 0.00 0.02 0.87 0.10 0.00 0.00 179.97 181.77 1ujx h LYS 52 N 0.00 0.00 -5.55 0.08 1.57 -2.03 -3.38 116.57 107.26 1ujx h LYS 52 Ca 0.01 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 1ujx h LYS 52 Cb 0.04 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.24 1ujx h LYS 52 CO -0.00 0.00 0.09 0.00 -0.57 0.00 0.00 179.45 178.97 1ujx s SER 54 N 1.33 6.47 0.48 0.00 0.15 -1.26 -4.25 113.70 116.61 1ujx s SER 54 Ca 0.26 0.56 0.41 0.00 0.70 0.00 0.00 55.95 57.87 1ujx s SER 54 Cb -0.16 -2.13 1.55 0.00 -1.71 0.00 0.00 66.02 63.57 1ujx s SER 54 CO 0.09 0.30 1.47 -1.14 1.20 0.00 0.00 173.24 175.17 1ujx n ARG 55 N 2.44 -0.01 -2.74 5.44 0.63 -1.26 0.14 116.66 121.29 1ujx n ARG 55 Ca -0.17 1.08 -0.24 0.00 -0.92 0.00 0.00 57.85 57.60 1ujx n ARG 55 Cb 0.53 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 31.08 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 -4.12 3.97 0.01 6.15 0.23 -1.23 -3.96 115.26 116.31 1ujx n ASN 56 Ca 0.40 -3.55 -0.02 0.00 -0.53 0.00 0.00 54.58 50.89 1ujx n ASN 56 Cb 1.74 -0.52 0.25 0.00 -2.08 0.00 0.00 39.78 39.17 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 2.82 0.50 -3.11 -3.83 5.75 0.15 -3.05 115.11 114.34 1ujx h GLN 57 Ca 0.18 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1ujx h GLN 57 Cb 0.78 -0.05 -0.14 0.00 1.07 0.00 0.00 27.48 29.14 1ujx h GLN 57 CO 0.77 0.62 0.01 0.14 -2.65 0.00 0.00 178.83 177.72 1ujx s VAL 58 N -4.75 0.04 -0.34 2.39 -7.23 -1.26 -2.35 120.40 106.91 1ujx s VAL 58 Ca -0.07 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1ujx s VAL 58 Cb 0.15 -1.06 0.08 0.00 0.56 0.00 0.00 36.38 36.11 1ujx s VAL 58 CO 0.78 -0.20 0.06 -0.70 -0.31 0.00 0.00 175.10 174.73 1ujx s GLU 59 N -3.30 1.98 0.10 4.82 2.12 -0.35 -1.88 118.70 122.19 1ujx s GLU 59 Ca -0.00 -1.63 -0.22 0.00 0.36 0.00 0.00 54.97 53.48 1ujx s GLU 59 Cb 0.00 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 1ujx s GLU 59 CO -0.09 -0.84 0.66 -0.51 -0.54 0.00 0.00 175.26 173.94 1ujx s LEU 60 N 1.09 4.54 -0.07 2.70 1.02 -0.82 -2.86 118.68 124.27 1ujx s LEU 60 Ca 0.03 1.40 -0.02 0.00 0.02 0.00 0.00 54.13 55.57 1ujx s LEU 60 Cb -0.20 -3.06 0.03 0.00 0.02 0.00 0.00 46.19 42.97 1ujx s LEU 60 CO -0.05 0.22 0.02 -0.63 0.02 0.00 0.00 176.35 175.93 1ujx s ILE 61 N -0.96 0.26 -0.05 -0.59 1.01 -0.52 0.12 121.20 120.47 1ujx s ILE 61 Ca 0.32 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1ujx s ILE 61 Cb -0.21 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1ujx s ILE 61 CO 0.22 0.21 1.24 0.00 0.00 0.00 0.00 174.94 176.61 1ujx s ALA 62 N 2.02 3.52 -0.55 9.38 0.00 -1.25 -1.93 121.76 132.95 1ujx s ALA 62 Ca 0.05 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1ujx s ALA 62 Cb -0.12 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.60 1ujx s ALA 62 CO -0.05 -0.80 0.30 -0.51 0.00 0.00 0.00 175.76 174.71 1ujx s ASP 63 N 1.57 4.33 0.00 0.00 1.11 0.61 -4.55 116.67 119.74 1ujx s ASP 63 Ca 0.57 -3.15 0.22 0.00 0.18 0.00 0.00 52.55 50.37 1ujx s ASP 63 Cb -0.26 -1.58 1.34 0.00 1.07 0.00 0.00 42.92 43.49 1ujx s ASP 63 CO 0.23 -0.20 1.73 -0.81 1.18 0.00 0.00 175.17 177.29 1ujx n PRO 64 N 2.91 0.75 -0.08 8.23 -0.04 -1.26 -0.27 135.00 145.25 1ujx n PRO 64 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1ujx n PRO 64 Cb 0.33 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.39 -0.00 0.54 5.08 -1.91 -3.35 114.58 115.33 1ujx h GLU 65 Ca 0.00 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1ujx h GLU 65 Cb 0.00 -0.04 -0.36 0.00 0.50 0.00 0.00 28.75 28.85 1ujx h GLU 65 CO 0.00 0.53 -0.99 0.43 -1.00 0.00 0.00 179.01 177.98 1ujx n SER 66 N -4.70 1.07 -3.75 1.42 7.64 -1.21 -4.99 113.62 109.10 1ujx n SER 66 Ca -0.04 -2.17 -0.22 0.00 1.01 0.00 0.00 58.87 57.45 1ujx n SER 66 Cb 0.20 -0.32 0.02 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.35 -4.45 -4.63 1.43 3.00 -0.70 -4.98 116.66 106.67 1ujx n ARG 67 Ca 0.07 0.57 -0.29 0.00 -0.01 0.00 0.00 57.85 58.19 1ujx n ARG 67 Cb 1.11 -5.01 -0.08 0.00 0.00 0.00 0.00 32.46 28.47 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 -3.73 0.99 -0.13 0.55 -4.23 0.63 -3.72 115.64 106.00 1ujx s THR 68 Ca 0.01 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 1ujx s THR 68 Cb -0.00 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.53 1ujx s THR 68 CO 0.83 0.00 0.38 -0.69 -0.54 0.00 0.00 174.62 174.60 1ujx s VAL 69 N -3.03 0.01 -0.11 2.29 1.01 -0.15 -0.28 120.40 120.12 1ujx s VAL 69 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ujx s VAL 69 Cb 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1ujx s VAL 69 CO 0.10 -0.03 0.05 0.00 0.00 0.00 0.00 175.10 175.22 1ujx s ALA 70 N -0.00 3.47 -0.06 5.51 0.00 -0.81 0.10 121.76 129.96 1ujx s ALA 70 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1ujx s ALA 70 Cb -0.03 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1ujx s ALA 70 CO 0.01 0.52 -0.08 0.08 0.00 0.00 0.00 175.76 176.29 1ujx s VAL 71 N -0.68 0.83 -0.10 0.00 1.01 -0.20 -1.43 120.40 119.83 1ujx s VAL 71 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ujx s VAL 71 Cb -0.12 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1ujx s VAL 71 CO 0.02 0.30 -0.09 -0.75 0.00 0.00 0.00 175.10 174.58 1ujx s LYS 72 N 0.95 1.59 -0.13 2.72 2.20 -1.14 0.85 119.74 126.79 1ujx s LYS 72 Ca -0.10 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1ujx s LYS 72 Cb -0.15 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.61 1ujx s LYS 72 CO 0.00 -0.18 1.38 -1.14 -0.36 0.00 0.00 175.35 175.05 1ujx s GLN 73 N 1.39 4.22 0.00 4.03 0.74 -0.65 -1.21 119.66 128.18 1ujx s GLN 73 Ca -0.01 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.22 1ujx s GLN 73 Cb -0.13 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.14 1ujx s GLN 73 CO -0.05 -0.75 0.96 1.28 -0.55 0.00 0.00 175.29 176.18 1ujx n LEU 74 N 6.77 1.87 0.00 3.68 4.77 -0.99 -2.20 117.00 130.90 1ujx n LEU 74 Ca 0.15 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1ujx n LEU 74 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ujx n LEU 74 CO 0.58 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1ujx n GLY 75 N -0.46 2.59 0.68 -0.72 0.00 -1.15 -4.74 105.19 101.39 1ujx n GLY 75 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 0.70 -2.02 1.61 3.14 -1.26 -4.83 118.33 115.67 1ujx n VAL 76 Ca 0.00 -0.07 -0.40 0.00 -2.96 0.00 0.00 64.34 60.91 1ujx n VAL 76 Cb 0.00 -1.68 -0.01 0.00 -1.06 0.00 0.00 33.84 31.09 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 -5.95 6.47 0.12 6.55 0.01 -1.26 -4.75 114.94 116.14 1ujx s ASN 77 Ca -0.14 2.75 -0.30 0.00 -0.71 0.00 0.00 52.86 54.45 1ujx s ASN 77 Cb 0.05 -2.65 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 1ujx s ASN 77 CO 0.18 -0.75 1.14 -2.16 -1.51 0.00 0.00 177.10 174.00 1ujx s PRO 78 N -2.06 4.52 0.28 -0.60 0.04 -1.26 -4.92 135.00 131.00 1ujx s PRO 78 Ca 0.53 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.34 1ujx s PRO 78 Cb -0.40 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1ujx s PRO 78 CO 0.53 -0.08 0.44 -1.12 0.04 0.00 0.00 177.00 176.81 1ujx s SER 79 N 0.44 6.31 -0.26 6.66 0.01 -1.26 -4.65 113.70 120.96 1ujx s SER 79 Ca 0.53 0.25 0.03 0.00 1.31 0.00 0.00 55.95 58.07 1ujx s SER 79 Cb -0.29 -1.94 0.06 0.00 0.21 0.00 0.00 66.02 64.06 1ujx s SER 79 CO 0.32 -0.16 -0.09 -0.89 0.41 0.00 0.00 173.24 172.84 1ujx s THR 80 N -2.10 2.05 -1.17 1.44 2.01 -1.22 0.14 115.64 116.78 1ujx s THR 80 Ca 0.37 -1.59 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 1ujx s THR 80 Cb -0.09 -2.20 0.20 0.00 0.01 0.00 0.00 72.50 70.41 1ujx s THR 80 CO 0.32 -0.07 1.32 -0.69 -0.69 0.00 0.00 174.62 174.81 1ujx s VAL 81 N 1.15 5.33 0.00 3.82 1.01 -0.68 -1.39 120.40 129.64 1ujx s VAL 81 Ca -0.08 -2.86 0.00 0.00 0.00 0.00 0.00 61.98 59.05 1ujx s VAL 81 Cb -0.20 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1ujx s VAL 81 CO -0.05 -1.48 0.00 0.61 0.00 0.00 0.00 175.10 174.17 1ujx n GLY 82 N 3.71 0.75 0.35 4.51 0.00 0.30 -3.97 105.19 110.84 1ujx n GLY 82 Ca 0.32 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 0.58 -4.94 1.61 3.14 -1.26 -4.80 118.33 112.66 1ujx n VAL 83 Ca 0.00 -0.69 -0.26 0.00 -2.96 0.00 0.00 64.34 60.43 1ujx n VAL 83 Cb 0.00 0.30 -0.15 0.00 -1.06 0.00 0.00 33.84 32.92 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 -0.87 1.57 0.20 1.45 0.74 -1.25 -5.13 119.66 116.37 1ujx s GLN 84 Ca 0.09 -0.70 -0.23 0.00 0.05 0.00 0.00 55.36 54.58 1ujx s GLN 84 Cb 0.08 -1.52 -0.08 0.00 1.10 0.00 0.00 33.01 32.59 1ujx s GLN 84 CO 0.01 0.42 0.76 -2.00 -0.55 0.00 0.00 175.29 173.93 1ujx s GLU 85 N -0.47 4.42 0.39 1.67 2.12 -1.26 -1.68 118.70 123.89 1ujx s GLU 85 Ca 0.07 1.03 0.06 0.00 0.36 0.00 0.00 54.97 56.49 1ujx s GLU 85 Cb -0.07 -3.05 0.06 0.00 0.26 0.00 0.00 34.13 31.33 1ujx s GLU 85 CO -0.01 0.47 0.47 1.28 -0.54 0.00 0.00 175.26 176.93 1ujx n LEU 86 N 1.11 0.00 -4.20 2.70 4.77 0.36 -4.93 117.00 116.81 1ujx n LEU 86 Ca -0.04 -1.78 -0.13 0.00 -0.03 0.00 0.00 56.01 54.03 1ujx n LEU 86 Cb 0.50 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1ujx n LEU 86 CO 0.44 -0.60 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.20 1ujx s LYS 87 N -3.72 1.36 -0.41 3.23 1.02 -1.26 -4.40 119.74 115.56 1ujx s LYS 87 Ca 0.36 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 1ujx s LYS 87 Cb -0.03 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 1ujx s LYS 87 CO 0.23 -0.47 1.41 -1.25 -0.92 0.00 0.00 175.35 174.34 1ujx s PRO 88 N -3.97 3.59 0.00 -1.68 0.04 -1.26 -2.16 135.00 129.55 1ujx s PRO 88 Ca 0.38 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1ujx s PRO 88 Cb 0.05 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ujx s PRO 88 CO 0.15 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1ujx n GLY 89 N 5.05 0.63 3.93 0.56 0.00 -0.94 -5.07 105.19 109.36 1ujx n GLY 89 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 3.10 -0.06 0.99 2.96 -0.92 -4.88 118.68 119.87 1ujx s LEU 90 Ca 0.00 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1ujx s LEU 90 Cb 0.00 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.42 1ujx s LEU 90 CO 0.00 -1.25 0.15 -0.94 -1.32 0.00 0.00 176.35 172.99 1ujx s SER 91 N -4.39 -0.15 0.00 3.68 1.04 -1.26 -1.64 113.70 110.97 1ujx s SER 91 Ca 0.56 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1ujx s SER 91 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ujx s SER 91 CO 0.44 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1ujx n GLY 92 N 3.16 4.19 3.13 7.32 0.00 0.25 -4.98 105.19 118.26 1ujx n GLY 92 Ca -0.14 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1ujx n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 93 N -0.85 1.14 -0.07 1.61 0.01 -1.26 -1.03 113.70 113.25 1ujx s SER 93 Ca 0.00 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.56 1ujx s SER 93 Cb 0.00 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1ujx s SER 93 CO 0.00 -0.27 -0.16 -0.76 0.41 0.00 0.00 173.24 172.46 1ujx s LEU 94 N -2.16 1.80 0.42 2.44 1.02 0.28 -4.92 118.68 117.56 1ujx s LEU 94 Ca -0.00 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.80 1ujx s LEU 94 Cb -0.05 -1.00 -0.00 0.00 0.02 0.00 0.00 46.19 45.16 1ujx s LEU 94 CO -0.01 0.08 0.61 -0.44 0.02 0.00 0.00 176.35 176.62 1ujx s SER 95 N 0.49 5.83 -0.37 2.29 0.01 -1.26 -0.98 113.70 119.71 1ujx s SER 95 Ca -0.14 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 56.93 1ujx s SER 95 Cb -0.16 -1.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 1ujx s SER 95 CO 0.05 -0.65 2.26 -0.76 0.41 0.00 0.00 173.24 174.55 1ujx s LEU 96 N -4.44 3.42 0.00 2.44 1.43 -1.24 -0.20 118.68 120.09 1ujx s LEU 96 Ca 0.48 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1ujx s LEU 96 Cb -0.10 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1ujx s LEU 96 CO 0.36 -2.37 0.00 0.61 0.23 0.00 0.00 176.35 175.17 1ujx n GLY 97 N 5.84 1.66 3.71 -3.19 0.00 -0.17 -5.00 105.19 108.04 1ujx n GLY 97 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.60 -4.95 1.61 9.92 0.72 -4.54 116.55 120.92 1ujx n ASP 98 Ca 0.00 0.73 -0.20 0.00 -0.53 0.00 0.00 54.79 54.79 1ujx n ASP 98 Cb 0.00 -1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 38.93 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 -1.69 4.45 -0.40 2.53 1.01 -1.26 -2.10 120.40 122.93 1ujx s VAL 99 Ca 0.79 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1ujx s VAL 99 Cb -0.34 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.66 1ujx s VAL 99 CO 0.45 -0.24 0.38 -0.22 0.00 0.00 0.00 175.10 175.47 1ujx s LEU 100 N -4.05 0.53 -0.49 3.92 2.96 -1.04 -0.54 118.68 119.96 1ujx s LEU 100 Ca 0.40 -2.33 -0.26 0.00 -0.22 0.00 0.00 54.13 51.71 1ujx s LEU 100 Cb -0.09 0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.70 1ujx s LEU 100 CO 0.29 -0.20 2.38 -0.31 -1.32 0.00 0.00 176.35 177.19 1ujx s TYR 101 N 0.71 1.10 0.16 5.38 2.02 -0.49 -2.37 117.35 123.86 1ujx s TYR 101 Ca 0.26 1.51 -0.26 0.00 -0.37 0.00 0.00 57.07 58.21 1ujx s TYR 101 Cb -0.07 -3.61 -0.00 0.00 -0.40 0.00 0.00 41.96 37.88 1ujx s TYR 101 CO -0.09 -2.55 1.40 -0.11 -1.57 0.00 0.00 175.55 172.63 1ujx n LEU 102 N 15.70 -0.88 -3.82 -1.29 0.00 -0.77 -3.44 117.00 122.49 1ujx n LEU 102 Ca 0.36 1.61 -0.06 0.00 0.00 0.00 0.00 56.01 57.92 1ujx n LEU 102 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.72 1ujx n LEU 102 CO 0.71 -1.34 0.59 0.54 0.00 0.00 0.00 177.39 177.89 1ujx s VAL 103 N -5.54 0.00 -1.28 1.96 0.11 -1.23 -4.69 120.40 109.72 1ujx s VAL 103 Ca -0.11 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 57.92 1ujx s VAL 103 Cb 0.12 -2.39 0.14 0.00 -1.53 0.00 0.00 36.38 32.72 1ujx s VAL 103 CO 0.58 0.00 0.45 -3.20 -3.33 0.00 0.00 175.10 169.61 1ujx n ASN 104 N -0.86 -2.24 -1.63 3.54 2.85 -1.26 0.17 115.26 115.84 1ujx n ASN 104 Ca -0.06 -0.61 -0.07 0.00 -0.11 0.00 0.00 54.58 53.74 1ujx n ASN 104 Cb 0.60 -1.93 -0.02 0.00 1.24 0.00 0.00 39.78 39.67 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 0.24 0.59 8.20 0.00 -1.26 -4.86 105.19 107.11 1ujx n GLY 105 Ca 0.06 0.00 -0.05 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 -1.86 0.00 -3.96 0.99 4.77 0.46 -4.85 117.00 112.56 1ujx n LEU 106 Ca -0.07 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 1ujx n LEU 106 Cb 0.33 0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1ujx n LEU 106 CO 0.10 -0.08 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.72 1ujx n TYR 107 N -0.21 -1.55 -2.48 -1.77 4.01 -1.26 -2.31 117.16 111.58 1ujx n TYR 107 Ca -0.03 0.19 -0.41 0.00 -0.16 0.00 0.00 57.90 57.48 1ujx n TYR 107 Cb 0.10 -2.99 -0.04 0.00 -0.31 0.00 0.00 39.34 36.11 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 -6.99 4.54 -0.38 -0.72 0.04 -1.26 -1.85 135.00 128.37 1ujx s PRO 108 Ca 0.48 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 108 Cb -0.24 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.09 1ujx s PRO 108 CO 0.94 -0.04 0.17 -0.51 0.04 0.00 0.00 177.00 177.61 1ujx s LEU 109 N 0.07 4.87 0.01 -3.56 2.01 -1.00 -4.66 118.68 116.43 1ujx s LEU 109 Ca 0.52 -1.64 -0.30 0.00 0.01 0.00 0.00 54.13 52.72 1ujx s LEU 109 Cb -0.29 -1.86 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 1ujx s LEU 109 CO 0.33 -0.47 1.06 -0.89 1.01 0.00 0.00 176.35 177.40 1ujx s THR 110 N 1.28 4.57 0.00 5.49 2.01 -1.25 -2.51 115.64 125.23 1ujx s THR 110 Ca 0.03 1.84 -0.28 0.00 0.31 0.00 0.00 61.69 63.59 1ujx s THR 110 Cb -0.22 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1ujx s THR 110 CO -0.01 0.13 0.91 -0.22 -0.69 0.00 0.00 174.62 174.74 1ujx s LEU 111 N 1.16 4.38 0.26 4.42 2.96 -0.89 -0.60 118.68 130.37 1ujx s LEU 111 Ca 0.54 1.57 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 1ujx s LEU 111 Cb -0.24 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1ujx s LEU 111 CO 0.27 -0.19 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.97 1ujx s ARG 112 N 0.79 1.43 -0.05 1.98 1.81 0.41 -1.00 118.95 124.33 1ujx s ARG 112 Ca 0.48 -1.74 -0.02 0.00 -1.72 0.00 0.00 55.73 52.74 1ujx s ARG 112 Cb -0.21 -0.80 0.04 0.00 -0.45 0.00 0.00 34.95 33.53 1ujx s ARG 112 CO 0.26 -0.07 0.09 -0.46 -0.68 0.00 0.00 175.30 174.44 1ujx s TRP 113 N -3.29 -0.06 0.48 -0.53 -0.11 -1.26 -2.26 118.94 111.91 1ujx s TRP 113 Ca 0.30 0.33 -0.21 0.00 1.22 0.00 0.00 56.10 57.74 1ujx s TRP 113 Cb 0.05 -0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 31.71 1ujx s TRP 113 CO 0.10 -0.16 1.04 0.45 -4.62 0.00 0.00 176.95 173.77 1ujx s SER 114 N 1.45 6.39 0.20 5.86 0.15 -0.00 -4.87 113.70 122.87 1ujx s SER 114 Ca -0.05 1.94 -0.23 0.00 0.70 0.00 0.00 55.95 58.31 1ujx s SER 114 Cb -0.12 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1ujx s SER 114 CO -0.04 -0.75 0.72 -0.83 1.20 0.00 0.00 173.24 173.54 1ujx s GLY 115 N -1.94 -0.33 -0.86 9.45 0.00 -1.26 -3.76 107.32 108.61 1ujx s GLY 115 Ca 0.66 0.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 1ujx s GLY 115 CO 0.21 0.05 2.58 -1.55 0.00 0.00 0.00 173.10 174.38 1ujx n PRO 116 N -0.41 2.40 -3.18 2.90 -0.04 -1.26 -4.69 135.00 130.72 1ujx n PRO 116 Ca -0.09 -1.47 -0.05 0.00 -0.04 0.00 0.00 63.50 61.84 1ujx n PRO 116 Cb 0.62 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1ujx n PRO 116 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ujx n SER 117 N 3.56 -6.60 -3.64 3.54 7.64 -1.26 -5.01 113.62 111.84 1ujx n SER 117 Ca 0.51 0.44 -0.02 0.00 1.01 0.00 0.00 58.87 60.81 1ujx n SER 117 Cb 0.32 -2.00 -0.07 0.00 -1.01 0.00 0.00 64.21 61.46 1ujx n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujx s SER 118 N -1.14 -0.39 0.00 6.43 0.15 -1.26 -5.32 113.70 112.18 1ujx s SER 118 Ca 0.05 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1ujx s SER 118 Cb -0.01 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1ujx s SER 118 CO 0.19 -0.10 0.01 0.61 1.20 0.00 0.00 173.24 175.15