#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 -0.57 -0.14 1.61 0.15 -1.26 -5.18 113.70 108.32 1ujx s SER 2 Ca 0.00 1.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.45 1ujx s SER 2 Cb 0.00 1.12 0.13 0.00 -1.71 0.00 0.00 66.02 65.56 1ujx s SER 2 CO 0.00 -0.19 1.01 -0.44 1.20 0.00 0.00 173.24 174.82 1ujx s SER 3 N 0.29 -0.34 0.00 5.45 0.01 -1.26 -5.13 113.70 112.72 1ujx s SER 3 Ca 0.02 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ujx s SER 3 Cb -0.05 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1ujx s SER 3 CO -0.03 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1ujx n GLY 4 N 0.46 -1.00 3.30 3.44 0.00 -1.26 -5.15 105.19 104.98 1ujx n GLY 4 Ca -0.09 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 5 N -4.00 2.50 -0.29 1.61 1.04 -1.26 -5.12 113.70 108.18 1ujx s SER 5 Ca 0.00 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1ujx s SER 5 Cb 0.00 -0.13 0.19 0.00 0.10 0.00 0.00 66.02 66.18 1ujx s SER 5 CO 0.00 -0.02 0.72 -0.55 0.98 0.00 0.00 173.24 174.36 1ujx s SER 6 N -2.37 -1.25 0.00 7.02 0.15 -1.26 -5.15 113.70 110.84 1ujx s SER 6 Ca 0.11 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1ujx s SER 6 Cb -0.07 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1ujx s SER 6 CO 0.05 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1ujx n GLY 7 N 5.37 1.29 1.90 9.45 0.00 -1.26 -5.09 105.19 116.85 1ujx n GLY 7 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.37 1.61 2.00 -1.26 -5.12 117.12 109.98 1ujx n MET 8 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 1ujx n MET 8 Cb 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 33.22 33.06 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 -5.07 3.69 -0.35 7.83 0.15 -1.26 -5.11 113.70 113.58 1ujx s SER 9 Ca 0.00 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 55.91 1ujx s SER 9 Cb 0.00 -0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.01 1ujx s SER 9 CO 0.00 0.13 0.10 -1.58 1.20 0.00 0.00 173.24 173.09 1ujx s GLN 10 N -2.62 1.16 0.31 5.44 0.74 -1.26 -4.87 119.66 118.57 1ujx s GLN 10 Ca 0.21 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 54.03 1ujx s GLN 10 Cb -0.09 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1ujx s GLN 10 CO 0.11 -0.99 0.00 1.28 -0.55 0.00 0.00 175.29 175.14 1ujx n LEU 11 N 4.37 -1.74 -3.25 3.68 4.77 -1.26 -5.11 117.00 118.46 1ujx n LEU 11 Ca 0.02 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1ujx n LEU 11 Cb 0.41 1.76 0.01 0.00 -2.33 0.00 0.00 43.42 43.27 1ujx n LEU 11 CO 0.18 -0.32 -0.42 0.61 -1.33 0.00 0.00 177.39 176.12 1ujx n GLY 12 N 0.12 -0.25 3.29 -0.72 0.00 -1.26 -4.87 105.19 101.49 1ujx n GLY 12 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1ujx n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujx n SER 13 N 0.79 -2.38 -0.63 1.61 7.64 -1.26 -4.93 113.62 114.46 1ujx n SER 13 Ca -0.02 -0.19 0.06 0.00 1.01 0.00 0.00 58.87 59.72 1ujx n SER 13 Cb 0.52 -0.99 0.14 0.00 -1.01 0.00 0.00 64.21 62.87 1ujx n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ujx n ARG 14 N -2.73 2.50 -2.15 1.43 1.74 -1.26 -5.04 116.66 111.15 1ujx n ARG 14 Ca 0.01 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 1ujx n ARG 14 Cb 0.60 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.56 0.40 2.89 -0.13 0.00 -1.26 -4.69 105.19 102.96 1ujx n GLY 15 Ca 0.11 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 0.06 0.36 1.61 3.52 -1.04 -4.90 118.95 116.56 1ujx s ARG 16 Ca 0.03 -0.11 -0.13 0.00 -0.13 0.00 0.00 55.73 55.39 1ujx s ARG 16 Cb -0.00 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.31 1ujx s ARG 16 CO -0.00 -0.00 0.76 -0.51 -0.81 0.00 0.00 175.30 174.73 1ujx s LEU 17 N -0.24 3.96 0.00 -0.88 1.43 -1.26 0.19 118.68 121.88 1ujx s LEU 17 Ca -0.03 1.24 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 1ujx s LEU 17 Cb -0.02 -4.08 0.10 0.00 0.03 0.00 0.00 46.19 42.23 1ujx s LEU 17 CO -0.00 -0.29 0.87 -1.66 0.23 0.00 0.00 176.35 175.50 1ujx s TRP 18 N -2.15 -0.36 -0.19 0.29 1.48 -0.08 -2.92 118.94 115.01 1ujx s TRP 18 Ca 0.53 0.23 -0.06 0.00 -1.06 0.00 0.00 56.10 55.74 1ujx s TRP 18 Cb -0.10 0.54 -0.03 0.00 -1.16 0.00 0.00 33.47 32.72 1ujx s TRP 18 CO 0.23 -0.56 0.02 -0.51 -4.06 0.00 0.00 176.95 172.07 1ujx s LEU 19 N -2.47 3.45 -0.61 -4.66 1.43 -0.27 -0.31 118.68 115.23 1ujx s LEU 19 Ca 0.05 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 1ujx s LEU 19 Cb -0.01 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.45 1ujx s LEU 19 CO -0.09 0.11 0.71 -1.58 0.23 0.00 0.00 176.35 175.72 1ujx s GLN 20 N 0.75 3.09 0.52 1.70 0.74 0.95 -3.02 119.66 124.40 1ujx s GLN 20 Ca 0.01 -1.44 -0.21 0.00 0.05 0.00 0.00 55.36 53.77 1ujx s GLN 20 Cb -0.14 -4.31 -0.06 0.00 1.10 0.00 0.00 33.01 29.61 1ujx s GLN 20 CO 0.02 -1.52 1.18 -1.54 -0.55 0.00 0.00 175.29 172.88 1ujx s SER 21 N 3.56 5.72 0.70 6.67 1.04 -1.26 -3.05 113.70 127.07 1ujx s SER 21 Ca 0.12 2.33 -0.11 0.00 0.48 0.00 0.00 55.95 58.78 1ujx s SER 21 Cb -0.23 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.30 1ujx s SER 21 CO 0.04 -1.23 1.06 -2.16 0.98 0.00 0.00 173.24 171.94 1ujx s PRO 22 N -3.04 2.94 1.00 4.02 0.04 -1.26 -4.92 135.00 133.78 1ujx s PRO 22 Ca 0.70 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 1ujx s PRO 22 Cb -0.29 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.11 1ujx s PRO 22 CO 0.33 -1.10 -0.80 -2.37 0.04 0.00 0.00 177.00 173.11 1ujx n THR 23 N -3.13 0.00 -3.88 1.26 5.66 -1.26 -2.49 114.28 110.44 1ujx n THR 23 Ca 0.08 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.29 1ujx n THR 23 Cb 0.53 -0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.34 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 3.48 -0.47 0.62 1.09 0.00 -1.26 -4.95 105.19 103.71 1ujx n GLY 24 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.69 3.51 3.77 -0.02 0.00 -1.04 -5.11 105.19 104.61 1ujx n GLY 25 Ca -0.01 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.22 0.43 0.99 1.61 0.04 -1.26 -5.01 135.00 129.58 1ujx s PRO 26 Ca 0.07 0.03 -0.15 0.00 0.04 0.00 0.00 61.00 60.99 1ujx s PRO 26 Cb 0.00 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.95 1ujx s PRO 26 CO 0.05 -2.63 1.18 -1.25 0.04 0.00 0.00 177.00 174.39 1ujx s PRO 27 N -5.46 0.46 -0.34 0.56 0.04 -1.26 -4.52 135.00 124.47 1ujx s PRO 27 Ca 0.68 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1ujx s PRO 27 Cb -0.11 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 27 CO 0.54 -2.61 1.37 -1.25 0.04 0.00 0.00 177.00 175.09 1ujx s PRO 28 N -5.47 3.76 0.20 0.56 0.04 -1.26 -4.64 135.00 128.20 1ujx s PRO 28 Ca 0.68 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1ujx s PRO 28 Cb -0.11 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.40 1ujx s PRO 28 CO 0.54 -1.32 0.72 0.42 0.04 0.00 0.00 177.00 177.39 1ujx s ILE 29 N 4.89 4.56 -0.41 0.56 1.09 -1.17 -4.86 121.20 125.86 1ujx s ILE 29 Ca 0.60 1.32 -0.09 0.00 -1.10 0.00 0.00 60.65 61.37 1ujx s ILE 29 Cb -0.16 -3.89 0.07 0.00 -1.06 0.00 0.00 42.46 37.41 1ujx s ILE 29 CO 0.28 0.27 0.24 -0.36 -0.10 0.00 0.00 174.94 175.26 1ujx s PHE 30 N -1.45 3.32 0.97 3.97 0.40 -1.26 -1.11 117.98 122.82 1ujx s PHE 30 Ca 0.41 -1.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.19 1ujx s PHE 30 Cb -0.18 -2.82 0.10 0.00 0.51 0.00 0.00 43.02 40.63 1ujx s PHE 30 CO 0.21 -0.81 0.69 1.28 0.70 0.00 0.00 175.22 177.30 1ujx n LEU 31 N 4.92 0.81 -4.81 -0.37 4.77 -1.15 -4.96 117.00 116.21 1ujx n LEU 31 Ca -0.10 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.84 1ujx n LEU 31 Cb 0.44 -1.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1ujx n LEU 31 CO 0.38 -3.03 0.71 -2.16 -1.33 0.00 0.00 177.39 171.96 1ujx s PRO 32 N -4.04 3.23 -0.17 3.23 0.04 -1.26 -4.78 135.00 131.24 1ujx s PRO 32 Ca 0.61 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1ujx s PRO 32 Cb -0.21 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.14 1ujx s PRO 32 CO 0.64 -0.88 -0.05 -1.13 0.04 0.00 0.00 177.00 175.62 1ujx n SER 33 N -2.41 1.80 -0.41 6.66 3.41 -1.26 -4.08 113.62 117.33 1ujx n SER 33 Ca 0.08 -0.05 0.39 0.00 -0.26 0.00 0.00 58.87 59.04 1ujx n SER 33 Cb 0.53 0.33 0.71 0.00 -0.26 0.00 0.00 64.21 65.52 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 0.00 0.00 0.00 4.04 3.58 -1.94 -3.43 116.42 118.67 1ujx h ASP 34 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1ujx h ASP 34 Cb 1.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.87 1ujx h ASP 34 CO -0.02 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.95 1ujx n GLY 35 N -1.79 1.09 3.22 -0.78 0.00 -1.26 -5.12 105.19 100.54 1ujx n GLY 35 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.13 -4.51 1.61 6.02 -1.26 -4.82 117.38 111.29 1ujx n GLN 36 Ca 0.00 -0.92 -0.29 0.00 -0.01 0.00 0.00 57.00 55.79 1ujx n GLN 36 Cb 0.00 -1.81 -0.17 0.00 1.02 0.00 0.00 30.24 29.29 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 -2.18 1.73 -0.52 -1.58 0.00 -1.26 -4.20 121.76 113.75 1ujx s ALA 37 Ca 0.57 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 1ujx s ALA 37 Cb -0.13 -0.83 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1ujx s ALA 37 CO 0.54 -0.05 0.64 -1.17 0.00 0.00 0.00 175.76 175.72 1ujx s LEU 38 N 0.93 5.02 -0.09 0.00 2.96 0.30 -4.84 118.68 122.97 1ujx s LEU 38 Ca -0.08 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.55 1ujx s LEU 38 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1ujx s LEU 38 CO -0.01 -0.92 1.31 -0.69 -1.32 0.00 0.00 176.35 174.72 1ujx s VAL 39 N 2.64 4.08 0.43 1.68 1.01 -1.26 -2.01 120.40 126.97 1ujx s VAL 39 Ca 0.15 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.58 1ujx s VAL 39 Cb -0.20 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1ujx s VAL 39 CO 0.11 -0.06 0.48 -0.76 0.00 0.00 0.00 175.10 174.86 1ujx s LEU 40 N 2.96 3.49 0.00 3.92 1.43 -1.03 -4.94 118.68 124.51 1ujx s LEU 40 Ca 0.59 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1ujx s LEU 40 Cb -0.26 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1ujx s LEU 40 CO 0.21 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1ujx n GLY 41 N -1.71 0.11 3.76 -3.19 0.00 -1.26 -2.22 105.19 100.69 1ujx n GLY 41 Ca 0.06 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 4.52 0.00 1.61 0.52 -1.24 -4.38 118.95 117.98 1ujx s ARG 42 Ca 0.00 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1ujx s ARG 42 Cb 0.00 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1ujx s ARG 42 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1ujx n GLY 43 N 1.12 0.95 0.00 -3.53 0.00 0.53 -4.52 105.19 99.75 1ujx n GLY 43 Ca -0.00 -2.00 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 -1.08 0.75 0.49 1.61 -0.04 -1.26 -1.68 135.00 133.80 1ujx n PRO 44 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1ujx n PRO 44 Cb 0.00 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -1.07 -2.96 1.53 4.07 -1.87 -3.32 115.31 111.69 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 0.00 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1ujx h LEU 45 CO 0.00 -0.74 0.00 0.35 -1.08 0.00 0.00 178.44 176.97 1ujx n THR 46 N -5.52 1.04 -1.60 0.22 -2.24 -1.24 -4.81 114.28 100.13 1ujx n THR 46 Ca -0.16 -1.04 -0.15 0.00 -2.27 0.00 0.00 64.05 60.43 1ujx n THR 46 Cb 0.50 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.14 -1.08 -3.02 -0.78 1.13 -0.67 -4.60 117.38 108.22 1ujx n GLN 47 Ca 0.05 0.98 -0.40 0.00 -1.94 0.00 0.00 57.00 55.69 1ujx n GLN 47 Cb 0.34 -5.16 -0.05 0.00 0.11 0.00 0.00 30.24 25.48 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 -2.60 5.00 -0.06 5.09 1.01 -1.02 -4.91 120.40 122.91 1ujx s VAL 48 Ca 0.00 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.51 1ujx s VAL 48 Cb 0.00 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.47 1ujx s VAL 48 CO 0.00 0.16 1.02 0.35 0.00 0.00 0.00 175.10 176.63 1ujx n THR 49 N 4.22 1.08 -2.49 3.92 -2.24 -1.26 -0.34 114.28 117.17 1ujx n THR 49 Ca 0.00 -1.26 -0.41 0.00 -2.27 0.00 0.00 64.05 60.11 1ujx n THR 49 Cb 0.50 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.78 7.22 0.19 3.42 2.15 -1.26 -4.93 116.67 121.67 1ujx s ASP 50 Ca 0.15 2.08 -0.09 0.00 0.43 0.00 0.00 52.55 55.12 1ujx s ASP 50 Cb 0.13 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.26 1ujx s ASP 50 CO 0.01 -0.28 1.72 0.03 -0.17 0.00 0.00 175.17 176.48 1ujx h ARG 51 N 5.45 1.08 -0.80 4.34 3.08 -2.05 -1.92 114.38 123.56 1ujx h ARG 51 Ca -0.44 -0.24 0.22 0.00 0.07 0.00 0.00 59.98 59.59 1ujx h ARG 51 Cb 1.21 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1ujx h ARG 51 CO 0.74 0.95 0.57 0.87 -1.07 0.00 0.00 179.97 182.02 1ujx h LYS 52 N 1.02 0.10 -7.45 0.04 1.79 -2.04 -3.40 116.57 106.63 1ujx h LYS 52 Ca 0.22 -0.01 -0.43 0.00 -2.18 0.00 0.00 60.65 58.25 1ujx h LYS 52 Cb 0.33 -0.02 0.18 0.00 -1.58 0.00 0.00 32.23 31.13 1ujx h LYS 52 CO -0.00 0.07 0.19 0.00 -1.08 0.00 0.00 179.45 178.63 1ujx s SER 54 N -3.94 -0.57 0.44 0.00 0.15 -1.26 -4.85 113.70 103.67 1ujx s SER 54 Ca 0.69 0.99 0.34 0.00 0.70 0.00 0.00 55.95 58.68 1ujx s SER 54 Cb -0.11 0.91 1.46 0.00 -1.71 0.00 0.00 66.02 66.56 1ujx s SER 54 CO 0.56 -0.19 1.47 0.54 1.20 0.00 0.00 173.24 176.82 1ujx n ARG 55 N 3.85 -0.03 -2.65 5.44 1.74 -1.26 0.16 116.66 123.91 1ujx n ARG 55 Ca -0.20 1.15 -0.28 0.00 -0.77 0.00 0.00 57.85 57.75 1ujx n ARG 55 Cb 0.56 -2.33 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1ujx n ARG 55 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ujx n ASN 56 N -4.42 4.77 0.09 0.55 3.02 -1.26 -4.08 115.26 113.93 1ujx n ASN 56 Ca 0.39 -3.71 -0.13 0.00 -0.03 0.00 0.00 54.58 51.10 1ujx n ASN 56 Cb 1.57 -0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1ujx h GLN 57 N 2.79 -0.18 -4.44 3.52 5.75 0.20 -2.51 115.11 120.22 1ujx h GLN 57 Ca 0.25 0.01 -0.21 0.00 -0.15 0.00 0.00 58.65 58.55 1ujx h GLN 57 Cb 0.71 0.04 -0.14 0.00 1.07 0.00 0.00 27.48 29.16 1ujx h GLN 57 CO 0.86 0.06 -0.56 0.14 -2.65 0.00 0.00 178.83 176.68 1ujx s VAL 58 N -5.26 0.02 -0.24 2.39 -7.23 -1.24 0.25 120.40 109.08 1ujx s VAL 58 Ca -0.15 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1ujx s VAL 58 Cb 0.04 -2.37 0.06 0.00 0.56 0.00 0.00 36.38 34.66 1ujx s VAL 58 CO 0.63 -0.09 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.55 1ujx s GLU 59 N -4.12 2.00 0.06 4.82 2.12 0.26 -2.48 118.70 121.37 1ujx s GLU 59 Ca 0.34 -1.16 -0.13 0.00 0.36 0.00 0.00 54.97 54.39 1ujx s GLU 59 Cb 0.06 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.66 1ujx s GLU 59 CO 0.10 -0.56 0.43 -0.51 -0.54 0.00 0.00 175.26 174.18 1ujx s LEU 60 N 1.24 4.40 -0.06 2.70 1.02 -0.85 -1.96 118.68 125.17 1ujx s LEU 60 Ca -0.07 0.91 -0.02 0.00 0.02 0.00 0.00 54.13 54.97 1ujx s LEU 60 Cb -0.19 -2.89 0.03 0.00 0.02 0.00 0.00 46.19 43.16 1ujx s LEU 60 CO -0.06 0.22 0.07 -0.63 0.02 0.00 0.00 176.35 175.97 1ujx s ILE 61 N -1.29 -0.12 -0.10 -0.59 1.01 -0.97 0.11 121.20 119.25 1ujx s ILE 61 Ca 0.30 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 1ujx s ILE 61 Cb -0.15 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1ujx s ILE 61 CO 0.17 0.13 1.27 0.00 0.00 0.00 0.00 174.94 176.51 1ujx s ALA 62 N 2.18 3.59 -0.56 9.38 0.00 -1.26 -2.73 121.76 132.35 1ujx s ALA 62 Ca 0.05 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1ujx s ALA 62 Cb -0.12 -3.58 0.14 0.00 0.00 0.00 0.00 23.12 19.55 1ujx s ALA 62 CO -0.04 -1.00 0.32 0.34 0.00 0.00 0.00 175.76 175.38 1ujx s ASP 63 N 1.84 4.48 0.00 0.00 2.15 0.34 -4.66 116.67 120.82 1ujx s ASP 63 Ca 0.57 -3.15 0.22 0.00 0.43 0.00 0.00 52.55 50.62 1ujx s ASP 63 Cb -0.24 -1.66 1.29 0.00 -0.30 0.00 0.00 42.92 42.00 1ujx s ASP 63 CO 0.19 -0.22 1.69 -0.81 -0.17 0.00 0.00 175.17 175.86 1ujx n PRO 64 N 2.94 0.75 -0.12 4.34 -0.04 -1.26 -0.48 135.00 141.13 1ujx n PRO 64 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1ujx n PRO 64 Cb 0.33 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.92 0.00 0.54 5.08 -1.91 -3.35 114.58 115.86 1ujx h GLU 65 Ca 0.00 -0.45 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 1ujx h GLU 65 Cb 0.00 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 1ujx h GLU 65 CO 0.00 1.10 -0.80 0.43 -1.00 0.00 0.00 179.01 178.75 1ujx n SER 66 N -4.07 0.55 -3.84 1.42 7.64 -1.18 -4.99 113.62 109.14 1ujx n SER 66 Ca -0.01 -1.98 -0.25 0.00 1.01 0.00 0.00 58.87 57.64 1ujx n SER 66 Cb 0.51 -0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.29 -4.67 -4.71 1.43 3.00 -0.44 -4.97 116.66 106.59 1ujx n ARG 67 Ca 0.02 0.56 -0.31 0.00 -0.01 0.00 0.00 57.85 58.11 1ujx n ARG 67 Cb 0.96 -5.13 -0.09 0.00 0.00 0.00 0.00 32.46 28.20 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 -3.60 1.35 -0.24 0.55 -4.23 0.37 -3.83 115.64 106.01 1ujx s THR 68 Ca 0.23 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 1ujx s THR 68 Cb -0.12 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.40 1ujx s THR 68 CO 0.84 0.00 0.55 -0.69 -0.54 0.00 0.00 174.62 174.78 1ujx s VAL 69 N -2.86 -0.30 0.15 2.29 1.01 -0.86 -0.51 120.40 119.32 1ujx s VAL 69 Ca 0.15 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1ujx s VAL 69 Cb 0.04 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 1ujx s VAL 69 CO 0.08 0.02 0.57 0.00 0.00 0.00 0.00 175.10 175.77 1ujx s ALA 70 N 1.97 3.56 -0.20 5.51 0.00 -1.11 0.18 121.76 131.67 1ujx s ALA 70 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1ujx s ALA 70 Cb -0.08 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.53 1ujx s ALA 70 CO -0.16 0.44 -0.01 0.08 0.00 0.00 0.00 175.76 176.10 1ujx s VAL 71 N -1.46 1.00 -0.21 0.00 1.01 0.02 -2.28 120.40 118.46 1ujx s VAL 71 Ca 0.38 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1ujx s VAL 71 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1ujx s VAL 71 CO 0.19 -0.10 -0.03 -0.75 0.00 0.00 0.00 175.10 174.41 1ujx s LYS 72 N 1.65 3.45 -0.16 2.72 2.20 -0.83 -0.82 119.74 127.95 1ujx s LYS 72 Ca -0.02 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1ujx s LYS 72 Cb -0.17 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1ujx s LYS 72 CO -0.07 -0.13 1.18 -1.14 -0.36 0.00 0.00 175.35 174.82 1ujx s GLN 73 N 1.34 4.27 0.00 4.03 0.74 -0.95 0.93 119.66 130.02 1ujx s GLN 73 Ca 0.04 1.57 0.02 0.00 0.05 0.00 0.00 55.36 57.04 1ujx s GLN 73 Cb -0.14 -3.68 0.01 0.00 1.10 0.00 0.00 33.01 30.29 1ujx s GLN 73 CO -0.01 -0.62 0.48 1.28 -0.55 0.00 0.00 175.29 175.87 1ujx n LEU 74 N 6.19 0.97 0.00 3.68 4.77 0.14 -1.73 117.00 131.01 1ujx n LEU 74 Ca 0.13 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1ujx n LEU 74 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ujx n LEU 74 CO 0.54 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1ujx n GLY 75 N 0.31 1.15 1.32 -0.72 0.00 0.50 -4.78 105.19 102.97 1ujx n GLY 75 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.31 -1.96 1.61 3.14 -1.26 -4.86 118.33 115.31 1ujx n VAL 76 Ca 0.00 0.10 -0.41 0.00 -2.96 0.00 0.00 64.34 61.07 1ujx n VAL 76 Cb 0.00 -1.21 -0.01 0.00 -1.06 0.00 0.00 33.84 31.56 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 -5.25 6.56 -0.05 6.55 0.01 -1.26 -4.63 114.94 116.87 1ujx s ASN 77 Ca 0.00 2.85 -0.30 0.00 -0.71 0.00 0.00 52.86 54.70 1ujx s ASN 77 Cb 0.00 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 1ujx s ASN 77 CO 0.00 -0.71 1.22 -2.16 -1.51 0.00 0.00 177.10 173.94 1ujx s PRO 78 N -1.72 4.34 0.46 -0.60 0.04 -1.26 -4.89 135.00 131.36 1ujx s PRO 78 Ca 0.52 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 78 Cb -0.43 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1ujx s PRO 78 CO 0.56 -0.47 0.77 -1.12 0.04 0.00 0.00 177.00 176.77 1ujx s SER 79 N 1.54 6.30 -0.31 6.66 0.01 -1.26 -4.67 113.70 121.97 1ujx s SER 79 Ca 0.57 0.93 -0.00 0.00 1.31 0.00 0.00 55.95 58.75 1ujx s SER 79 Cb -0.25 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 63.80 1ujx s SER 79 CO 0.22 -0.53 0.01 -0.89 0.41 0.00 0.00 173.24 172.46 1ujx s THR 80 N -2.66 2.74 -1.05 1.44 2.01 -1.24 0.19 115.64 117.08 1ujx s THR 80 Ca 0.47 -1.67 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1ujx s THR 80 Cb -0.10 -2.68 0.16 0.00 0.01 0.00 0.00 72.50 69.89 1ujx s THR 80 CO 0.42 -0.23 1.23 -0.69 -0.69 0.00 0.00 174.62 174.66 1ujx s VAL 81 N 1.15 4.99 0.00 3.82 1.01 -0.29 -1.92 120.40 129.17 1ujx s VAL 81 Ca -0.02 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.77 1ujx s VAL 81 Cb -0.20 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.38 1ujx s VAL 81 CO -0.03 -1.50 0.00 0.61 0.00 0.00 0.00 175.10 174.17 1ujx n GLY 82 N 4.65 1.19 0.30 4.51 0.00 -0.26 -3.64 105.19 111.94 1ujx n GLY 82 Ca 0.28 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 0.63 -4.93 1.61 3.14 -1.26 -4.77 118.33 112.74 1ujx n VAL 83 Ca 0.00 -0.74 -0.26 0.00 -2.96 0.00 0.00 64.34 60.37 1ujx n VAL 83 Cb 0.00 0.32 -0.16 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 -0.93 1.66 0.07 1.45 0.74 -1.24 -5.12 119.66 116.29 1ujx s GLN 84 Ca 0.10 -0.68 -0.24 0.00 0.05 0.00 0.00 55.36 54.58 1ujx s GLN 84 Cb 0.09 -1.56 -0.06 0.00 1.10 0.00 0.00 33.01 32.58 1ujx s GLN 84 CO 0.01 0.38 0.74 -2.00 -0.55 0.00 0.00 175.29 173.86 1ujx s GLU 85 N -0.33 4.47 0.16 1.67 2.12 -1.26 -1.14 118.70 124.39 1ujx s GLU 85 Ca 0.05 1.03 0.01 0.00 0.36 0.00 0.00 54.97 56.41 1ujx s GLU 85 Cb -0.09 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1ujx s GLU 85 CO 0.00 0.38 0.22 1.28 -0.54 0.00 0.00 175.26 176.60 1ujx n LEU 86 N 2.46 0.00 -4.13 2.70 4.77 0.51 -4.94 117.00 118.37 1ujx n LEU 86 Ca -0.04 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 1ujx n LEU 86 Cb 0.50 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1ujx n LEU 86 CO 0.46 -0.59 -0.02 -0.54 -1.33 0.00 0.00 177.39 175.36 1ujx s LYS 87 N -2.88 1.50 -0.32 3.23 1.02 -1.26 -4.40 119.74 116.63 1ujx s LYS 87 Ca 0.15 -1.58 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 1ujx s LYS 87 Cb -0.01 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1ujx s LYS 87 CO 0.10 -0.57 1.36 -1.25 -0.92 0.00 0.00 175.35 174.06 1ujx s PRO 88 N -3.82 3.83 0.00 -1.68 0.04 -1.26 -2.24 135.00 129.87 1ujx s PRO 88 Ca 0.32 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1ujx s PRO 88 Cb 0.03 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1ujx s PRO 88 CO 0.14 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1ujx n GLY 89 N 4.51 0.72 3.96 0.56 0.00 -0.71 -5.06 105.19 109.18 1ujx n GLY 89 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 2.83 -0.28 0.99 2.96 -0.95 -4.87 118.68 119.36 1ujx s LEU 90 Ca 0.00 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1ujx s LEU 90 Cb 0.00 -2.07 0.08 0.00 0.50 0.00 0.00 46.19 44.69 1ujx s LEU 90 CO 0.00 -2.43 0.70 -0.44 -1.32 0.00 0.00 176.35 172.86 1ujx s SER 91 N -4.85 -0.88 0.00 3.68 0.01 -1.26 -2.24 113.70 108.15 1ujx s SER 91 Ca 0.72 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1ujx s SER 91 Cb -0.04 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1ujx s SER 91 CO 0.50 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1ujx n GLY 92 N 3.82 4.33 3.23 3.44 0.00 -0.00 -4.94 105.19 115.07 1ujx n GLY 92 Ca -0.18 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.76 2.07 -0.15 1.61 1.04 -1.26 -0.80 113.70 115.44 1ujx s SER 93 Ca 0.00 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1ujx s SER 93 Cb 0.00 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1ujx s SER 93 CO 0.00 -0.02 -0.14 -0.76 0.98 0.00 0.00 173.24 173.30 1ujx s LEU 94 N -1.87 1.76 0.34 2.42 1.02 0.48 -4.92 118.68 117.92 1ujx s LEU 94 Ca 0.02 -0.53 -0.12 0.00 0.02 0.00 0.00 54.13 53.52 1ujx s LEU 94 Cb -0.10 -1.20 -0.07 0.00 0.02 0.00 0.00 46.19 44.84 1ujx s LEU 94 CO 0.03 -0.06 0.71 -0.44 0.02 0.00 0.00 176.35 176.61 1ujx s SER 95 N 1.47 6.63 -0.60 2.29 0.01 -1.26 -2.04 113.70 120.21 1ujx s SER 95 Ca 0.04 1.14 -0.31 0.00 1.31 0.00 0.00 55.95 58.13 1ujx s SER 95 Cb -0.13 -2.32 -0.13 0.00 0.21 0.00 0.00 66.02 63.65 1ujx s SER 95 CO -0.11 -0.27 2.42 0.18 0.41 0.00 0.00 173.24 175.88 1ujx n LEU 96 N -0.75 1.61 0.00 2.44 4.77 -1.25 0.11 117.00 123.93 1ujx n LEU 96 Ca 0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1ujx n LEU 96 Cb 0.53 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1ujx n LEU 96 CO 0.45 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1ujx n GLY 97 N 6.37 1.26 3.55 -0.72 0.00 0.57 -4.99 105.19 111.22 1ujx n GLY 97 Ca 0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.37 -4.97 1.61 9.92 0.29 -4.42 116.55 118.62 1ujx n ASP 98 Ca 0.00 0.59 -0.20 0.00 -0.53 0.00 0.00 54.79 54.66 1ujx n ASP 98 Cb 0.00 -1.32 -0.01 0.00 -0.64 0.00 0.00 41.12 39.14 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 4.18 -0.38 2.53 1.01 -1.26 -2.52 120.40 122.01 1ujx s VAL 99 Ca 0.69 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1ujx s VAL 99 Cb -0.33 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 32.76 1ujx s VAL 99 CO 0.55 -0.19 0.32 -0.22 0.00 0.00 0.00 175.10 175.56 1ujx s LEU 100 N -4.12 0.66 -0.56 3.92 2.96 -0.65 -1.10 118.68 119.80 1ujx s LEU 100 Ca 0.43 -2.22 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 1ujx s LEU 100 Cb -0.09 -0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 1ujx s LEU 100 CO 0.30 -0.25 2.15 -0.31 -1.32 0.00 0.00 176.35 176.93 1ujx s TYR 101 N 0.90 1.35 0.14 5.38 2.02 -0.81 -3.22 117.35 123.11 1ujx s TYR 101 Ca 0.22 1.21 -0.21 0.00 -0.37 0.00 0.00 57.07 57.92 1ujx s TYR 101 Cb -0.13 -3.82 0.02 0.00 -0.40 0.00 0.00 41.96 37.64 1ujx s TYR 101 CO -0.06 -2.40 1.21 -0.11 -1.57 0.00 0.00 175.55 172.62 1ujx n LEU 102 N 14.51 -0.73 -3.79 -1.29 0.00 -0.69 -3.59 117.00 121.41 1ujx n LEU 102 Ca 0.29 1.38 -0.04 0.00 0.00 0.00 0.00 56.01 57.65 1ujx n LEU 102 Cb 0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 43.42 43.73 1ujx n LEU 102 CO 0.71 -1.16 0.71 0.54 0.00 0.00 0.00 177.39 178.18 1ujx s VAL 103 N -5.50 0.00 -1.68 1.96 0.11 -1.23 -4.71 120.40 109.35 1ujx s VAL 103 Ca -0.10 -0.69 -0.09 0.00 -2.93 0.00 0.00 61.98 58.16 1ujx s VAL 103 Cb 0.11 -2.24 0.09 0.00 -1.53 0.00 0.00 36.38 32.81 1ujx s VAL 103 CO 0.51 0.00 0.24 0.59 -3.33 0.00 0.00 175.10 173.11 1ujx n ASN 104 N -0.69 -0.15 -2.13 3.54 5.03 -1.26 0.17 115.26 119.77 1ujx n ASN 104 Ca -0.05 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.13 1ujx n ASN 104 Cb 0.60 -1.61 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ujx n GLY 105 N -1.99 -0.40 0.38 7.41 0.00 -1.26 -4.80 105.19 104.53 1ujx n GLY 105 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 0.00 -4.04 0.99 4.77 0.45 -4.86 117.00 112.23 1ujx n LEU 106 Ca 0.00 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 1ujx n LEU 106 Cb 0.40 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1ujx n LEU 106 CO 0.00 -0.05 -0.16 -1.22 -1.33 0.00 0.00 177.39 174.63 1ujx n TYR 107 N -0.12 -1.25 -1.52 -1.77 4.01 -1.26 -2.56 117.16 112.68 1ujx n TYR 107 Ca -0.02 0.07 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 1ujx n TYR 107 Cb 0.07 -2.46 0.17 0.00 -0.31 0.00 0.00 39.34 36.81 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 -7.13 0.41 -0.19 -0.72 0.04 -1.26 -1.71 135.00 124.43 1ujx s PRO 108 Ca 0.42 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.34 1ujx s PRO 108 Cb -0.24 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1ujx s PRO 108 CO 0.87 -2.64 0.49 -0.51 0.04 0.00 0.00 177.00 175.26 1ujx s LEU 109 N -6.23 -0.08 -0.22 -3.56 1.02 -1.20 -4.62 118.68 103.79 1ujx s LEU 109 Ca 0.68 1.02 -0.12 0.00 0.02 0.00 0.00 54.13 55.74 1ujx s LEU 109 Cb -0.11 1.66 -0.05 0.00 0.02 0.00 0.00 46.19 47.72 1ujx s LEU 109 CO 0.54 -0.19 0.20 -0.89 0.02 0.00 0.00 176.35 176.04 1ujx s THR 110 N 0.80 5.34 -0.37 5.49 2.01 -1.17 -1.64 115.64 126.10 1ujx s THR 110 Ca -0.04 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 1ujx s THR 110 Cb -0.05 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1ujx s THR 110 CO -0.06 0.35 1.02 -0.22 -0.69 0.00 0.00 174.62 175.02 1ujx s LEU 111 N 0.93 3.91 0.34 4.42 2.96 -1.05 -0.03 118.68 130.16 1ujx s LEU 111 Ca 0.10 0.75 0.09 0.00 -0.22 0.00 0.00 54.13 54.85 1ujx s LEU 111 Cb -0.13 -3.42 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 1ujx s LEU 111 CO 0.04 -0.93 -0.05 -0.13 -1.32 0.00 0.00 176.35 173.96 1ujx s ARG 112 N 3.70 1.93 -0.02 1.98 1.81 0.57 -0.31 118.95 128.62 1ujx s ARG 112 Ca 0.43 -1.86 0.01 0.00 -1.72 0.00 0.00 55.73 52.59 1ujx s ARG 112 Cb -0.11 -1.80 0.01 0.00 -0.45 0.00 0.00 34.95 32.60 1ujx s ARG 112 CO 0.19 0.14 -0.02 -0.46 -0.68 0.00 0.00 175.30 174.47 1ujx s TRP 113 N -2.57 0.36 0.11 -0.53 -0.11 -1.26 -0.90 118.94 114.03 1ujx s TRP 113 Ca 0.34 -0.05 -0.30 0.00 1.22 0.00 0.00 56.10 57.30 1ujx s TRP 113 Cb 0.01 -0.32 -0.06 0.00 -1.50 0.00 0.00 33.47 31.61 1ujx s TRP 113 CO 0.18 -0.06 0.97 0.45 -4.62 0.00 0.00 176.95 173.86 1ujx s SER 114 N 0.39 7.48 0.19 5.86 0.15 0.51 -4.87 113.70 123.41 1ujx s SER 114 Ca -0.04 1.80 -0.18 0.00 0.70 0.00 0.00 55.95 58.23 1ujx s SER 114 Cb -0.07 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1ujx s SER 114 CO -0.01 -0.09 0.54 -0.83 1.20 0.00 0.00 173.24 174.05 1ujx s GLY 115 N 0.06 -0.16 -0.17 9.45 0.00 -1.26 -2.50 107.32 112.74 1ujx s GLY 115 Ca 0.47 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 1ujx s GLY 115 CO 0.30 -0.21 1.28 2.56 0.00 0.00 0.00 173.10 177.03 1ujx s PRO 116 N -3.86 4.20 -0.30 2.90 0.04 -1.26 -4.91 135.00 131.81 1ujx s PRO 116 Ca 0.08 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1ujx s PRO 116 Cb -0.01 -3.78 0.19 0.00 0.04 0.00 0.00 34.50 30.93 1ujx s PRO 116 CO -0.04 -0.75 1.16 0.45 0.04 0.00 0.00 177.00 177.86 1ujx s SER 117 N 2.10 -0.01 0.22 6.66 0.15 -1.26 -5.06 113.70 116.50 1ujx s SER 117 Ca 0.55 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1ujx s SER 117 Cb -0.22 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1ujx s SER 117 CO 0.16 -0.00 0.00 -0.24 1.20 0.00 0.00 173.24 174.36 1ujx n SER 118 N 3.77 -0.37 0.00 5.45 2.88 -1.26 -5.28 113.62 118.81 1ujx n SER 118 Ca 0.05 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ujx n SER 118 Cb 0.64 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42