#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 -3.66 -2.38 1.61 2.88 -1.26 -5.14 113.62 105.68 1ujx n SER 2 Ca 0.00 0.80 -0.02 0.00 -1.33 0.00 0.00 58.87 58.32 1ujx n SER 2 Cb 0.00 3.47 -0.02 0.00 -0.75 0.00 0.00 64.21 66.91 1ujx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujx n SER 3 N -3.33 -6.32 0.00 -3.46 7.64 -1.26 -5.08 113.62 101.81 1ujx n SER 3 Ca 0.00 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1ujx n SER 3 Cb 0.00 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.13 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujx n GLY 4 N 1.72 3.94 3.15 0.23 0.00 -1.26 -5.13 105.19 107.84 1ujx n GLY 4 Ca -0.14 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 1.43 3.62 -0.08 1.61 0.01 -1.26 -5.08 113.70 113.95 1ujx s SER 5 Ca 0.00 -0.73 -0.32 0.00 1.31 0.00 0.00 55.95 56.20 1ujx s SER 5 Cb 0.00 -1.55 0.14 0.00 0.21 0.00 0.00 66.02 64.82 1ujx s SER 5 CO 0.00 -0.04 1.37 -0.94 0.41 0.00 0.00 173.24 174.04 1ujx s SER 6 N 1.30 -0.03 0.00 2.44 1.04 -1.26 -5.11 113.70 112.08 1ujx s SER 6 Ca 0.03 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1ujx s SER 6 Cb -0.15 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1ujx s SER 6 CO -0.09 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1ujx n GLY 7 N -0.45 -1.77 1.54 7.32 0.00 -1.26 -4.99 105.19 105.57 1ujx n GLY 7 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ujx n MET 8 N 0.00 -3.76 -1.08 1.61 0.00 -1.26 -5.00 117.12 107.62 1ujx n MET 8 Ca 0.00 3.01 0.13 0.00 -0.00 0.00 0.00 57.70 60.84 1ujx n MET 8 Cb 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 33.22 29.09 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ujx n SER 9 N -3.68 -5.93 -3.85 6.12 2.88 -1.26 -4.87 113.62 103.02 1ujx n SER 9 Ca -0.06 1.07 -0.30 0.00 -1.33 0.00 0.00 58.87 58.25 1ujx n SER 9 Cb 0.62 -3.71 -0.15 0.00 -0.75 0.00 0.00 64.21 60.22 1ujx n SER 9 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ujx s GLN 10 N -3.89 1.05 0.09 -1.46 -0.44 -1.26 -5.09 119.66 108.65 1ujx s GLN 10 Ca 0.00 -1.39 -0.31 0.00 -2.50 0.00 0.00 55.36 51.16 1ujx s GLN 10 Cb 0.00 -2.50 -0.09 0.00 -1.64 0.00 0.00 33.01 28.78 1ujx s GLN 10 CO 0.00 -0.95 1.71 -0.51 0.50 0.00 0.00 175.29 176.04 1ujx s LEU 11 N 1.32 4.38 0.00 3.68 1.43 -1.26 -4.81 118.68 123.42 1ujx s LEU 11 Ca 0.10 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1ujx s LEU 11 Cb -0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ujx s LEU 11 CO -0.18 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.09 1ujx n GLY 12 N 4.07 1.77 3.69 -3.19 0.00 -1.26 -5.18 105.19 105.09 1ujx n GLY 12 Ca 0.16 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 1.88 4.13 0.00 1.61 1.04 -1.26 -5.02 113.70 116.07 1ujx s SER 13 Ca 0.00 -1.30 0.29 0.00 0.48 0.00 0.00 55.95 55.41 1ujx s SER 13 Cb 0.00 -0.28 1.20 0.00 0.10 0.00 0.00 66.02 67.04 1ujx s SER 13 CO 0.00 -0.56 1.83 0.54 0.98 0.00 0.00 173.24 176.03 1ujx n ARG 14 N -1.13 1.21 0.00 4.02 3.00 -1.26 -4.95 116.66 117.55 1ujx n ARG 14 Ca -0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 57.85 57.23 1ujx n ARG 14 Cb 0.66 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.63 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 1.19 -0.46 3.08 -0.13 0.00 -1.25 -4.65 105.19 102.96 1ujx n GLY 15 Ca 0.18 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1ujx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 16 N -2.00 1.25 0.25 1.61 1.81 -1.20 -4.88 118.95 115.79 1ujx s ARG 16 Ca 0.00 -0.47 -0.22 0.00 -1.72 0.00 0.00 55.73 53.32 1ujx s ARG 16 Cb 0.00 -1.15 -0.09 0.00 -0.45 0.00 0.00 34.95 33.26 1ujx s ARG 16 CO 0.00 0.23 0.81 -0.51 -0.68 0.00 0.00 175.30 175.15 1ujx s LEU 17 N -0.08 4.36 0.12 2.53 1.43 -1.26 -0.53 118.68 125.25 1ujx s LEU 17 Ca 0.00 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.43 1ujx s LEU 17 Cb -0.08 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1ujx s LEU 17 CO 0.00 0.01 0.80 -1.66 0.23 0.00 0.00 176.35 175.73 1ujx s TRP 18 N -1.53 -0.33 0.01 0.29 1.48 -0.25 -1.80 118.94 116.80 1ujx s TRP 18 Ca 0.45 0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.59 1ujx s TRP 18 Cb -0.18 0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 32.68 1ujx s TRP 18 CO 0.22 -0.79 0.09 -0.51 -4.06 0.00 0.00 176.95 171.90 1ujx s LEU 19 N -2.72 3.91 -0.57 -4.66 2.01 -1.19 0.33 118.68 115.80 1ujx s LEU 19 Ca 0.06 0.13 -0.04 0.00 0.01 0.00 0.00 54.13 54.30 1ujx s LEU 19 Cb -0.02 -2.33 0.15 0.00 0.01 0.00 0.00 46.19 44.00 1ujx s LEU 19 CO -0.06 0.25 0.39 -1.58 1.01 0.00 0.00 176.35 176.37 1ujx s GLN 20 N -1.86 2.48 0.40 1.70 0.74 0.20 -4.04 119.66 119.29 1ujx s GLN 20 Ca 0.24 -2.30 -0.26 0.00 0.05 0.00 0.00 55.36 53.10 1ujx s GLN 20 Cb -0.12 -3.75 -0.08 0.00 1.10 0.00 0.00 33.01 30.16 1ujx s GLN 20 CO 0.16 -1.16 1.25 -1.54 -0.55 0.00 0.00 175.29 173.45 1ujx s SER 21 N 1.19 6.37 0.79 6.67 1.04 -1.26 -2.94 113.70 125.57 1ujx s SER 21 Ca 0.14 2.54 -0.11 0.00 0.48 0.00 0.00 55.95 59.00 1ujx s SER 21 Cb -0.21 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.35 1ujx s SER 21 CO -0.04 -0.80 1.10 -2.16 0.98 0.00 0.00 173.24 172.32 1ujx s PRO 22 N -2.26 2.12 -1.16 4.02 0.04 -1.26 -3.41 135.00 133.08 1ujx s PRO 22 Ca 0.57 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1ujx s PRO 22 Cb -0.35 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1ujx s PRO 22 CO 0.45 -1.60 0.00 -2.37 0.04 0.00 0.00 177.00 173.52 1ujx n THR 23 N -3.42 0.00 0.00 1.26 5.66 -1.26 -3.59 114.28 112.93 1ujx n THR 23 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1ujx n THR 23 Cb 0.56 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 0.20 0.67 5.63 1.09 0.00 -1.22 -4.88 105.19 106.67 1ujx n GLY 24 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.67 3.78 -0.02 0.00 -1.24 -4.44 105.19 104.94 1ujx n GLY 25 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1ujx n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 26 N 0.00 0.68 0.97 1.61 0.04 -1.26 -5.06 135.00 131.98 1ujx s PRO 26 Ca 0.00 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.01 1ujx s PRO 26 Cb 0.00 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.91 1ujx s PRO 26 CO 0.00 -2.47 1.16 -1.25 0.04 0.00 0.00 177.00 174.48 1ujx s PRO 27 N -5.41 0.66 -0.20 0.56 0.04 -1.26 -4.85 135.00 124.54 1ujx s PRO 27 Ca 0.67 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1ujx s PRO 27 Cb -0.12 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1ujx s PRO 27 CO 0.54 -2.49 1.30 -1.25 0.04 0.00 0.00 177.00 175.13 1ujx s PRO 28 N -5.40 4.13 -0.40 0.56 0.04 -1.26 -4.89 135.00 127.77 1ujx s PRO 28 Ca 0.67 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 1ujx s PRO 28 Cb -0.12 -3.81 0.02 0.00 0.04 0.00 0.00 34.50 30.63 1ujx s PRO 28 CO 0.54 -0.85 1.11 0.42 0.04 0.00 0.00 177.00 178.26 1ujx s ILE 29 N 3.82 4.34 -0.48 0.56 1.09 -1.26 -4.95 121.20 124.33 1ujx s ILE 29 Ca 0.56 1.46 -0.24 0.00 -1.10 0.00 0.00 60.65 61.34 1ujx s ILE 29 Cb -0.21 -4.52 0.03 0.00 -1.06 0.00 0.00 42.46 36.71 1ujx s ILE 29 CO 0.18 -0.76 0.85 -0.36 -0.10 0.00 0.00 174.94 174.75 1ujx s PHE 30 N 4.09 2.93 0.72 3.97 0.40 -1.26 -3.15 117.98 125.68 1ujx s PHE 30 Ca 0.47 0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1ujx s PHE 30 Cb -0.09 -3.84 0.04 0.00 0.51 0.00 0.00 43.02 39.63 1ujx s PHE 30 CO 0.24 -1.10 1.21 -0.51 0.70 0.00 0.00 175.22 175.76 1ujx s LEU 31 N 3.55 3.33 0.78 -0.37 1.43 -0.75 -4.99 118.68 121.66 1ujx s LEU 31 Ca 0.32 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1ujx s LEU 31 Cb -0.12 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.57 1ujx s LEU 31 CO 0.23 -2.23 1.09 -2.16 0.23 0.00 0.00 176.35 173.51 1ujx s PRO 32 N -3.88 2.20 -0.15 1.29 0.04 -1.26 -4.72 135.00 128.52 1ujx s PRO 32 Ca 0.75 0.68 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1ujx s PRO 32 Cb -0.29 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 1ujx s PRO 32 CO 0.45 -1.55 -0.06 -1.13 0.04 0.00 0.00 177.00 174.75 1ujx n SER 33 N -3.39 2.26 -0.30 6.66 3.41 -1.26 -4.20 113.62 116.80 1ujx n SER 33 Ca 0.07 -0.05 0.34 0.00 -0.26 0.00 0.00 58.87 58.98 1ujx n SER 33 Cb 0.56 0.24 0.65 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.00 0.00 4.04 3.32 -1.95 -3.43 116.42 118.41 1ujx h ASP 34 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1ujx h ASP 34 Cb 1.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.24 1ujx h ASP 34 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 1ujx n GLY 35 N -1.74 1.11 3.43 2.75 0.00 -1.26 -5.11 105.19 104.37 1ujx n GLY 35 Ca 0.26 0.00 -0.29 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 -0.59 -2.53 -3.98 1.61 6.02 -1.26 -4.87 117.38 111.78 1ujx n GLN 36 Ca 0.00 -0.71 -0.34 0.00 -0.01 0.00 0.00 57.00 55.94 1ujx n GLN 36 Cb 0.00 -2.09 -0.15 0.00 1.02 0.00 0.00 30.24 29.02 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 -2.37 2.65 -0.51 -1.58 0.00 -1.26 -4.30 121.76 114.39 1ujx s ALA 37 Ca 0.67 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 1ujx s ALA 37 Cb -0.24 -1.58 0.05 0.00 0.00 0.00 0.00 23.12 21.35 1ujx s ALA 37 CO 0.66 -0.59 0.74 -1.17 0.00 0.00 0.00 175.76 175.40 1ujx s LEU 38 N 1.36 4.58 0.17 0.00 2.96 0.50 -4.83 118.68 123.42 1ujx s LEU 38 Ca 0.03 -0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 1ujx s LEU 38 Cb -0.15 -2.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 1ujx s LEU 38 CO -0.06 -0.99 1.16 -0.69 -1.32 0.00 0.00 176.35 174.45 1ujx s VAL 39 N 3.13 3.73 0.33 1.68 1.01 -1.26 -1.22 120.40 127.80 1ujx s VAL 39 Ca 0.22 1.45 0.10 0.00 0.00 0.00 0.00 61.98 63.75 1ujx s VAL 39 Cb -0.16 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1ujx s VAL 39 CO 0.16 0.23 -0.04 -0.76 0.00 0.00 0.00 175.10 174.68 1ujx s LEU 40 N -0.18 2.89 0.00 3.92 1.43 -0.77 -4.95 118.68 121.03 1ujx s LEU 40 Ca 0.52 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1ujx s LEU 40 Cb -0.31 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1ujx s LEU 40 CO 0.35 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1ujx n GLY 41 N -0.87 -0.19 3.77 -3.19 0.00 -1.25 -2.02 105.19 101.44 1ujx n GLY 41 Ca -0.05 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 4.08 0.00 1.61 0.52 -1.25 -4.46 118.95 117.45 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 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1ujx s ARG 42 CO 0.00 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.30 1ujx n GLY 43 N 0.67 0.88 0.00 -3.53 0.00 -0.65 -4.64 105.19 97.94 1ujx n GLY 43 Ca 0.02 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.76 0.17 0.25 1.61 -0.04 -1.26 -1.30 135.00 133.67 1ujx n PRO 44 Ca 0.00 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 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 -1.18 -2.42 1.53 4.07 -1.88 -3.24 115.31 112.19 1ujx h LEU 45 Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ujx h LEU 45 Cb 0.29 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1ujx h LEU 45 CO 0.00 -0.56 0.00 0.35 -1.08 0.00 0.00 178.44 177.15 1ujx n THR 46 N -5.02 0.69 -1.23 0.22 -2.24 -1.24 -4.65 114.28 100.82 1ujx n THR 46 Ca -0.10 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 60.76 1ujx n THR 46 Cb 0.39 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.41 -1.29 -2.52 -0.78 1.13 -0.42 -4.78 117.38 109.14 1ujx n GLN 47 Ca 0.08 0.71 -0.41 0.00 -1.94 0.00 0.00 57.00 55.44 1ujx n GLN 47 Cb 0.35 -4.85 -0.04 0.00 0.11 0.00 0.00 30.24 25.81 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 -1.91 4.01 -0.00 5.09 1.01 -1.08 -4.90 120.40 122.62 1ujx s VAL 48 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1ujx s VAL 48 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1ujx s VAL 48 CO 0.00 0.23 0.79 0.35 0.00 0.00 0.00 175.10 176.47 1ujx n THR 49 N 2.87 0.58 -2.17 3.92 -2.24 -1.26 -1.63 114.28 114.35 1ujx n THR 49 Ca 0.04 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 1ujx n THR 49 Cb 0.47 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.59 6.82 0.20 3.42 2.15 -1.26 -4.91 116.67 122.50 1ujx s ASP 50 Ca 0.00 2.28 -0.11 0.00 0.43 0.00 0.00 52.55 55.15 1ujx s ASP 50 Cb 0.00 -2.58 0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1ujx s ASP 50 CO 0.00 -0.68 1.82 0.03 -0.17 0.00 0.00 175.17 176.17 1ujx h ARG 51 N 7.13 0.68 -0.71 4.34 3.08 -2.05 0.44 114.38 127.30 1ujx h ARG 51 Ca -0.41 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 59.80 1ujx h ARG 51 Cb 1.20 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1ujx h ARG 51 CO 0.88 0.45 0.68 0.87 -1.07 0.00 0.00 179.97 181.78 1ujx h LYS 52 N 0.70 0.00 -6.84 0.04 1.57 -2.04 -3.39 116.57 106.62 1ujx h LYS 52 Ca 0.26 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.55 1ujx h LYS 52 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ujx h LYS 52 CO -0.13 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.16 1ujx s SER 54 N -1.23 3.11 0.46 0.00 0.15 -1.26 -4.64 113.70 110.29 1ujx s SER 54 Ca 0.47 -0.52 0.39 0.00 0.70 0.00 0.00 55.95 57.00 1ujx s SER 54 Cb -0.26 -1.03 1.49 0.00 -1.71 0.00 0.00 66.02 64.51 1ujx s SER 54 CO 0.33 0.22 1.43 0.54 1.20 0.00 0.00 173.24 176.95 1ujx n ARG 55 N 3.13 -0.01 -3.06 5.44 1.74 -1.26 0.65 116.66 123.28 1ujx n ARG 55 Ca -0.18 1.06 -0.24 0.00 -0.77 0.00 0.00 57.85 57.71 1ujx n ARG 55 Cb 0.52 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 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 -4.08 3.29 -0.00 0.55 0.23 -1.25 -3.95 115.26 110.04 1ujx n ASN 56 Ca 0.39 -3.45 -0.13 0.00 -0.53 0.00 0.00 54.58 50.86 1ujx n ASN 56 Cb 1.67 -0.59 -0.10 0.00 -2.08 0.00 0.00 39.78 38.69 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 3.13 -0.03 -4.02 -3.83 5.75 0.83 -2.71 115.11 114.23 1ujx h GLN 57 Ca 0.13 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.48 1ujx h GLN 57 Cb 0.65 0.01 -0.18 0.00 1.07 0.00 0.00 27.48 29.03 1ujx h GLN 57 CO 0.72 0.44 -0.66 0.14 -2.65 0.00 0.00 178.83 176.82 1ujx s VAL 58 N -4.29 0.15 -0.30 2.39 -7.23 -1.24 -0.65 120.40 109.23 1ujx s VAL 58 Ca -0.16 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1ujx s VAL 58 Cb 0.02 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 36.16 1ujx s VAL 58 CO 0.66 -0.69 0.09 -0.70 -0.31 0.00 0.00 175.10 174.16 1ujx s GLU 59 N -2.50 3.06 -0.04 4.82 2.12 0.26 -1.85 118.70 124.57 1ujx s GLU 59 Ca -0.06 -0.89 -0.12 0.00 0.36 0.00 0.00 54.97 54.26 1ujx s GLU 59 Cb -0.02 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1ujx s GLU 59 CO -0.05 -0.47 0.32 -0.51 -0.54 0.00 0.00 175.26 174.01 1ujx s LEU 60 N 1.50 4.45 -0.05 2.70 1.02 -0.36 -1.95 118.68 125.99 1ujx s LEU 60 Ca 0.02 0.79 -0.01 0.00 0.02 0.00 0.00 54.13 54.95 1ujx s LEU 60 Cb -0.17 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.65 1ujx s LEU 60 CO 0.03 0.35 0.04 -0.63 0.02 0.00 0.00 176.35 176.16 1ujx s ILE 61 N -1.05 0.05 0.04 -0.59 1.01 -0.74 0.19 121.20 120.11 1ujx s ILE 61 Ca 0.21 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 1ujx s ILE 61 Cb -0.15 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1ujx s ILE 61 CO 0.10 0.19 1.20 0.00 0.00 0.00 0.00 174.94 176.43 1ujx s ALA 62 N 1.95 3.41 -0.52 9.38 0.00 -1.26 -1.82 121.76 132.90 1ujx s ALA 62 Ca 0.03 0.80 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1ujx s ALA 62 Cb -0.12 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.68 1ujx s ALA 62 CO -0.03 -0.50 0.30 0.34 0.00 0.00 0.00 175.76 175.87 1ujx s ASP 63 N 1.16 4.04 0.00 0.00 2.15 0.77 -4.71 116.67 120.07 1ujx s ASP 63 Ca 0.58 -3.03 0.23 0.00 0.43 0.00 0.00 52.55 50.76 1ujx s ASP 63 Cb -0.28 -1.37 1.36 0.00 -0.30 0.00 0.00 42.92 42.32 1ujx s ASP 63 CO 0.28 -0.21 1.74 -0.81 -0.17 0.00 0.00 175.17 176.00 1ujx n PRO 64 N 3.04 0.75 -0.17 4.34 -0.04 -1.26 -0.39 135.00 141.28 1ujx n PRO 64 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1ujx n PRO 64 Cb 0.34 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.00 -0.04 0.54 5.08 -1.92 -3.34 114.58 115.91 1ujx h GLU 65 Ca 0.00 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.78 1ujx h GLU 65 Cb 0.00 -0.05 -0.36 0.00 0.50 0.00 0.00 28.75 28.84 1ujx h GLU 65 CO 0.00 1.08 -0.95 0.43 -1.00 0.00 0.00 179.01 178.57 1ujx n SER 66 N -4.12 0.78 -3.78 1.42 7.64 -1.18 -5.01 113.62 109.36 1ujx n SER 66 Ca 0.01 -2.00 -0.34 0.00 1.01 0.00 0.00 58.87 57.54 1ujx n SER 66 Cb 0.43 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.32 -1.21 -4.36 1.43 1.74 -0.67 -4.98 116.66 108.93 1ujx n ARG 67 Ca 0.02 0.38 -0.20 0.00 -0.77 0.00 0.00 57.85 57.27 1ujx n ARG 67 Cb 1.06 -3.86 -0.09 0.00 -1.02 0.00 0.00 32.46 28.56 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ujx s THR 68 N -3.52 0.30 -0.14 0.55 -4.23 0.48 -4.21 115.64 104.87 1ujx s THR 68 Ca 0.44 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1ujx s THR 68 Cb -0.17 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1ujx s THR 68 CO 0.89 0.00 0.33 -0.69 -0.54 0.00 0.00 174.62 174.60 1ujx s VAL 69 N -3.49 -0.13 0.12 2.29 1.01 -0.06 -0.16 120.40 119.98 1ujx s VAL 69 Ca 0.34 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 1ujx s VAL 69 Cb 0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.84 1ujx s VAL 69 CO 0.19 0.06 0.57 0.00 0.00 0.00 0.00 175.10 175.92 1ujx s ALA 70 N 1.57 3.57 -0.06 5.51 0.00 -0.76 0.18 121.76 131.78 1ujx s ALA 70 Ca -0.08 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1ujx s ALA 70 Cb -0.10 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1ujx s ALA 70 CO -0.11 0.42 -0.12 0.08 0.00 0.00 0.00 175.76 176.03 1ujx s VAL 71 N -1.32 1.15 -0.09 0.00 1.01 0.82 -1.78 120.40 120.19 1ujx s VAL 71 Ca 0.34 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ujx s VAL 71 Cb -0.17 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1ujx s VAL 71 CO 0.19 0.36 -0.04 -0.75 0.00 0.00 0.00 175.10 174.86 1ujx s LYS 72 N 0.63 1.08 -0.20 2.72 2.20 -0.83 0.16 119.74 125.50 1ujx s LYS 72 Ca -0.14 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 1ujx s LYS 72 Cb -0.16 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 1ujx s LYS 72 CO 0.04 -0.26 1.12 -1.14 -0.36 0.00 0.00 175.35 174.75 1ujx s GLN 73 N 1.72 4.25 0.00 4.03 0.74 -1.02 0.93 119.66 130.31 1ujx s GLN 73 Ca 0.03 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.91 1ujx s GLN 73 Cb -0.13 -3.68 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1ujx s GLN 73 CO -0.06 -0.65 0.49 1.28 -0.55 0.00 0.00 175.29 175.80 1ujx n LEU 74 N 6.39 0.98 0.00 3.68 4.77 0.17 -1.52 117.00 131.47 1ujx n LEU 74 Ca 0.13 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 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 0.53 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1ujx n GLY 75 N -0.00 0.79 1.86 -0.72 0.00 -0.49 -4.84 105.19 101.78 1ujx n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.05 -2.09 1.61 3.14 -1.26 -4.90 118.33 114.88 1ujx n VAL 76 Ca 0.00 0.02 -0.40 0.00 -2.96 0.00 0.00 64.34 61.00 1ujx n VAL 76 Cb 0.00 -0.65 -0.01 0.00 -1.06 0.00 0.00 33.84 32.12 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 -5.04 6.40 -0.05 6.55 0.01 -1.26 -4.61 114.94 116.94 1ujx s ASN 77 Ca 0.00 2.63 -0.30 0.00 -0.71 0.00 0.00 52.86 54.48 1ujx s ASN 77 Cb 0.00 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.99 1ujx s ASN 77 CO 0.00 -0.78 1.22 -2.16 -1.51 0.00 0.00 177.10 173.87 1ujx s PRO 78 N -2.18 4.34 0.35 -0.60 0.04 -1.26 -4.86 135.00 130.83 1ujx s PRO 78 Ca 0.56 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1ujx s PRO 78 Cb -0.38 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1ujx s PRO 78 CO 0.49 -0.47 0.56 -1.12 0.04 0.00 0.00 177.00 176.50 1ujx s SER 79 N 1.53 6.31 -0.22 6.66 0.01 -1.26 -4.56 113.70 122.17 1ujx s SER 79 Ca 0.57 0.51 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 1ujx s SER 79 Cb -0.25 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 63.94 1ujx s SER 79 CO 0.22 -0.30 -0.12 -0.89 0.41 0.00 0.00 173.24 172.56 1ujx s THR 80 N -2.31 2.49 -0.97 1.44 2.01 -1.23 0.19 115.64 117.26 1ujx s THR 80 Ca 0.41 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1ujx s THR 80 Cb -0.10 -2.20 0.22 0.00 0.01 0.00 0.00 72.50 70.43 1ujx s THR 80 CO 0.36 0.32 0.99 -0.69 -0.69 0.00 0.00 174.62 174.91 1ujx s VAL 81 N 1.29 5.59 0.00 3.82 1.01 0.16 -0.86 120.40 131.40 1ujx s VAL 81 Ca 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.28 1ujx s VAL 81 Cb -0.16 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1ujx s VAL 81 CO -0.08 -1.20 0.00 0.61 0.00 0.00 0.00 175.10 174.44 1ujx n GLY 82 N 3.73 1.06 0.25 4.51 0.00 0.18 -3.67 105.19 111.25 1ujx n GLY 82 Ca 0.21 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 0.51 -4.88 1.61 3.14 -1.26 -4.72 118.33 112.72 1ujx n VAL 83 Ca 0.00 -0.59 -0.26 0.00 -2.96 0.00 0.00 64.34 60.53 1ujx n VAL 83 Cb 0.00 0.45 -0.15 0.00 -1.06 0.00 0.00 33.84 33.08 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 -0.72 1.55 0.26 1.45 0.74 -1.24 -5.13 119.66 116.57 1ujx s GLN 84 Ca 0.07 -0.77 -0.16 0.00 0.05 0.00 0.00 55.36 54.56 1ujx s GLN 84 Cb 0.06 -1.54 -0.08 0.00 1.10 0.00 0.00 33.01 32.55 1ujx s GLN 84 CO 0.01 0.42 0.69 -2.00 -0.55 0.00 0.00 175.29 173.85 1ujx s GLU 85 N -0.65 4.05 0.16 1.67 2.12 -1.26 -0.67 118.70 124.12 1ujx s GLU 85 Ca 0.08 0.66 0.02 0.00 0.36 0.00 0.00 54.97 56.08 1ujx s GLU 85 Cb -0.08 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.68 1ujx s GLU 85 CO -0.00 0.28 0.13 1.28 -0.54 0.00 0.00 175.26 176.41 1ujx n LEU 86 N 0.11 0.00 -4.14 2.70 4.77 0.51 -4.89 117.00 116.06 1ujx n LEU 86 Ca 0.00 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 1ujx n LEU 86 Cb 0.52 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1ujx n LEU 86 CO 0.42 -0.38 -0.06 -0.54 -1.33 0.00 0.00 177.39 175.50 1ujx s LYS 87 N -2.66 1.45 -0.36 3.23 1.02 -1.26 -4.36 119.74 116.80 1ujx s LYS 87 Ca 0.10 -1.58 -0.29 0.00 0.02 0.00 0.00 55.97 54.22 1ujx s LYS 87 Cb -0.01 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 1ujx s LYS 87 CO 0.06 -0.54 1.38 -1.25 -0.92 0.00 0.00 175.35 174.08 1ujx s PRO 88 N -3.91 3.72 0.00 -1.68 0.04 -1.26 -2.20 135.00 129.72 1ujx s PRO 88 Ca 0.33 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1ujx s PRO 88 Cb 0.03 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1ujx s PRO 88 CO 0.14 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1ujx n GLY 89 N 4.75 0.57 3.11 0.56 0.00 -0.58 -5.05 105.19 108.55 1ujx n GLY 89 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.64 0.99 7.94 -0.93 -4.88 117.00 116.48 1ujx n LEU 90 Ca 0.00 -1.30 -0.09 0.00 -1.11 0.00 0.00 56.01 53.51 1ujx n LEU 90 Cb 0.00 -0.75 -0.07 0.00 0.53 0.00 0.00 43.42 43.13 1ujx n LEU 90 CO 0.00 -1.18 0.35 -0.44 -1.11 0.00 0.00 177.39 175.01 1ujx s SER 91 N -4.77 -0.85 0.00 1.96 0.01 -1.26 -2.43 113.70 106.36 1ujx s SER 91 Ca 0.59 1.45 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1ujx s SER 91 Cb -0.02 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1ujx s SER 91 CO 0.41 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1ujx n GLY 92 N 3.79 4.38 3.14 3.44 0.00 0.43 -4.95 105.19 115.41 1ujx n GLY 92 Ca -0.18 -1.89 -0.15 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 1.33 -0.07 1.61 1.04 -1.26 -0.13 113.70 115.45 1ujx s SER 93 Ca 0.00 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1ujx s SER 93 Cb 0.00 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1ujx s SER 93 CO 0.00 -0.18 -0.14 -0.76 0.98 0.00 0.00 173.24 173.14 1ujx s LEU 94 N -1.93 1.71 0.35 2.42 1.02 0.49 -4.90 118.68 117.85 1ujx s LEU 94 Ca -0.02 -0.35 0.07 0.00 0.02 0.00 0.00 54.13 53.85 1ujx s LEU 94 Cb -0.07 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 1ujx s LEU 94 CO 0.01 0.05 0.47 -0.44 0.02 0.00 0.00 176.35 176.46 1ujx s SER 95 N 0.65 5.82 -0.39 2.29 0.01 -1.26 -0.88 113.70 119.94 1ujx s SER 95 Ca -0.14 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 1ujx s SER 95 Cb -0.16 -1.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.93 1ujx s SER 95 CO 0.04 -0.50 2.35 0.18 0.41 0.00 0.00 173.24 175.72 1ujx n LEU 96 N -1.66 2.63 0.00 2.44 4.77 -1.26 -0.36 117.00 123.57 1ujx n LEU 96 Ca 0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1ujx n LEU 96 Cb 0.58 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ujx n LEU 96 CO 0.41 -1.21 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 1ujx n GLY 97 N 5.95 1.34 3.43 -0.72 0.00 0.37 -4.99 105.19 110.57 1ujx n GLY 97 Ca 0.35 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.66 -4.86 1.61 9.92 0.52 -4.42 116.55 117.65 1ujx n ASP 98 Ca 0.00 0.51 -0.21 0.00 -0.53 0.00 0.00 54.79 54.56 1ujx n ASP 98 Cb 0.00 -1.19 -0.04 0.00 -0.64 0.00 0.00 41.12 39.26 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 -2.03 4.39 -0.36 2.53 1.01 -1.26 -2.50 120.40 122.18 1ujx s VAL 99 Ca 0.62 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1ujx s VAL 99 Cb -0.31 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 32.78 1ujx s VAL 99 CO 0.61 -0.30 0.27 -0.22 0.00 0.00 0.00 175.10 175.46 1ujx s LEU 100 N -3.91 0.70 -0.55 3.92 2.96 -1.20 0.48 118.68 121.08 1ujx s LEU 100 Ca 0.35 -2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 51.90 1ujx s LEU 100 Cb -0.08 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 1ujx s LEU 100 CO 0.26 -0.28 2.13 -0.31 -1.32 0.00 0.00 176.35 176.83 1ujx s TYR 101 N 1.08 1.37 0.14 5.38 2.02 -0.04 -3.51 117.35 123.78 1ujx s TYR 101 Ca 0.19 1.16 -0.21 0.00 -0.37 0.00 0.00 57.07 57.84 1ujx s TYR 101 Cb -0.19 -3.84 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 1ujx s TYR 101 CO -0.02 -2.43 1.18 1.28 -1.57 0.00 0.00 175.55 174.00 1ujx n LEU 102 N 14.28 -0.74 -3.79 -1.29 4.77 -0.92 -3.52 117.00 125.80 1ujx n LEU 102 Ca 0.28 1.35 -0.04 0.00 -0.03 0.00 0.00 56.01 57.58 1ujx n LEU 102 Cb 0.53 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1ujx n LEU 102 CO 0.71 -1.13 0.71 0.54 -1.33 0.00 0.00 177.39 176.89 1ujx s VAL 103 N -5.46 0.00 -1.68 4.08 0.11 -1.24 -4.73 120.40 111.49 1ujx s VAL 103 Ca -0.09 -0.70 -0.10 0.00 -2.93 0.00 0.00 61.98 58.16 1ujx s VAL 103 Cb 0.10 -2.24 0.10 0.00 -1.53 0.00 0.00 36.38 32.81 1ujx s VAL 103 CO 0.49 0.00 0.26 0.59 -3.33 0.00 0.00 175.10 173.11 1ujx n ASN 104 N -0.69 -0.26 -2.18 3.54 5.03 -1.26 0.15 115.26 119.60 1ujx n ASN 104 Ca -0.05 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1ujx n ASN 104 Cb 0.60 -1.67 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 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 -1.95 -0.42 0.29 7.41 0.00 -1.26 -4.80 105.19 104.45 1ujx n GLY 105 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.11 0.00 -4.10 0.99 4.77 0.40 -4.86 117.00 112.10 1ujx n LEU 106 Ca 0.00 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 1ujx n LEU 106 Cb 0.42 0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ujx n LEU 106 CO 0.00 -0.04 -0.21 -1.22 -1.33 0.00 0.00 177.39 174.59 1ujx n TYR 107 N -0.09 -1.25 -1.53 -1.77 4.01 -1.26 -2.69 117.16 112.57 1ujx n TYR 107 Ca -0.01 0.13 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 1ujx n TYR 107 Cb 0.05 -2.57 0.16 0.00 -0.31 0.00 0.00 39.34 36.67 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 -7.31 0.65 0.24 -0.72 0.04 -1.26 -2.15 135.00 124.48 1ujx s PRO 108 Ca 0.38 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.46 1ujx s PRO 108 Cb -0.21 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1ujx s PRO 108 CO 0.92 -2.49 0.33 -0.51 0.04 0.00 0.00 177.00 175.28 1ujx s LEU 109 N -6.16 0.77 -0.15 -3.56 1.02 -1.23 -4.52 118.68 104.85 1ujx s LEU 109 Ca 0.67 -1.20 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 1ujx s LEU 109 Cb -0.12 1.13 0.04 0.00 0.02 0.00 0.00 46.19 47.26 1ujx s LEU 109 CO 0.54 -1.03 -0.03 -0.89 0.02 0.00 0.00 176.35 174.96 1ujx s THR 110 N -3.97 0.88 -0.28 5.49 2.01 -1.15 -3.20 115.64 115.42 1ujx s THR 110 Ca 0.31 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 1ujx s THR 110 Cb 0.03 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1ujx s THR 110 CO 0.12 0.12 1.61 -0.22 -0.69 0.00 0.00 174.62 175.56 1ujx s LEU 111 N 1.73 3.75 0.27 4.42 2.96 -1.04 0.62 118.68 131.40 1ujx s LEU 111 Ca 0.02 1.40 0.10 0.00 -0.22 0.00 0.00 54.13 55.43 1ujx s LEU 111 Cb -0.15 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1ujx s LEU 111 CO -0.07 -1.38 -0.07 -0.13 -1.32 0.00 0.00 176.35 173.38 1ujx s ARG 112 N 4.92 2.09 -0.02 1.98 1.81 0.15 -0.48 118.95 129.40 1ujx s ARG 112 Ca 0.71 -1.54 0.03 0.00 -1.72 0.00 0.00 55.73 53.21 1ujx s ARG 112 Cb -0.22 -2.03 -0.00 0.00 -0.45 0.00 0.00 34.95 32.25 1ujx s ARG 112 CO 0.30 0.35 -0.10 -0.46 -0.68 0.00 0.00 175.30 174.71 1ujx s TRP 113 N -2.39 1.01 -0.02 -0.53 -0.11 -1.26 -1.09 118.94 114.54 1ujx s TRP 113 Ca 0.31 -0.23 -0.26 0.00 1.22 0.00 0.00 56.10 57.14 1ujx s TRP 113 Cb -0.06 -0.68 -0.04 0.00 -1.50 0.00 0.00 33.47 31.19 1ujx s TRP 113 CO 0.18 -0.06 0.81 0.45 -4.62 0.00 0.00 176.95 173.71 1ujx s SER 114 N -0.02 7.17 0.00 5.86 0.15 0.31 -4.90 113.70 122.27 1ujx s SER 114 Ca 0.00 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1ujx s SER 114 Cb -0.07 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ujx s SER 114 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ujx n GLY 115 N 2.86 1.71 3.57 9.45 0.00 -1.26 -3.22 105.19 118.28 1ujx n GLY 115 Ca 0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.52 3.14 0.00 1.61 0.04 -1.26 -4.81 135.00 137.24 1ujx s PRO 116 Ca 0.00 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1ujx s PRO 116 Cb 0.00 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1ujx s PRO 116 CO 0.00 -2.86 0.00 0.43 0.04 0.00 0.00 177.00 174.61 1ujx n SER 117 N 11.33 0.00 -1.31 6.66 7.64 -1.26 -5.16 113.62 131.51 1ujx n SER 117 Ca 0.39 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.32 1ujx n SER 117 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1ujx n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujx n SER 118 N 0.00 -7.09 0.00 6.43 2.88 -1.26 -5.11 113.62 109.47 1ujx n SER 118 Ca 0.00 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 1ujx n SER 118 Cb 0.00 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42