#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjm s ARG 7 N 0.00 3.58 0.00 -1.46 1.70 -1.26 -4.91 118.95 116.60 1yjm s ARG 7 Ca 0.00 1.27 0.00 0.00 -0.47 0.00 0.00 55.73 56.53 1yjm s ARG 7 Cb 0.00 -2.07 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 1yjm s ARG 7 CO 0.00 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.03 1yjm n GLY 8 N -0.66 1.67 3.40 3.88 0.00 -1.26 -0.67 105.19 111.55 1yjm n GLY 8 Ca 0.09 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 1yjm n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yjm s ARG 9 N 1.71 0.87 0.04 1.61 1.70 -0.81 -4.91 118.95 119.16 1yjm s ARG 9 Ca 0.00 0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 55.22 1yjm s ARG 9 Cb 0.00 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 1yjm s ARG 9 CO 0.00 -0.25 0.47 -0.51 -1.08 0.00 0.00 175.30 173.93 1yjm s LEU 10 N -1.13 4.47 0.07 -1.89 1.43 -1.26 -1.64 118.68 118.72 1yjm s LEU 10 Ca -0.11 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1yjm s LEU 10 Cb -0.02 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 1yjm s LEU 10 CO 0.07 0.28 0.09 -1.66 0.23 0.00 0.00 176.35 175.35 1yjm s TRP 11 N -1.15 0.31 -0.18 0.29 1.48 -0.44 -1.68 118.94 117.57 1yjm s TRP 11 Ca 0.27 -0.77 -0.06 0.00 -1.06 0.00 0.00 56.10 54.49 1yjm s TRP 11 Cb -0.17 -0.20 -0.03 0.00 -1.16 0.00 0.00 33.47 31.90 1yjm s TRP 11 CO 0.16 -0.45 0.02 -0.51 -4.06 0.00 0.00 176.95 172.11 1yjm s LEU 12 N -2.77 3.51 -0.22 -4.66 1.43 -0.06 -0.54 118.68 115.36 1yjm s LEU 12 Ca 0.04 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1yjm s LEU 12 Cb 0.05 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1yjm s LEU 12 CO -0.10 0.14 0.12 -1.58 0.23 0.00 0.00 176.35 175.16 1yjm s GLN 13 N 0.53 4.00 0.52 1.70 0.74 0.57 -1.99 119.66 125.73 1yjm s GLN 13 Ca 0.00 -0.32 -0.05 0.00 0.05 0.00 0.00 55.36 55.05 1yjm s GLN 13 Cb -0.14 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 1yjm s GLN 13 CO 0.02 0.11 0.82 -1.12 -0.55 0.00 0.00 175.29 174.57 1yjm s SER 14 N 0.86 5.94 0.71 6.67 0.01 -1.26 -1.72 113.70 124.92 1yjm s SER 14 Ca 0.06 0.78 -0.16 0.00 1.31 0.00 0.00 55.95 57.94 1yjm s SER 14 Cb -0.13 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.17 1yjm s SER 14 CO 0.03 -0.79 1.25 -2.84 0.41 0.00 0.00 173.24 171.30 1yjm s PRO 15 N -4.83 2.19 -0.11 12.44 0.02 -1.26 -4.76 135.00 138.69 1yjm s PRO 15 Ca 0.50 1.91 -0.38 0.00 0.02 0.00 0.00 61.00 63.04 1yjm s PRO 15 Cb -0.10 -1.82 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 1yjm s PRO 15 CO 0.44 -1.84 1.56 2.41 -0.33 0.00 0.00 177.00 179.25 1yjm n THR 16 N -2.50 0.17 -0.43 0.99 -1.04 -1.26 0.45 114.28 110.66 1yjm n THR 16 Ca 0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1yjm n THR 16 Cb 0.49 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1yjm n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yjm n GLY 17 N 3.44 0.72 1.17 3.41 0.00 -1.26 -5.07 105.19 107.60 1yjm n GLY 17 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1yjm n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yjm n GLY 18 N -2.03 -0.02 3.63 -0.02 0.00 0.17 -5.08 105.19 101.84 1yjm n GLY 18 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1yjm n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yjm s PRO 19 N -3.46 0.15 0.96 1.61 0.04 -1.26 -4.97 135.00 128.07 1yjm s PRO 19 Ca 0.21 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 1yjm s PRO 19 Cb -0.01 -1.69 0.17 0.00 0.04 0.00 0.00 34.50 33.01 1yjm s PRO 19 CO 0.14 -2.95 1.09 -2.14 0.04 0.00 0.00 177.00 173.18 1yjm s PRO 20 N -4.82 0.67 0.22 0.56 0.02 -1.26 -4.52 135.00 125.87 1yjm s PRO 20 Ca 0.66 1.02 -0.31 0.00 0.02 0.00 0.00 61.00 62.39 1yjm s PRO 20 Cb -0.20 -1.73 -0.15 0.00 0.02 0.00 0.00 34.50 32.44 1yjm s PRO 20 CO 0.59 -2.70 1.12 -2.30 -0.33 0.00 0.00 177.00 173.38 1yjm n PRO 21 N -4.22 1.29 -3.44 5.54 -0.02 -1.26 -4.81 135.00 128.07 1yjm n PRO 21 Ca 0.07 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1yjm n PRO 21 Cb 0.54 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1yjm n PRO 21 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1yjm s ILE 22 N -0.51 4.75 0.14 4.25 1.01 -0.84 -4.94 121.20 125.06 1yjm s ILE 22 Ca 0.67 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1yjm s ILE 22 Cb -0.78 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 37.61 1yjm s ILE 22 CO 0.55 -0.74 1.01 -0.36 0.00 0.00 0.00 174.94 175.40 1yjm s PHE 23 N 1.50 3.74 -0.03 3.97 0.40 -1.26 -0.88 117.98 125.43 1yjm s PHE 23 Ca 0.04 1.73 -0.06 0.00 -0.60 0.00 0.00 56.93 58.04 1yjm s PHE 23 Cb -0.27 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.08 1yjm s PHE 23 CO 0.02 -0.08 0.23 -0.51 0.70 0.00 0.00 175.22 175.58 1yjm s LEU 24 N -0.22 4.38 0.22 -0.37 1.43 -0.68 -4.99 118.68 118.46 1yjm s LEU 24 Ca 0.47 0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 53.77 1yjm s LEU 24 Cb -0.26 -2.52 -0.12 0.00 0.03 0.00 0.00 46.19 43.32 1yjm s LEU 24 CO 0.32 0.29 1.68 -2.65 0.23 0.00 0.00 176.35 176.22 1yjm n PRO 25 N 1.31 2.67 0.03 1.29 -0.02 -1.26 -4.67 135.00 134.35 1yjm n PRO 25 Ca -0.13 0.96 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1yjm n PRO 25 Cb 0.53 -2.78 0.40 0.00 -0.02 0.00 0.00 33.50 31.63 1yjm n PRO 25 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1yjm n SER 26 N 3.58 0.41 -1.48 2.55 7.64 -1.26 -3.61 113.62 121.44 1yjm n SER 26 Ca 0.15 0.25 0.08 0.00 1.01 0.00 0.00 58.87 60.36 1yjm n SER 26 Cb 0.34 -0.24 0.35 0.00 -1.01 0.00 0.00 64.21 63.64 1yjm n SER 26 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yjm n ASP 27 N -1.76 4.93 0.00 6.43 10.43 -1.26 -4.62 116.55 130.71 1yjm n ASP 27 Ca 0.06 -2.88 0.00 0.00 2.57 0.00 0.00 54.79 54.53 1yjm n ASP 27 Cb 0.37 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.72 1yjm n ASP 27 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1yjm n GLY 28 N 0.29 0.64 3.79 0.44 0.00 -1.24 -5.05 105.19 104.06 1yjm n GLY 28 Ca 0.25 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1yjm n GLY 28 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yjm s GLN 29 N -0.30 4.49 0.19 1.61 0.00 -1.26 -4.74 119.66 119.65 1yjm s GLN 29 Ca 0.00 1.24 -0.30 0.00 -0.00 0.00 0.00 55.36 56.30 1yjm s GLN 29 Cb 0.00 -2.71 -0.08 0.00 0.00 0.00 0.00 33.01 30.22 1yjm s GLN 29 CO 0.00 0.24 1.11 0.00 0.00 0.00 0.00 175.29 176.64 1yjm s ALA 30 N -1.70 3.38 -0.19 2.60 0.00 -1.26 -4.60 121.76 120.00 1yjm s ALA 30 Ca 0.51 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1yjm s ALA 30 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1yjm s ALA 30 CO 0.22 -0.21 -0.12 -1.17 0.00 0.00 0.00 175.76 174.48 1yjm s LEU 31 N -0.53 2.55 -0.24 0.00 2.96 -0.30 -4.94 118.68 118.18 1yjm s LEU 31 Ca 0.49 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.76 1yjm s LEU 31 Cb -0.30 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1yjm s LEU 31 CO 0.36 0.02 0.41 -0.69 -1.32 0.00 0.00 176.35 175.13 1yjm s VAL 32 N 1.19 5.17 0.22 1.68 1.01 -1.26 -0.57 120.40 127.84 1yjm s VAL 32 Ca 0.02 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.79 1yjm s VAL 32 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1yjm s VAL 32 CO -0.05 0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.35 1yjm s LEU 33 N 1.77 2.82 0.00 3.92 1.43 -0.47 -4.99 118.68 123.15 1yjm s LEU 33 Ca 0.18 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1yjm s LEU 33 Cb -0.15 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1yjm s LEU 33 CO 0.09 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1yjm n GLY 34 N -0.23 -0.78 3.67 -3.19 0.00 -1.24 -1.12 105.19 102.30 1yjm n GLY 34 Ca -0.09 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1yjm n GLY 34 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yjm s ARG 35 N -0.30 4.19 0.00 1.61 3.52 0.62 -4.53 118.95 124.06 1yjm s ARG 35 Ca 0.00 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1yjm s ARG 35 Cb 0.00 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1yjm s ARG 35 CO 0.00 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.10 1yjm n GLY 36 N 4.08 -2.32 0.26 8.12 0.00 -1.17 -4.47 105.19 109.70 1yjm n GLY 36 Ca 0.17 -1.22 0.17 0.00 0.00 0.00 0.00 46.02 45.13 1yjm n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yjm h PRO 37 N 0.00 0.00 -0.22 1.61 0.13 -1.90 0.32 132.00 131.95 1yjm h PRO 37 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1yjm h PRO 37 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1yjm h PRO 37 CO 0.00 0.00 -0.44 -0.07 -0.23 0.00 0.00 178.00 177.26 1yjm h LEU 38 N 0.00 0.59 0.00 1.56 3.38 -1.95 -3.26 115.31 115.62 1yjm h LEU 38 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yjm h LEU 38 Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1yjm h LEU 38 CO 0.00 0.95 -1.72 0.35 0.09 0.00 0.00 178.44 178.11 1yjm n THR 39 N -4.01 0.00 -2.09 0.22 -2.24 -1.14 -4.80 114.28 100.21 1yjm n THR 39 Ca -0.02 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 1yjm n THR 39 Cb 0.54 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1yjm n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yjm n GLN 40 N -2.05 -1.70 -3.30 -0.78 6.02 0.09 -4.77 117.38 110.89 1yjm n GLN 40 Ca -0.02 0.94 -0.38 0.00 -0.01 0.00 0.00 57.00 57.53 1yjm n GLN 40 Cb 0.49 -5.47 -0.06 0.00 1.02 0.00 0.00 30.24 26.22 1yjm n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yjm s VAL 41 N -2.76 5.17 -0.74 5.09 1.01 -1.22 -4.95 120.40 122.00 1yjm s VAL 41 Ca 0.00 0.94 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1yjm s VAL 41 Cb 0.00 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.68 1yjm s VAL 41 CO 0.00 0.28 0.91 0.35 0.00 0.00 0.00 175.10 176.64 1yjm n THR 42 N 3.97 0.44 -1.80 3.92 -2.24 -1.26 -3.02 114.28 114.29 1yjm n THR 42 Ca -0.06 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.57 1yjm n THR 42 Cb 0.51 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1yjm n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yjm s ASP 43 N -0.76 6.48 0.53 3.42 -1.08 -1.26 -4.88 116.67 119.12 1yjm s ASP 43 Ca 0.11 2.44 0.20 0.00 -0.52 0.00 0.00 52.55 54.78 1yjm s ASP 43 Cb 0.07 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.35 1yjm s ASP 43 CO 0.09 -1.06 2.11 0.08 0.52 0.00 0.00 175.17 176.91 1yjm h ARG 44 N 10.43 0.00 0.00 4.34 0.11 -2.02 -1.57 114.38 125.68 1yjm h ARG 44 Ca -0.45 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.57 1yjm h ARG 44 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1yjm h ARG 44 CO 0.95 0.00 -0.28 0.87 0.10 0.00 0.00 179.97 181.61 1yjm h LYS 45 N 0.00 0.00 -6.66 0.08 1.57 -2.02 -3.42 116.57 106.11 1yjm h LYS 45 Ca 0.08 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.35 1yjm h LYS 45 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1yjm h LYS 45 CO -0.00 0.28 0.42 0.00 -0.57 0.00 0.00 179.45 179.59 1yjm s SER 47 N -0.35 6.75 0.45 0.00 0.15 -1.26 -4.65 113.70 114.78 1yjm s SER 47 Ca 0.47 1.66 0.19 0.00 0.70 0.00 0.00 55.95 58.96 1yjm s SER 47 Cb -0.27 -2.53 1.06 0.00 -1.71 0.00 0.00 66.02 62.57 1yjm s SER 47 CO 0.34 -0.50 1.95 0.03 1.20 0.00 0.00 173.24 176.26 1yjm h ARG 48 N 1.44 0.00 -2.82 5.44 3.08 -1.91 0.18 114.38 119.79 1yjm h ARG 48 Ca -0.48 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 58.94 1yjm h ARG 48 Cb 1.19 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.83 1yjm h ARG 48 CO 0.61 0.23 -0.49 0.09 -1.07 0.00 0.00 179.97 179.33 1yjm n ASN 49 N -3.96 3.48 0.03 7.04 4.13 -1.26 -3.63 115.26 121.09 1yjm n ASN 49 Ca -0.02 -3.29 -0.21 0.00 1.68 0.00 0.00 54.58 52.74 1yjm n ASN 49 Cb 0.31 -0.77 -0.14 0.00 -1.54 0.00 0.00 39.78 37.63 1yjm n ASN 49 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1yjm h GLN 50 N 5.06 0.28 -4.20 3.52 5.75 -1.11 -3.15 115.11 121.26 1yjm h GLN 50 Ca 0.17 -0.48 -0.16 0.00 -0.15 0.00 0.00 58.65 58.03 1yjm h GLN 50 Cb 0.72 0.18 -0.18 0.00 1.07 0.00 0.00 27.48 29.28 1yjm h GLN 50 CO 0.79 1.23 -0.69 0.14 -2.65 0.00 0.00 178.83 177.64 1yjm s VAL 51 N -2.47 0.24 -0.16 2.39 -7.23 -0.67 -0.64 120.40 111.85 1yjm s VAL 51 Ca -0.17 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1yjm s VAL 51 Cb 0.03 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 1yjm s VAL 51 CO 0.80 -0.76 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.00 1yjm s GLU 52 N -2.82 3.29 -0.15 4.82 2.12 0.22 -1.37 118.70 124.80 1yjm s GLU 52 Ca -0.02 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 1yjm s GLU 52 Cb -0.00 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 1yjm s GLU 52 CO -0.05 0.02 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.12 1yjm s LEU 53 N 0.82 3.07 -0.26 2.70 1.43 0.26 -1.40 118.68 125.31 1yjm s LEU 53 Ca -0.04 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1yjm s LEU 53 Cb -0.15 -1.73 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1yjm s LEU 53 CO 0.00 0.15 -0.03 -0.63 0.23 0.00 0.00 176.35 176.07 1yjm s ILE 54 N 0.46 1.61 0.43 -0.59 1.01 -0.39 -1.16 121.20 122.58 1yjm s ILE 54 Ca -0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 60.65 59.06 1yjm s ILE 54 Cb -0.15 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1yjm s ILE 54 CO 0.03 -0.21 0.84 0.00 0.00 0.00 0.00 174.94 175.61 1yjm s ALA 55 N 1.33 3.24 -0.39 9.38 0.00 -1.26 -0.97 121.76 133.09 1yjm s ALA 55 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1yjm s ALA 55 Cb -0.19 -2.86 0.16 0.00 0.00 0.00 0.00 23.12 20.23 1yjm s ALA 55 CO -0.08 -0.05 0.30 0.34 0.00 0.00 0.00 175.76 176.27 1yjm s ASP 56 N -3.01 1.89 0.48 0.00 2.15 0.62 -4.11 116.67 114.69 1yjm s ASP 56 Ca 0.54 -2.81 0.25 0.00 0.43 0.00 0.00 52.55 50.96 1yjm s ASP 56 Cb -0.10 -0.43 1.30 0.00 -0.30 0.00 0.00 42.92 43.39 1yjm s ASP 56 CO 0.29 -0.21 1.88 -0.65 -0.17 0.00 0.00 175.17 176.32 1yjm h PRO 57 N 6.05 0.18 -0.55 4.34 0.11 -1.82 0.41 132.00 140.71 1yjm h PRO 57 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1yjm h PRO 57 Cb 0.93 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1yjm h PRO 57 CO 0.34 0.12 0.36 1.49 -0.21 0.00 0.00 178.00 180.10 1yjm h GLU 58 N 0.18 0.74 -0.01 1.05 4.81 -1.94 -2.76 114.58 116.65 1yjm h GLU 58 Ca 0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1yjm h GLU 58 Cb 1.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1yjm h GLU 58 CO -0.08 0.50 -0.37 -1.13 -0.73 0.00 0.00 179.01 177.19 1yjm n SER 59 N -4.69 1.84 -3.68 1.04 3.41 -0.89 -4.98 113.62 105.68 1yjm n SER 59 Ca 0.03 -1.40 -0.23 0.00 -0.26 0.00 0.00 58.87 57.01 1yjm n SER 59 Cb 0.03 0.34 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1yjm n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yjm n ARG 60 N -0.06 -5.84 -4.21 4.33 1.74 0.08 -4.99 116.66 107.70 1yjm n ARG 60 Ca 0.11 0.69 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 1yjm n ARG 60 Cb 0.45 -5.49 -0.10 0.00 -1.02 0.00 0.00 32.46 26.30 1yjm n ARG 60 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1yjm s THR 61 N -3.47 0.94 -0.09 0.55 -4.23 -1.04 -3.88 115.64 104.42 1yjm s THR 61 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1yjm s THR 61 Cb -0.11 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1yjm s THR 61 CO 0.79 -0.79 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.31 1yjm s VAL 62 N -3.47 0.96 0.10 2.29 1.01 -0.62 -0.27 120.40 120.40 1yjm s VAL 62 Ca 0.15 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1yjm s VAL 62 Cb 0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1yjm s VAL 62 CO -0.02 0.34 1.05 0.00 0.00 0.00 0.00 175.10 176.48 1yjm s ALA 63 N 1.34 3.30 -0.20 5.51 0.00 -0.14 -1.02 121.76 130.54 1yjm s ALA 63 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1yjm s ALA 63 Cb -0.14 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1yjm s ALA 63 CO -0.04 -0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.53 1yjm s VAL 64 N 0.29 1.49 -0.18 0.00 1.01 0.80 -1.26 120.40 122.55 1yjm s VAL 64 Ca 0.51 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1yjm s VAL 64 Cb -0.26 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1yjm s VAL 64 CO 0.31 0.08 0.06 -0.75 0.00 0.00 0.00 175.10 174.80 1yjm s LYS 65 N 1.45 3.94 -0.05 2.72 2.20 -0.49 -0.59 119.74 128.91 1yjm s LYS 65 Ca -0.02 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 1yjm s LYS 65 Cb -0.17 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1yjm s LYS 65 CO -0.08 0.25 1.14 -1.14 -0.36 0.00 0.00 175.35 175.16 1yjm s GLN 66 N 0.44 4.39 -0.16 4.03 0.74 -0.55 -0.61 119.66 127.95 1yjm s GLN 66 Ca 0.03 1.59 0.05 0.00 0.05 0.00 0.00 55.36 57.08 1yjm s GLN 66 Cb -0.13 -3.52 -0.13 0.00 1.10 0.00 0.00 33.01 30.33 1yjm s GLN 66 CO 0.01 -0.36 -0.07 1.28 -0.55 0.00 0.00 175.29 175.59 1yjm n LEU 67 N 4.91 1.82 -4.69 3.68 4.77 0.18 -0.72 117.00 126.96 1yjm n LEU 67 Ca 0.10 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1yjm n LEU 67 Cb 0.47 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1yjm n LEU 67 CO 0.54 0.61 0.67 -0.83 -1.33 0.00 0.00 177.39 177.05 1yjm s GLY 68 N -5.26 1.66 0.12 -0.72 0.00 -0.37 -4.81 107.32 97.93 1yjm s GLY 68 Ca -0.17 0.32 -0.09 0.00 0.00 0.00 0.00 44.72 44.79 1yjm s GLY 68 CO 0.45 0.76 1.31 -0.24 0.00 0.00 0.00 173.10 175.39 1yjm h VAL 69 N -1.69 1.32 -3.33 1.40 3.04 -1.91 -3.39 116.25 111.69 1yjm h VAL 69 Ca -0.46 -2.15 -0.56 0.00 -1.01 0.00 0.00 66.70 62.53 1yjm h VAL 69 Cb 1.27 2.16 -0.04 0.00 -2.01 0.00 0.00 31.29 32.67 1yjm h VAL 69 CO 0.47 0.66 -0.12 0.20 -1.01 0.00 0.00 177.57 177.78 1yjm s ASN 70 N -7.11 6.73 0.14 3.17 0.01 -1.26 -4.73 114.94 111.89 1yjm s ASN 70 Ca -0.08 0.99 -0.31 0.00 -0.71 0.00 0.00 52.86 52.75 1yjm s ASN 70 Cb 0.09 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.41 1yjm s ASN 70 CO 0.89 0.05 1.37 -2.16 -1.51 0.00 0.00 177.10 175.74 1yjm s PRO 71 N -2.24 4.34 0.43 -0.60 0.04 -1.26 -4.85 135.00 130.85 1yjm s PRO 71 Ca 0.40 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.50 1yjm s PRO 71 Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1yjm s PRO 71 CO 0.20 -0.39 0.68 -1.12 0.04 0.00 0.00 177.00 176.41 1yjm s SER 72 N 0.89 6.16 -0.14 6.66 0.01 -1.26 -1.75 113.70 124.27 1yjm s SER 72 Ca 0.62 0.62 0.01 0.00 1.31 0.00 0.00 55.95 58.51 1yjm s SER 72 Cb -0.37 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1yjm s SER 72 CO 0.33 -0.52 -0.14 -0.89 0.41 0.00 0.00 173.24 172.42 1yjm s THR 73 N -2.56 1.56 -0.34 1.44 2.01 -0.65 -1.07 115.64 116.03 1yjm s THR 73 Ca 0.45 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1yjm s THR 73 Cb -0.10 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.98 1yjm s THR 73 CO 0.40 0.46 0.14 -0.69 -0.69 0.00 0.00 174.62 174.24 1yjm s VAL 74 N 1.42 4.15 0.00 3.82 1.01 -0.12 -1.28 120.40 129.41 1yjm s VAL 74 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1yjm s VAL 74 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1yjm s VAL 74 CO -0.09 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1yjm n GLY 75 N 4.90 2.62 0.70 4.51 0.00 -0.79 -1.78 105.19 115.35 1yjm n GLY 75 Ca -0.13 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1yjm n GLY 75 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yjm n VAL 76 N 0.00 2.21 -4.10 1.61 0.24 -1.26 -4.84 118.33 112.19 1yjm n VAL 76 Ca 0.00 -2.08 -0.32 0.00 -2.04 0.00 0.00 64.34 59.90 1yjm n VAL 76 Cb 0.00 -0.26 -0.16 0.00 -1.47 0.00 0.00 33.84 31.95 1yjm n VAL 76 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1yjm s HIS 77 N -2.89 2.81 0.05 6.34 0.09 -0.73 -5.10 115.29 115.86 1yjm s HIS 77 Ca 0.40 -1.74 -0.30 0.00 -0.00 0.00 0.00 55.06 53.42 1yjm s HIS 77 Cb 0.33 -1.88 -0.04 0.00 -0.00 0.00 0.00 32.58 30.99 1yjm s HIS 77 CO 0.06 -0.81 0.98 -2.00 -0.00 0.00 0.00 174.74 172.97 1yjm s GLU 78 N 1.28 4.62 0.52 1.40 2.12 -1.26 -0.95 118.70 126.43 1yjm s GLU 78 Ca 0.02 1.44 0.08 0.00 0.36 0.00 0.00 54.97 56.88 1yjm s GLU 78 Cb -0.14 -3.42 0.06 0.00 0.26 0.00 0.00 34.13 30.89 1yjm s GLU 78 CO -0.11 0.07 0.72 -0.51 -0.54 0.00 0.00 175.26 174.89 1yjm s LEU 79 N 0.53 3.31 0.25 2.70 1.43 -0.23 -4.98 118.68 121.70 1yjm s LEU 79 Ca 0.50 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1yjm s LEU 79 Cb -0.22 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1yjm s LEU 79 CO 0.29 -1.14 0.02 -0.54 0.23 0.00 0.00 176.35 175.20 1yjm s LYS 80 N -4.57 1.42 0.08 1.70 1.02 -1.26 -4.43 119.74 113.69 1yjm s LYS 80 Ca 0.59 -1.74 -0.33 0.00 0.02 0.00 0.00 55.97 54.52 1yjm s LYS 80 Cb -0.07 -0.66 -0.12 0.00 -0.52 0.00 0.00 37.83 36.46 1yjm s LYS 80 CO 0.37 -0.13 1.78 -2.30 -0.92 0.00 0.00 175.35 174.15 1yjm n PRO 81 N -0.49 2.46 0.00 -1.68 -0.02 -1.26 -1.60 135.00 132.42 1yjm n PRO 81 Ca -0.04 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1yjm n PRO 81 Cb 0.65 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1yjm n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yjm n GLY 82 N 4.04 2.13 3.89 -1.23 0.00 0.11 -5.02 105.19 109.10 1yjm n GLY 82 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1yjm n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjm s LEU 83 N 0.00 3.97 0.13 0.99 1.43 -0.62 -4.86 118.68 119.72 1yjm s LEU 83 Ca 0.00 0.88 0.06 0.00 -1.03 0.00 0.00 54.13 54.04 1yjm s LEU 83 Cb 0.00 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1yjm s LEU 83 CO 0.00 -0.27 -0.15 -0.44 0.23 0.00 0.00 176.35 175.72 1yjm s SER 84 N -3.16 2.14 0.33 2.29 0.01 -1.26 -1.48 113.70 112.57 1yjm s SER 84 Ca 0.47 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.97 1yjm s SER 84 Cb -0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1yjm s SER 84 CO 0.30 -0.12 0.21 0.61 0.41 0.00 0.00 173.24 174.65 1yjm n GLY 85 N 0.49 3.13 3.10 3.44 0.00 0.24 -4.98 105.19 110.62 1yjm n GLY 85 Ca -0.15 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 1yjm n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yjm s SER 86 N -3.20 1.57 -0.15 1.61 0.15 -1.26 -0.14 113.70 112.28 1yjm s SER 86 Ca 0.29 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 1yjm s SER 86 Cb 0.01 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1yjm s SER 86 CO 0.21 0.14 0.03 -0.76 1.20 0.00 0.00 173.24 174.06 1yjm s LEU 87 N -0.45 3.65 0.49 3.45 1.43 -0.19 -4.73 118.68 122.33 1yjm s LEU 87 Ca 0.04 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1yjm s LEU 87 Cb -0.06 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1yjm s LEU 87 CO -0.00 0.23 0.58 -0.44 0.23 0.00 0.00 176.35 176.95 1yjm s SER 88 N 0.01 5.16 0.23 2.29 0.01 -1.26 -1.60 113.70 118.55 1yjm s SER 88 Ca 0.04 -0.78 -0.31 0.00 1.31 0.00 0.00 55.95 56.21 1yjm s SER 88 Cb -0.13 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 1yjm s SER 88 CO 0.01 -0.99 1.69 0.18 0.41 0.00 0.00 173.24 174.55 1yjm n LEU 89 N -1.90 4.13 0.00 2.44 4.77 -1.25 -1.61 117.00 123.57 1yjm n LEU 89 Ca 0.08 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1yjm n LEU 89 Cb 0.61 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1yjm n LEU 89 CO 0.40 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1yjm n GLY 90 N 3.48 3.26 3.76 -0.72 0.00 0.04 -5.01 105.19 110.00 1yjm n GLY 90 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1yjm n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yjm s ASP 91 N -0.81 5.22 -0.03 1.61 1.01 -0.64 -4.67 116.67 118.37 1yjm s ASP 91 Ca 0.00 2.14 0.04 0.00 0.71 0.00 0.00 52.55 55.44 1yjm s ASP 91 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1yjm s ASP 91 CO 0.00 -1.56 -0.14 -0.69 0.21 0.00 0.00 175.17 172.99 1yjm s VAL 92 N -2.03 3.10 -0.32 -1.27 1.01 -1.26 -1.53 120.40 118.10 1yjm s VAL 92 Ca 0.71 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1yjm s VAL 92 Cb -0.24 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1yjm s VAL 92 CO 0.36 0.52 0.14 -0.22 0.00 0.00 0.00 175.10 175.90 1yjm s LEU 93 N -0.95 4.17 -0.34 3.92 2.96 0.41 -1.88 118.68 126.98 1yjm s LEU 93 Ca 0.13 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 1yjm s LEU 93 Cb -0.11 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1yjm s LEU 93 CO 0.02 -0.24 0.75 -0.31 -1.32 0.00 0.00 176.35 175.25 1yjm s TYR 94 N 1.56 3.16 0.22 5.38 1.51 -0.40 -0.61 117.35 128.17 1yjm s TYR 94 Ca 0.03 0.62 -0.08 0.00 -1.01 0.00 0.00 57.07 56.64 1yjm s TYR 94 Cb -0.18 -3.26 0.18 0.00 -0.11 0.00 0.00 41.96 38.59 1yjm s TYR 94 CO 0.05 -0.64 1.83 -0.07 -1.11 0.00 0.00 175.55 175.62 1yjm h LEU 95 N 9.54 1.07 -7.07 -1.29 3.38 -0.89 -1.72 115.31 118.33 1yjm h LEU 95 Ca -0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1yjm h LEU 95 Cb 1.10 -0.27 -0.22 0.00 0.09 0.00 0.00 40.66 41.36 1yjm h LEU 95 CO 0.88 0.88 0.04 0.54 0.09 0.00 0.00 178.44 180.87 1yjm s VAL 96 N -5.79 -0.00 -1.63 1.22 0.11 -1.16 -4.20 120.40 108.96 1yjm s VAL 96 Ca -0.13 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.76 1yjm s VAL 96 Cb 0.16 -0.91 0.13 0.00 -1.53 0.00 0.00 36.38 34.23 1yjm s VAL 96 CO 0.82 0.00 0.86 0.59 -3.33 0.00 0.00 175.10 174.05 1yjm n ASN 97 N 2.81 -3.98 -1.64 3.54 3.02 -0.72 -0.83 115.26 117.47 1yjm n ASN 97 Ca -0.14 -0.89 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1yjm n ASN 97 Cb 0.56 -3.22 -0.01 0.00 -0.61 0.00 0.00 39.78 36.50 1yjm n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yjm n GLY 98 N -1.50 -0.12 3.29 7.41 0.00 -1.26 -5.01 105.19 107.99 1yjm n GLY 98 Ca 0.06 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1yjm n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjm s LEU 99 N -4.17 2.50 -0.55 0.99 1.43 -0.01 -4.96 118.68 113.91 1yjm s LEU 99 Ca 0.00 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1yjm s LEU 99 Cb 0.00 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1yjm s LEU 99 CO 0.00 -0.31 0.53 -1.22 0.23 0.00 0.00 176.35 175.57 1yjm n TYR 100 N -0.28 -2.29 -2.73 0.29 4.02 -1.26 -1.73 117.16 113.18 1yjm n TYR 100 Ca -0.09 0.88 -0.36 0.00 -0.01 0.00 0.00 57.90 58.31 1yjm n TYR 100 Cb 0.61 -3.49 -0.06 0.00 -0.02 0.00 0.00 39.34 36.38 1yjm n TYR 100 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1yjm s PRO 101 N -2.97 4.47 -0.08 -0.72 0.04 -1.26 -2.27 135.00 132.21 1yjm s PRO 101 Ca 0.01 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1yjm s PRO 101 Cb -0.00 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.87 1yjm s PRO 101 CO 0.57 0.16 -0.08 -0.51 0.04 0.00 0.00 177.00 177.18 1yjm s LEU 102 N -2.28 1.34 -0.11 -3.56 1.43 0.22 -4.38 118.68 111.34 1yjm s LEU 102 Ca 0.53 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1yjm s LEU 102 Cb -0.18 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1yjm s LEU 102 CO 0.24 -0.06 0.32 -0.89 0.23 0.00 0.00 176.35 176.19 1yjm s THR 103 N 1.20 5.25 -0.15 5.49 2.01 -0.70 -0.44 115.64 128.30 1yjm s THR 103 Ca -0.05 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1yjm s THR 103 Cb -0.14 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1yjm s THR 103 CO -0.02 0.46 1.04 -0.22 -0.69 0.00 0.00 174.62 175.19 1yjm s LEU 104 N -0.12 4.19 0.26 4.42 2.96 -0.58 -0.31 118.68 129.50 1yjm s LEU 104 Ca 0.19 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.63 1yjm s LEU 104 Cb -0.14 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1yjm s LEU 104 CO 0.07 -0.55 0.03 -0.13 -1.32 0.00 0.00 176.35 174.45 1yjm s ARG 105 N 2.53 1.45 -0.05 1.98 0.52 0.30 -0.78 118.95 124.89 1yjm s ARG 105 Ca 0.47 -1.76 0.03 0.00 -0.52 0.00 0.00 55.73 53.95 1yjm s ARG 105 Cb -0.18 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1yjm s ARG 105 CO 0.14 -0.15 -0.14 -0.46 0.02 0.00 0.00 175.30 174.70 1yjm s TRP 106 N -3.42 1.55 -0.24 -0.53 -0.11 -1.26 -1.32 118.94 113.61 1yjm s TRP 106 Ca 0.32 -0.50 -0.04 0.00 1.22 0.00 0.00 56.10 57.10 1yjm s TRP 106 Cb 0.07 -1.08 0.00 0.00 -1.50 0.00 0.00 33.47 30.96 1yjm s TRP 106 CO 0.12 -0.21 -0.02 -2.00 -4.62 0.00 0.00 176.95 170.21 1yjm s GLU 107 N 0.32 3.22 0.19 5.86 2.12 -0.65 -5.00 118.70 124.76 1yjm s GLU 107 Ca -0.09 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1yjm s GLU 107 Cb -0.13 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.10 1yjm s GLU 107 CO 0.03 -0.28 1.15 -2.00 -0.54 0.00 0.00 175.26 173.61 1yjm s GLU 108 N 1.45 4.55 -0.45 4.30 2.56 -1.26 -1.92 118.70 127.93 1yjm s GLU 108 Ca 0.04 1.81 0.08 0.00 0.00 0.00 0.00 54.97 56.89 1yjm s GLU 108 Cb -0.15 -3.25 0.41 0.00 2.00 0.00 0.00 34.13 33.14 1yjm s GLU 108 CO -0.02 0.01 1.03 1.28 -0.56 0.00 0.00 175.26 176.99 1yjm n LEU 109 N 2.29 3.90 0.00 2.70 4.77 0.15 -4.95 117.00 125.86 1yjm n LEU 109 Ca 0.03 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 50.95 1yjm n LEU 109 Cb 0.45 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1yjm n LEU 109 CO 0.55 2.16 0.00 -1.54 -1.33 0.00 0.00 177.39 177.23