#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 6.26 -0.06 1.61 0.15 -1.26 -5.04 113.70 115.35 1ujx s SER 2 Ca 0.00 -3.36 -0.24 0.00 0.70 0.00 0.00 55.95 53.04 1ujx s SER 2 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1ujx s SER 2 CO 0.00 -0.30 0.73 -0.94 1.20 0.00 0.00 173.24 173.93 1ujx s SER 3 N 0.70 7.02 -0.30 5.45 1.04 -1.26 -5.02 113.70 121.34 1ujx s SER 3 Ca 0.25 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 57.88 1ujx s SER 3 Cb -0.11 -2.43 0.19 0.00 0.10 0.00 0.00 66.02 63.77 1ujx s SER 3 CO -0.09 -0.14 0.74 -0.83 0.98 0.00 0.00 173.24 173.90 1ujx s GLY 4 N 0.84 -0.88 0.28 7.32 0.00 -1.26 -5.15 107.32 108.47 1ujx s GLY 4 Ca 0.39 1.97 -0.29 0.00 0.00 0.00 0.00 44.72 46.79 1ujx s GLY 4 CO 0.19 3.59 1.26 -0.45 0.00 0.00 0.00 173.10 177.68 1ujx s SER 5 N 2.88 6.93 -0.24 1.64 0.15 -1.26 -5.02 113.70 118.79 1ujx s SER 5 Ca 0.14 2.50 -0.02 0.00 0.70 0.00 0.00 55.95 59.27 1ujx s SER 5 Cb -0.12 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.68 1ujx s SER 5 CO -0.19 -0.44 0.30 -0.55 1.20 0.00 0.00 173.24 173.56 1ujx s SER 6 N -0.33 1.02 0.00 5.45 0.15 -1.26 -5.06 113.70 113.67 1ujx s SER 6 Ca 0.50 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1ujx s SER 6 Cb -0.37 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1ujx s SER 6 CO 0.46 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1ujx n GLY 7 N 5.33 0.69 3.70 9.45 0.00 -1.26 -5.08 105.19 118.03 1ujx n GLY 7 Ca -0.04 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 4.13 -0.06 1.61 1.00 -1.26 -4.95 119.30 119.78 1ujx s MET 8 Ca 0.00 2.60 -0.25 0.00 0.00 0.00 0.00 55.69 58.04 1ujx s MET 8 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 34.83 31.34 1ujx s MET 8 CO 0.00 -0.82 0.76 0.45 0.00 0.00 0.00 175.02 175.41 1ujx s SER 9 N 2.30 7.06 -1.26 3.03 0.15 -1.26 -4.97 113.70 118.75 1ujx s SER 9 Ca 0.79 1.28 -0.19 0.00 0.70 0.00 0.00 55.95 58.53 1ujx s SER 9 Cb -0.47 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.44 1ujx s SER 9 CO 0.35 -0.15 1.75 -1.10 1.20 0.00 0.00 173.24 175.29 1ujx s GLN 10 N 0.88 3.72 -0.18 5.44 1.11 -1.26 -4.93 119.66 124.45 1ujx s GLN 10 Ca 0.40 -1.81 -0.28 0.00 0.01 0.00 0.00 55.36 53.68 1ujx s GLN 10 Cb -0.18 -5.48 -0.06 0.00 -1.01 0.00 0.00 33.01 26.28 1ujx s GLN 10 CO 0.20 -2.53 2.18 -0.51 0.01 0.00 0.00 175.29 174.64 1ujx s LEU 11 N 5.37 3.60 0.00 2.90 1.43 -1.26 -4.48 118.68 126.24 1ujx s LEU 11 Ca 0.56 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1ujx s LEU 11 Cb 0.03 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1ujx s LEU 11 CO 0.08 -1.82 0.00 0.61 0.23 0.00 0.00 176.35 175.45 1ujx n GLY 12 N 5.57 -1.24 3.71 -3.19 0.00 -1.26 -5.13 105.19 103.65 1ujx n GLY 12 Ca 0.28 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1ujx n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujx s SER 13 N 0.00 6.73 0.42 1.61 0.15 -1.26 -5.01 113.70 116.34 1ujx s SER 13 Ca 0.00 2.43 0.08 0.00 0.70 0.00 0.00 55.95 59.16 1ujx s SER 13 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ujx s SER 13 CO 0.00 -0.73 0.51 -0.13 1.20 0.00 0.00 173.24 174.09 1ujx s ARG 14 N 1.26 2.73 0.80 5.44 0.52 -1.26 -5.06 118.95 123.38 1ujx s ARG 14 Ca 0.67 -1.34 -0.16 0.00 -0.52 0.00 0.00 55.73 54.38 1ujx s ARG 14 Cb -0.39 -2.63 -0.14 0.00 0.52 0.00 0.00 34.95 32.31 1ujx s ARG 14 CO 0.30 -0.25 -0.59 0.41 0.02 0.00 0.00 175.30 175.19 1ujx n GLY 15 N -1.75 -3.94 3.28 -3.53 0.00 -1.26 -5.00 105.19 92.99 1ujx n GLY 15 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1ujx n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujx s ARG 16 N -1.61 0.45 0.53 1.61 1.70 -1.14 -4.93 118.95 115.56 1ujx s ARG 16 Ca 0.40 0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 56.05 1ujx s ARG 16 Cb -0.23 0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.29 1ujx s ARG 16 CO 0.72 -0.06 0.99 -0.51 -1.08 0.00 0.00 175.30 175.36 1ujx s LEU 17 N 0.26 3.59 0.11 -1.89 1.43 -1.26 0.19 118.68 121.12 1ujx s LEU 17 Ca -0.00 1.57 -0.25 0.00 -1.03 0.00 0.00 54.13 54.42 1ujx s LEU 17 Cb -0.03 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.76 1ujx s LEU 17 CO -0.00 -0.64 0.71 -1.66 0.23 0.00 0.00 176.35 174.99 1ujx s TRP 18 N -2.65 -0.45 -0.08 0.29 1.48 0.16 -2.96 118.94 114.74 1ujx s TRP 18 Ca 0.59 0.24 -0.09 0.00 -1.06 0.00 0.00 56.10 55.78 1ujx s TRP 18 Cb -0.10 0.56 -0.05 0.00 -1.16 0.00 0.00 33.47 32.73 1ujx s TRP 18 CO 0.33 -0.77 0.22 -0.51 -4.06 0.00 0.00 176.95 172.16 1ujx s LEU 19 N -2.68 4.41 -0.55 -4.66 2.01 -0.83 0.17 118.68 116.55 1ujx s LEU 19 Ca 0.03 0.61 -0.07 0.00 0.01 0.00 0.00 54.13 54.71 1ujx s LEU 19 Cb -0.01 -2.26 0.14 0.00 0.01 0.00 0.00 46.19 44.07 1ujx s LEU 19 CO -0.10 0.37 0.40 -1.58 1.01 0.00 0.00 176.35 176.45 1ujx s GLN 20 N -1.11 2.57 0.48 1.70 0.74 0.18 -3.35 119.66 120.87 1ujx s GLN 20 Ca 0.18 -2.06 -0.23 0.00 0.05 0.00 0.00 55.36 53.31 1ujx s GLN 20 Cb -0.13 -3.89 -0.07 0.00 1.10 0.00 0.00 33.01 30.02 1ujx s GLN 20 CO 0.08 -1.19 1.22 -1.54 -0.55 0.00 0.00 175.29 173.31 1ujx s SER 21 N 1.99 5.94 0.74 6.67 1.04 -1.26 -2.50 113.70 126.31 1ujx s SER 21 Ca 0.10 2.43 -0.11 0.00 0.48 0.00 0.00 55.95 58.85 1ujx s SER 21 Cb -0.22 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.32 1ujx s SER 21 CO -0.03 -1.08 1.08 -2.16 0.98 0.00 0.00 173.24 172.02 1ujx s PRO 22 N -2.75 2.54 1.00 4.02 0.04 -1.26 -4.91 135.00 133.68 1ujx s PRO 22 Ca 0.65 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1ujx s PRO 22 Cb -0.32 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.13 1ujx s PRO 22 CO 0.38 -1.34 -0.88 -2.37 0.04 0.00 0.00 177.00 172.83 1ujx n THR 23 N -3.27 0.00 -3.45 1.26 5.66 -1.26 -2.35 114.28 110.86 1ujx n THR 23 Ca 0.07 -0.35 -0.25 0.00 -3.05 0.00 0.00 64.05 60.48 1ujx n THR 23 Cb 0.55 -0.07 0.01 0.00 -1.55 0.00 0.00 70.33 69.27 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 3.30 -0.50 1.19 1.09 0.00 -1.26 -4.93 105.19 104.09 1ujx n GLY 24 Ca -0.01 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.37 3.64 3.78 -0.02 0.00 -0.99 -5.12 105.19 105.11 1ujx n GLY 25 Ca -0.02 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.51 0.49 0.99 1.61 0.04 -1.26 -5.01 135.00 129.35 1ujx s PRO 26 Ca 0.14 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.07 1ujx s PRO 26 Cb 0.01 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.95 1ujx s PRO 26 CO 0.10 -2.59 1.18 -1.25 0.04 0.00 0.00 177.00 174.47 1ujx s PRO 27 N -5.46 0.44 -0.25 0.56 0.04 -1.26 -4.54 135.00 124.53 1ujx s PRO 27 Ca 0.68 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1ujx s PRO 27 Cb -0.11 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1ujx s PRO 27 CO 0.54 -2.62 1.32 -1.25 0.04 0.00 0.00 177.00 175.03 1ujx s PRO 28 N -5.47 4.01 0.08 0.56 0.04 -1.26 -4.68 135.00 128.29 1ujx s PRO 28 Ca 0.68 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 1ujx s PRO 28 Cb -0.11 -3.86 -0.07 0.00 0.04 0.00 0.00 34.50 30.51 1ujx s PRO 28 CO 0.54 -1.00 0.58 0.42 0.04 0.00 0.00 177.00 177.58 1ujx s ILE 29 N 4.15 4.73 -0.21 0.56 1.09 -1.21 -4.91 121.20 125.40 1ujx s ILE 29 Ca 0.57 1.21 -0.06 0.00 -1.10 0.00 0.00 60.65 61.27 1ujx s ILE 29 Cb -0.19 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1ujx s ILE 29 CO 0.21 0.53 0.03 -0.36 -0.10 0.00 0.00 174.94 175.25 1ujx s PHE 30 N -1.14 3.07 0.74 3.97 0.40 -1.26 -1.97 117.98 121.78 1ujx s PHE 30 Ca 0.30 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 1ujx s PHE 30 Cb -0.19 -2.13 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1ujx s PHE 30 CO 0.19 -0.24 1.09 -0.51 0.70 0.00 0.00 175.22 176.45 1ujx s LEU 31 N 1.13 2.82 0.45 -0.37 1.43 -1.15 -5.03 118.68 117.96 1ujx s LEU 31 Ca 0.03 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.17 1ujx s LEU 31 Cb -0.14 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 41.99 1ujx s LEU 31 CO 0.02 -1.56 1.05 -2.16 0.23 0.00 0.00 176.35 173.92 1ujx s PRO 32 N -5.25 3.96 -0.13 1.29 0.04 -1.26 -4.78 135.00 128.87 1ujx s PRO 32 Ca 0.59 1.43 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1ujx s PRO 32 Cb -0.13 -2.29 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 1ujx s PRO 32 CO 0.53 -0.31 0.33 -1.13 0.04 0.00 0.00 177.00 176.46 1ujx n SER 33 N -0.58 1.35 -0.46 6.66 3.41 -1.26 -3.88 113.62 118.87 1ujx n SER 33 Ca 0.07 0.19 0.39 0.00 -0.26 0.00 0.00 58.87 59.26 1ujx n SER 33 Cb 0.51 -0.23 0.70 0.00 -0.26 0.00 0.00 64.21 64.93 1ujx n SER 33 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1ujx h ASP 34 N 0.03 0.14 0.00 4.04 3.58 -1.93 -3.43 116.42 118.84 1ujx h ASP 34 Ca -0.42 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1ujx h ASP 34 Cb 2.04 0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1ujx h ASP 34 CO 0.05 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ujx n GLY 35 N -1.69 0.39 3.22 -0.78 0.00 -1.26 -5.13 105.19 99.94 1ujx n GLY 35 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.16 -4.44 1.61 6.02 -1.26 -4.85 117.38 112.30 1ujx n GLN 36 Ca 0.00 -0.62 -0.30 0.00 -0.01 0.00 0.00 57.00 56.07 1ujx n GLN 36 Cb 0.00 -1.70 -0.17 0.00 1.02 0.00 0.00 30.24 29.40 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 -2.19 1.84 -0.47 -1.58 0.00 -1.26 -4.33 121.76 113.76 1ujx s ALA 37 Ca 0.53 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 1ujx s ALA 37 Cb -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.16 1ujx s ALA 37 CO 0.58 -0.11 0.47 -1.17 0.00 0.00 0.00 175.76 175.53 1ujx s LEU 38 N 1.02 5.24 0.15 0.00 2.96 0.19 -4.90 118.68 123.35 1ujx s LEU 38 Ca -0.05 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 52.51 1ujx s LEU 38 Cb -0.15 -2.30 -0.08 0.00 0.50 0.00 0.00 46.19 44.16 1ujx s LEU 38 CO -0.03 -0.70 1.27 -0.69 -1.32 0.00 0.00 176.35 174.88 1ujx s VAL 39 N 2.06 3.50 0.19 1.68 1.01 -1.26 -1.99 120.40 125.58 1ujx s VAL 39 Ca 0.09 1.17 0.11 0.00 0.00 0.00 0.00 61.98 63.35 1ujx s VAL 39 Cb -0.21 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ujx s VAL 39 CO 0.10 0.14 -0.24 -0.76 0.00 0.00 0.00 175.10 174.34 1ujx s LEU 40 N 0.37 2.44 0.00 3.92 1.43 -1.05 -4.96 118.68 120.83 1ujx s LEU 40 Ca 0.58 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1ujx s LEU 40 Cb -0.34 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1ujx s LEU 40 CO 0.34 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1ujx n GLY 41 N 0.25 -0.55 3.77 -3.19 0.00 -1.24 -1.30 105.19 102.93 1ujx n GLY 41 Ca -0.12 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.78 4.18 0.00 1.61 0.52 -1.24 -4.19 118.95 118.05 1ujx s ARG 42 Ca 0.00 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 1ujx s ARG 42 Cb 0.00 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1ujx s ARG 42 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1ujx n GLY 43 N 0.70 0.70 0.00 -3.53 0.00 0.08 -4.52 105.19 98.63 1ujx n GLY 43 Ca 0.01 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.14 0.62 0.39 1.61 -0.04 -1.26 -1.43 135.00 134.75 1ujx n PRO 44 Ca 0.00 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.32 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 -0.96 -3.00 1.53 -0.00 -1.86 -3.33 115.31 107.69 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 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1ujx h LEU 45 CO 0.00 -0.64 0.00 0.35 -0.00 0.00 0.00 178.44 178.15 1ujx n THR 46 N -4.92 1.25 -1.07 0.22 -2.24 -1.24 -4.79 114.28 101.49 1ujx n THR 46 Ca -0.13 -1.33 -0.02 0.00 -2.27 0.00 0.00 64.05 60.30 1ujx n THR 46 Cb 0.42 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.66 -1.39 -2.35 -0.78 1.13 -0.51 -4.67 117.38 108.14 1ujx n GLN 47 Ca 0.05 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1ujx n GLN 47 Cb 0.37 -4.56 -0.03 0.00 0.11 0.00 0.00 30.24 26.14 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 -1.47 3.96 -0.25 5.09 1.01 -1.13 -4.86 120.40 122.76 1ujx s VAL 48 Ca 0.00 1.35 0.18 0.00 0.00 0.00 0.00 61.98 63.51 1ujx s VAL 48 Cb 0.00 -3.87 0.48 0.00 0.00 0.00 0.00 36.38 33.00 1ujx s VAL 48 CO 0.00 0.03 1.14 1.07 0.00 0.00 0.00 175.10 177.34 1ujx n THR 49 N 4.43 1.62 -3.98 3.92 5.66 -1.26 -0.74 114.28 123.93 1ujx n THR 49 Ca 0.11 -3.21 -0.35 0.00 -3.05 0.00 0.00 64.05 57.55 1ujx n THR 49 Cb 0.45 0.44 -0.09 0.00 -1.55 0.00 0.00 70.33 69.58 1ujx n THR 49 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ujx s ASP 50 N -3.59 5.72 0.27 1.09 -1.08 -1.26 -4.99 116.67 112.83 1ujx s ASP 50 Ca 0.36 0.12 -0.01 0.00 -0.52 0.00 0.00 52.55 52.50 1ujx s ASP 50 Cb 0.36 -1.96 0.49 0.00 -1.46 0.00 0.00 42.92 40.34 1ujx s ASP 50 CO -0.02 0.20 1.84 0.03 0.52 0.00 0.00 175.17 177.73 1ujx h ARG 51 N 6.51 0.95 -0.82 4.34 3.08 -2.05 0.22 114.38 126.62 1ujx h ARG 51 Ca -0.39 -0.06 0.23 0.00 0.07 0.00 0.00 59.98 59.83 1ujx h ARG 51 Cb 1.17 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 1ujx h ARG 51 CO 0.70 0.63 0.58 0.87 -1.07 0.00 0.00 179.97 181.67 1ujx h LYS 52 N 0.98 0.07 -7.63 0.04 1.79 -2.03 -3.40 116.57 106.38 1ujx h LYS 52 Ca 0.46 -0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.47 1ujx h LYS 52 Cb 0.40 -0.02 0.14 0.00 -1.58 0.00 0.00 32.23 31.17 1ujx h LYS 52 CO -0.24 0.05 0.35 0.00 -1.08 0.00 0.00 179.45 178.53 1ujx s SER 54 N -4.46 -0.48 0.46 0.00 0.15 -1.26 -4.85 113.70 103.26 1ujx s SER 54 Ca 0.68 0.89 0.39 0.00 0.70 0.00 0.00 55.95 58.61 1ujx s SER 54 Cb -0.09 0.85 1.47 0.00 -1.71 0.00 0.00 66.02 66.54 1ujx s SER 54 CO 0.52 -0.17 1.39 0.54 1.20 0.00 0.00 173.24 176.73 1ujx n ARG 55 N 3.34 -0.01 -2.97 5.44 1.74 -1.26 0.11 116.66 123.05 1ujx n ARG 55 Ca -0.17 1.02 -0.26 0.00 -0.77 0.00 0.00 57.85 57.68 1ujx n ARG 55 Cb 0.56 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.99 3.94 -0.01 0.55 2.04 -1.26 -3.72 115.26 112.81 1ujx n ASN 56 Ca 0.38 -3.59 -0.07 0.00 -0.44 0.00 0.00 54.58 50.87 1ujx n ASN 56 Cb 1.66 -0.57 0.11 0.00 -2.53 0.00 0.00 39.78 38.45 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 1ujx h GLN 57 N 2.98 0.57 -3.70 -3.83 5.75 0.21 -0.98 115.11 116.11 1ujx h GLN 57 Ca 0.13 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1ujx h GLN 57 Cb 0.58 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.03 1ujx h GLN 57 CO 0.77 0.86 -0.15 0.14 -2.65 0.00 0.00 178.83 177.80 1ujx s VAL 58 N -4.28 0.01 -0.33 2.39 -7.23 -1.17 -3.06 120.40 106.72 1ujx s VAL 58 Ca -0.07 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1ujx s VAL 58 Cb 0.12 -2.14 0.10 0.00 0.56 0.00 0.00 36.38 35.02 1ujx s VAL 58 CO 0.82 -0.04 0.06 -0.70 -0.31 0.00 0.00 175.10 174.94 1ujx s GLU 59 N -4.01 1.25 0.08 4.82 2.12 0.48 -2.51 118.70 120.94 1ujx s GLU 59 Ca 0.22 -1.63 -0.26 0.00 0.36 0.00 0.00 54.97 53.66 1ujx s GLU 59 Cb 0.00 -2.83 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 1ujx s GLU 59 CO 0.08 -0.95 0.80 -0.51 -0.54 0.00 0.00 175.26 174.14 1ujx s LEU 60 N 1.12 4.49 -0.07 2.70 1.02 -0.84 -1.95 118.68 125.16 1ujx s LEU 60 Ca 0.10 1.56 -0.02 0.00 0.02 0.00 0.00 54.13 55.79 1ujx s LEU 60 Cb -0.18 -3.31 0.03 0.00 0.02 0.00 0.00 46.19 42.75 1ujx s LEU 60 CO -0.13 0.05 0.02 -0.63 0.02 0.00 0.00 176.35 175.67 1ujx s ILE 61 N -0.30 0.26 -0.27 -0.59 1.01 -0.54 0.55 121.20 121.31 1ujx s ILE 61 Ca 0.39 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 1ujx s ILE 61 Cb -0.22 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1ujx s ILE 61 CO 0.25 0.22 1.39 0.00 0.00 0.00 0.00 174.94 176.80 1ujx s ALA 62 N 2.02 3.34 -0.65 9.38 0.00 -1.25 -1.80 121.76 132.80 1ujx s ALA 62 Ca 0.05 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1ujx s ALA 62 Cb -0.12 -3.79 0.16 0.00 0.00 0.00 0.00 23.12 19.37 1ujx s ALA 62 CO -0.05 -1.81 0.45 -0.51 0.00 0.00 0.00 175.76 173.84 1ujx s ASP 63 N 3.18 4.93 0.00 0.00 1.11 -0.79 -4.65 116.67 120.45 1ujx s ASP 63 Ca 0.60 -3.31 0.22 0.00 0.18 0.00 0.00 52.55 50.25 1ujx s ASP 63 Cb -0.19 -1.73 1.31 0.00 1.07 0.00 0.00 42.92 43.38 1ujx s ASP 63 CO 0.25 -0.22 1.71 -0.81 1.18 0.00 0.00 175.17 177.28 1ujx n PRO 64 N 2.78 0.75 -0.52 8.23 -0.04 -1.26 -2.11 135.00 142.84 1ujx n PRO 64 Ca 0.12 0.00 0.44 0.00 -0.04 0.00 0.00 63.50 64.02 1ujx n PRO 64 Cb 0.35 -1.46 0.72 0.00 -0.04 0.00 0.00 33.50 33.07 1ujx n PRO 64 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ujx h GLU 65 N 0.00 0.00 0.00 0.54 4.11 -1.91 -3.37 114.58 113.96 1ujx h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ujx h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ujx h GLU 65 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.51 1ujx n SER 66 N -3.79 0.00 0.00 3.06 7.64 -1.25 -5.07 113.62 114.21 1ujx n SER 66 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1ujx n SER 66 Cb 1.77 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 65.28 1ujx n SER 66 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ujx n ARG 67 N -2.14 0.00 -3.94 1.43 -4.01 -1.23 -5.17 116.66 101.60 1ujx n ARG 67 Ca 0.00 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 56.70 1ujx n ARG 67 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1ujx s THR 68 N 0.00 0.00 -0.20 8.89 -4.23 -0.90 -4.42 115.64 114.79 1ujx s THR 68 Ca 0.00 -1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 1ujx s THR 68 Cb 0.00 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.19 1ujx s THR 68 CO 0.00 0.00 0.53 -0.69 -0.54 0.00 0.00 174.62 173.92 1ujx s VAL 69 N -2.79 -0.00 0.15 2.29 1.01 -0.48 -1.89 120.40 118.69 1ujx s VAL 69 Ca 0.22 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1ujx s VAL 69 Cb -0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1ujx s VAL 69 CO 0.15 0.00 0.52 0.00 0.00 0.00 0.00 175.10 175.78 1ujx s ALA 70 N 0.42 3.60 -0.25 5.51 0.00 -0.75 0.18 121.76 130.48 1ujx s ALA 70 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1ujx s ALA 70 Cb -0.04 -2.46 0.08 0.00 0.00 0.00 0.00 23.12 20.70 1ujx s ALA 70 CO -0.01 0.48 0.10 0.08 0.00 0.00 0.00 175.76 176.41 1ujx s VAL 71 N -1.53 0.24 -0.22 0.00 1.01 -0.36 -1.47 120.40 118.07 1ujx s VAL 71 Ca 0.39 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1ujx s VAL 71 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1ujx s VAL 71 CO 0.19 -0.54 0.03 -0.75 0.00 0.00 0.00 175.10 174.04 1ujx s LYS 72 N 1.96 3.65 -0.51 2.72 2.20 -0.82 -1.26 119.74 127.68 1ujx s LYS 72 Ca 0.06 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 1ujx s LYS 72 Cb -0.16 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1ujx s LYS 72 CO -0.24 -0.04 1.21 -1.14 -0.36 0.00 0.00 175.35 174.78 1ujx s GLN 73 N 1.17 3.60 0.00 4.03 0.74 -0.85 0.18 119.66 128.53 1ujx s GLN 73 Ca 0.03 0.48 0.23 0.00 0.05 0.00 0.00 55.36 56.16 1ujx s GLN 73 Cb -0.14 -3.97 0.06 0.00 1.10 0.00 0.00 33.01 30.05 1ujx s GLN 73 CO 0.02 -1.55 1.15 1.28 -0.55 0.00 0.00 175.29 175.64 1ujx n LEU 74 N 8.28 2.35 0.00 3.68 4.77 -1.17 -1.04 117.00 133.87 1ujx n LEU 74 Ca 0.11 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1ujx n LEU 74 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ujx n LEU 74 CO 0.72 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1ujx n GLY 75 N 1.40 1.29 1.31 -0.72 0.00 -0.37 -4.86 105.19 103.23 1ujx n GLY 75 Ca 0.11 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.24 -1.73 1.61 3.14 -1.26 -4.70 118.33 115.62 1ujx n VAL 76 Ca 0.00 0.08 -0.41 0.00 -2.96 0.00 0.00 64.34 61.05 1ujx n VAL 76 Cb 0.00 -1.22 0.01 0.00 -1.06 0.00 0.00 33.84 31.57 1ujx n VAL 76 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ujx n ASN 77 N -3.03 2.99 -4.69 6.55 3.02 -1.26 -4.31 115.26 114.53 1ujx n ASN 77 Ca 0.00 1.13 -0.42 0.00 -0.03 0.00 0.00 54.58 55.25 1ujx n ASN 77 Cb 0.26 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 37.85 1ujx n ASN 77 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ujx s PRO 78 N -2.29 4.37 0.24 3.52 0.04 -1.26 -4.77 135.00 134.85 1ujx s PRO 78 Ca 0.60 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1ujx s PRO 78 Cb -0.48 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.50 1ujx s PRO 78 CO 0.58 -0.41 0.39 0.45 0.04 0.00 0.00 177.00 178.05 1ujx s SER 79 N 1.42 6.33 -0.31 6.66 0.15 -1.26 -4.57 113.70 122.13 1ujx s SER 79 Ca 0.57 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1ujx s SER 79 Cb -0.26 -1.94 0.07 0.00 -1.71 0.00 0.00 66.02 62.18 1ujx s SER 79 CO 0.24 -0.09 0.00 -0.89 1.20 0.00 0.00 173.24 173.70 1ujx s THR 80 N -1.98 2.71 -1.25 6.45 2.01 -1.24 0.19 115.64 122.53 1ujx s THR 80 Ca 0.36 -1.66 -0.11 0.00 0.31 0.00 0.00 61.69 60.59 1ujx s THR 80 Cb -0.10 -2.66 0.17 0.00 0.01 0.00 0.00 72.50 69.92 1ujx s THR 80 CO 0.30 -0.22 1.70 0.52 -0.69 0.00 0.00 174.62 176.23 1ujx n VAL 81 N 4.52 4.32 0.00 3.82 0.31 -0.73 -1.49 118.33 129.08 1ujx n VAL 81 Ca -0.10 -4.54 0.00 0.00 -0.01 0.00 0.00 64.34 59.69 1ujx n VAL 81 Cb 0.43 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 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 3.31 1.10 0.23 2.92 0.00 0.52 -4.20 105.19 109.07 1ujx n GLY 82 Ca 0.39 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.91 1.61 3.14 -1.26 -4.69 118.33 112.97 1ujx n VAL 83 Ca 0.00 -0.88 -0.26 0.00 -2.96 0.00 0.00 64.34 60.24 1ujx n VAL 83 Cb 0.00 0.32 -0.15 0.00 -1.06 0.00 0.00 33.84 32.94 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 -1.09 1.57 0.05 1.45 0.74 -1.26 -5.13 119.66 116.00 1ujx s GLN 84 Ca 0.11 -0.75 -0.23 0.00 0.05 0.00 0.00 55.36 54.54 1ujx s GLN 84 Cb 0.09 -1.54 -0.06 0.00 1.10 0.00 0.00 33.01 32.60 1ujx s GLN 84 CO 0.01 0.42 0.69 -2.00 -0.55 0.00 0.00 175.29 173.86 1ujx s GLU 85 N -0.59 4.42 0.16 1.67 2.12 -1.26 -1.77 118.70 123.45 1ujx s GLU 85 Ca 0.08 0.94 0.03 0.00 0.36 0.00 0.00 54.97 56.38 1ujx s GLU 85 Cb -0.08 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 31.01 1ujx s GLU 85 CO -0.00 0.40 0.22 1.28 -0.54 0.00 0.00 175.26 176.62 1ujx n LEU 86 N 2.46 0.00 -4.18 2.70 4.77 0.52 -4.95 117.00 118.32 1ujx n LEU 86 Ca -0.05 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 1ujx n LEU 86 Cb 0.50 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1ujx n LEU 86 CO 0.45 -0.56 -0.21 -0.54 -1.33 0.00 0.00 177.39 175.20 1ujx s LYS 87 N -2.73 1.21 -0.73 3.23 1.02 -1.26 -4.27 119.74 116.20 1ujx s LYS 87 Ca 0.17 -1.58 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 1ujx s LYS 87 Cb -0.01 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1ujx s LYS 87 CO 0.11 -0.40 1.58 -1.25 -0.92 0.00 0.00 175.35 174.47 1ujx s PRO 88 N -4.14 2.95 0.00 -1.68 0.04 -1.26 -1.99 135.00 128.92 1ujx s PRO 88 Ca 0.36 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1ujx s PRO 88 Cb 0.06 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1ujx s PRO 88 CO 0.11 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1ujx n GLY 89 N 5.77 0.98 3.97 0.56 0.00 -0.21 -5.04 105.19 111.22 1ujx n GLY 89 Ca 0.16 0.00 -0.26 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 2.86 -0.24 0.99 2.96 -0.84 -4.86 118.68 119.55 1ujx s LEU 90 Ca 0.00 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.57 1ujx s LEU 90 Cb 0.00 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.75 1ujx s LEU 90 CO 0.00 -2.28 0.62 -0.44 -1.32 0.00 0.00 176.35 172.93 1ujx s SER 91 N -4.83 -0.74 0.00 3.68 0.01 -1.26 -2.01 113.70 108.54 1ujx s SER 91 Ca 0.70 1.31 0.00 0.00 1.31 0.00 0.00 55.95 59.27 1ujx s SER 91 Cb -0.04 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.44 1ujx s SER 91 CO 0.48 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1ujx n GLY 92 N 3.53 4.46 3.21 3.44 0.00 -0.39 -4.95 105.19 114.49 1ujx n GLY 92 Ca -0.17 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.57 2.20 -0.19 1.61 0.01 -1.26 -1.23 113.70 114.27 1ujx s SER 93 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ujx s SER 93 Cb 0.00 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1ujx s SER 93 CO 0.00 0.15 -0.17 -0.76 0.41 0.00 0.00 173.24 172.87 1ujx s LEU 94 N -0.99 2.30 0.59 2.44 1.02 0.49 -4.92 118.68 119.61 1ujx s LEU 94 Ca 0.06 -0.61 -0.06 0.00 0.02 0.00 0.00 54.13 53.54 1ujx s LEU 94 Cb -0.08 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.61 1ujx s LEU 94 CO 0.01 -0.01 0.89 -0.44 0.02 0.00 0.00 176.35 176.83 1ujx s SER 95 N 1.32 5.60 -0.34 2.29 0.01 -1.26 -1.38 113.70 119.94 1ujx s SER 95 Ca 0.05 0.70 -0.28 0.00 1.31 0.00 0.00 55.95 57.73 1ujx s SER 95 Cb -0.13 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 1ujx s SER 95 CO -0.11 -1.05 1.97 -0.76 0.41 0.00 0.00 173.24 173.70 1ujx s LEU 96 N -4.98 3.45 0.00 2.44 1.43 -1.26 -1.26 118.68 118.50 1ujx s LEU 96 Ca 0.54 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1ujx s LEU 96 Cb -0.11 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1ujx s LEU 96 CO 0.45 -1.96 0.00 0.61 0.23 0.00 0.00 176.35 175.68 1ujx n GLY 97 N 5.60 0.51 3.25 -3.19 0.00 -0.45 -5.00 105.19 105.91 1ujx n GLY 97 Ca 0.26 0.00 -0.30 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 -2.52 -4.36 1.61 9.92 -0.39 -4.55 116.55 116.26 1ujx n ASP 98 Ca 0.00 -0.23 -0.27 0.00 -0.53 0.00 0.00 54.79 53.76 1ujx n ASP 98 Cb 0.00 -0.96 -0.13 0.00 -0.64 0.00 0.00 41.12 39.39 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 -2.22 2.08 -0.49 2.53 1.01 -1.26 -2.92 120.40 119.14 1ujx s VAL 99 Ca 0.55 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1ujx s VAL 99 Cb -0.12 -1.86 0.15 0.00 0.00 0.00 0.00 36.38 34.55 1ujx s VAL 99 CO 0.61 0.05 0.30 -0.22 0.00 0.00 0.00 175.10 175.84 1ujx s LEU 100 N -2.00 3.01 -0.64 3.92 2.96 -1.23 0.19 118.68 124.89 1ujx s LEU 100 Ca 0.12 -2.94 -0.26 0.00 -0.22 0.00 0.00 54.13 50.83 1ujx s LEU 100 Cb -0.10 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.41 1ujx s LEU 100 CO 0.05 -0.22 2.28 -0.31 -1.32 0.00 0.00 176.35 176.83 1ujx s TYR 101 N -0.06 1.25 0.10 5.38 2.02 -0.55 -3.86 117.35 121.63 1ujx s TYR 101 Ca 0.21 1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 58.21 1ujx s TYR 101 Cb -0.17 -3.66 -0.02 0.00 -0.40 0.00 0.00 41.96 37.71 1ujx s TYR 101 CO -0.06 -2.13 0.94 1.28 -1.57 0.00 0.00 175.55 174.01 1ujx n LEU 102 N 16.07 -0.62 -3.80 -1.29 4.77 -0.95 -3.58 117.00 127.60 1ujx n LEU 102 Ca 0.37 1.09 -0.05 0.00 -0.03 0.00 0.00 56.01 57.39 1ujx n LEU 102 Cb 0.50 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1ujx n LEU 102 CO 0.65 -0.89 0.65 0.54 -1.33 0.00 0.00 177.39 177.01 1ujx s VAL 103 N -5.33 0.00 -1.76 4.08 0.11 -1.24 -4.71 120.40 111.55 1ujx s VAL 103 Ca -0.07 -0.77 -0.17 0.00 -2.93 0.00 0.00 61.98 58.04 1ujx s VAL 103 Cb 0.07 -2.17 0.16 0.00 -1.53 0.00 0.00 36.38 32.91 1ujx s VAL 103 CO 0.38 0.00 0.49 -3.20 -3.33 0.00 0.00 175.10 169.44 1ujx n ASN 104 N -0.63 -1.37 -1.96 3.54 2.85 -1.26 0.16 115.26 116.58 1ujx n ASN 104 Ca -0.05 -1.21 -0.00 0.00 -0.11 0.00 0.00 54.58 53.21 1ujx n ASN 104 Cb 0.60 -1.86 -0.00 0.00 1.24 0.00 0.00 39.78 39.76 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 -1.51 -0.31 0.07 8.20 0.00 -1.26 -4.82 105.19 105.56 1ujx n GLY 105 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.97 0.00 -4.06 0.99 4.77 0.41 -4.84 117.00 112.31 1ujx n LEU 106 Ca -0.00 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.51 1ujx n LEU 106 Cb 0.32 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1ujx n LEU 106 CO 0.00 -0.01 -0.18 -1.22 -1.33 0.00 0.00 177.39 174.65 1ujx n TYR 107 N -0.03 -1.18 -1.39 -1.77 4.01 -1.26 -2.74 117.16 112.80 1ujx n TYR 107 Ca -0.00 0.09 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 1ujx n TYR 107 Cb 0.01 -2.40 0.20 0.00 -0.31 0.00 0.00 39.34 36.83 1ujx n TYR 107 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujx n PRO 108 N -4.54 -1.97 -3.98 -0.72 -0.04 -1.26 -2.23 135.00 120.27 1ujx n PRO 108 Ca -0.12 -1.63 -0.10 0.00 -0.04 0.00 0.00 63.50 61.61 1ujx n PRO 108 Cb 0.50 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 1ujx n PRO 108 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ujx s LEU 109 N 0.00 0.36 -0.27 1.53 1.02 -1.25 -4.69 118.68 115.38 1ujx s LEU 109 Ca 0.63 -1.05 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 1ujx s LEU 109 Cb -0.04 1.97 0.09 0.00 0.02 0.00 0.00 46.19 48.23 1ujx s LEU 109 CO 0.46 -1.28 0.08 -0.89 0.02 0.00 0.00 176.35 174.74 1ujx s THR 110 N -3.54 0.70 0.22 5.49 2.01 -1.04 -3.57 115.64 115.90 1ujx s THR 110 Ca 0.22 -1.07 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 1ujx s THR 110 Cb -0.02 -1.41 -0.12 0.00 0.01 0.00 0.00 72.50 70.96 1ujx s THR 110 CO 0.12 -0.52 1.70 -0.22 -0.69 0.00 0.00 174.62 175.01 1ujx s LEU 111 N 1.73 4.37 0.24 4.42 2.96 -1.15 0.50 118.68 131.76 1ujx s LEU 111 Ca 0.06 2.88 0.02 0.00 -0.22 0.00 0.00 54.13 56.87 1ujx s LEU 111 Cb -0.17 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1ujx s LEU 111 CO -0.21 -0.96 0.06 -0.13 -1.32 0.00 0.00 176.35 173.79 1ujx s ARG 112 N 0.90 1.37 0.07 1.98 1.81 0.44 -1.34 118.95 124.19 1ujx s ARG 112 Ca 0.73 -1.72 0.05 0.00 -1.72 0.00 0.00 55.73 53.07 1ujx s ARG 112 Cb -0.49 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.58 1ujx s ARG 112 CO 0.35 -0.21 -0.14 -0.46 -0.68 0.00 0.00 175.30 174.15 1ujx s TRP 113 N -3.62 1.22 -0.21 -0.53 -0.11 -1.26 0.36 118.94 114.79 1ujx s TRP 113 Ca 0.33 -0.47 -0.08 0.00 1.22 0.00 0.00 56.10 57.10 1ujx s TRP 113 Cb 0.07 -0.68 -0.04 0.00 -1.50 0.00 0.00 33.47 31.32 1ujx s TRP 113 CO 0.11 0.06 0.09 0.45 -4.62 0.00 0.00 176.95 173.04 1ujx s SER 114 N -1.80 5.73 0.00 5.86 0.15 0.13 -4.94 113.70 118.83 1ujx s SER 114 Ca -0.01 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ujx s SER 114 Cb -0.10 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1ujx s SER 114 CO 0.02 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1ujx n GLY 115 N 3.92 3.77 3.56 9.45 0.00 -1.26 -2.89 105.19 121.74 1ujx n GLY 115 Ca -0.16 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1ujx n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 116 N 2.73 3.03 -0.30 1.61 0.04 -1.26 -4.83 135.00 136.02 1ujx s PRO 116 Ca 0.00 -0.47 -0.17 0.00 0.04 0.00 0.00 61.00 60.40 1ujx s PRO 116 Cb 0.00 -4.96 0.21 0.00 0.04 0.00 0.00 34.50 29.79 1ujx s PRO 116 CO 0.00 -2.69 1.28 -1.12 0.04 0.00 0.00 177.00 174.51 1ujx s SER 117 N 6.32 -0.07 -0.12 6.66 0.01 -1.26 -5.16 113.70 120.08 1ujx s SER 117 Ca 0.56 0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.88 1ujx s SER 117 Cb -0.05 0.89 0.06 0.00 0.21 0.00 0.00 66.02 67.13 1ujx s SER 117 CO 0.01 -0.02 0.25 -0.94 0.41 0.00 0.00 173.24 172.95 1ujx s SER 118 N 0.89 0.28 0.00 2.44 1.04 -1.26 -5.13 113.70 111.96 1ujx s SER 118 Ca -0.06 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1ujx s SER 118 Cb -0.03 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1ujx s SER 118 CO -0.11 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.50