#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 2.46 -0.30 1.61 0.01 -1.26 -4.85 113.70 111.37 1ujx s SER 2 Ca 0.00 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 1ujx s SER 2 Cb 0.00 -0.86 0.18 0.00 0.21 0.00 0.00 66.02 65.54 1ujx s SER 2 CO 0.00 -0.15 1.11 -0.94 0.41 0.00 0.00 173.24 173.67 1ujx s SER 3 N 1.68 -0.35 0.00 2.44 1.04 -1.26 -5.12 113.70 112.13 1ujx s SER 3 Ca 0.03 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ujx s SER 3 Cb -0.14 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.34 1ujx s SER 3 CO -0.08 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1ujx n GLY 4 N 5.07 0.93 0.68 7.32 0.00 -1.26 -4.60 105.19 113.33 1ujx n GLY 4 Ca -0.08 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 5 N 0.00 1.34 -3.33 1.61 2.88 -1.26 -5.08 113.62 109.78 1ujx n SER 5 Ca 0.00 0.20 0.02 0.00 -1.33 0.00 0.00 58.87 57.76 1ujx n SER 5 Cb 0.00 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1ujx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujx s SER 6 N -5.97 -0.49 0.00 -3.46 0.01 -1.26 -5.15 113.70 97.38 1ujx s SER 6 Ca -0.12 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1ujx s SER 6 Cb 0.02 1.54 0.00 0.00 0.21 0.00 0.00 66.02 67.79 1ujx s SER 6 CO 0.17 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ujx n GLY 7 N 4.97 1.58 3.26 3.44 0.00 -1.26 -5.11 105.19 112.07 1ujx n GLY 7 Ca -0.08 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ujx s MET 8 N 0.00 2.94 -0.41 1.61 1.75 -1.26 -4.86 119.30 119.06 1ujx s MET 8 Ca 0.00 -2.04 0.06 0.00 -1.25 0.00 0.00 55.69 52.46 1ujx s MET 8 Cb 0.00 -4.14 0.17 0.00 2.84 0.00 0.00 34.83 33.70 1ujx s MET 8 CO 0.00 -1.26 0.53 0.45 -0.65 0.00 0.00 175.02 174.09 1ujx s SER 9 N 2.54 -0.27 -0.29 1.11 0.15 -1.26 -5.05 113.70 110.63 1ujx s SER 9 Ca 0.10 -1.42 -0.15 0.00 0.70 0.00 0.00 55.95 55.18 1ujx s SER 9 Cb -0.22 1.24 0.10 0.00 -1.71 0.00 0.00 66.02 65.43 1ujx s SER 9 CO -0.02 -0.18 0.72 0.00 1.20 0.00 0.00 173.24 174.95 1ujx s GLN 10 N 1.39 0.63 0.07 5.44 -2.07 -1.26 -5.11 119.66 118.75 1ujx s GLN 10 Ca 0.20 1.22 0.05 0.00 -1.82 0.00 0.00 55.36 55.01 1ujx s GLN 10 Cb -0.07 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1ujx s GLN 10 CO -0.06 -0.15 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.19 1ujx s LEU 11 N 1.94 3.23 0.00 2.60 1.43 -1.26 -4.94 118.68 121.68 1ujx s LEU 11 Ca -0.09 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1ujx s LEU 11 Cb -0.07 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ujx s LEU 11 CO -0.19 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1ujx n GLY 12 N 0.90 -0.22 3.40 -3.19 0.00 -1.26 -5.16 105.19 99.67 1ujx n GLY 12 Ca -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.63 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 13 N 0.00 -0.96 -0.15 1.61 1.04 -1.26 -5.02 113.70 108.96 1ujx s SER 13 Ca 0.00 1.02 0.18 0.00 0.48 0.00 0.00 55.95 57.63 1ujx s SER 13 Cb 0.00 1.97 0.35 0.00 0.10 0.00 0.00 66.02 68.44 1ujx s SER 13 CO 0.00 -0.18 1.22 0.54 0.98 0.00 0.00 173.24 175.80 1ujx n ARG 14 N 5.31 1.65 0.00 4.02 3.00 -1.26 -4.98 116.66 124.41 1ujx n ARG 14 Ca -0.08 -2.68 0.00 0.00 -0.01 0.00 0.00 57.85 55.08 1ujx n ARG 14 Cb 0.51 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1ujx n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujx n GLY 15 N -1.22 2.69 3.87 -0.13 0.00 -1.26 -4.82 105.19 104.32 1ujx n GLY 15 Ca 0.18 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 3.58 0.47 1.61 6.06 -1.25 -4.75 118.95 123.67 1ujx s ARG 16 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 55.73 53.10 1ujx s ARG 16 Cb 0.00 -3.17 -0.07 0.00 0.06 0.00 0.00 34.95 31.78 1ujx s ARG 16 CO 0.00 0.72 0.88 -0.51 -2.50 0.00 0.00 175.30 173.90 1ujx s LEU 17 N -1.25 3.69 0.16 -0.88 1.43 -1.26 -0.74 118.68 119.83 1ujx s LEU 17 Ca 0.20 1.33 -0.25 0.00 -1.03 0.00 0.00 54.13 54.39 1ujx s LEU 17 Cb -0.13 -4.26 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1ujx s LEU 17 CO 0.10 -0.52 0.98 -1.66 0.23 0.00 0.00 176.35 175.47 1ujx s TRP 18 N -2.56 -0.09 0.01 0.29 1.48 -0.70 -2.50 118.94 114.86 1ujx s TRP 18 Ca 0.55 -0.23 0.03 0.00 -1.06 0.00 0.00 56.10 55.39 1ujx s TRP 18 Cb -0.10 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 32.82 1ujx s TRP 18 CO 0.34 -0.84 -0.05 -0.51 -4.06 0.00 0.00 176.95 171.83 1ujx s LEU 19 N -3.01 3.26 -0.29 -4.66 1.43 -1.01 -0.07 118.68 114.33 1ujx s LEU 19 Ca 0.14 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1ujx s LEU 19 Cb -0.01 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1ujx s LEU 19 CO 0.03 0.27 -0.01 -1.58 0.23 0.00 0.00 176.35 175.29 1ujx s GLN 20 N -1.52 2.54 0.29 1.70 0.74 0.10 -3.79 119.66 119.73 1ujx s GLN 20 Ca 0.18 -1.19 -0.16 0.00 0.05 0.00 0.00 55.36 54.24 1ujx s GLN 20 Cb -0.11 -3.15 -0.09 0.00 1.10 0.00 0.00 33.01 30.76 1ujx s GLN 20 CO 0.09 -0.57 0.73 -1.54 -0.55 0.00 0.00 175.29 173.45 1ujx s SER 21 N 1.28 6.85 0.89 6.67 1.04 -1.26 -3.50 113.70 125.67 1ujx s SER 21 Ca -0.04 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.59 1ujx s SER 21 Cb -0.19 -2.39 0.13 0.00 0.10 0.00 0.00 66.02 63.67 1ujx s SER 21 CO -0.02 -0.14 1.13 -2.16 0.98 0.00 0.00 173.24 173.04 1ujx s PRO 22 N -2.69 1.30 0.57 4.02 0.04 -1.26 -4.88 135.00 132.10 1ujx s PRO 22 Ca 0.51 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 1ujx s PRO 22 Cb -0.12 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1ujx s PRO 22 CO 0.18 -2.10 -0.24 2.41 0.04 0.00 0.00 177.00 177.30 1ujx n THR 23 N -3.71 0.00 -3.71 1.26 -1.04 -1.26 -2.54 114.28 103.28 1ujx n THR 23 Ca 0.07 -0.48 -0.26 0.00 -2.04 0.00 0.00 64.05 61.34 1ujx n THR 23 Cb 0.59 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.13 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 2.58 -0.61 1.35 3.41 0.00 -1.26 -4.98 105.19 105.67 1ujx n GLY 24 Ca 0.06 0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.68 3.41 3.78 -0.02 0.00 -1.05 -5.17 105.19 104.46 1ujx n GLY 25 Ca -0.21 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.52 0.50 0.99 1.61 0.04 -1.26 -5.03 135.00 129.33 1ujx s PRO 26 Ca 0.16 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 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 0.11 -2.58 1.18 -1.25 0.04 0.00 0.00 177.00 174.50 1ujx s PRO 27 N -5.45 0.48 -0.55 0.56 0.04 -1.26 -4.59 135.00 124.24 1ujx s PRO 27 Ca 0.68 0.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 1ujx s PRO 27 Cb -0.11 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 27 CO 0.54 -2.60 1.49 -1.25 0.04 0.00 0.00 177.00 175.22 1ujx s PRO 28 N -5.46 3.24 -0.00 0.56 0.04 -1.26 -4.79 135.00 127.33 1ujx s PRO 28 Ca 0.68 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1ujx s PRO 28 Cb -0.11 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1ujx s PRO 28 CO 0.54 -2.01 1.03 0.42 0.04 0.00 0.00 177.00 177.02 1ujx s ILE 29 N 6.41 4.70 -0.34 0.56 1.09 -1.25 -4.91 121.20 127.47 1ujx s ILE 29 Ca 0.56 1.94 -0.14 0.00 -1.10 0.00 0.00 60.65 61.91 1ujx s ILE 29 Cb -0.12 -4.24 -0.02 0.00 -1.06 0.00 0.00 42.46 37.02 1ujx s ILE 29 CO 0.25 0.13 0.29 -0.36 -0.10 0.00 0.00 174.94 175.16 1ujx s PHE 30 N 1.17 3.22 0.91 3.97 0.40 -1.26 -2.39 117.98 123.99 1ujx s PHE 30 Ca 0.53 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.62 1ujx s PHE 30 Cb -0.22 -2.56 0.14 0.00 0.51 0.00 0.00 43.02 40.88 1ujx s PHE 30 CO 0.27 -0.39 1.09 -0.51 0.70 0.00 0.00 175.22 176.38 1ujx s LEU 31 N 1.85 2.25 0.99 -0.37 1.43 -1.04 -5.02 118.68 118.77 1ujx s LEU 31 Ca 0.09 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.59 1ujx s LEU 31 Cb -0.17 -3.96 0.19 0.00 0.03 0.00 0.00 46.19 42.28 1ujx s LEU 31 CO 0.11 -2.74 1.17 -2.16 0.23 0.00 0.00 176.35 172.97 1ujx s PRO 32 N -4.88 0.47 0.00 1.29 0.04 -1.26 -4.76 135.00 125.90 1ujx s PRO 32 Ca 0.64 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1ujx s PRO 32 Cb -0.19 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ujx s PRO 32 CO 0.57 -2.60 0.00 -1.13 0.04 0.00 0.00 177.00 173.88 1ujx n SER 33 N -4.00 4.00 -0.32 6.66 3.41 -1.26 -4.28 113.62 117.83 1ujx n SER 33 Ca 0.10 0.00 0.34 0.00 -0.26 0.00 0.00 58.87 59.05 1ujx n SER 33 Cb 0.59 0.09 0.73 0.00 -0.26 0.00 0.00 64.21 65.36 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 0.04 0.00 4.04 3.58 -1.95 -3.43 116.42 118.69 1ujx h ASP 34 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ujx h ASP 34 Cb 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1ujx h ASP 34 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 1ujx n GLY 35 N -1.74 0.41 3.14 -0.78 0.00 -1.26 -5.13 105.19 99.83 1ujx n GLY 35 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.61 -4.01 1.61 3.00 -1.26 -4.80 117.38 110.31 1ujx n GLN 36 Ca 0.00 -0.47 -0.30 0.00 -0.01 0.00 0.00 57.00 56.22 1ujx n GLN 36 Cb 0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 30.24 28.56 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 -2.14 1.87 -0.46 -1.58 0.00 -1.26 -4.19 121.76 114.00 1ujx s ALA 37 Ca 0.46 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 51.25 1ujx s ALA 37 Cb -0.06 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.99 1ujx s ALA 37 CO 0.54 -0.47 0.69 -1.17 0.00 0.00 0.00 175.76 175.36 1ujx s LEU 38 N 1.48 4.47 0.07 0.00 2.96 0.40 -4.86 118.68 123.20 1ujx s LEU 38 Ca 0.04 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 1ujx s LEU 38 Cb -0.13 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 1ujx s LEU 38 CO -0.10 -0.85 0.95 -0.69 -1.32 0.00 0.00 176.35 174.33 1ujx s VAL 39 N 2.98 4.62 0.22 1.68 1.01 -1.26 -1.29 120.40 128.36 1ujx s VAL 39 Ca 0.24 2.03 0.10 0.00 0.00 0.00 0.00 61.98 64.35 1ujx s VAL 39 Cb -0.14 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1ujx s VAL 39 CO 0.19 0.28 -0.13 -0.76 0.00 0.00 0.00 175.10 174.68 1ujx s LEU 40 N 0.28 2.82 0.00 3.92 1.43 -1.09 -4.97 118.68 121.07 1ujx s LEU 40 Ca 0.48 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1ujx s LEU 40 Cb -0.22 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1ujx s LEU 40 CO 0.29 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1ujx n GLY 41 N -0.26 -0.57 3.62 -3.19 0.00 -1.24 -2.34 105.19 101.21 1ujx n GLY 41 Ca -0.09 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 1.39 0.00 1.61 1.74 -1.25 -4.09 116.66 116.07 1ujx n ARG 42 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1ujx n ARG 42 Cb 0.00 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 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 1.14 0.55 0.00 -0.13 0.00 -0.42 -4.56 105.19 101.78 1ujx n GLY 43 Ca 0.09 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.19 0.51 0.42 1.61 -0.04 -1.26 -1.23 135.00 134.83 1ujx n PRO 44 Ca 0.00 0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1ujx n PRO 44 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -1.05 -2.54 1.53 -0.00 -1.85 -3.31 115.31 108.09 1ujx h LEU 45 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1ujx h LEU 45 Cb 0.12 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 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 -5.16 0.77 -1.48 0.22 -2.24 -1.24 -4.86 114.28 100.28 1ujx n THR 46 Ca -0.14 -0.88 -0.16 0.00 -2.27 0.00 0.00 64.05 60.60 1ujx n THR 46 Cb 0.45 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.08 -1.11 -2.89 -0.78 1.13 -0.36 -4.64 117.38 108.81 1ujx n GLN 47 Ca 0.05 1.06 -0.40 0.00 -1.94 0.00 0.00 57.00 55.76 1ujx n GLN 47 Cb 0.29 -5.24 -0.05 0.00 0.11 0.00 0.00 30.24 25.36 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 4.70 -0.13 5.09 1.01 -1.10 -4.90 120.40 122.48 1ujx s VAL 48 Ca 0.00 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.80 1ujx s VAL 48 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1ujx s VAL 48 CO 0.00 0.32 0.13 0.35 0.00 0.00 0.00 175.10 175.90 1ujx n THR 49 N 2.97 0.00 -1.66 3.92 -2.24 -1.26 -1.30 114.28 114.72 1ujx n THR 49 Ca -0.00 -0.35 -0.48 0.00 -2.27 0.00 0.00 64.05 60.95 1ujx n THR 49 Cb 0.50 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 1ujx n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ujx n ASP 50 N -1.19 2.80 -0.07 3.42 2.03 -1.26 -4.86 116.55 117.41 1ujx n ASP 50 Ca 0.00 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 56.30 1ujx n ASP 50 Cb 0.06 -1.35 -0.02 0.00 -0.72 0.00 0.00 41.12 39.09 1ujx n ASP 50 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ujx h ARG 51 N 6.19 0.30 -1.02 -0.67 3.08 -2.04 -0.65 114.38 119.57 1ujx h ARG 51 Ca -0.46 -0.02 0.29 0.00 0.07 0.00 0.00 59.98 59.87 1ujx h ARG 51 Cb 1.28 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 1ujx h ARG 51 CO 0.88 0.20 0.89 0.87 -1.07 0.00 0.00 179.97 181.74 1ujx h LYS 52 N 0.31 0.00 -6.46 0.04 6.56 -2.03 -3.34 116.57 111.64 1ujx h LYS 52 Ca 0.10 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.13 1ujx h LYS 52 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.60 1ujx h LYS 52 CO -0.05 0.00 0.89 0.00 -2.06 0.00 0.00 179.45 178.23 1ujx s SER 54 N 2.09 6.80 0.44 0.00 0.15 -1.26 -3.87 113.70 118.06 1ujx s SER 54 Ca 0.48 0.95 0.36 0.00 0.70 0.00 0.00 55.95 58.43 1ujx s SER 54 Cb -0.11 -2.25 1.46 0.00 -1.71 0.00 0.00 66.02 63.41 1ujx s SER 54 CO 0.22 0.30 1.45 0.54 1.20 0.00 0.00 173.24 176.96 1ujx n ARG 55 N 1.98 -0.02 -2.94 5.44 1.74 -1.26 0.79 116.66 122.39 1ujx n ARG 55 Ca -0.13 1.12 -0.25 0.00 -0.77 0.00 0.00 57.85 57.82 1ujx n ARG 55 Cb 0.52 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 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 -4.32 3.73 -0.03 0.55 4.13 -1.26 -3.67 115.26 114.39 1ujx n ASN 56 Ca 0.39 -3.54 -0.12 0.00 1.68 0.00 0.00 54.58 52.99 1ujx n ASN 56 Cb 1.60 -0.56 -0.07 0.00 -1.54 0.00 0.00 39.78 39.21 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1ujx h GLN 57 N 2.95 0.18 -4.70 3.52 5.75 0.78 -3.11 115.11 120.49 1ujx h GLN 57 Ca 0.13 -0.05 -0.29 0.00 -0.15 0.00 0.00 58.65 58.29 1ujx h GLN 57 Cb 0.64 -0.02 -0.15 0.00 1.07 0.00 0.00 27.48 29.03 1ujx h GLN 57 CO 0.75 0.41 -0.61 0.14 -2.65 0.00 0.00 178.83 176.88 1ujx s VAL 58 N -5.05 0.16 -0.24 2.39 -7.23 -1.22 0.28 120.40 109.49 1ujx s VAL 58 Ca -0.14 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1ujx s VAL 58 Cb 0.05 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.52 1ujx s VAL 58 CO 0.70 0.00 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.79 1ujx s GLU 59 N -4.08 1.21 0.01 4.82 2.12 0.24 -2.67 118.70 120.34 1ujx s GLU 59 Ca 0.39 -0.88 -0.15 0.00 0.36 0.00 0.00 54.97 54.68 1ujx s GLU 59 Cb 0.07 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 32.00 1ujx s GLU 59 CO 0.13 -0.68 0.43 -0.51 -0.54 0.00 0.00 175.26 174.09 1ujx s LEU 60 N 1.53 4.48 -0.06 2.70 1.02 -0.41 -1.89 118.68 126.06 1ujx s LEU 60 Ca -0.01 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.14 1ujx s LEU 60 Cb -0.18 -2.63 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1ujx s LEU 60 CO -0.09 0.32 -0.03 -0.63 0.02 0.00 0.00 176.35 175.93 1ujx s ILE 61 N -1.06 0.53 -0.05 -0.59 1.01 -0.36 0.15 121.20 120.83 1ujx s ILE 61 Ca 0.24 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1ujx s ILE 61 Cb -0.17 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1ujx s ILE 61 CO 0.14 0.25 1.19 0.00 0.00 0.00 0.00 174.94 176.52 1ujx s ALA 62 N 1.30 3.47 -0.55 9.38 0.00 -1.26 -1.92 121.76 132.19 1ujx s ALA 62 Ca -0.05 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1ujx s ALA 62 Cb -0.14 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.63 1ujx s ALA 62 CO -0.02 -0.71 0.33 -0.51 0.00 0.00 0.00 175.76 174.84 1ujx s ASP 63 N 1.41 4.12 0.00 0.00 1.01 0.42 -4.65 116.67 118.99 1ujx s ASP 63 Ca 0.56 -3.16 0.23 0.00 0.71 0.00 0.00 52.55 50.88 1ujx s ASP 63 Cb -0.25 -1.42 1.26 0.00 1.01 0.00 0.00 42.92 43.53 1ujx s ASP 63 CO 0.23 -0.19 1.76 -0.81 0.21 0.00 0.00 175.17 176.37 1ujx n PRO 64 N 2.87 0.50 0.05 8.23 -0.04 -1.26 -0.28 135.00 145.07 1ujx n PRO 64 Ca 0.12 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 1ujx n PRO 64 Cb 0.34 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.09 -0.41 0.54 3.07 -1.91 -3.33 114.58 112.45 1ujx h GLU 65 Ca 0.00 0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1ujx h GLU 65 Cb 0.12 0.02 -0.34 0.00 -0.84 0.00 0.00 28.75 27.71 1ujx h GLU 65 CO 0.00 0.16 -0.90 0.43 -1.40 0.00 0.00 179.01 177.30 1ujx n SER 66 N -5.02 2.72 -4.14 1.42 7.64 -1.21 -4.98 113.62 110.05 1ujx n SER 66 Ca -0.08 -2.95 -0.37 0.00 1.01 0.00 0.00 58.87 56.48 1ujx n SER 66 Cb 0.16 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.56 -0.89 -4.43 1.43 3.00 -0.86 -4.93 116.66 109.40 1ujx n ARG 67 Ca 0.22 0.14 -0.23 0.00 -0.01 0.00 0.00 57.85 57.97 1ujx n ARG 67 Cb 0.90 -3.25 -0.08 0.00 0.00 0.00 0.00 32.46 30.02 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 -3.91 0.44 -0.16 0.55 -4.23 0.62 -4.05 115.64 104.89 1ujx s THR 68 Ca 0.25 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.68 1ujx s THR 68 Cb -0.13 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1ujx s THR 68 CO 0.97 0.00 0.36 -0.69 -0.54 0.00 0.00 174.62 174.72 1ujx s VAL 69 N -3.33 -0.25 0.23 2.29 1.01 -0.55 -0.43 120.40 119.36 1ujx s VAL 69 Ca 0.29 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 1ujx s VAL 69 Cb 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 1ujx s VAL 69 CO 0.18 0.06 0.71 0.00 0.00 0.00 0.00 175.10 176.05 1ujx s ALA 70 N 1.84 3.41 -0.01 5.51 0.00 -0.81 0.15 121.76 131.86 1ujx s ALA 70 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1ujx s ALA 70 Cb -0.10 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1ujx s ALA 70 CO -0.11 0.34 -0.12 0.08 0.00 0.00 0.00 175.76 175.95 1ujx s VAL 71 N -1.58 0.95 -0.04 0.00 1.01 0.21 -1.23 120.40 119.72 1ujx s VAL 71 Ca 0.44 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1ujx s VAL 71 Cb -0.16 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1ujx s VAL 71 CO 0.20 0.27 0.06 -0.75 0.00 0.00 0.00 175.10 174.89 1ujx s LYS 72 N -0.17 -0.08 -0.36 2.72 2.20 -0.79 0.26 119.74 123.51 1ujx s LYS 72 Ca 0.03 0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 1ujx s LYS 72 Cb -0.06 -0.50 0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1ujx s LYS 72 CO -0.00 -0.32 1.19 -1.14 -0.36 0.00 0.00 175.35 174.72 1ujx s GLN 73 N 2.12 3.88 0.00 4.03 0.74 -0.94 0.80 119.66 130.30 1ujx s GLN 73 Ca 0.04 0.98 0.14 0.00 0.05 0.00 0.00 55.36 56.57 1ujx s GLN 73 Cb -0.12 -3.85 0.21 0.00 1.10 0.00 0.00 33.01 30.34 1ujx s GLN 73 CO -0.03 -1.16 1.08 1.28 -0.55 0.00 0.00 175.29 175.91 1ujx n LEU 74 N 7.54 2.53 0.00 3.68 4.77 0.14 -1.79 117.00 133.87 1ujx n LEU 74 Ca 0.13 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1ujx n LEU 74 Cb 0.48 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ujx n LEU 74 CO 0.65 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1ujx n GLY 75 N 0.82 1.71 0.80 -0.72 0.00 0.07 -4.77 105.19 103.10 1ujx n GLY 75 Ca 0.11 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 -1.91 1.61 3.14 -1.26 -4.70 118.33 115.21 1ujx n VAL 76 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1ujx n VAL 76 Cb 0.00 -1.28 -0.01 0.00 -1.06 0.00 0.00 33.84 31.50 1ujx n VAL 76 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1ujx s ASN 77 N -4.78 6.49 -0.06 6.55 0.01 -1.26 -4.42 114.94 117.47 1ujx s ASN 77 Ca 0.00 2.92 -0.30 0.00 -0.71 0.00 0.00 52.86 54.78 1ujx s ASN 77 Cb 0.00 -2.66 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 1ujx s ASN 77 CO 0.00 -0.76 1.22 -2.16 -1.51 0.00 0.00 177.10 173.89 1ujx s PRO 78 N -1.94 4.33 0.35 -0.60 0.04 -1.26 -4.77 135.00 131.15 1ujx s PRO 78 Ca 0.52 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1ujx s PRO 78 Cb -0.44 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 1ujx s PRO 78 CO 0.59 -0.48 0.58 -1.12 0.04 0.00 0.00 177.00 176.61 1ujx s SER 79 N 1.56 6.31 -0.17 6.66 0.01 -1.26 -4.71 113.70 122.10 1ujx s SER 79 Ca 0.56 0.55 -0.00 0.00 1.31 0.00 0.00 55.95 58.38 1ujx s SER 79 Cb -0.25 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1ujx s SER 79 CO 0.22 -0.31 -0.16 -0.89 0.41 0.00 0.00 173.24 172.51 1ujx s THR 80 N -2.33 2.53 -0.81 1.44 2.01 -1.22 0.21 115.64 117.47 1ujx s THR 80 Ca 0.41 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1ujx s THR 80 Cb -0.10 -2.08 0.21 0.00 0.01 0.00 0.00 72.50 70.54 1ujx s THR 80 CO 0.36 0.51 0.72 -0.69 -0.69 0.00 0.00 174.62 174.83 1ujx s VAL 81 N 1.08 5.18 0.00 3.82 1.01 0.95 -1.65 120.40 130.80 1ujx s VAL 81 Ca -0.00 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.27 1ujx s VAL 81 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1ujx s VAL 81 CO -0.05 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 174.65 1ujx n GLY 82 N 3.70 1.85 0.31 4.51 0.00 0.57 -2.99 105.19 113.14 1ujx n GLY 82 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 0.80 -4.53 1.61 3.14 -1.26 -4.80 118.33 113.29 1ujx n VAL 83 Ca 0.00 -0.96 -0.25 0.00 -2.96 0.00 0.00 64.34 60.17 1ujx n VAL 83 Cb 0.00 0.19 -0.14 0.00 -1.06 0.00 0.00 33.84 32.83 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 -1.22 1.29 -0.04 1.45 0.74 -1.16 -5.13 119.66 115.58 1ujx s GLN 84 Ca 0.14 -0.99 -0.13 0.00 0.05 0.00 0.00 55.36 54.43 1ujx s GLN 84 Cb 0.12 -1.44 -0.05 0.00 1.10 0.00 0.00 33.01 32.74 1ujx s GLN 84 CO 0.01 0.36 0.33 -2.00 -0.55 0.00 0.00 175.29 173.44 1ujx s GLU 85 N -1.37 3.82 0.17 1.67 2.56 -1.26 -0.03 118.70 124.26 1ujx s GLU 85 Ca 0.07 0.25 0.03 0.00 0.00 0.00 0.00 54.97 55.31 1ujx s GLU 85 Cb -0.09 -3.23 0.03 0.00 2.00 0.00 0.00 34.13 32.84 1ujx s GLU 85 CO 0.02 0.68 0.21 1.28 -0.56 0.00 0.00 175.26 176.89 1ujx n LEU 86 N 2.00 0.00 -4.14 2.70 4.77 0.56 -4.91 117.00 117.98 1ujx n LEU 86 Ca -0.15 -0.78 -0.11 0.00 -0.03 0.00 0.00 56.01 54.93 1ujx n LEU 86 Cb 0.53 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1ujx n LEU 86 CO 0.36 -0.51 -0.10 -0.54 -1.33 0.00 0.00 177.39 175.27 1ujx s LYS 87 N -2.76 1.34 -0.79 3.23 1.02 -1.26 -4.27 119.74 116.25 1ujx s LYS 87 Ca 0.16 -1.54 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 1ujx s LYS 87 Cb -0.01 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1ujx s LYS 87 CO 0.10 -0.48 1.61 -1.25 -0.92 0.00 0.00 175.35 174.41 1ujx s PRO 88 N -4.06 2.98 0.00 -1.68 0.04 -1.26 -1.97 135.00 129.05 1ujx s PRO 88 Ca 0.34 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1ujx s PRO 88 Cb 0.04 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1ujx s PRO 88 CO 0.12 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1ujx n GLY 89 N 6.04 0.94 3.26 0.56 0.00 -0.74 -5.04 105.19 110.21 1ujx n GLY 89 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.60 0.99 7.94 -0.83 -4.86 117.00 116.64 1ujx n LEU 90 Ca 0.00 -1.46 -0.15 0.00 -1.11 0.00 0.00 56.01 53.28 1ujx n LEU 90 Cb 0.00 -0.73 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 1ujx n LEU 90 CO 0.00 -1.14 0.41 -0.44 -1.11 0.00 0.00 177.39 175.11 1ujx s SER 91 N -4.82 -0.70 0.00 1.96 0.01 -1.26 -2.21 113.70 106.68 1ujx s SER 91 Ca 0.60 1.16 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1ujx s SER 91 Cb -0.02 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1ujx s SER 91 CO 0.41 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1ujx n GLY 92 N 2.08 3.89 3.20 3.44 0.00 0.14 -4.95 105.19 112.98 1ujx n GLY 92 Ca -0.16 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 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 1.68 -0.09 1.61 0.01 -1.26 0.65 113.70 115.75 1ujx s SER 93 Ca 0.00 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1ujx s SER 93 Cb 0.00 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.21 1ujx s SER 93 CO 0.00 -0.18 -0.18 -0.76 0.41 0.00 0.00 173.24 172.53 1ujx s LEU 94 N -2.29 1.85 0.10 2.44 1.02 0.41 -4.92 118.68 117.29 1ujx s LEU 94 Ca 0.05 -0.43 -0.05 0.00 0.02 0.00 0.00 54.13 53.72 1ujx s LEU 94 Cb -0.05 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.98 1ujx s LEU 94 CO 0.02 0.09 0.34 -0.44 0.02 0.00 0.00 176.35 176.37 1ujx s SER 95 N 0.57 6.49 -0.44 2.29 0.01 -1.26 -1.49 113.70 119.87 1ujx s SER 95 Ca -0.15 0.56 -0.41 0.00 1.31 0.00 0.00 55.95 57.26 1ujx s SER 95 Cb -0.17 -2.08 -0.16 0.00 0.21 0.00 0.00 66.02 63.82 1ujx s SER 95 CO 0.05 0.11 2.14 0.18 0.41 0.00 0.00 173.24 176.13 1ujx n LEU 96 N 0.37 1.26 0.00 2.44 4.77 -1.26 0.16 117.00 124.74 1ujx n LEU 96 Ca -0.05 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1ujx n LEU 96 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1ujx n LEU 96 CO 0.47 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1ujx n GLY 97 N 7.03 3.03 3.42 -0.72 0.00 0.17 -4.99 105.19 113.13 1ujx n GLY 97 Ca 0.49 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 0.38 -1.56 -4.96 1.61 9.92 0.42 -4.24 116.55 118.12 1ujx n ASP 98 Ca 0.00 0.77 -0.22 0.00 -0.53 0.00 0.00 54.79 54.81 1ujx n ASP 98 Cb 0.00 -1.08 -0.01 0.00 -0.64 0.00 0.00 41.12 39.38 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 5.03 -0.39 2.53 1.01 -1.26 -2.57 120.40 123.04 1ujx s VAL 99 Ca 0.64 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1ujx s VAL 99 Cb -0.51 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.23 1ujx s VAL 99 CO 0.58 -0.41 0.34 -0.22 0.00 0.00 0.00 175.10 175.39 1ujx s LEU 100 N -4.17 0.78 -0.54 3.92 2.96 -1.20 -0.32 118.68 120.12 1ujx s LEU 100 Ca 0.38 -2.44 -0.26 0.00 -0.22 0.00 0.00 54.13 51.59 1ujx s LEU 100 Cb -0.09 -0.06 -0.06 0.00 0.50 0.00 0.00 46.19 46.47 1ujx s LEU 100 CO 0.33 -0.22 2.28 -0.31 -1.32 0.00 0.00 176.35 177.10 1ujx s TYR 101 N 0.67 1.22 0.14 5.38 2.02 -0.66 -2.63 117.35 123.50 1ujx s TYR 101 Ca 0.25 1.40 -0.26 0.00 -0.37 0.00 0.00 57.07 58.09 1ujx s TYR 101 Cb -0.08 -3.69 -0.05 0.00 -0.40 0.00 0.00 41.96 37.73 1ujx s TYR 101 CO -0.09 -2.41 1.32 -0.11 -1.57 0.00 0.00 175.55 172.69 1ujx n LEU 102 N 15.35 -0.90 -3.82 -1.29 0.00 -0.84 -3.43 117.00 122.08 1ujx n LEU 102 Ca 0.34 1.53 -0.08 0.00 0.00 0.00 0.00 56.01 57.79 1ujx n LEU 102 Cb 0.53 -0.20 0.02 0.00 0.00 0.00 0.00 43.42 43.77 1ujx n LEU 102 CO 0.70 -1.25 0.57 0.54 0.00 0.00 0.00 177.39 177.95 1ujx s VAL 103 N -5.44 0.00 -0.59 1.96 0.11 -1.23 -4.65 120.40 110.57 1ujx s VAL 103 Ca -0.10 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 57.96 1ujx s VAL 103 Cb 0.10 -2.82 0.05 0.00 -1.53 0.00 0.00 36.38 32.18 1ujx s VAL 103 CO 0.53 0.00 0.15 0.59 -3.33 0.00 0.00 175.10 173.05 1ujx n ASN 104 N -1.32 -1.79 -1.37 3.54 3.02 -1.26 0.19 115.26 116.28 1ujx n ASN 104 Ca -0.07 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 1ujx n ASN 104 Cb 0.60 -1.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.12 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujx n GLY 105 N -0.70 0.90 0.37 7.41 0.00 -1.26 -4.87 105.19 107.03 1ujx n GLY 105 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.75 0.00 -3.73 0.99 4.77 0.52 -4.86 117.00 112.94 1ujx n LEU 106 Ca -0.10 -0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.22 1ujx n LEU 106 Cb 0.35 0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1ujx n LEU 106 CO 0.16 -0.05 -0.08 -1.22 -1.33 0.00 0.00 177.39 174.86 1ujx n TYR 107 N -0.14 -1.86 -2.47 -1.77 4.01 -1.26 -2.33 117.16 111.34 1ujx n TYR 107 Ca -0.02 0.41 -0.42 0.00 -0.16 0.00 0.00 57.90 57.71 1ujx n TYR 107 Cb 0.06 -3.34 -0.03 0.00 -0.31 0.00 0.00 39.34 35.72 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 -6.11 4.46 -0.50 -0.72 0.04 -1.26 -1.98 135.00 128.94 1ujx s PRO 108 Ca 0.47 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1ujx s PRO 108 Cb -0.18 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.14 1ujx s PRO 108 CO 0.88 -0.20 0.35 -0.51 0.04 0.00 0.00 177.00 177.56 1ujx s LEU 109 N 0.90 5.60 0.01 -3.56 2.01 -1.08 -4.77 118.68 117.80 1ujx s LEU 109 Ca 0.57 -2.10 -0.30 0.00 0.01 0.00 0.00 54.13 52.31 1ujx s LEU 109 Cb -0.28 -1.96 -0.06 0.00 0.01 0.00 0.00 46.19 43.90 1ujx s LEU 109 CO 0.30 -0.61 1.43 -0.89 1.01 0.00 0.00 176.35 177.59 1ujx s THR 110 N 1.07 3.61 -0.11 5.49 2.01 -1.23 -3.22 115.64 123.26 1ujx s THR 110 Ca 0.08 1.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.82 1ujx s THR 110 Cb -0.24 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1ujx s THR 110 CO -0.02 0.00 0.89 -0.22 -0.69 0.00 0.00 174.62 174.58 1ujx s LEU 111 N 2.39 4.25 0.26 4.42 2.96 -1.06 0.03 118.68 131.93 1ujx s LEU 111 Ca 0.65 1.36 0.08 0.00 -0.22 0.00 0.00 54.13 56.00 1ujx s LEU 111 Cb -0.33 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1ujx s LEU 111 CO 0.27 -0.36 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.71 1ujx s ARG 112 N 1.76 1.53 -0.03 1.98 1.81 0.90 0.42 118.95 127.32 1ujx s ARG 112 Ca 0.43 -1.74 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 1ujx s ARG 112 Cb -0.18 -1.28 -0.01 0.00 -0.45 0.00 0.00 34.95 33.03 1ujx s ARG 112 CO 0.17 0.13 -0.22 -0.46 -0.68 0.00 0.00 175.30 174.24 1ujx s TRP 113 N -2.89 1.99 0.30 -0.53 -0.11 -1.26 -1.72 118.94 114.72 1ujx s TRP 113 Ca 0.28 -0.43 -0.09 0.00 1.22 0.00 0.00 56.10 57.08 1ujx s TRP 113 Cb 0.01 -1.29 -0.06 0.00 -1.50 0.00 0.00 33.47 30.63 1ujx s TRP 113 CO 0.11 -0.07 0.63 0.45 -4.62 0.00 0.00 176.95 173.44 1ujx s SER 114 N -0.40 6.55 0.00 5.86 0.15 0.08 -4.96 113.70 120.99 1ujx s SER 114 Ca 0.05 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1ujx s SER 114 Cb -0.09 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1ujx s SER 114 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ujx n GLY 115 N -0.72 0.68 3.80 9.45 0.00 -1.26 -3.97 105.19 113.16 1ujx n GLY 115 Ca 0.01 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.00 3.69 -0.30 1.61 0.04 -1.26 -5.04 135.00 131.74 1ujx s PRO 116 Ca 0.00 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 1ujx s PRO 116 Cb 0.00 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 116 CO 0.00 -0.52 0.99 0.45 0.04 0.00 0.00 177.00 177.96 1ujx s SER 117 N -2.24 -0.56 -0.52 6.66 0.15 -1.26 -5.12 113.70 110.80 1ujx s SER 117 Ca 0.66 0.07 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 1ujx s SER 117 Cb -0.16 1.36 0.09 0.00 -1.71 0.00 0.00 66.02 65.60 1ujx s SER 117 CO 0.25 -0.10 0.53 -0.94 1.20 0.00 0.00 173.24 174.17 1ujx s SER 118 N 2.94 6.18 0.00 5.45 1.04 -1.26 -5.30 113.70 122.75 1ujx s SER 118 Ca 0.25 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1ujx s SER 118 Cb -0.03 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1ujx s SER 118 CO -0.23 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.76