#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 4.08 0.04 1.61 0.15 -1.26 -5.01 113.70 113.31 1ujx s SER 2 Ca 0.00 -1.32 -0.31 0.00 0.70 0.00 0.00 55.95 55.02 1ujx s SER 2 Cb 0.00 -1.29 -0.18 0.00 -1.71 0.00 0.00 66.02 62.84 1ujx s SER 2 CO 0.00 -0.24 1.36 -1.28 1.20 0.00 0.00 173.24 174.28 1ujx h SER 3 N 7.89 -0.82 0.00 5.45 0.87 -2.11 -3.48 113.55 121.35 1ujx h SER 3 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1ujx h SER 3 Cb 1.06 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1ujx h SER 3 CO 0.43 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 1ujx n GLY 4 N -1.06 1.01 1.70 5.77 0.00 -1.26 -5.03 105.19 106.32 1ujx n GLY 4 Ca -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.23 -7.95 -1.25 1.61 2.88 -1.26 -4.97 113.62 102.46 1ujx n SER 5 Ca 0.00 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.83 1ujx n SER 5 Cb 0.00 -4.24 -0.08 0.00 -0.75 0.00 0.00 64.21 59.14 1ujx n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujx n SER 6 N 1.10 -6.87 0.00 -3.46 7.64 -1.26 -5.03 113.62 105.73 1ujx n SER 6 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1ujx n SER 6 Cb 0.00 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujx n GLY 7 N -4.03 -0.01 3.54 0.23 0.00 -1.26 -5.16 105.19 98.50 1ujx n GLY 7 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.62 0.69 0.00 1.61 1.00 -1.26 -5.17 119.30 115.54 1ujx s MET 8 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.69 55.57 1ujx s MET 8 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 34.83 35.15 1ujx s MET 8 CO 0.00 -0.27 0.00 0.43 0.00 0.00 0.00 175.02 175.18 1ujx n SER 9 N 0.13 0.00 -3.54 3.03 7.64 -1.26 -5.17 113.62 114.45 1ujx n SER 9 Ca -0.08 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.79 1ujx n SER 9 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1ujx n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ujx s GLN 10 N -0.55 0.37 -0.06 1.43 -2.07 -1.26 -5.08 119.66 112.44 1ujx s GLN 10 Ca 0.00 0.76 -0.03 0.00 -1.82 0.00 0.00 55.36 54.28 1ujx s GLN 10 Cb 0.00 0.29 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1ujx s GLN 10 CO 0.00 -0.10 -0.05 -0.07 -1.32 0.00 0.00 175.29 173.75 1ujx h LEU 11 N 6.86 0.00 0.00 2.60 3.38 -2.06 -3.50 115.31 122.58 1ujx h LEU 11 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ujx h LEU 11 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ujx h LEU 11 CO 0.14 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1ujx n GLY 12 N 1.77 6.14 0.07 0.83 0.00 -1.26 -5.05 105.19 107.69 1ujx n GLY 12 Ca -0.02 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1ujx n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujx h SER 13 N 0.00 0.03 -0.55 1.61 0.02 -1.97 -3.50 113.55 109.20 1ujx h SER 13 Ca 0.00 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1ujx h SER 13 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1ujx h SER 13 CO 0.00 1.04 -0.05 0.54 -1.14 0.00 0.00 176.83 177.22 1ujx n ARG 14 N -3.21 -0.28 -0.28 3.45 1.74 -1.26 -4.86 116.66 111.96 1ujx n ARG 14 Ca -0.10 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1ujx n ARG 14 Cb 1.00 -0.34 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 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 -0.50 0.92 3.10 -0.13 0.00 -1.26 -4.68 105.19 102.64 1ujx n GLY 15 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.54 0.37 0.35 1.61 3.52 -1.23 -4.92 118.95 119.19 1ujx s ARG 16 Ca 0.00 -0.06 -0.16 0.00 -0.13 0.00 0.00 55.73 55.38 1ujx s ARG 16 Cb 0.00 0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.46 1ujx s ARG 16 CO 0.00 -0.08 0.78 -0.51 -0.81 0.00 0.00 175.30 174.68 1ujx s LEU 17 N -0.65 4.03 0.14 -0.88 1.43 -1.26 0.18 118.68 121.67 1ujx s LEU 17 Ca -0.07 1.36 -0.25 0.00 -1.03 0.00 0.00 54.13 54.13 1ujx s LEU 17 Cb -0.04 -4.17 0.07 0.00 0.03 0.00 0.00 46.19 42.07 1ujx s LEU 17 CO 0.01 -0.24 0.96 -1.66 0.23 0.00 0.00 176.35 175.65 1ujx s TRP 18 N -2.03 -0.14 -0.03 0.29 1.48 0.33 -3.20 118.94 115.64 1ujx s TRP 18 Ca 0.56 -0.15 0.03 0.00 -1.06 0.00 0.00 56.10 55.48 1ujx s TRP 18 Cb -0.10 0.63 -0.03 0.00 -1.16 0.00 0.00 33.47 32.81 1ujx s TRP 18 CO 0.17 -0.80 -0.11 -0.51 -4.06 0.00 0.00 176.95 171.64 1ujx s LEU 19 N -2.92 2.95 -0.15 -4.66 1.43 -1.01 -0.01 118.68 114.32 1ujx s LEU 19 Ca 0.12 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1ujx s LEU 19 Cb -0.01 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1ujx s LEU 19 CO 0.01 0.32 -0.01 -1.58 0.23 0.00 0.00 176.35 175.32 1ujx s GLN 20 N -1.04 3.66 0.08 1.70 2.00 0.49 -3.84 119.66 122.70 1ujx s GLN 20 Ca 0.14 -0.47 0.06 0.00 -2.00 0.00 0.00 55.36 53.09 1ujx s GLN 20 Cb -0.11 -2.96 -0.04 0.00 0.80 0.00 0.00 33.01 30.70 1ujx s GLN 20 CO 0.03 0.30 -0.11 -1.54 -0.50 0.00 0.00 175.29 173.48 1ujx s SER 21 N 0.22 4.33 0.86 6.67 1.04 -1.26 -2.20 113.70 123.36 1ujx s SER 21 Ca -0.01 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1ujx s SER 21 Cb -0.13 -0.84 0.11 0.00 0.10 0.00 0.00 66.02 65.26 1ujx s SER 21 CO 0.02 0.21 1.12 -2.16 0.98 0.00 0.00 173.24 173.41 1ujx s PRO 22 N -1.95 1.52 0.97 4.02 0.04 -1.26 -4.88 135.00 133.47 1ujx s PRO 22 Ca 0.19 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 1ujx s PRO 22 Cb -0.11 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 1ujx s PRO 22 CO 0.11 -1.96 -0.78 -2.37 0.04 0.00 0.00 177.00 172.04 1ujx n THR 23 N -3.63 0.00 -4.02 1.26 5.66 -1.26 -2.13 114.28 110.16 1ujx n THR 23 Ca 0.07 -0.49 -0.33 0.00 -3.05 0.00 0.00 64.05 60.25 1ujx n THR 23 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ujx n GLY 24 N 3.43 -0.48 3.47 1.09 0.00 -1.26 -4.95 105.19 106.50 1ujx n GLY 24 Ca -0.02 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.55 3.23 3.78 -0.02 0.00 -0.91 -5.15 105.19 104.56 1ujx n GLY 25 Ca 0.06 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.62 0.55 0.99 1.61 0.04 -1.26 -5.01 135.00 128.29 1ujx s PRO 26 Ca 0.20 0.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.16 1ujx s PRO 26 Cb 0.01 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1ujx s PRO 26 CO 0.14 -2.56 1.17 -1.25 0.04 0.00 0.00 177.00 174.55 1ujx s PRO 27 N -5.44 0.51 -0.48 0.56 0.04 -1.26 -4.62 135.00 124.31 1ujx s PRO 27 Ca 0.67 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1ujx s PRO 27 Cb -0.11 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 27 CO 0.54 -2.58 1.45 -1.25 0.04 0.00 0.00 177.00 175.20 1ujx s PRO 28 N -5.45 3.40 0.10 0.56 0.04 -1.26 -4.84 135.00 127.55 1ujx s PRO 28 Ca 0.68 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1ujx s PRO 28 Cb -0.11 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.28 1ujx s PRO 28 CO 0.54 -1.80 0.94 0.42 0.04 0.00 0.00 177.00 177.15 1ujx s ILE 29 N 5.95 4.53 -0.51 0.56 1.09 -1.25 -4.88 121.20 126.68 1ujx s ILE 29 Ca 0.59 2.03 -0.18 0.00 -1.10 0.00 0.00 60.65 61.99 1ujx s ILE 29 Cb -0.13 -4.31 0.07 0.00 -1.06 0.00 0.00 42.46 37.04 1ujx s ILE 29 CO 0.29 0.32 0.57 -0.36 -0.10 0.00 0.00 174.94 175.65 1ujx s PHE 30 N 0.01 3.11 0.73 3.97 0.40 -1.26 -2.39 117.98 122.55 1ujx s PHE 30 Ca 0.46 -0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 1ujx s PHE 30 Cb -0.23 -3.53 -0.01 0.00 0.51 0.00 0.00 43.02 39.76 1ujx s PHE 30 CO 0.29 -1.01 0.70 1.28 0.70 0.00 0.00 175.22 177.19 1ujx n LEU 31 N 5.87 1.84 -4.68 -0.37 4.77 -1.20 -4.88 117.00 118.36 1ujx n LEU 31 Ca -0.09 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 1ujx n LEU 31 Cb 0.44 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1ujx n LEU 31 CO 0.53 -2.71 1.00 -2.16 -1.33 0.00 0.00 177.39 172.72 1ujx s PRO 32 N -3.05 4.31 0.12 3.23 0.04 -1.26 -4.84 135.00 133.55 1ujx s PRO 32 Ca 0.68 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.46 1ujx s PRO 32 Cb -0.34 -3.62 -0.20 0.00 0.04 0.00 0.00 34.50 30.38 1ujx s PRO 32 CO 0.55 -0.53 1.26 0.66 0.04 0.00 0.00 177.00 178.99 1ujx h SER 33 N 7.70 0.11 -0.90 6.66 4.64 -1.90 -3.20 113.55 126.66 1ujx h SER 33 Ca -0.32 -0.11 0.26 0.00 -0.47 0.00 0.00 61.79 61.15 1ujx h SER 33 Cb 1.15 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1ujx h SER 33 CO 0.91 1.07 0.91 -0.78 -0.87 0.00 0.00 176.83 178.07 1ujx h ASP 34 N 0.02 0.00 0.00 4.97 3.58 -1.91 -3.43 116.42 119.66 1ujx h ASP 34 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ujx h ASP 34 Cb 1.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.83 1ujx h ASP 34 CO 0.15 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.12 1ujx n GLY 35 N -1.66 1.04 3.17 -0.78 0.00 -1.21 -5.11 105.19 100.65 1ujx n GLY 35 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.46 -2.67 -4.16 1.61 6.02 -1.26 -4.83 117.38 111.64 1ujx n GLN 36 Ca 0.00 -0.78 -0.33 0.00 -0.01 0.00 0.00 57.00 55.88 1ujx n GLN 36 Cb 0.00 -1.69 -0.16 0.00 1.02 0.00 0.00 30.24 29.41 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 -2.15 2.37 -0.57 -1.58 0.00 -1.26 -4.34 121.76 114.22 1ujx s ALA 37 Ca 0.51 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1ujx s ALA 37 Cb -0.11 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 21.89 1ujx s ALA 37 CO 0.50 -0.32 0.70 -1.17 0.00 0.00 0.00 175.76 175.48 1ujx s LEU 38 N 1.25 5.18 0.01 0.00 2.96 0.35 -4.86 118.68 123.57 1ujx s LEU 38 Ca 0.04 -1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 52.40 1ujx s LEU 38 Cb -0.13 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 1ujx s LEU 38 CO -0.11 -1.08 1.30 -0.69 -1.32 0.00 0.00 176.35 174.45 1ujx s VAL 39 N 2.79 3.89 0.18 1.68 1.01 -1.26 -1.79 120.40 126.90 1ujx s VAL 39 Ca 0.13 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1ujx s VAL 39 Cb -0.22 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1ujx s VAL 39 CO 0.08 0.03 0.08 -0.76 0.00 0.00 0.00 175.10 174.54 1ujx s LEU 40 N 1.87 3.60 0.00 3.92 1.43 -0.93 -4.96 118.68 123.62 1ujx s LEU 40 Ca 0.61 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1ujx s LEU 40 Cb -0.30 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1ujx s LEU 40 CO 0.26 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1ujx n GLY 41 N -0.32 -0.52 3.77 -3.19 0.00 -1.25 -2.09 105.19 101.59 1ujx n GLY 41 Ca -0.09 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.76 4.24 0.00 1.61 0.52 -1.24 -4.33 118.95 118.00 1ujx s ARG 42 Ca 0.00 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 1ujx s ARG 42 Cb 0.00 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1ujx s ARG 42 CO 0.00 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.37 1ujx n GLY 43 N 0.80 0.91 0.00 -3.53 0.00 0.34 -4.60 105.19 99.10 1ujx n GLY 43 Ca 0.01 -1.98 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 -0.43 0.02 0.17 1.61 -0.04 -1.26 -1.13 135.00 133.95 1ujx n PRO 44 Ca 0.00 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 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 -1.40 -2.50 1.53 4.07 -1.88 -3.21 115.31 111.93 1ujx h LEU 45 Ca 0.00 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1ujx h LEU 45 Cb 0.36 0.49 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1ujx h LEU 45 CO 0.00 -0.55 0.00 0.35 -1.08 0.00 0.00 178.44 177.16 1ujx n THR 46 N -5.24 0.74 -1.46 0.22 -2.24 -1.24 -4.90 114.28 100.16 1ujx n THR 46 Ca -0.09 -0.87 -0.15 0.00 -2.27 0.00 0.00 64.05 60.67 1ujx n THR 46 Cb 0.40 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.13 -1.06 -2.89 -0.78 1.13 -0.28 -4.64 117.38 108.99 1ujx n GLN 47 Ca 0.06 1.02 -0.41 0.00 -1.94 0.00 0.00 57.00 55.73 1ujx n GLN 47 Cb 0.30 -5.17 -0.04 0.00 0.11 0.00 0.00 30.24 25.44 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 -2.57 4.96 -0.10 5.09 1.01 -0.96 -4.89 120.40 122.95 1ujx s VAL 48 Ca 0.00 1.73 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1ujx s VAL 48 Cb 0.00 -4.17 0.39 0.00 0.00 0.00 0.00 36.38 32.60 1ujx s VAL 48 CO 0.00 0.21 1.18 0.35 0.00 0.00 0.00 175.10 176.83 1ujx n THR 49 N 3.85 1.10 -3.30 3.92 -2.24 -1.26 -0.50 114.28 115.85 1ujx n THR 49 Ca 0.02 -2.00 -0.39 0.00 -2.27 0.00 0.00 64.05 59.41 1ujx n THR 49 Cb 0.51 0.34 -0.07 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 -2.54 6.54 0.54 3.42 -1.08 -1.26 -4.94 116.67 117.35 1ujx s ASP 50 Ca 0.33 0.64 0.27 0.00 -0.52 0.00 0.00 52.55 53.27 1ujx s ASP 50 Cb 0.35 -2.27 1.43 0.00 -1.46 0.00 0.00 42.92 40.96 1ujx s ASP 50 CO -0.10 -0.12 1.98 0.03 0.52 0.00 0.00 175.17 177.47 1ujx h ARG 51 N 7.34 0.00 0.00 4.34 3.08 -2.04 0.82 114.38 127.91 1ujx h ARG 51 Ca -0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1ujx h ARG 51 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1ujx h ARG 51 CO 0.73 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 180.48 1ujx h LYS 52 N 0.00 0.00 -6.15 0.04 1.79 -2.02 -3.41 116.57 106.82 1ujx h LYS 52 Ca 0.27 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.15 1ujx h LYS 52 Cb 1.11 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.71 1ujx h LYS 52 CO -0.00 0.02 -0.10 0.00 -1.08 0.00 0.00 179.45 178.29 1ujx s SER 54 N -1.10 4.23 0.41 0.00 0.15 -1.26 -4.50 113.70 111.63 1ujx s SER 54 Ca 0.27 -0.16 0.30 0.00 0.70 0.00 0.00 55.95 57.06 1ujx s SER 54 Cb -0.18 -1.08 1.39 0.00 -1.71 0.00 0.00 66.02 64.44 1ujx s SER 54 CO 0.17 0.32 1.45 0.54 1.20 0.00 0.00 173.24 176.92 1ujx n ARG 55 N 2.50 -0.03 -2.96 5.44 1.74 -1.26 0.61 116.66 122.70 1ujx n ARG 55 Ca -0.18 1.16 -0.25 0.00 -0.77 0.00 0.00 57.85 57.82 1ujx n ARG 55 Cb 0.52 -2.29 -0.03 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 -4.55 3.74 -0.07 0.55 0.23 -1.26 -3.94 115.26 109.95 1ujx n ASN 56 Ca 0.38 -3.54 -0.11 0.00 -0.53 0.00 0.00 54.58 50.78 1ujx n ASN 56 Cb 1.46 -0.57 -0.04 0.00 -2.08 0.00 0.00 39.78 38.56 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 2.96 0.35 -4.05 -3.83 5.75 0.74 -2.75 115.11 114.29 1ujx h GLN 57 Ca 0.13 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.43 1ujx h GLN 57 Cb 0.63 -0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.00 1ujx h GLN 57 CO 0.75 0.42 -0.37 0.14 -2.65 0.00 0.00 178.83 177.12 1ujx s VAL 58 N -5.48 0.03 -0.26 2.39 -7.23 -1.21 -1.52 120.40 107.13 1ujx s VAL 58 Ca -0.14 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1ujx s VAL 58 Cb 0.08 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1ujx s VAL 58 CO 0.72 -0.16 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.56 1ujx s GLU 59 N -4.04 2.05 0.02 4.82 2.12 0.19 -2.18 118.70 121.69 1ujx s GLU 59 Ca 0.25 -1.31 -0.14 0.00 0.36 0.00 0.00 54.97 54.14 1ujx s GLU 59 Cb 0.03 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.53 1ujx s GLU 59 CO 0.06 -0.60 0.41 -0.51 -0.54 0.00 0.00 175.26 174.08 1ujx s LEU 60 N 1.15 4.44 -0.05 2.70 1.02 -0.74 -2.20 118.68 125.01 1ujx s LEU 60 Ca -0.07 0.93 -0.02 0.00 0.02 0.00 0.00 54.13 54.99 1ujx s LEU 60 Cb -0.20 -2.69 0.03 0.00 0.02 0.00 0.00 46.19 43.35 1ujx s LEU 60 CO -0.06 0.28 0.04 -0.63 0.02 0.00 0.00 176.35 176.01 1ujx s ILE 61 N -1.16 0.03 -0.20 -0.59 1.01 -0.70 0.13 121.20 119.72 1ujx s ILE 61 Ca 0.26 0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1ujx s ILE 61 Cb -0.16 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 1ujx s ILE 61 CO 0.14 0.20 1.31 0.00 0.00 0.00 0.00 174.94 176.59 1ujx s ALA 62 N 2.08 3.56 -0.62 9.38 0.00 -1.26 -2.07 121.76 132.83 1ujx s ALA 62 Ca 0.04 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1ujx s ALA 62 Cb -0.12 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.48 1ujx s ALA 62 CO -0.04 -1.38 0.41 -0.51 0.00 0.00 0.00 175.76 174.24 1ujx s ASP 63 N 2.37 4.91 0.00 0.00 1.11 0.91 -4.62 116.67 121.35 1ujx s ASP 63 Ca 0.57 -3.12 0.23 0.00 0.18 0.00 0.00 52.55 50.41 1ujx s ASP 63 Cb -0.21 -1.76 1.39 0.00 1.07 0.00 0.00 42.92 43.42 1ujx s ASP 63 CO 0.18 -0.26 1.77 -0.81 1.18 0.00 0.00 175.17 177.22 1ujx n PRO 64 N 3.04 0.75 -0.17 8.23 -0.04 -1.26 -0.26 135.00 145.30 1ujx n PRO 64 Ca 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1ujx n PRO 64 Cb 0.35 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 1ujx n PRO 64 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ujx h GLU 65 N 0.00 0.94 0.00 0.54 4.81 -1.91 -3.32 114.58 115.64 1ujx h GLU 65 Ca 0.00 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.86 1ujx h GLU 65 Cb 0.00 -0.13 -0.32 0.00 0.63 0.00 0.00 28.75 28.93 1ujx h GLU 65 CO 0.00 0.85 -0.86 0.43 -0.73 0.00 0.00 179.01 178.70 1ujx n SER 66 N -4.25 0.56 -3.71 1.04 7.64 -1.19 -5.01 113.62 108.71 1ujx n SER 66 Ca 0.04 -1.99 -0.27 0.00 1.01 0.00 0.00 58.87 57.66 1ujx n SER 66 Cb 0.25 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.37 -2.51 -4.37 1.43 3.00 -0.85 -4.99 116.66 108.75 1ujx n ARG 67 Ca -0.01 0.51 -0.20 0.00 -0.01 0.00 0.00 57.85 58.14 1ujx n ARG 67 Cb 1.03 -4.55 -0.09 0.00 0.00 0.00 0.00 32.46 28.85 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 -3.61 0.38 -0.12 0.55 -4.23 0.65 -4.15 115.64 105.11 1ujx s THR 68 Ca 0.28 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1ujx s THR 68 Cb -0.09 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1ujx s THR 68 CO 0.85 0.00 0.30 -0.69 -0.54 0.00 0.00 174.62 174.54 1ujx s VAL 69 N -3.52 -0.03 0.01 2.29 1.01 -0.56 -0.06 120.40 119.54 1ujx s VAL 69 Ca 0.34 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1ujx s VAL 69 Cb 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 1ujx s VAL 69 CO 0.18 0.04 0.40 0.00 0.00 0.00 0.00 175.10 175.72 1ujx s ALA 70 N 1.05 3.71 -0.06 5.51 0.00 -0.88 0.94 121.76 132.03 1ujx s ALA 70 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1ujx s ALA 70 Cb -0.08 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1ujx s ALA 70 CO -0.08 0.50 -0.13 0.08 0.00 0.00 0.00 175.76 176.13 1ujx s VAL 71 N -1.12 1.21 -0.07 0.00 1.01 0.21 -1.72 120.40 119.92 1ujx s VAL 71 Ca 0.25 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ujx s VAL 71 Cb -0.16 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1ujx s VAL 71 CO 0.14 0.37 -0.04 -0.75 0.00 0.00 0.00 175.10 174.82 1ujx s LYS 72 N 0.54 0.92 -0.22 2.72 2.20 -0.94 0.89 119.74 125.86 1ujx s LYS 72 Ca -0.13 -0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 1ujx s LYS 72 Cb -0.15 -1.06 0.01 0.00 -1.51 0.00 0.00 37.83 35.12 1ujx s LYS 72 CO 0.04 -0.20 1.08 -1.14 -0.36 0.00 0.00 175.35 174.77 1ujx s GLN 73 N 1.46 4.26 0.00 4.03 0.74 -0.93 0.56 119.66 129.78 1ujx s GLN 73 Ca -0.02 1.42 0.03 0.00 0.05 0.00 0.00 55.36 56.83 1ujx s GLN 73 Cb -0.13 -3.66 0.03 0.00 1.10 0.00 0.00 33.01 30.35 1ujx s GLN 73 CO -0.03 -0.64 0.69 1.28 -0.55 0.00 0.00 175.29 176.04 1ujx n LEU 74 N 6.34 1.44 0.00 3.68 4.77 -0.57 -1.58 117.00 131.08 1ujx n LEU 74 Ca 0.12 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1ujx n LEU 74 Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ujx n LEU 74 CO 0.53 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1ujx n GLY 75 N 0.06 1.78 0.54 -0.72 0.00 -0.89 -4.83 105.19 101.12 1ujx n GLY 75 Ca 0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.88 1.61 3.14 -1.26 -4.76 118.33 115.27 1ujx n VAL 76 Ca 0.00 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.94 1ujx n VAL 76 Cb 0.00 -1.10 -0.01 0.00 -1.06 0.00 0.00 33.84 31.67 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 -4.72 6.46 -0.11 6.55 -0.87 -1.26 -4.73 114.94 116.26 1ujx s ASN 77 Ca -0.02 2.92 -0.30 0.00 -1.57 0.00 0.00 52.86 53.89 1ujx s ASN 77 Cb 0.01 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.25 38.56 1ujx s ASN 77 CO 0.03 -0.80 1.25 -2.16 -2.57 0.00 0.00 177.10 172.85 1ujx s PRO 78 N -1.47 4.29 0.35 -0.60 0.04 -1.26 -4.90 135.00 131.45 1ujx s PRO 78 Ca 0.55 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 1ujx s PRO 78 Cb -0.45 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1ujx s PRO 78 CO 0.56 -0.59 0.57 -1.12 0.04 0.00 0.00 177.00 176.46 1ujx s SER 79 N 1.77 6.31 -0.15 6.66 0.01 -1.26 -4.54 113.70 122.50 1ujx s SER 79 Ca 0.56 0.54 0.02 0.00 1.31 0.00 0.00 55.95 58.37 1ujx s SER 79 Cb -0.24 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1ujx s SER 79 CO 0.19 -0.31 -0.20 -0.89 0.41 0.00 0.00 173.24 172.43 1ujx s THR 80 N -2.34 1.99 -1.04 1.44 2.01 -1.19 0.17 115.64 116.68 1ujx s THR 80 Ca 0.41 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1ujx s THR 80 Cb -0.10 -1.78 0.27 0.00 0.01 0.00 0.00 72.50 70.90 1ujx s THR 80 CO 0.36 0.53 1.09 0.52 -0.69 0.00 0.00 174.62 176.44 1ujx n VAL 81 N 4.30 4.26 0.00 3.82 0.31 -0.28 -1.52 118.33 129.21 1ujx n VAL 81 Ca -0.20 -5.41 0.00 0.00 -0.01 0.00 0.00 64.34 58.72 1ujx n VAL 81 Cb 0.51 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 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 2.29 0.64 0.26 2.92 0.00 -0.16 -3.97 105.19 107.18 1ujx n GLY 82 Ca 0.24 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.47 -4.89 1.61 3.14 -1.26 -4.82 118.33 112.58 1ujx n VAL 83 Ca 0.00 -0.55 -0.26 0.00 -2.96 0.00 0.00 64.34 60.57 1ujx n VAL 83 Cb 0.00 0.46 -0.16 0.00 -1.06 0.00 0.00 33.84 33.08 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 -0.67 1.76 0.25 1.45 0.74 -1.25 -5.13 119.66 116.81 1ujx s GLN 84 Ca 0.07 -0.65 -0.25 0.00 0.05 0.00 0.00 55.36 54.58 1ujx s GLN 84 Cb 0.06 -1.57 -0.09 0.00 1.10 0.00 0.00 33.01 32.50 1ujx s GLN 84 CO 0.01 0.30 0.86 -2.00 -0.55 0.00 0.00 175.29 173.91 1ujx s GLU 85 N -0.12 4.55 0.23 1.67 2.12 -1.26 -1.12 118.70 124.76 1ujx s GLU 85 Ca -0.00 1.21 0.04 0.00 0.36 0.00 0.00 54.97 56.57 1ujx s GLU 85 Cb -0.10 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1ujx s GLU 85 CO 0.01 0.40 0.30 1.28 -0.54 0.00 0.00 175.26 176.71 1ujx n LEU 86 N 0.95 0.00 -4.20 2.70 4.77 0.45 -4.91 117.00 116.76 1ujx n LEU 86 Ca -0.01 -1.01 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 1ujx n LEU 86 Cb 0.50 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1ujx n LEU 86 CO 0.45 -0.56 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.23 1ujx s LYS 87 N -3.02 1.32 -0.31 3.23 1.02 -1.26 -4.43 119.74 116.29 1ujx s LYS 87 Ca 0.23 -1.66 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1ujx s LYS 87 Cb -0.02 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1ujx s LYS 87 CO 0.14 -0.46 1.35 -1.25 -0.92 0.00 0.00 175.35 174.22 1ujx s PRO 88 N -4.02 3.83 0.00 -1.68 0.04 -1.26 -2.23 135.00 129.68 1ujx s PRO 88 Ca 0.38 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ujx s PRO 88 Cb 0.06 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1ujx s PRO 88 CO 0.14 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1ujx n GLY 89 N 4.50 0.67 3.51 0.56 0.00 -0.61 -5.06 105.19 108.76 1ujx n GLY 89 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.61 0.99 7.94 -0.95 -4.86 117.00 116.51 1ujx n LEU 90 Ca 0.00 -1.53 -0.15 0.00 -1.11 0.00 0.00 56.01 53.22 1ujx n LEU 90 Cb 0.00 -0.81 -0.07 0.00 0.53 0.00 0.00 43.42 43.08 1ujx n LEU 90 CO 0.00 -1.22 0.43 -0.44 -1.11 0.00 0.00 177.39 175.05 1ujx s SER 91 N -5.16 -0.73 0.00 1.96 0.01 -1.26 -2.18 113.70 106.34 1ujx s SER 91 Ca 0.66 1.32 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1ujx s SER 91 Cb -0.02 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.52 1ujx s SER 91 CO 0.45 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1ujx n GLY 92 N 2.39 4.19 3.17 3.44 0.00 0.26 -4.97 105.19 113.67 1ujx n GLY 92 Ca -0.15 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.60 1.56 -0.07 1.61 1.04 -1.26 -0.62 113.70 115.35 1ujx s SER 93 Ca 0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1ujx s SER 93 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1ujx s SER 93 CO 0.00 -0.15 -0.16 -0.76 0.98 0.00 0.00 173.24 173.16 1ujx s LEU 94 N -1.98 1.78 0.44 2.42 1.02 0.27 -4.92 118.68 117.71 1ujx s LEU 94 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1ujx s LEU 94 Cb -0.08 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.14 1ujx s LEU 94 CO 0.02 0.07 0.65 -0.44 0.02 0.00 0.00 176.35 176.67 1ujx s SER 95 N 0.55 5.78 -0.28 2.29 0.01 -1.26 -1.50 113.70 119.29 1ujx s SER 95 Ca -0.15 0.15 -0.28 0.00 1.31 0.00 0.00 55.95 56.98 1ujx s SER 95 Cb -0.16 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1ujx s SER 95 CO 0.05 -0.71 2.22 -0.76 0.41 0.00 0.00 173.24 174.45 1ujx s LEU 96 N -4.51 3.43 0.00 2.44 1.43 -1.26 -0.43 118.68 119.78 1ujx s LEU 96 Ca 0.49 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1ujx s LEU 96 Cb -0.10 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ujx s LEU 96 CO 0.37 -2.11 0.00 0.61 0.23 0.00 0.00 176.35 175.44 1ujx n GLY 97 N 5.78 1.29 3.62 -3.19 0.00 0.47 -4.99 105.19 108.17 1ujx n GLY 97 Ca 0.30 0.00 -0.35 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 0.38 -4.84 1.61 9.92 0.42 -4.41 116.55 119.64 1ujx n ASP 98 Ca 0.00 0.62 -0.22 0.00 -0.53 0.00 0.00 54.79 54.66 1ujx n ASP 98 Cb 0.00 -1.41 -0.04 0.00 -0.64 0.00 0.00 41.12 39.02 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 -1.95 4.48 -0.39 2.53 1.01 -1.26 -2.24 120.40 122.58 1ujx s VAL 99 Ca 0.72 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1ujx s VAL 99 Cb -0.32 -3.43 0.16 0.00 0.00 0.00 0.00 36.38 32.78 1ujx s VAL 99 CO 0.52 -0.34 0.31 -0.22 0.00 0.00 0.00 175.10 175.36 1ujx s LEU 100 N -3.86 1.06 -0.52 3.92 2.96 -1.13 -0.99 118.68 120.13 1ujx s LEU 100 Ca 0.33 -2.61 -0.26 0.00 -0.22 0.00 0.00 54.13 51.37 1ujx s LEU 100 Cb -0.08 -0.29 -0.06 0.00 0.50 0.00 0.00 46.19 46.27 1ujx s LEU 100 CO 0.25 -0.22 2.29 -0.31 -1.32 0.00 0.00 176.35 177.04 1ujx s TYR 101 N 0.54 1.20 0.14 5.38 2.02 -0.58 -3.14 117.35 122.90 1ujx s TYR 101 Ca 0.26 1.41 -0.25 0.00 -0.37 0.00 0.00 57.07 58.12 1ujx s TYR 101 Cb -0.07 -3.69 -0.04 0.00 -0.40 0.00 0.00 41.96 37.76 1ujx s TYR 101 CO -0.11 -2.48 1.29 1.28 -1.57 0.00 0.00 175.55 173.96 1ujx n LEU 102 N 15.28 -0.86 -3.73 -1.29 4.77 -1.00 -3.14 117.00 127.03 1ujx n LEU 102 Ca 0.33 1.49 -0.06 0.00 -0.03 0.00 0.00 56.01 57.74 1ujx n LEU 102 Cb 0.54 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1ujx n LEU 102 CO 0.71 -1.22 0.58 0.54 -1.33 0.00 0.00 177.39 176.67 1ujx s VAL 103 N -5.45 0.00 -0.99 4.08 0.11 -1.25 -4.53 120.40 112.38 1ujx s VAL 103 Ca -0.10 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1ujx s VAL 103 Cb 0.10 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1ujx s VAL 103 CO 0.53 0.00 0.04 -3.20 -3.33 0.00 0.00 175.10 169.13 1ujx n ASN 104 N -0.43 -3.69 -1.40 3.54 2.85 -1.26 0.44 115.26 115.31 1ujx n ASN 104 Ca -0.07 0.18 -0.12 0.00 -0.11 0.00 0.00 54.58 54.46 1ujx n ASN 104 Cb 0.61 -3.14 -0.05 0.00 1.24 0.00 0.00 39.78 38.44 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 -0.81 1.00 0.74 8.20 0.00 -1.26 -4.88 105.19 108.17 1ujx n GLY 105 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.89 0.99 4.77 0.17 -4.83 117.00 112.39 1ujx n LEU 106 Ca -0.12 -0.60 -0.38 0.00 -0.03 0.00 0.00 56.01 54.89 1ujx n LEU 106 Cb 0.39 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1ujx n LEU 106 CO 0.17 -0.21 -0.13 -1.22 -1.33 0.00 0.00 177.39 174.67 1ujx n TYR 107 N -0.52 -1.69 -2.51 -1.77 4.01 -1.26 -2.57 117.16 110.86 1ujx n TYR 107 Ca -0.02 0.32 -0.40 0.00 -0.16 0.00 0.00 57.90 57.64 1ujx n TYR 107 Cb 0.13 -3.01 -0.04 0.00 -0.31 0.00 0.00 39.34 36.10 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 -6.51 4.66 -0.34 -0.72 0.04 -1.26 -2.38 135.00 128.48 1ujx s PRO 108 Ca 0.40 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1ujx s PRO 108 Cb -0.20 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.22 1ujx s PRO 108 CO 0.92 0.23 0.06 -0.51 0.04 0.00 0.00 177.00 177.74 1ujx s LEU 109 N -1.30 4.55 -0.06 -3.56 2.01 -1.19 -4.79 118.68 114.34 1ujx s LEU 109 Ca 0.45 -1.85 -0.30 0.00 0.01 0.00 0.00 54.13 52.44 1ujx s LEU 109 Cb -0.31 -1.69 -0.03 0.00 0.01 0.00 0.00 46.19 44.17 1ujx s LEU 109 CO 0.39 -0.38 1.14 -0.89 1.01 0.00 0.00 176.35 177.63 1ujx s THR 110 N 1.06 4.40 -0.04 5.49 2.01 -0.94 -2.82 115.64 124.81 1ujx s THR 110 Ca 0.04 1.71 -0.28 0.00 0.31 0.00 0.00 61.69 63.47 1ujx s THR 110 Cb -0.20 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1ujx s THR 110 CO -0.05 0.01 0.91 -0.22 -0.69 0.00 0.00 174.62 174.57 1ujx s LEU 111 N 2.10 4.32 0.09 4.42 2.96 -0.95 0.18 118.68 131.82 1ujx s LEU 111 Ca 0.54 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 1ujx s LEU 111 Cb -0.23 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1ujx s LEU 111 CO 0.21 -0.27 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.75 1ujx s ARG 112 N 1.20 0.83 -0.04 1.98 1.81 0.98 -0.39 118.95 125.31 1ujx s ARG 112 Ca 0.47 -1.16 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 1ujx s ARG 112 Cb -0.19 -0.48 0.01 0.00 -0.45 0.00 0.00 34.95 33.83 1ujx s ARG 112 CO 0.23 0.07 -0.12 -0.46 -0.68 0.00 0.00 175.30 174.33 1ujx s TRP 113 N -2.53 1.33 0.29 -0.53 -0.11 -1.26 -0.51 118.94 115.63 1ujx s TRP 113 Ca 0.05 -0.41 -0.29 0.00 1.22 0.00 0.00 56.10 56.68 1ujx s TRP 113 Cb -0.02 -0.94 -0.10 0.00 -1.50 0.00 0.00 33.47 30.91 1ujx s TRP 113 CO -0.00 -0.18 1.10 0.45 -4.62 0.00 0.00 176.95 173.70 1ujx s SER 114 N 0.32 7.21 -0.29 5.86 0.15 0.13 -4.89 113.70 122.18 1ujx s SER 114 Ca -0.07 2.27 0.02 0.00 0.70 0.00 0.00 55.95 58.86 1ujx s SER 114 Cb -0.12 -2.62 0.19 0.00 -1.71 0.00 0.00 66.02 61.76 1ujx s SER 114 CO 0.02 -0.19 0.66 -0.83 1.20 0.00 0.00 173.24 174.10 1ujx s GLY 115 N -0.92 -1.12 0.70 9.45 0.00 -1.26 -3.50 107.32 110.67 1ujx s GLY 115 Ca 0.46 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 46.53 1ujx s GLY 115 CO 0.40 3.65 1.06 2.56 0.00 0.00 0.00 173.10 180.77 1ujx s PRO 116 N 2.86 2.91 0.42 2.90 0.04 -1.26 -5.08 135.00 137.79 1ujx s PRO 116 Ca 0.14 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.20 1ujx s PRO 116 Cb -0.11 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ujx s PRO 116 CO -0.24 -1.11 0.36 -1.54 0.04 0.00 0.00 177.00 174.51 1ujx s SER 117 N -3.80 4.99 0.19 6.66 1.04 -1.26 -4.99 113.70 116.52 1ujx s SER 117 Ca 0.58 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ujx s SER 117 Cb -0.14 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.44 1ujx s SER 117 CO 0.55 -0.66 0.00 -1.20 0.98 0.00 0.00 173.24 172.91 1ujx n SER 118 N -1.53 -6.56 0.00 7.02 7.64 -1.26 -5.24 113.62 113.69 1ujx n SER 118 Ca 0.03 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1ujx n SER 118 Cb 0.62 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64