#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx n SER 2 N 0.00 1.94 -2.66 1.61 3.41 -1.26 -5.09 113.62 111.57 1ujx n SER 2 Ca 0.00 0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.89 1ujx n SER 2 Cb 0.00 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.16 1ujx n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujx n SER 3 N -4.42 -1.92 0.00 4.04 2.88 -1.26 -5.00 113.62 107.94 1ujx n SER 3 Ca -0.21 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1ujx n SER 3 Cb 0.58 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 4 N 1.65 -0.63 2.65 0.46 0.00 -1.26 -5.11 105.19 102.95 1ujx n GLY 4 Ca -0.34 0.57 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 2.01 0.40 1.61 0.01 -1.26 -5.07 113.70 107.40 1ujx s SER 5 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ujx s SER 5 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ujx s SER 5 CO 0.00 -0.34 0.00 -0.24 0.41 0.00 0.00 173.24 173.07 1ujx n SER 6 N 5.29 -7.31 -2.68 2.44 2.88 -1.26 -5.04 113.62 107.94 1ujx n SER 6 Ca -0.06 1.02 -0.05 0.00 -1.33 0.00 0.00 58.87 58.44 1ujx n SER 6 Cb 0.49 -3.70 0.10 0.00 -0.75 0.00 0.00 64.21 60.35 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 7 N -0.65 -0.90 3.61 0.46 0.00 -1.26 -5.02 105.19 101.42 1ujx n GLY 7 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.63 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 0.14 0.33 0.10 1.61 1.00 -1.26 -5.09 119.30 116.13 1ujx s MET 8 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 55.69 55.80 1ujx s MET 8 Cb 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 34.83 35.21 1ujx s MET 8 CO -0.15 -0.15 -0.12 -1.54 0.00 0.00 0.00 175.02 173.06 1ujx s SER 9 N -2.56 1.64 -0.01 3.03 1.04 -1.26 -5.04 113.70 110.54 1ujx s SER 9 Ca 0.12 -0.75 0.12 0.00 0.48 0.00 0.00 55.95 55.92 1ujx s SER 9 Cb 0.02 -0.03 -0.18 0.00 0.10 0.00 0.00 66.02 65.94 1ujx s SER 9 CO -0.04 -0.18 0.35 1.67 0.98 0.00 0.00 173.24 176.02 1ujx n GLN 10 N 0.76 1.20 -2.96 4.02 -0.06 -1.26 -5.07 117.38 114.01 1ujx n GLN 10 Ca -0.17 -0.08 -0.01 0.00 -2.00 0.00 0.00 57.00 54.74 1ujx n GLN 10 Cb 0.56 -1.23 -0.01 0.00 -4.06 0.00 0.00 30.24 25.51 1ujx n GLN 10 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ujx n LEU 11 N -1.73 -5.28 -3.85 1.69 4.32 -1.26 -5.01 117.00 105.88 1ujx n LEU 11 Ca -0.01 1.12 -0.15 0.00 -0.02 0.00 0.00 56.01 56.95 1ujx n LEU 11 Cb 0.28 -2.25 -0.15 0.00 -1.62 0.00 0.00 43.42 39.69 1ujx n LEU 11 CO 0.26 -2.67 -0.37 -0.83 -1.22 0.00 0.00 177.39 172.56 1ujx s GLY 12 N -0.80 0.16 -0.12 -0.72 0.00 -1.26 -5.14 107.32 99.44 1ujx s GLY 12 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.75 1ujx s GLY 12 CO 0.31 0.30 -0.18 -0.56 0.00 0.00 0.00 173.10 172.96 1ujx s SER 13 N 0.53 3.59 0.19 1.64 0.01 -1.26 -4.95 113.70 113.44 1ujx s SER 13 Ca -0.05 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 56.86 1ujx s SER 13 Cb -0.08 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 1ujx s SER 13 CO -0.01 0.16 -0.16 -0.13 0.41 0.00 0.00 173.24 173.51 1ujx s ARG 14 N 0.36 1.32 0.72 12.44 0.52 -1.26 -5.08 118.95 127.96 1ujx s ARG 14 Ca -0.14 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.54 1ujx s ARG 14 Cb -0.17 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.09 1ujx s ARG 14 CO 0.07 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.02 1ujx n GLY 15 N -0.15 -0.61 3.41 -3.53 0.00 -1.26 -4.92 105.19 98.13 1ujx n GLY 15 Ca -0.10 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.53 0.58 0.55 1.61 1.70 -1.26 -4.98 118.95 116.63 1ujx s ARG 16 Ca 0.00 0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 55.86 1ujx s ARG 16 Cb 0.00 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.57 1ujx s ARG 16 CO 0.00 -0.08 1.00 -0.51 -1.08 0.00 0.00 175.30 174.63 1ujx s LEU 17 N 0.45 3.51 -0.08 -1.89 1.43 -1.26 -1.08 118.68 119.76 1ujx s LEU 17 Ca -0.01 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.34 1ujx s LEU 17 Cb -0.04 -4.50 0.11 0.00 0.03 0.00 0.00 46.19 41.79 1ujx s LEU 17 CO -0.02 -0.70 0.91 -1.66 0.23 0.00 0.00 176.35 175.11 1ujx s TRP 18 N -2.76 -0.40 0.02 0.29 1.48 -1.04 -2.64 118.94 113.89 1ujx s TRP 18 Ca 0.58 0.53 -0.18 0.00 -1.06 0.00 0.00 56.10 55.98 1ujx s TRP 18 Cb -0.11 0.48 -0.06 0.00 -1.16 0.00 0.00 33.47 32.62 1ujx s TRP 18 CO 0.38 -0.46 0.51 -0.51 -4.06 0.00 0.00 176.95 172.81 1ujx s LEU 19 N -1.66 4.47 -0.48 -4.66 2.01 -0.67 -0.89 118.68 116.80 1ujx s LEU 19 Ca -0.00 1.11 -0.13 0.00 0.01 0.00 0.00 54.13 55.12 1ujx s LEU 19 Cb -0.01 -2.78 0.10 0.00 0.01 0.00 0.00 46.19 43.51 1ujx s LEU 19 CO -0.02 0.24 0.39 -1.58 1.01 0.00 0.00 176.35 176.39 1ujx s GLN 20 N -0.80 2.82 0.16 1.70 0.74 0.24 -3.38 119.66 121.15 1ujx s GLN 20 Ca 0.27 -1.54 -0.08 0.00 0.05 0.00 0.00 55.36 54.05 1ujx s GLN 20 Cb -0.18 -4.07 -0.06 0.00 1.10 0.00 0.00 33.01 29.80 1ujx s GLN 20 CO 0.16 -1.12 0.46 -1.54 -0.55 0.00 0.00 175.29 172.70 1ujx s SER 21 N 2.79 6.60 0.93 6.67 1.04 -1.26 -4.06 113.70 126.41 1ujx s SER 21 Ca 0.04 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.14 1ujx s SER 21 Cb -0.26 -2.18 0.15 0.00 0.10 0.00 0.00 66.02 63.83 1ujx s SER 21 CO 0.03 0.03 1.15 -2.16 0.98 0.00 0.00 173.24 173.28 1ujx s PRO 22 N -2.51 0.99 0.03 4.02 0.04 -1.26 -4.81 135.00 131.50 1ujx s PRO 22 Ca 0.42 0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.77 1ujx s PRO 22 Cb -0.12 -1.83 0.38 0.00 0.04 0.00 0.00 34.50 32.97 1ujx s PRO 22 CO 0.21 -2.29 1.27 -2.37 0.04 0.00 0.00 177.00 173.87 1ujx n THR 23 N -3.81 1.45 -0.92 1.26 5.66 -1.26 -1.48 114.28 115.18 1ujx n THR 23 Ca 0.07 0.39 -0.13 0.00 -3.05 0.00 0.00 64.05 61.33 1ujx n THR 23 Cb 0.59 -1.28 0.22 0.00 -1.55 0.00 0.00 70.33 68.32 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 -0.76 3.84 0.00 1.09 0.00 -1.26 -4.94 105.19 103.16 1ujx n GLY 24 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.52 2.90 3.78 -0.02 0.00 -0.55 -5.17 105.19 105.61 1ujx n GLY 25 Ca 0.45 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.09 0.48 0.99 1.61 0.04 -1.26 -4.87 135.00 131.89 1ujx s PRO 26 Ca 0.00 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.93 1ujx s PRO 26 Cb 0.00 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.94 1ujx s PRO 26 CO 0.00 -2.60 1.18 -1.25 0.04 0.00 0.00 177.00 174.37 1ujx s PRO 27 N -5.46 0.46 -0.19 0.56 0.04 -1.26 -4.49 135.00 124.66 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 32.63 1ujx s PRO 27 CO 0.54 -2.61 1.29 -1.25 0.04 0.00 0.00 177.00 175.00 1ujx s PRO 28 N -5.47 4.17 -0.02 0.56 0.04 -1.26 -4.67 135.00 128.36 1ujx s PRO 28 Ca 0.68 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 1ujx s PRO 28 Cb -0.11 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1ujx s PRO 28 CO 0.54 -0.79 0.35 0.42 0.04 0.00 0.00 177.00 177.56 1ujx s ILE 29 N 3.69 5.13 -0.26 0.56 1.09 -1.22 -4.90 121.20 125.30 1ujx s ILE 29 Ca 0.56 0.69 -0.08 0.00 -1.10 0.00 0.00 60.65 60.72 1ujx s ILE 29 Cb -0.21 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1ujx s ILE 29 CO 0.17 0.58 0.10 -0.36 -0.10 0.00 0.00 174.94 175.32 1ujx s PHE 30 N -1.08 3.12 0.89 3.97 0.40 -1.26 -1.67 117.98 122.34 1ujx s PHE 30 Ca 0.22 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1ujx s PHE 30 Cb -0.16 -2.27 0.12 0.00 0.51 0.00 0.00 43.02 41.22 1ujx s PHE 30 CO 0.12 -0.35 1.09 -0.51 0.70 0.00 0.00 175.22 176.27 1ujx s LEU 31 N 1.63 2.26 0.67 -0.37 1.43 -1.08 -5.01 118.68 118.21 1ujx s LEU 31 Ca 0.06 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1ujx s LEU 31 Cb -0.16 -3.85 -0.00 0.00 0.03 0.00 0.00 46.19 42.21 1ujx s LEU 31 CO 0.05 -2.56 1.06 -2.16 0.23 0.00 0.00 176.35 172.97 1ujx s PRO 32 N -4.98 3.03 -0.19 1.29 0.04 -1.26 -4.74 135.00 128.18 1ujx s PRO 32 Ca 0.63 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.74 1ujx s PRO 32 Cb -0.17 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 1ujx s PRO 32 CO 0.56 -1.03 -0.09 -1.13 0.04 0.00 0.00 177.00 175.36 1ujx n SER 33 N -2.89 1.71 -0.49 6.66 3.41 -1.26 -4.13 113.62 116.63 1ujx n SER 33 Ca 0.08 -0.07 0.41 0.00 -0.26 0.00 0.00 58.87 59.03 1ujx n SER 33 Cb 0.53 0.19 0.74 0.00 -0.26 0.00 0.00 64.21 65.41 1ujx n SER 33 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ujx h ASP 34 N 0.00 0.10 0.00 4.04 5.19 -1.94 -3.43 116.42 120.37 1ujx h ASP 34 Ca -0.47 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1ujx h ASP 34 Cb 1.87 0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.41 1ujx h ASP 34 CO -0.03 -0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.66 1ujx n GLY 35 N -1.74 0.70 3.30 2.75 0.00 -1.26 -5.12 105.19 103.82 1ujx n GLY 35 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.56 -4.40 1.61 3.00 -1.26 -4.76 117.38 110.00 1ujx n GLN 36 Ca 0.00 -0.44 -0.33 0.00 -0.01 0.00 0.00 57.00 56.23 1ujx n GLN 36 Cb 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 30.24 28.33 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujx s ALA 37 N -2.26 2.32 -0.62 -1.58 0.00 -1.26 -4.13 121.76 114.23 1ujx s ALA 37 Ca 0.57 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1ujx s ALA 37 Cb -0.13 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1ujx s ALA 37 CO 0.66 -0.18 0.82 -1.17 0.00 0.00 0.00 175.76 175.90 1ujx s LEU 38 N 1.04 4.92 -0.11 0.00 2.96 0.23 -4.84 118.68 122.87 1ujx s LEU 38 Ca -0.01 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.39 1ujx s LEU 38 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1ujx s LEU 38 CO -0.07 -1.26 1.48 -0.69 -1.32 0.00 0.00 176.35 174.49 1ujx s VAL 39 N 3.32 3.90 0.23 1.68 1.01 -1.26 -2.45 120.40 126.84 1ujx s VAL 39 Ca 0.16 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1ujx s VAL 39 Cb -0.21 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1ujx s VAL 39 CO 0.08 -0.10 0.28 -0.76 0.00 0.00 0.00 175.10 174.60 1ujx s LEU 40 N 3.84 4.12 0.00 3.92 1.43 -0.80 -4.93 118.68 126.25 1ujx s LEU 40 Ca 0.65 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1ujx s LEU 40 Cb -0.28 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1ujx s LEU 40 CO 0.23 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1ujx n GLY 41 N -1.21 -0.49 3.70 -3.19 0.00 -1.25 -2.33 105.19 100.42 1ujx n GLY 41 Ca -0.08 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1ujx n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujx n ARG 42 N 0.00 2.18 0.00 1.61 1.74 -1.24 -4.33 116.66 116.62 1ujx n ARG 42 Ca 0.00 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1ujx n ARG 42 Cb 0.00 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 1ujx n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 43 N 1.16 0.94 0.00 -0.13 0.00 -0.28 -4.56 105.19 102.32 1ujx n GLY 43 Ca 0.06 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.86 0.73 0.45 1.61 -0.04 -1.26 -1.63 135.00 134.00 1ujx n PRO 44 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 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 -0.97 -2.99 1.53 -0.00 -1.87 -3.32 115.31 107.68 1ujx h LEU 45 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1ujx h LEU 45 Cb 0.01 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1ujx h LEU 45 CO 0.00 -0.69 0.00 0.35 -0.00 0.00 0.00 178.44 178.10 1ujx n THR 46 N -5.12 1.19 -1.46 0.22 -2.24 -1.24 -4.86 114.28 100.77 1ujx n THR 46 Ca -0.14 -1.22 -0.16 0.00 -2.27 0.00 0.00 64.05 60.27 1ujx n THR 46 Cb 0.45 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.39 -1.10 -2.57 -0.78 1.13 -0.65 -4.65 117.38 108.38 1ujx n GLN 47 Ca 0.06 1.05 -0.43 0.00 -1.94 0.00 0.00 57.00 55.75 1ujx n GLN 47 Cb 0.38 -5.22 -0.02 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 -2.58 4.52 -0.12 5.09 1.01 -1.06 -4.89 120.40 122.38 1ujx s VAL 48 Ca 0.00 1.82 0.17 0.00 0.00 0.00 0.00 61.98 63.97 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 -0.07 1.19 1.07 0.00 0.00 0.00 175.10 177.28 1ujx n THR 49 N 4.93 1.24 -3.57 3.92 5.66 -1.26 -1.12 114.28 124.08 1ujx n THR 49 Ca 0.11 -2.18 -0.38 0.00 -3.05 0.00 0.00 64.05 58.56 1ujx n THR 49 Cb 0.47 0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 69.41 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 -2.64 6.10 0.55 1.09 2.15 -1.26 -4.94 116.67 117.72 1ujx s ASP 50 Ca 0.34 0.10 0.31 0.00 0.43 0.00 0.00 52.55 53.73 1ujx s ASP 50 Cb 0.35 -2.13 1.47 0.00 -0.30 0.00 0.00 42.92 42.31 1ujx s ASP 50 CO -0.10 -0.04 1.89 0.03 -0.17 0.00 0.00 175.17 176.79 1ujx h ARG 51 N 8.04 0.00 0.00 4.34 3.08 -2.05 1.07 114.38 128.86 1ujx h ARG 51 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1ujx h ARG 51 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ujx h ARG 51 CO 0.60 0.00 0.04 0.87 -1.07 0.00 0.00 179.97 180.41 1ujx h LYS 52 N 0.00 0.00 -6.60 0.04 1.79 -2.02 -3.41 116.57 106.36 1ujx h LYS 52 Ca 0.38 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.41 1ujx h LYS 52 Cb 1.60 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 32.27 1ujx h LYS 52 CO -0.00 0.00 -0.16 0.00 -1.08 0.00 0.00 179.45 178.20 1ujx s SER 54 N -4.27 -0.00 0.46 0.00 0.15 -1.26 -4.78 113.70 104.00 1ujx s SER 54 Ca 0.50 0.03 0.37 0.00 0.70 0.00 0.00 55.95 57.55 1ujx s SER 54 Cb -0.10 0.01 1.53 0.00 -1.71 0.00 0.00 66.02 65.75 1ujx s SER 54 CO 0.36 -0.02 1.52 0.54 1.20 0.00 0.00 173.24 176.84 1ujx n ARG 55 N 3.22 -0.02 -2.93 5.44 1.74 -1.26 0.68 116.66 123.52 1ujx n ARG 55 Ca -0.14 1.17 -0.25 0.00 -0.77 0.00 0.00 57.85 57.85 1ujx n ARG 55 Cb 0.59 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.46 29.58 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 -4.41 3.90 0.00 0.55 0.23 -1.26 -3.96 115.26 110.31 1ujx n ASN 56 Ca 0.41 -3.57 -0.13 0.00 -0.53 0.00 0.00 54.58 50.76 1ujx n ASN 56 Cb 1.67 -0.56 -0.09 0.00 -2.08 0.00 0.00 39.78 38.71 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 2.95 -0.02 -4.28 -3.83 5.75 0.65 -1.05 115.11 115.29 1ujx h GLN 57 Ca 0.14 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.49 1ujx h GLN 57 Cb 0.62 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.03 1ujx h GLN 57 CO 0.77 0.40 -0.64 0.14 -2.65 0.00 0.00 178.83 176.85 1ujx s VAL 58 N -4.52 0.16 -0.20 2.39 -7.23 -1.20 -1.48 120.40 108.32 1ujx s VAL 58 Ca -0.15 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1ujx s VAL 58 Cb 0.02 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.27 1ujx s VAL 58 CO 0.67 -0.74 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.86 1ujx s GLU 59 N -3.97 2.52 -0.09 4.82 2.12 0.33 -1.91 118.70 122.51 1ujx s GLU 59 Ca 0.14 -0.93 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 1ujx s GLU 59 Cb 0.07 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1ujx s GLU 59 CO -0.05 -0.35 0.16 -0.51 -0.54 0.00 0.00 175.26 173.97 1ujx s LEU 60 N 1.29 4.39 -0.09 2.70 1.02 -1.02 -1.89 118.68 125.07 1ujx s LEU 60 Ca 0.00 0.47 -0.01 0.00 0.02 0.00 0.00 54.13 54.61 1ujx s LEU 60 Cb -0.15 -2.20 0.03 0.00 0.02 0.00 0.00 46.19 43.89 1ujx s LEU 60 CO -0.10 0.38 0.00 -0.63 0.02 0.00 0.00 176.35 176.02 1ujx s ILE 61 N -1.09 0.43 -0.28 -0.59 1.01 -0.82 0.74 121.20 120.61 1ujx s ILE 61 Ca 0.18 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 1ujx s ILE 61 Cb -0.12 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 1ujx s ILE 61 CO 0.07 0.21 1.35 0.00 0.00 0.00 0.00 174.94 176.58 1ujx s ALA 62 N 1.94 3.37 -0.63 9.38 0.00 -1.26 -2.43 121.76 132.13 1ujx s ALA 62 Ca 0.04 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1ujx s ALA 62 Cb -0.13 -3.78 0.16 0.00 0.00 0.00 0.00 23.12 19.37 1ujx s ALA 62 CO -0.06 -1.76 0.41 -0.51 0.00 0.00 0.00 175.76 173.84 1ujx s ASP 63 N 2.99 4.84 0.00 0.00 1.01 -0.15 -4.60 116.67 120.76 1ujx s ASP 63 Ca 0.59 -3.22 0.24 0.00 0.71 0.00 0.00 52.55 50.86 1ujx s ASP 63 Cb -0.18 -1.73 1.40 0.00 1.01 0.00 0.00 42.92 43.42 1ujx s ASP 63 CO 0.24 -0.23 1.79 -0.81 0.21 0.00 0.00 175.17 176.36 1ujx n PRO 64 N 2.89 0.70 0.02 8.23 -0.04 -1.26 -0.85 135.00 144.70 1ujx n PRO 64 Ca 0.10 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1ujx n PRO 64 Cb 0.35 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.50 0.00 0.54 4.11 -1.91 -3.33 114.58 114.50 1ujx h GLU 65 Ca 0.00 -0.34 -0.10 0.00 0.07 0.00 0.00 59.36 58.99 1ujx h GLU 65 Cb 0.02 0.05 -0.21 0.00 0.50 0.00 0.00 28.75 29.11 1ujx h GLU 65 CO 0.00 0.95 -0.76 0.43 0.07 0.00 0.00 179.01 179.71 1ujx n SER 66 N -3.93 0.91 -4.17 3.06 7.64 -1.15 -4.99 113.62 111.00 1ujx n SER 66 Ca -0.03 -2.32 -0.31 0.00 1.01 0.00 0.00 58.87 57.21 1ujx n SER 66 Cb 0.63 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.03 -2.36 -4.52 1.43 5.12 -0.64 -4.93 116.66 110.78 1ujx n ARG 67 Ca 0.07 0.28 -0.26 0.00 -1.93 0.00 0.00 57.85 56.02 1ujx n ARG 67 Cb 0.94 -4.41 -0.08 0.00 -1.16 0.00 0.00 32.46 27.75 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ujx s THR 68 N -3.87 0.66 -0.12 0.55 -4.23 -0.03 -4.01 115.64 104.59 1ujx s THR 68 Ca 0.25 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1ujx s THR 68 Cb -0.14 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1ujx s THR 68 CO 0.94 0.00 0.28 -0.69 -0.54 0.00 0.00 174.62 174.62 1ujx s VAL 69 N -3.20 -0.08 0.08 2.29 1.01 0.11 -0.98 120.40 119.64 1ujx s VAL 69 Ca 0.24 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1ujx s VAL 69 Cb 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 1ujx s VAL 69 CO 0.14 0.06 0.62 0.00 0.00 0.00 0.00 175.10 175.93 1ujx s ALA 70 N 1.41 3.54 -0.05 5.51 0.00 -1.02 0.19 121.76 131.33 1ujx s ALA 70 Ca -0.08 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1ujx s ALA 70 Cb -0.10 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1ujx s ALA 70 CO -0.09 0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.87 1ujx s VAL 71 N -0.96 1.77 -0.04 0.00 1.01 0.15 -1.94 120.40 120.39 1ujx s VAL 71 Ca 0.31 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1ujx s VAL 71 Cb -0.20 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1ujx s VAL 71 CO 0.20 0.50 0.06 -0.75 0.00 0.00 0.00 175.10 175.11 1ujx s LYS 72 N -0.04 -0.05 -0.53 2.72 2.20 -0.79 0.13 119.74 123.38 1ujx s LYS 72 Ca -0.05 0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.63 1ujx s LYS 72 Cb -0.13 -0.40 0.03 0.00 -1.51 0.00 0.00 37.83 35.83 1ujx s LYS 72 CO 0.03 -0.27 1.06 -1.14 -0.36 0.00 0.00 175.35 174.67 1ujx s GLN 73 N 1.80 3.52 0.00 4.03 0.74 -0.98 0.12 119.66 128.89 1ujx s GLN 73 Ca -0.00 0.17 0.23 0.00 0.05 0.00 0.00 55.36 55.81 1ujx s GLN 73 Cb -0.12 -3.98 0.12 0.00 1.10 0.00 0.00 33.01 30.12 1ujx s GLN 73 CO -0.03 -1.47 1.19 1.28 -0.55 0.00 0.00 175.29 175.71 1ujx n LEU 74 N 7.80 2.64 0.00 3.68 4.77 -0.55 -1.66 117.00 133.68 1ujx n LEU 74 Ca 0.07 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 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 0.68 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1ujx n GLY 75 N 1.36 1.57 1.04 -0.72 0.00 -0.40 -4.81 105.19 103.23 1ujx n GLY 75 Ca 0.12 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.72 1.61 3.14 -1.26 -4.64 118.33 115.76 1ujx n VAL 76 Ca 0.00 0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 61.06 1ujx n VAL 76 Cb 0.00 -1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 31.28 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 -3.12 3.32 -4.71 6.55 4.13 -1.26 -4.27 115.26 115.90 1ujx n ASN 77 Ca 0.00 1.18 -0.42 0.00 1.68 0.00 0.00 54.58 57.02 1ujx n ASN 77 Cb 0.36 -1.54 -0.03 0.00 -1.54 0.00 0.00 39.78 37.04 1ujx n ASN 77 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ujx s PRO 78 N -1.25 4.43 0.23 3.52 0.04 -1.26 -4.78 135.00 135.93 1ujx s PRO 78 Ca 0.60 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.41 1ujx s PRO 78 Cb -0.54 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1ujx s PRO 78 CO 0.56 -0.28 0.31 -1.12 0.04 0.00 0.00 177.00 176.52 1ujx s SER 79 N 1.15 6.14 -0.22 6.66 0.01 -1.26 -4.58 113.70 121.59 1ujx s SER 79 Ca 0.58 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.83 1ujx s SER 79 Cb -0.28 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.21 1ujx s SER 79 CO 0.28 -0.05 -0.09 -0.89 0.41 0.00 0.00 173.24 172.89 1ujx s THR 80 N -1.98 2.80 -0.86 1.44 2.01 -1.21 0.20 115.64 118.03 1ujx s THR 80 Ca 0.34 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 1ujx s THR 80 Cb -0.09 -2.32 0.22 0.00 0.01 0.00 0.00 72.50 70.32 1ujx s THR 80 CO 0.28 0.36 0.83 -0.69 -0.69 0.00 0.00 174.62 174.70 1ujx s VAL 81 N 1.36 5.59 0.00 3.82 1.01 0.64 -1.05 120.40 131.77 1ujx s VAL 81 Ca 0.03 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.51 1ujx s VAL 81 Cb -0.15 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1ujx s VAL 81 CO -0.06 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.57 1ujx n GLY 82 N 3.96 1.53 0.21 4.51 0.00 0.73 -3.32 105.19 112.82 1ujx n GLY 82 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.79 -4.88 1.61 3.14 -1.26 -4.77 118.33 112.96 1ujx n VAL 83 Ca 0.00 -0.92 -0.26 0.00 -2.96 0.00 0.00 64.34 60.20 1ujx n VAL 83 Cb 0.00 0.31 -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 -1.13 1.52 0.13 1.45 0.74 -1.21 -5.13 119.66 116.03 1ujx s GLN 84 Ca 0.11 -0.73 -0.18 0.00 0.05 0.00 0.00 55.36 54.61 1ujx s GLN 84 Cb 0.10 -1.50 -0.07 0.00 1.10 0.00 0.00 33.01 32.64 1ujx s GLN 84 CO 0.01 0.41 0.60 -2.00 -0.55 0.00 0.00 175.29 173.76 1ujx s GLU 85 N -0.57 4.16 0.13 1.67 2.12 -1.26 -0.26 118.70 124.69 1ujx s GLU 85 Ca 0.07 0.71 0.02 0.00 0.36 0.00 0.00 54.97 56.13 1ujx s GLU 85 Cb -0.08 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1ujx s GLU 85 CO -0.00 0.54 0.15 1.28 -0.54 0.00 0.00 175.26 176.69 1ujx n LEU 86 N 1.25 0.00 -4.14 2.70 4.77 0.53 -4.90 117.00 117.21 1ujx n LEU 86 Ca -0.07 -0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 1ujx n LEU 86 Cb 0.51 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ujx n LEU 86 CO 0.42 -0.45 -0.11 -0.54 -1.33 0.00 0.00 177.39 175.38 1ujx s LYS 87 N -2.58 1.32 -0.75 3.23 1.02 -1.26 -4.29 119.74 116.43 1ujx s LYS 87 Ca 0.11 -1.52 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 1ujx s LYS 87 Cb -0.01 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1ujx s LYS 87 CO 0.07 -0.48 1.60 -1.25 -0.92 0.00 0.00 175.35 174.37 1ujx s PRO 88 N -4.09 2.95 0.00 -1.68 0.04 -1.26 -1.98 135.00 128.98 1ujx s PRO 88 Ca 0.34 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1ujx s PRO 88 Cb 0.05 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1ujx s PRO 88 CO 0.11 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 175.04 1ujx n GLY 89 N 5.87 0.97 3.17 0.56 0.00 -0.66 -5.05 105.19 110.05 1ujx n GLY 89 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.65 0.99 7.94 -0.84 -4.88 117.00 116.56 1ujx n LEU 90 Ca 0.00 -1.49 -0.09 0.00 -1.11 0.00 0.00 56.01 53.32 1ujx n LEU 90 Cb 0.00 -0.67 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 1ujx n LEU 90 CO 0.00 -1.07 0.31 -0.44 -1.11 0.00 0.00 177.39 175.08 1ujx s SER 91 N -4.62 -0.82 0.00 1.96 0.01 -1.26 -2.33 113.70 106.64 1ujx s SER 91 Ca 0.58 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1ujx s SER 91 Cb -0.02 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1ujx s SER 91 CO 0.39 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ujx n GLY 92 N 3.93 4.60 3.01 3.44 0.00 0.34 -4.94 105.19 115.55 1ujx n GLY 92 Ca -0.19 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.62 0.74 -0.07 1.61 0.01 -1.26 0.31 113.70 114.41 1ujx s SER 93 Ca 0.00 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.01 1ujx s SER 93 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1ujx s SER 93 CO 0.00 -0.04 -0.19 -0.76 0.41 0.00 0.00 173.24 172.66 1ujx s LEU 94 N -0.73 2.44 0.27 2.44 1.02 0.50 -4.91 118.68 119.71 1ujx s LEU 94 Ca -0.03 -0.37 0.07 0.00 0.02 0.00 0.00 54.13 53.82 1ujx s LEU 94 Cb -0.05 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 1ujx s LEU 94 CO 0.00 0.26 0.26 -0.44 0.02 0.00 0.00 176.35 176.45 1ujx s SER 95 N -0.21 5.67 -0.37 2.29 0.01 -1.26 -0.71 113.70 119.12 1ujx s SER 95 Ca -0.01 -0.22 -0.31 0.00 1.31 0.00 0.00 55.95 56.72 1ujx s SER 95 Cb -0.13 -1.41 -0.09 0.00 0.21 0.00 0.00 66.02 64.59 1ujx s SER 95 CO 0.03 -0.12 2.28 0.18 0.41 0.00 0.00 173.24 176.02 1ujx n LEU 96 N -1.28 2.42 0.00 2.44 4.77 -1.26 0.42 117.00 124.52 1ujx n LEU 96 Ca -0.07 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1ujx n LEU 96 Cb 0.58 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1ujx n LEU 96 CO 0.43 -0.88 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1ujx n GLY 97 N 6.20 1.73 3.58 -0.72 0.00 0.97 -4.99 105.19 111.96 1ujx n GLY 97 Ca 0.38 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 0.09 0.49 -4.97 1.61 9.92 0.17 -4.33 116.55 119.52 1ujx n ASP 98 Ca 0.00 0.84 -0.21 0.00 -0.53 0.00 0.00 54.79 54.89 1ujx n ASP 98 Cb 0.00 -1.33 -0.00 0.00 -0.64 0.00 0.00 41.12 39.15 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 -1.50 4.24 -0.40 2.53 1.01 -1.26 -2.40 120.40 122.61 1ujx s VAL 99 Ca 0.71 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1ujx s VAL 99 Cb -0.45 -3.51 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1ujx s VAL 99 CO 0.51 -0.26 0.35 -0.22 0.00 0.00 0.00 175.10 175.48 1ujx s LEU 100 N -4.30 0.74 -0.49 3.92 2.96 -0.89 -0.19 118.68 120.43 1ujx s LEU 100 Ca 0.45 -2.45 -0.26 0.00 -0.22 0.00 0.00 54.13 51.65 1ujx s LEU 100 Cb -0.10 -0.01 -0.07 0.00 0.50 0.00 0.00 46.19 46.52 1ujx s LEU 100 CO 0.34 -0.21 2.40 -0.31 -1.32 0.00 0.00 176.35 177.25 1ujx s TYR 101 N 0.64 1.08 0.17 5.38 2.02 -0.21 -2.90 117.35 123.53 1ujx s TYR 101 Ca 0.26 1.55 -0.23 0.00 -0.37 0.00 0.00 57.07 58.27 1ujx s TYR 101 Cb -0.07 -3.59 0.04 0.00 -0.40 0.00 0.00 41.96 37.95 1ujx s TYR 101 CO -0.10 -2.55 1.40 -0.11 -1.57 0.00 0.00 175.55 172.63 1ujx n LEU 102 N 15.84 -0.82 -3.82 -1.29 0.00 -0.86 -3.31 117.00 122.74 1ujx n LEU 102 Ca 0.36 1.61 -0.06 0.00 0.00 0.00 0.00 56.01 57.92 1ujx n LEU 102 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 43.42 43.69 1ujx n LEU 102 CO 0.71 -1.36 0.58 0.54 0.00 0.00 0.00 177.39 177.86 1ujx s VAL 103 N -5.61 0.00 -1.69 1.96 0.11 -1.24 -4.68 120.40 109.26 1ujx s VAL 103 Ca -0.12 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 57.96 1ujx s VAL 103 Cb 0.13 -2.22 0.10 0.00 -1.53 0.00 0.00 36.38 32.86 1ujx s VAL 103 CO 0.60 0.00 0.26 0.59 -3.33 0.00 0.00 175.10 173.22 1ujx n ASN 104 N -0.69 -0.27 -2.27 3.54 5.03 -1.26 0.16 115.26 119.50 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 -1.64 -0.00 0.00 -1.02 0.00 0.00 39.78 37.72 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 -1.94 -0.44 0.60 7.41 0.00 -1.26 -4.81 105.19 104.76 1ujx n GLY 105 Ca -0.14 0.00 -0.05 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 -2.20 0.00 -4.03 0.99 4.77 0.42 -4.87 117.00 112.08 1ujx n LEU 106 Ca 0.00 -0.54 -0.45 0.00 -0.03 0.00 0.00 56.01 55.00 1ujx n LEU 106 Cb 0.44 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1ujx n LEU 106 CO 0.01 -0.08 -0.16 -1.22 -1.33 0.00 0.00 177.39 174.61 1ujx n TYR 107 N -0.19 -1.47 -2.51 -1.77 4.01 -1.26 -2.41 117.16 111.56 1ujx n TYR 107 Ca -0.03 0.13 -0.40 0.00 -0.16 0.00 0.00 57.90 57.44 1ujx n TYR 107 Cb 0.11 -2.84 -0.04 0.00 -0.31 0.00 0.00 39.34 36.25 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 -7.21 4.67 -0.23 -0.72 0.04 -1.26 -2.03 135.00 128.26 1ujx s PRO 108 Ca 0.48 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1ujx s PRO 108 Cb -0.25 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ujx s PRO 108 CO 0.96 0.25 -0.12 -0.51 0.04 0.00 0.00 177.00 177.62 1ujx s LEU 109 N -1.42 2.90 -0.02 -3.56 2.01 -1.14 -4.86 118.68 112.58 1ujx s LEU 109 Ca 0.44 -0.91 -0.28 0.00 0.01 0.00 0.00 54.13 53.39 1ujx s LEU 109 Cb -0.31 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.28 1ujx s LEU 109 CO 0.40 -0.10 0.87 -0.89 1.01 0.00 0.00 176.35 177.65 1ujx s THR 110 N 1.26 4.94 -0.07 5.49 2.01 -1.26 -2.09 115.64 125.92 1ujx s THR 110 Ca -0.00 1.83 -0.23 0.00 0.31 0.00 0.00 61.69 63.60 1ujx s THR 110 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1ujx s THR 110 CO -0.07 0.19 0.67 -0.22 -0.69 0.00 0.00 174.62 174.50 1ujx s LEU 111 N 0.93 4.31 0.40 4.42 2.96 -1.01 -0.59 118.68 130.10 1ujx s LEU 111 Ca 0.47 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 1ujx s LEU 111 Cb -0.20 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1ujx s LEU 111 CO 0.24 -0.09 0.16 -0.13 -1.32 0.00 0.00 176.35 175.21 1ujx s ARG 112 N 0.74 1.92 0.02 1.98 1.81 -0.07 -0.02 118.95 125.34 1ujx s ARG 112 Ca 0.36 -2.17 0.02 0.00 -1.72 0.00 0.00 55.73 52.22 1ujx s ARG 112 Cb -0.17 -0.42 -0.01 0.00 -0.45 0.00 0.00 34.95 33.89 1ujx s ARG 112 CO 0.17 -0.53 -0.08 -0.46 -0.68 0.00 0.00 175.30 173.72 1ujx s TRP 113 N -3.24 0.66 0.01 -0.53 -0.11 -1.26 -2.50 118.94 111.96 1ujx s TRP 113 Ca 0.26 -0.30 -0.20 0.00 1.22 0.00 0.00 56.10 57.08 1ujx s TRP 113 Cb 0.02 -0.40 -0.06 0.00 -1.50 0.00 0.00 33.47 31.53 1ujx s TRP 113 CO 0.17 -0.04 0.58 0.45 -4.62 0.00 0.00 176.95 173.50 1ujx s SER 114 N -0.87 6.98 0.00 5.86 0.15 -0.24 -4.97 113.70 120.61 1ujx s SER 114 Ca -0.03 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1ujx s SER 114 Cb -0.06 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ujx s SER 114 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1ujx n GLY 115 N 2.33 4.62 3.22 9.45 0.00 -1.26 -4.15 105.19 119.40 1ujx n GLY 115 Ca -0.08 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1ujx n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 116 N 0.00 2.26 -3.24 1.61 -0.04 -1.26 -4.72 135.00 129.61 1ujx n PRO 116 Ca 0.00 -2.51 -0.03 0.00 -0.04 0.00 0.00 63.50 60.92 1ujx n PRO 116 Cb 0.00 -3.33 -0.03 0.00 -0.04 0.00 0.00 33.50 30.09 1ujx n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujx s SER 117 N 4.69 -0.48 0.20 3.54 0.15 -1.26 -5.01 113.70 115.53 1ujx s SER 117 Ca 0.56 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1ujx s SER 117 Cb 0.09 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1ujx s SER 117 CO 0.06 -0.33 0.00 -1.20 1.20 0.00 0.00 173.24 172.97 1ujx n SER 118 N 5.38 -0.08 0.00 5.45 7.64 -1.26 -5.11 113.62 125.63 1ujx n SER 118 Ca 0.02 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1ujx n SER 118 Cb 0.51 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64