#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 -0.45 0.08 1.61 0.15 -1.26 -5.18 113.70 108.65 1ujx s SER 2 Ca 0.00 0.58 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1ujx s SER 2 Cb 0.00 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1ujx s SER 2 CO 0.00 -0.35 -0.07 -0.55 1.20 0.00 0.00 173.24 173.47 1ujx s SER 3 N -0.82 1.05 -0.52 5.45 0.15 -1.26 -5.09 113.70 112.66 1ujx s SER 3 Ca -0.02 -0.85 0.07 0.00 0.70 0.00 0.00 55.95 55.85 1ujx s SER 3 Cb -0.01 0.07 0.28 0.00 -1.71 0.00 0.00 66.02 64.65 1ujx s SER 3 CO 0.02 -0.37 0.73 0.61 1.20 0.00 0.00 173.24 175.42 1ujx n GLY 4 N 0.48 4.29 3.81 9.45 0.00 -1.26 -5.10 105.19 116.86 1ujx n GLY 4 Ca -0.16 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.27 1ujx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 5 N -2.34 4.20 -1.12 1.61 0.01 -1.26 -4.96 113.70 109.84 1ujx s SER 5 Ca 0.41 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.65 1ujx s SER 5 Cb 0.21 -1.80 0.17 0.00 0.21 0.00 0.00 66.02 64.81 1ujx s SER 5 CO -0.07 -2.14 1.32 -0.94 0.41 0.00 0.00 173.24 171.82 1ujx s SER 6 N -4.03 6.96 0.19 2.44 1.04 -1.26 -4.83 113.70 114.22 1ujx s SER 6 Ca 0.62 -2.77 0.00 0.00 0.48 0.00 0.00 55.95 54.28 1ujx s SER 6 Cb -0.14 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ujx s SER 6 CO 0.53 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1ujx n GLY 7 N 4.40 -3.92 0.84 7.32 0.00 -1.26 -5.04 105.19 107.53 1ujx n GLY 7 Ca 0.32 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.43 0.11 -3.17 1.61 0.00 -1.26 -4.93 117.12 109.04 1ujx n MET 8 Ca 0.00 0.05 -0.45 0.00 0.00 0.00 0.00 57.70 57.30 1ujx n MET 8 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 33.22 32.48 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ujx s SER 9 N -5.79 6.22 -0.33 7.83 0.15 -1.26 -4.88 113.70 115.64 1ujx s SER 9 Ca -0.07 -1.60 -0.08 0.00 0.70 0.00 0.00 55.95 54.90 1ujx s SER 9 Cb 0.02 -2.28 0.19 0.00 -1.71 0.00 0.00 66.02 62.24 1ujx s SER 9 CO 0.09 -1.02 1.03 -1.58 1.20 0.00 0.00 173.24 172.96 1ujx s GLN 10 N 2.28 0.21 -0.01 5.44 -0.44 -1.26 -5.13 119.66 120.75 1ujx s GLN 10 Ca 0.10 -0.08 -0.40 0.00 -2.50 0.00 0.00 55.36 52.48 1ujx s GLN 10 Cb -0.25 0.02 -0.19 0.00 -1.64 0.00 0.00 33.01 30.95 1ujx s GLN 10 CO 0.04 -0.30 1.13 1.28 0.50 0.00 0.00 175.29 177.94 1ujx n LEU 11 N 3.67 0.29 0.00 3.68 4.77 -1.26 -4.76 117.00 123.39 1ujx n LEU 11 Ca 0.06 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1ujx n LEU 11 Cb 0.63 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ujx n LEU 11 CO -0.11 -1.73 0.00 0.61 -1.33 0.00 0.00 177.39 174.83 1ujx n GLY 12 N 1.76 -1.42 3.46 -0.72 0.00 -1.26 -5.18 105.19 101.84 1ujx n GLY 12 Ca 0.20 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 3.52 0.08 1.61 0.01 -1.26 -5.10 113.70 112.55 1ujx s SER 13 Ca 0.00 -1.03 -0.31 0.00 1.31 0.00 0.00 55.95 55.92 1ujx s SER 13 Cb 0.00 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.87 1ujx s SER 13 CO 0.00 0.02 1.33 0.00 0.41 0.00 0.00 173.24 175.01 1ujx s ARG 14 N -3.52 4.35 1.09 12.44 1.70 -1.26 -5.00 118.95 128.75 1ujx s ARG 14 Ca 0.29 1.96 -0.15 0.00 -0.47 0.00 0.00 55.73 57.37 1ujx s ARG 14 Cb -0.05 -3.33 0.22 0.00 -0.57 0.00 0.00 34.95 31.22 1ujx s ARG 14 CO 0.14 -0.40 0.47 0.41 -1.08 0.00 0.00 175.30 174.84 1ujx n GLY 15 N 3.43 -2.73 2.97 3.88 0.00 -1.26 -5.02 105.19 106.46 1ujx n GLY 15 Ca 0.11 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.78 0.89 0.19 1.61 1.81 -1.22 -4.90 118.95 113.55 1ujx s ARG 16 Ca 0.41 -0.24 -0.24 0.00 -1.72 0.00 0.00 55.73 53.94 1ujx s ARG 16 Cb -0.07 -0.85 -0.08 0.00 -0.45 0.00 0.00 34.95 33.50 1ujx s ARG 16 CO 0.36 0.06 0.77 -0.51 -0.68 0.00 0.00 175.30 175.30 1ujx s LEU 17 N 0.36 4.51 0.19 2.53 1.43 -1.26 -0.40 118.68 126.05 1ujx s LEU 17 Ca -0.05 1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 54.41 1ujx s LEU 17 Cb -0.10 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.77 1ujx s LEU 17 CO 0.00 0.15 0.67 -1.66 0.23 0.00 0.00 176.35 175.75 1ujx s TRP 18 N -1.27 -0.39 -0.05 0.29 1.48 -0.78 -1.81 118.94 116.41 1ujx s TRP 18 Ca 0.38 0.09 -0.03 0.00 -1.06 0.00 0.00 56.10 55.48 1ujx s TRP 18 Cb -0.21 0.62 -0.04 0.00 -1.16 0.00 0.00 33.47 32.68 1ujx s TRP 18 CO 0.25 -0.97 0.09 -0.51 -4.06 0.00 0.00 176.95 171.74 1ujx s LEU 19 N -2.80 4.00 -0.54 -4.66 1.43 -1.11 -0.06 118.68 114.94 1ujx s LEU 19 Ca 0.05 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1ujx s LEU 19 Cb -0.03 -2.16 0.14 0.00 0.03 0.00 0.00 46.19 44.17 1ujx s LEU 19 CO -0.05 0.33 0.33 -1.58 0.23 0.00 0.00 176.35 175.61 1ujx s GLN 20 N -1.40 2.28 0.42 1.70 0.74 0.17 -4.00 119.66 119.57 1ujx s GLN 20 Ca 0.19 -2.33 -0.22 0.00 0.05 0.00 0.00 55.36 53.05 1ujx s GLN 20 Cb -0.12 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.29 1ujx s GLN 20 CO 0.09 -1.13 0.99 -1.54 -0.55 0.00 0.00 175.29 173.16 1ujx s SER 21 N 0.84 6.82 0.87 6.67 1.04 -1.26 -3.66 113.70 125.02 1ujx s SER 21 Ca 0.14 1.84 -0.12 0.00 0.48 0.00 0.00 55.95 58.29 1ujx s SER 21 Cb -0.22 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.46 1ujx s SER 21 CO -0.03 -0.44 1.12 -2.16 0.98 0.00 0.00 173.24 172.71 1ujx s PRO 22 N -2.89 1.45 0.43 4.02 0.04 -1.26 -4.90 135.00 131.89 1ujx s PRO 22 Ca 0.61 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1ujx s PRO 22 Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ujx s PRO 22 CO 0.19 -2.01 0.00 2.41 0.04 0.00 0.00 177.00 177.63 1ujx n THR 23 N -3.66 -0.04 0.23 1.26 -1.04 -1.26 -4.12 114.28 105.65 1ujx n THR 23 Ca 0.07 0.44 -0.08 0.00 -2.04 0.00 0.00 64.05 62.44 1ujx n THR 23 Cb 0.58 -0.86 0.07 0.00 -1.82 0.00 0.00 70.33 68.30 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 -4.06 2.82 0.00 3.41 0.00 -1.26 -4.77 105.19 101.33 1ujx n GLY 24 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.06 -2.69 3.81 -0.02 0.00 -1.26 -4.92 105.19 100.06 1ujx n GLY 25 Ca 0.20 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 3.30 0.99 1.61 0.04 -1.26 -5.05 135.00 134.63 1ujx s PRO 26 Ca 0.00 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1ujx s PRO 26 Cb 0.00 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.69 1ujx s PRO 26 CO 0.00 -0.82 1.18 -1.25 0.04 0.00 0.00 177.00 176.15 1ujx s PRO 27 N -4.28 0.46 -0.35 0.56 0.04 -1.26 -4.83 135.00 125.35 1ujx s PRO 27 Ca 0.62 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 1ujx s PRO 27 Cb -0.15 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ujx s PRO 27 CO 0.40 -2.61 1.37 -1.25 0.04 0.00 0.00 177.00 174.96 1ujx s PRO 28 N -5.46 3.75 0.10 0.56 0.04 -1.26 -4.89 135.00 127.83 1ujx s PRO 28 Ca 0.68 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 1ujx s PRO 28 Cb -0.11 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.41 1ujx s PRO 28 CO 0.54 -1.34 0.85 0.42 0.04 0.00 0.00 177.00 177.51 1ujx s ILE 29 N 4.92 4.56 -0.45 0.56 1.09 -1.26 -4.94 121.20 125.69 1ujx s ILE 29 Ca 0.60 1.83 -0.17 0.00 -1.10 0.00 0.00 60.65 61.80 1ujx s ILE 29 Cb -0.16 -4.21 0.04 0.00 -1.06 0.00 0.00 42.46 37.07 1ujx s ILE 29 CO 0.28 0.37 0.47 -0.36 -0.10 0.00 0.00 174.94 175.60 1ujx s PHE 30 N -0.23 3.16 0.70 3.97 0.40 -1.26 -2.74 117.98 121.98 1ujx s PHE 30 Ca 0.41 -0.51 -0.16 0.00 -0.60 0.00 0.00 56.93 56.07 1ujx s PHE 30 Cb -0.22 -3.07 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1ujx s PHE 30 CO 0.26 -0.79 0.95 1.28 0.70 0.00 0.00 175.22 177.63 1ujx n LEU 31 N 5.65 3.47 -4.65 -0.37 4.77 -0.75 -4.89 117.00 120.23 1ujx n LEU 31 Ca -0.08 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1ujx n LEU 31 Cb 0.46 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1ujx n LEU 31 CO 0.48 -2.04 1.11 -2.16 -1.33 0.00 0.00 177.39 173.44 1ujx s PRO 32 N -3.21 4.15 0.26 3.23 0.04 -1.26 -4.75 135.00 133.46 1ujx s PRO 32 Ca 0.74 1.59 0.13 0.00 0.04 0.00 0.00 61.00 63.50 1ujx s PRO 32 Cb -0.36 -3.80 0.18 0.00 0.04 0.00 0.00 34.50 30.56 1ujx s PRO 32 CO 0.50 -0.81 1.49 1.03 0.04 0.00 0.00 177.00 179.25 1ujx h SER 33 N 8.53 0.00 -0.95 6.66 0.87 -1.90 -3.11 113.55 123.64 1ujx h SER 33 Ca -0.27 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 60.57 1ujx h SER 33 Cb 1.10 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 1ujx h SER 33 CO 0.98 0.63 0.74 -0.78 -0.53 0.00 0.00 176.83 177.87 1ujx h ASP 34 N 0.00 0.00 0.00 6.23 3.58 -1.90 -3.44 116.42 120.89 1ujx h ASP 34 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ujx h ASP 34 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1ujx h ASP 34 CO 0.08 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.05 1ujx n GLY 35 N -1.70 1.36 3.27 -0.78 0.00 -1.18 -5.11 105.19 101.05 1ujx n GLY 35 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 -2.17 -3.97 1.61 6.02 -1.26 -4.81 117.38 112.76 1ujx n GLN 36 Ca 0.00 -0.62 -0.34 0.00 -0.01 0.00 0.00 57.00 56.02 1ujx n GLN 36 Cb 0.00 -1.78 -0.14 0.00 1.02 0.00 0.00 30.24 29.34 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 -2.23 2.68 -0.53 -1.58 0.00 -1.26 -4.27 121.76 114.56 1ujx s ALA 37 Ca 0.57 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 1ujx s ALA 37 Cb -0.14 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.44 1ujx s ALA 37 CO 0.61 -0.56 0.76 -1.17 0.00 0.00 0.00 175.76 175.40 1ujx s LEU 38 N 1.39 4.64 -0.13 0.00 2.96 0.48 -4.85 118.68 123.17 1ujx s LEU 38 Ca 0.04 -0.73 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 1ujx s LEU 38 Cb -0.15 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ujx s LEU 38 CO -0.06 -1.05 1.20 -0.69 -1.32 0.00 0.00 176.35 174.43 1ujx s VAL 39 N 3.18 4.35 0.21 1.68 1.01 -1.26 -1.35 120.40 128.22 1ujx s VAL 39 Ca 0.21 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.90 1ujx s VAL 39 Cb -0.17 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1ujx s VAL 39 CO 0.14 -0.09 0.13 -0.76 0.00 0.00 0.00 175.10 174.53 1ujx s LEU 40 N 2.91 3.71 0.00 3.92 1.43 -0.93 -4.95 118.68 124.77 1ujx s LEU 40 Ca 0.53 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1ujx s LEU 40 Cb -0.22 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1ujx s LEU 40 CO 0.16 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1ujx n GLY 41 N -0.69 -0.49 3.75 -3.19 0.00 -1.25 -2.31 105.19 101.00 1ujx n GLY 41 Ca -0.08 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.97 4.23 0.00 1.61 0.52 -1.25 -4.28 118.95 117.81 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 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1ujx s ARG 42 CO 0.00 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1ujx n GLY 43 N 1.85 0.96 0.00 -3.53 0.00 0.13 -4.64 105.19 99.97 1ujx n GLY 43 Ca 0.06 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 0.62 0.41 1.61 -0.04 -1.26 -1.40 135.00 134.93 1ujx n PRO 44 Ca 0.00 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 1ujx n PRO 44 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -0.98 -2.98 1.53 -0.00 -1.88 -3.32 115.31 107.68 1ujx h LEU 45 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1ujx h LEU 45 Cb 0.07 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1ujx h LEU 45 CO 0.00 -0.66 0.00 0.35 -0.00 0.00 0.00 178.44 178.13 1ujx n THR 46 N -5.00 1.08 -1.29 0.22 -2.24 -1.24 -4.86 114.28 100.96 1ujx n THR 46 Ca -0.13 -1.10 -0.10 0.00 -2.27 0.00 0.00 64.05 60.45 1ujx n THR 46 Cb 0.43 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.35 -1.14 -2.67 -0.78 1.13 -0.50 -4.73 117.38 108.34 1ujx n GLN 47 Ca 0.04 0.80 -0.42 0.00 -1.94 0.00 0.00 57.00 55.48 1ujx n GLN 47 Cb 0.33 -4.90 -0.03 0.00 0.11 0.00 0.00 30.24 25.75 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 -2.14 4.75 -0.08 5.09 1.01 -1.09 -4.88 120.40 123.05 1ujx s VAL 48 Ca 0.00 1.98 0.14 0.00 0.00 0.00 0.00 61.98 64.11 1ujx s VAL 48 Cb 0.00 -4.27 0.29 0.00 0.00 0.00 0.00 36.38 32.40 1ujx s VAL 48 CO 0.00 0.16 1.13 0.35 0.00 0.00 0.00 175.10 176.75 1ujx n THR 49 N 3.84 0.92 -3.29 3.92 -2.24 -1.26 -0.69 114.28 115.48 1ujx n THR 49 Ca 0.06 -1.55 -0.35 0.00 -2.27 0.00 0.00 64.05 59.94 1ujx n THR 49 Cb 0.50 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.23 6.87 0.18 3.42 -1.08 -1.26 -4.98 116.67 117.58 1ujx s ASP 50 Ca 0.26 1.16 -0.10 0.00 -0.52 0.00 0.00 52.55 53.35 1ujx s ASP 50 Cb 0.26 -2.32 0.06 0.00 -1.46 0.00 0.00 42.92 39.47 1ujx s ASP 50 CO -0.06 0.07 1.64 0.03 0.52 0.00 0.00 175.17 177.37 1ujx h ARG 51 N 3.44 1.04 0.00 4.34 2.47 -2.04 -1.75 114.38 121.88 1ujx h ARG 51 Ca -0.48 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 57.91 1ujx h ARG 51 Cb 1.19 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1ujx h ARG 51 CO 0.66 1.02 0.21 0.87 0.56 0.00 0.00 179.97 183.28 1ujx h LYS 52 N 0.94 0.00 -5.84 0.04 1.79 -2.04 -3.38 116.57 108.09 1ujx h LYS 52 Ca 0.17 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.07 1ujx h LYS 52 Cb 0.53 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 1ujx h LYS 52 CO 0.03 0.00 -0.05 0.00 -1.08 0.00 0.00 179.45 178.34 1ujx s SER 54 N 0.70 4.91 0.41 0.00 0.15 -1.26 -4.47 113.70 114.14 1ujx s SER 54 Ca 0.30 0.00 0.31 0.00 0.70 0.00 0.00 55.95 57.26 1ujx s SER 54 Cb -0.16 -1.49 1.38 0.00 -1.71 0.00 0.00 66.02 64.04 1ujx s SER 54 CO 0.13 0.30 1.43 -1.14 1.20 0.00 0.00 173.24 175.16 1ujx n ARG 55 N 2.65 -0.03 -2.87 5.44 0.63 -1.26 0.89 116.66 122.10 1ujx n ARG 55 Ca -0.18 1.14 -0.25 0.00 -0.92 0.00 0.00 57.85 57.64 1ujx n ARG 55 Cb 0.53 -2.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.14 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 -4.50 3.86 -0.15 6.15 0.23 -1.26 -3.90 115.26 115.69 1ujx n ASN 56 Ca 0.37 -3.55 -0.08 0.00 -0.53 0.00 0.00 54.58 50.79 1ujx n ASN 56 Cb 1.46 -0.55 0.01 0.00 -2.08 0.00 0.00 39.78 38.62 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 2.91 0.65 -3.52 -3.83 5.75 0.92 -3.06 115.11 114.93 1ujx h GLN 57 Ca 0.15 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1ujx h GLN 57 Cb 0.68 -0.12 -0.15 0.00 1.07 0.00 0.00 27.48 28.96 1ujx h GLN 57 CO 0.76 0.54 -0.27 0.14 -2.65 0.00 0.00 178.83 177.36 1ujx s VAL 58 N -5.74 0.10 -0.35 2.39 -7.23 -1.23 -2.43 120.40 105.92 1ujx s VAL 58 Ca -0.13 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.14 1ujx s VAL 58 Cb 0.11 -1.11 0.06 0.00 0.56 0.00 0.00 36.38 35.99 1ujx s VAL 58 CO 0.75 -0.47 0.11 -0.70 -0.31 0.00 0.00 175.10 174.48 1ujx s GLU 59 N -3.23 2.48 0.00 4.82 2.12 0.12 -2.19 118.70 122.82 1ujx s GLU 59 Ca -0.00 -1.33 -0.19 0.00 0.36 0.00 0.00 54.97 53.81 1ujx s GLU 59 Cb 0.02 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 1ujx s GLU 59 CO -0.08 -0.74 0.54 -0.51 -0.54 0.00 0.00 175.26 173.93 1ujx s LEU 60 N 1.33 4.44 -0.13 2.70 1.02 -0.45 -2.49 118.68 125.09 1ujx s LEU 60 Ca -0.01 1.11 -0.02 0.00 0.02 0.00 0.00 54.13 55.23 1ujx s LEU 60 Cb -0.20 -2.83 0.04 0.00 0.02 0.00 0.00 46.19 43.22 1ujx s LEU 60 CO 0.01 0.17 0.03 -0.63 0.02 0.00 0.00 176.35 175.94 1ujx s ILE 61 N -0.46 0.36 -0.05 -0.59 1.01 -0.95 0.18 121.20 120.70 1ujx s ILE 61 Ca 0.29 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1ujx s ILE 61 Cb -0.18 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1ujx s ILE 61 CO 0.16 0.01 1.24 0.00 0.00 0.00 0.00 174.94 176.35 1ujx s ALA 62 N 1.96 3.52 -0.55 9.38 0.00 -1.25 -2.31 121.76 132.50 1ujx s ALA 62 Ca 0.02 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1ujx s ALA 62 Cb -0.15 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.58 1ujx s ALA 62 CO -0.07 -0.81 0.30 0.34 0.00 0.00 0.00 175.76 175.53 1ujx s ASP 63 N 1.57 4.42 0.00 0.00 -1.08 0.42 -4.50 116.67 117.49 1ujx s ASP 63 Ca 0.57 -3.13 0.22 0.00 -0.52 0.00 0.00 52.55 49.68 1ujx s ASP 63 Cb -0.26 -1.65 1.29 0.00 -1.46 0.00 0.00 42.92 40.85 1ujx s ASP 63 CO 0.22 -0.21 1.69 -0.81 0.52 0.00 0.00 175.17 176.58 1ujx n PRO 64 N 2.95 0.75 0.16 4.34 -0.04 -1.26 -0.83 135.00 141.07 1ujx n PRO 64 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1ujx n PRO 64 Cb 0.33 -1.45 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.00 0.00 0.54 4.81 -1.92 -3.36 114.58 114.65 1ujx h GLU 65 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1ujx h GLU 65 Cb 0.00 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.22 1ujx h GLU 65 CO 0.00 0.29 -0.57 0.43 -0.73 0.00 0.00 179.01 178.43 1ujx n SER 66 N -3.13 0.17 -4.30 1.04 7.64 -1.05 -5.00 113.62 109.00 1ujx n SER 66 Ca 0.02 -1.84 -0.34 0.00 1.01 0.00 0.00 58.87 57.72 1ujx n SER 66 Cb 0.67 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.18 -1.61 -4.60 1.43 3.00 -0.01 -4.92 116.66 110.13 1ujx n ARG 67 Ca -0.03 0.20 -0.28 0.00 -0.01 0.00 0.00 57.85 57.73 1ujx n ARG 67 Cb 0.83 -4.23 -0.09 0.00 0.00 0.00 0.00 32.46 28.97 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 -3.89 1.02 -0.19 0.55 -4.23 -0.14 -4.15 115.64 104.61 1ujx s THR 68 Ca 0.30 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 1ujx s THR 68 Cb -0.17 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.34 1ujx s THR 68 CO 0.98 0.00 0.41 -0.69 -0.54 0.00 0.00 174.62 174.78 1ujx s VAL 69 N -3.05 -0.42 0.24 2.29 1.01 -0.68 -0.44 120.40 119.35 1ujx s VAL 69 Ca 0.20 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1ujx s VAL 69 Cb 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1ujx s VAL 69 CO 0.11 0.06 0.72 0.00 0.00 0.00 0.00 175.10 175.99 1ujx s ALA 70 N 2.19 3.40 -0.20 5.51 0.00 -0.98 0.18 121.76 131.85 1ujx s ALA 70 Ca -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1ujx s ALA 70 Cb -0.11 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.28 1ujx s ALA 70 CO -0.13 0.33 0.02 0.08 0.00 0.00 0.00 175.76 176.07 1ujx s VAL 71 N -1.64 0.69 -0.16 0.00 1.01 0.08 -2.24 120.40 118.15 1ujx s VAL 71 Ca 0.46 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1ujx s VAL 71 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1ujx s VAL 71 CO 0.20 -0.21 -0.04 -0.75 0.00 0.00 0.00 175.10 174.30 1ujx s LYS 72 N 1.78 3.64 -0.35 2.72 2.20 -1.04 -0.55 119.74 128.14 1ujx s LYS 72 Ca -0.01 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 54.81 1ujx s LYS 72 Cb -0.17 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1ujx s LYS 72 CO -0.08 0.22 0.88 -1.14 -0.36 0.00 0.00 175.35 174.87 1ujx s GLN 73 N 0.42 3.87 0.00 4.03 0.74 -0.85 0.12 119.66 127.99 1ujx s GLN 73 Ca -0.04 0.57 0.04 0.00 0.05 0.00 0.00 55.36 55.98 1ujx s GLN 73 Cb -0.14 -3.78 0.10 0.00 1.10 0.00 0.00 33.01 30.29 1ujx s GLN 73 CO 0.03 -0.87 1.01 1.28 -0.55 0.00 0.00 175.29 176.19 1ujx n LEU 74 N 6.59 2.16 0.00 3.68 4.77 -1.02 -1.52 117.00 131.67 1ujx n LEU 74 Ca 0.06 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1ujx n LEU 74 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ujx n LEU 74 CO 0.56 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1ujx n GLY 75 N -0.03 2.29 0.60 -0.72 0.00 -1.09 -4.82 105.19 101.42 1ujx n GLY 75 Ca 0.04 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 0.39 -1.97 1.61 3.14 -1.26 -4.76 118.33 115.47 1ujx n VAL 76 Ca 0.00 -0.11 -0.41 0.00 -2.96 0.00 0.00 64.34 60.86 1ujx n VAL 76 Cb 0.00 -1.39 -0.02 0.00 -1.06 0.00 0.00 33.84 31.37 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 -5.41 6.59 0.03 6.55 -0.87 -1.26 -4.75 114.94 115.83 1ujx s ASN 77 Ca -0.10 2.78 -0.30 0.00 -1.57 0.00 0.00 52.86 53.67 1ujx s ASN 77 Cb 0.03 -2.64 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 1ujx s ASN 77 CO 0.13 -0.71 1.18 -2.16 -2.57 0.00 0.00 177.10 172.97 1ujx s PRO 78 N -1.10 4.43 0.23 -0.60 0.04 -1.26 -4.92 135.00 131.82 1ujx s PRO 78 Ca 0.56 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.37 1ujx s PRO 78 Cb -0.43 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1ujx s PRO 78 CO 0.50 -0.27 0.29 -1.12 0.04 0.00 0.00 177.00 176.44 1ujx s SER 79 N 1.14 6.04 -0.19 6.66 0.01 -1.26 -4.61 113.70 121.49 1ujx s SER 79 Ca 0.58 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 1ujx s SER 79 Cb -0.28 -1.71 0.01 0.00 0.21 0.00 0.00 66.02 64.26 1ujx s SER 79 CO 0.28 -0.04 -0.14 -0.89 0.41 0.00 0.00 173.24 172.85 1ujx s THR 80 N -2.00 2.55 -1.11 1.44 2.01 -1.22 0.19 115.64 117.49 1ujx s THR 80 Ca 0.34 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1ujx s THR 80 Cb -0.09 -2.11 0.25 0.00 0.01 0.00 0.00 72.50 70.57 1ujx s THR 80 CO 0.27 0.50 1.15 -0.69 -0.69 0.00 0.00 174.62 175.16 1ujx s VAL 81 N 1.35 5.80 0.00 3.82 1.01 0.23 -1.67 120.40 130.94 1ujx s VAL 81 Ca 0.05 -3.20 0.00 0.00 0.00 0.00 0.00 61.98 58.83 1ujx s VAL 81 Cb -0.13 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1ujx s VAL 81 CO -0.09 -1.26 0.00 0.61 0.00 0.00 0.00 175.10 174.36 1ujx n GLY 82 N 3.07 0.81 0.19 4.51 0.00 0.11 -3.79 105.19 110.09 1ujx n GLY 82 Ca 0.25 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 0.44 -4.91 1.61 3.14 -1.26 -4.74 118.33 112.60 1ujx n VAL 83 Ca 0.00 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.62 1ujx n VAL 83 Cb 0.00 0.56 -0.16 0.00 -1.06 0.00 0.00 33.84 33.18 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 -0.59 1.84 0.29 1.45 0.74 -1.25 -5.13 119.66 117.01 1ujx s GLN 84 Ca 0.05 -0.66 -0.26 0.00 0.05 0.00 0.00 55.36 54.53 1ujx s GLN 84 Cb 0.04 -1.62 -0.09 0.00 1.10 0.00 0.00 33.01 32.43 1ujx s GLN 84 CO 0.00 0.30 0.91 -2.00 -0.55 0.00 0.00 175.29 173.95 1ujx s GLU 85 N -0.09 4.61 0.42 1.67 2.56 -1.26 -0.60 118.70 126.01 1ujx s GLU 85 Ca -0.01 1.31 0.07 0.00 0.00 0.00 0.00 54.97 56.33 1ujx s GLU 85 Cb -0.11 -2.94 0.07 0.00 2.00 0.00 0.00 34.13 33.15 1ujx s GLU 85 CO 0.02 0.36 0.55 1.28 -0.56 0.00 0.00 175.26 176.91 1ujx n LEU 86 N 0.84 0.00 -4.24 2.70 4.77 0.50 -4.89 117.00 116.67 1ujx n LEU 86 Ca 0.00 -1.88 -0.14 0.00 -0.03 0.00 0.00 56.01 53.97 1ujx n LEU 86 Cb 0.49 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1ujx n LEU 86 CO 0.46 -0.64 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.09 1ujx s LYS 87 N -3.90 1.27 -0.41 3.23 3.01 -1.26 -4.40 119.74 117.28 1ujx s LYS 87 Ca 0.42 -1.67 -0.29 0.00 -1.01 0.00 0.00 55.97 53.42 1ujx s LYS 87 Cb -0.03 0.07 0.01 0.00 -1.01 0.00 0.00 37.83 36.86 1ujx s LYS 87 CO 0.27 -0.35 1.41 -1.25 0.51 0.00 0.00 175.35 175.94 1ujx s PRO 88 N -4.11 3.58 0.00 -1.68 0.04 -1.26 -2.17 135.00 129.40 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 0.07 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1ujx s PRO 88 CO 0.12 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1ujx n GLY 89 N 5.06 0.69 3.97 0.56 0.00 -0.58 -5.06 105.19 109.83 1ujx n GLY 89 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 2.84 -0.25 0.99 2.96 -0.92 -4.86 118.68 119.43 1ujx s LEU 90 Ca 0.00 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1ujx s LEU 90 Cb 0.00 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.79 1ujx s LEU 90 CO 0.00 -2.43 0.65 -0.44 -1.32 0.00 0.00 176.35 172.81 1ujx s SER 91 N -4.87 -0.80 0.00 3.68 0.01 -1.26 -2.00 113.70 108.46 1ujx s SER 91 Ca 0.72 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1ujx s SER 91 Cb -0.03 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1ujx s SER 91 CO 0.49 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1ujx n GLY 92 N 3.71 4.48 3.14 3.44 0.00 0.29 -4.96 105.19 115.29 1ujx n GLY 92 Ca -0.18 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.55 1.33 -0.09 1.61 0.01 -1.26 -0.74 113.70 114.00 1ujx s SER 93 Ca 0.00 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.62 1ujx s SER 93 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1ujx s SER 93 CO 0.00 -0.19 -0.18 -0.76 0.41 0.00 0.00 173.24 172.53 1ujx s LEU 94 N -1.96 1.84 0.42 2.44 1.02 0.47 -4.91 118.68 118.00 1ujx s LEU 94 Ca -0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 1ujx s LEU 94 Cb -0.07 -1.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 1ujx s LEU 94 CO 0.01 0.07 0.64 -0.44 0.02 0.00 0.00 176.35 176.65 1ujx s SER 95 N 0.65 6.08 -0.26 2.29 0.01 -1.26 -1.68 113.70 119.53 1ujx s SER 95 Ca -0.13 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 1ujx s SER 95 Cb -0.16 -1.85 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 1ujx s SER 95 CO 0.04 -0.52 2.22 0.18 0.41 0.00 0.00 173.24 175.56 1ujx n LEU 96 N -2.00 2.89 0.00 2.44 4.77 -1.26 -0.17 117.00 123.68 1ujx n LEU 96 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ujx n LEU 96 Cb 0.57 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1ujx n LEU 96 CO 0.49 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1ujx n GLY 97 N 6.03 1.97 3.49 -0.72 0.00 0.11 -5.00 105.19 111.08 1ujx n GLY 97 Ca 0.34 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1ujx n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujx n ASP 98 N 0.13 -0.75 -4.96 1.61 9.92 0.76 -4.35 116.55 118.90 1ujx n ASP 98 Ca 0.00 0.73 -0.22 0.00 -0.53 0.00 0.00 54.79 54.78 1ujx n ASP 98 Cb 0.00 -1.21 -0.02 0.00 -0.64 0.00 0.00 41.12 39.25 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 -1.70 5.25 -0.39 2.53 1.01 -1.26 -2.27 120.40 123.57 1ujx s VAL 99 Ca 0.70 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1ujx s VAL 99 Cb -0.43 -3.85 0.16 0.00 0.00 0.00 0.00 36.38 32.26 1ujx s VAL 99 CO 0.53 -0.33 0.30 -0.22 0.00 0.00 0.00 175.10 175.37 1ujx s LEU 100 N -3.95 1.09 -0.54 3.92 2.96 -1.17 0.06 118.68 121.05 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 -0.32 -0.07 0.00 0.50 0.00 0.00 46.19 46.21 1ujx s LEU 100 CO 0.30 -0.23 2.35 -0.31 -1.32 0.00 0.00 176.35 177.14 1ujx s TYR 101 N 0.56 1.14 0.15 5.38 2.02 -0.67 -2.17 117.35 123.76 1ujx s TYR 101 Ca 0.26 1.53 -0.24 0.00 -0.37 0.00 0.00 57.07 58.25 1ujx s TYR 101 Cb -0.08 -3.62 0.01 0.00 -0.40 0.00 0.00 41.96 37.87 1ujx s TYR 101 CO -0.10 -2.39 1.34 -0.11 -1.57 0.00 0.00 175.55 172.72 1ujx n LEU 102 N 15.92 -0.83 -3.83 -1.29 0.00 -0.78 -3.45 117.00 122.74 1ujx n LEU 102 Ca 0.36 1.54 -0.07 0.00 0.00 0.00 0.00 56.01 57.85 1ujx n LEU 102 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 43.42 43.71 1ujx n LEU 102 CO 0.69 -1.29 0.56 0.54 0.00 0.00 0.00 177.39 177.90 1ujx s VAL 103 N -5.53 0.00 -1.14 1.96 0.11 -1.23 -4.67 120.40 109.90 1ujx s VAL 103 Ca -0.11 -0.91 -0.12 0.00 -2.93 0.00 0.00 61.98 57.91 1ujx s VAL 103 Cb 0.12 -2.33 0.12 0.00 -1.53 0.00 0.00 36.38 32.76 1ujx s VAL 103 CO 0.56 0.00 0.39 -3.20 -3.33 0.00 0.00 175.10 169.52 1ujx n ASN 104 N -0.80 -2.14 -1.52 3.54 2.85 -1.26 0.18 115.26 116.11 1ujx n ASN 104 Ca -0.06 -0.47 -0.08 0.00 -0.11 0.00 0.00 54.58 53.86 1ujx n ASN 104 Cb 0.60 -1.86 -0.03 0.00 1.24 0.00 0.00 39.78 39.73 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 -0.93 0.46 0.54 8.20 0.00 -1.26 -4.86 105.19 107.34 1ujx n GLY 105 Ca 0.04 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 -1.80 0.00 -3.95 0.99 4.77 0.49 -4.84 117.00 112.66 1ujx n LEU 106 Ca -0.08 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 1ujx n LEU 106 Cb 0.33 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1ujx n LEU 106 CO 0.12 -0.11 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.71 1ujx n TYR 107 N -0.28 -1.58 -2.45 -1.77 4.01 -1.26 -2.26 117.16 111.56 1ujx n TYR 107 Ca -0.03 0.21 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1ujx n TYR 107 Cb 0.09 -2.97 -0.03 0.00 -0.31 0.00 0.00 39.34 36.12 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 -6.88 4.40 -0.59 -0.72 0.04 -1.26 -1.87 135.00 128.12 1ujx s PRO 108 Ca 0.46 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 1ujx s PRO 108 Cb -0.23 -3.45 0.15 0.00 0.04 0.00 0.00 34.50 31.01 1ujx s PRO 108 CO 0.94 -0.33 0.49 -0.51 0.04 0.00 0.00 177.00 177.63 1ujx s LEU 109 N 1.56 5.98 0.19 -3.56 2.01 -0.92 -4.56 118.68 119.39 1ujx s LEU 109 Ca 0.57 -2.20 -0.30 0.00 0.01 0.00 0.00 54.13 52.21 1ujx s LEU 109 Cb -0.27 -2.08 -0.09 0.00 0.01 0.00 0.00 46.19 43.77 1ujx s LEU 109 CO 0.26 -0.65 1.36 -0.89 1.01 0.00 0.00 176.35 177.44 1ujx s THR 110 N 0.93 3.09 -0.11 5.49 2.01 -1.24 -3.06 115.64 122.75 1ujx s THR 110 Ca 0.10 0.87 -0.21 0.00 0.31 0.00 0.00 61.69 62.76 1ujx s THR 110 Cb -0.22 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1ujx s THR 110 CO -0.02 0.12 0.59 -0.22 -0.69 0.00 0.00 174.62 174.39 1ujx s LEU 111 N 0.14 4.27 0.29 4.42 2.96 -0.96 0.45 118.68 130.25 1ujx s LEU 111 Ca 0.59 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 1ujx s LEU 111 Cb -0.38 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.38 1ujx s LEU 111 CO 0.37 -0.08 0.07 -0.13 -1.32 0.00 0.00 176.35 175.26 1ujx s ARG 112 N 0.87 1.54 -0.02 1.98 1.81 0.91 0.09 118.95 126.13 1ujx s ARG 112 Ca 0.31 -1.84 0.00 0.00 -1.72 0.00 0.00 55.73 52.48 1ujx s ARG 112 Cb -0.16 -0.62 0.03 0.00 -0.45 0.00 0.00 34.95 33.74 1ujx s ARG 112 CO 0.13 -0.22 0.01 -0.46 -0.68 0.00 0.00 175.30 174.09 1ujx s TRP 113 N -3.48 0.18 -0.00 -0.53 -0.11 -1.26 -1.86 118.94 111.88 1ujx s TRP 113 Ca 0.36 0.06 -0.30 0.00 1.22 0.00 0.00 56.10 57.44 1ujx s TRP 113 Cb 0.08 -0.33 -0.04 0.00 -1.50 0.00 0.00 33.47 31.68 1ujx s TRP 113 CO 0.14 -0.11 1.15 0.45 -4.62 0.00 0.00 176.95 173.97 1ujx s SER 114 N 1.04 7.12 0.07 5.86 0.15 0.46 -4.90 113.70 123.51 1ujx s SER 114 Ca -0.09 1.86 -0.17 0.00 0.70 0.00 0.00 55.95 58.24 1ujx s SER 114 Cb -0.13 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1ujx s SER 114 CO -0.02 -0.48 0.41 -0.83 1.20 0.00 0.00 173.24 173.52 1ujx s GLY 115 N 1.21 -0.27 0.58 9.45 0.00 -1.26 -3.40 107.32 113.63 1ujx s GLY 115 Ca 0.56 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 45.32 1ujx s GLY 115 CO 0.26 -0.06 1.05 2.56 0.00 0.00 0.00 173.10 176.90 1ujx s PRO 116 N -2.87 3.40 -0.20 2.90 0.04 -1.26 -4.61 135.00 132.40 1ujx s PRO 116 Ca -0.03 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1ujx s PRO 116 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1ujx s PRO 116 CO -0.05 -0.74 0.16 0.45 0.04 0.00 0.00 177.00 176.86 1ujx n SER 117 N -1.95 -2.60 -4.14 6.66 2.88 -1.26 -5.07 113.62 108.14 1ujx n SER 117 Ca 0.08 1.23 -0.09 0.00 -1.33 0.00 0.00 58.87 58.77 1ujx n SER 117 Cb 0.53 -4.86 -0.10 0.00 -0.75 0.00 0.00 64.21 59.03 1ujx n SER 117 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujx s SER 118 N -0.87 0.83 0.00 -3.46 1.04 -1.26 -5.25 113.70 104.74 1ujx s SER 118 Ca -0.18 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1ujx s SER 118 Cb 0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ujx s SER 118 CO 0.71 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 175.01