#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjx h LEU 2 N 0.00 0.00 -2.37 2.46 3.38 -1.94 -1.55 115.31 115.28 1mjx h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjx h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mjx h LEU 2 CO 0.00 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.44 1mjx h LEU 3 N 0.00 0.00 -3.46 1.67 3.38 -1.93 -2.92 115.31 112.05 1mjx h LEU 3 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1mjx h LEU 3 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1mjx h LEU 3 CO -0.00 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1mjx n ASN 4 N -3.23 5.09 -4.75 -0.43 3.02 -0.58 -4.95 115.26 109.43 1mjx n ASN 4 Ca -0.02 -2.96 -0.41 0.00 -0.03 0.00 0.00 54.58 51.17 1mjx n ASN 4 Cb 0.16 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1mjx n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mjx s VAL 5 N -2.78 3.37 0.58 2.41 1.01 -1.11 -4.98 120.40 118.90 1mjx s VAL 5 Ca 0.50 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 1mjx s VAL 5 Cb 0.39 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1mjx s VAL 5 CO 0.14 0.29 1.18 -2.84 0.00 0.00 0.00 175.10 173.86 1mjx s PRO 6 N -1.18 3.10 0.31 2.72 0.02 -1.26 -4.78 135.00 133.93 1mjx s PRO 6 Ca 0.47 1.76 0.04 0.00 0.02 0.00 0.00 61.00 63.29 1mjx s PRO 6 Cb -0.34 -1.96 0.64 0.00 0.02 0.00 0.00 34.50 32.86 1mjx s PRO 6 CO 0.42 -1.08 1.87 0.00 -0.33 0.00 0.00 177.00 177.88 1mjx h ALA 7 N 1.00 1.62 -1.17 -1.55 0.00 -1.89 -3.41 119.26 113.86 1mjx h ALA 7 Ca -0.50 0.01 0.29 0.00 0.00 0.00 0.00 54.91 54.70 1mjx h ALA 7 Cb 1.29 -0.20 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 1mjx h ALA 7 CO 0.56 0.17 0.93 0.20 0.00 0.00 0.00 179.25 181.10 1mjx s GLY 8 N -3.53 -0.17 0.15 0.00 0.00 -1.26 -1.65 107.32 100.86 1mjx s GLY 8 Ca -0.11 2.01 -0.11 0.00 0.00 0.00 0.00 44.72 46.51 1mjx s GLY 8 CO 0.80 0.71 1.56 0.50 0.00 0.00 0.00 173.10 176.66 1mjx h LYS 9 N 2.02 0.94 -1.74 2.90 1.57 -1.79 -3.41 116.57 117.07 1mjx h LYS 9 Ca -0.05 -0.38 -0.37 0.00 -1.87 0.00 0.00 60.65 57.98 1mjx h LYS 9 Cb 1.15 -0.05 -0.28 0.00 0.08 0.00 0.00 32.23 33.13 1mjx h LYS 9 CO 0.20 1.04 -0.73 0.34 -0.57 0.00 0.00 179.45 179.73 1mjx s ASP 10 N -6.59 0.18 0.44 0.86 2.15 -0.73 -5.05 116.67 107.92 1mjx s ASP 10 Ca -0.12 -2.29 -0.26 0.00 0.43 0.00 0.00 52.55 50.32 1mjx s ASP 10 Cb 0.12 0.68 -0.09 0.00 -0.30 0.00 0.00 42.92 43.33 1mjx s ASP 10 CO 0.85 -0.13 1.41 -0.76 -0.17 0.00 0.00 175.17 176.37 1mjx s LEU 11 N 0.61 4.15 0.00 -1.34 1.43 -1.22 -1.43 118.68 120.88 1mjx s LEU 11 Ca 0.29 2.88 0.20 0.00 -1.03 0.00 0.00 54.13 56.47 1mjx s LEU 11 Cb -0.01 -3.91 0.54 0.00 0.03 0.00 0.00 46.19 42.84 1mjx s LEU 11 CO -0.11 -1.10 1.45 -0.81 0.23 0.00 0.00 176.35 176.01 1mjx n PRO 12 N -0.09 2.38 0.07 1.29 -0.04 -1.26 -4.86 135.00 132.49 1mjx n PRO 12 Ca 0.04 -2.12 -0.05 0.00 -0.04 0.00 0.00 63.50 61.33 1mjx n PRO 12 Cb 0.42 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1mjx n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mjx h GLU 13 N 3.64 0.00 -2.78 0.54 5.08 -1.76 -3.42 114.58 115.88 1mjx h GLU 13 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1mjx h GLU 13 Cb 0.82 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.68 1mjx h GLU 13 CO 0.00 0.89 -0.81 0.34 -1.00 0.00 0.00 179.01 178.43 1mjx s ASP 14 N -6.64 3.32 0.29 1.42 -1.08 -0.51 -4.38 116.67 109.08 1mjx s ASP 14 Ca 0.01 -1.89 0.09 0.00 -0.52 0.00 0.00 52.55 50.24 1mjx s ASP 14 Cb 0.09 -0.49 -0.06 0.00 -1.46 0.00 0.00 42.92 41.01 1mjx s ASP 14 CO 0.81 -0.36 -0.12 0.27 0.52 0.00 0.00 175.17 176.29 1mjx s ILE 15 N 1.38 2.04 -0.17 4.11 -4.36 -0.82 -1.77 121.20 121.62 1mjx s ILE 15 Ca 0.14 -2.23 -0.05 0.00 -0.26 0.00 0.00 60.65 58.25 1mjx s ILE 15 Cb -0.20 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 1mjx s ILE 15 CO -0.14 -0.34 0.00 -0.31 0.24 0.00 0.00 174.94 174.40 1mjx s TYR 16 N -2.76 3.10 -0.18 1.37 2.02 -0.66 -0.42 117.35 119.82 1mjx s TYR 16 Ca 0.29 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1mjx s TYR 16 Cb 0.01 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1mjx s TYR 16 CO 0.13 0.00 0.03 0.08 -1.57 0.00 0.00 175.55 174.22 1mjx s VAL 17 N 0.45 4.45 -0.34 0.71 1.01 0.57 -4.47 120.40 122.79 1mjx s VAL 17 Ca -0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 1mjx s VAL 17 Cb -0.14 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1mjx s VAL 17 CO 0.02 0.46 0.86 -0.69 0.00 0.00 0.00 175.10 175.74 1mjx s VAL 18 N 0.52 4.69 -0.09 2.92 1.01 0.01 -0.70 120.40 128.76 1mjx s VAL 18 Ca 0.01 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1mjx s VAL 18 Cb -0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1mjx s VAL 18 CO 0.02 -0.39 1.05 -0.63 0.00 0.00 0.00 175.10 175.14 1mjx s ILE 19 N 3.20 4.66 -0.19 2.22 -1.09 -0.31 -1.32 121.20 128.37 1mjx s ILE 19 Ca 0.35 1.94 0.03 0.00 -2.23 0.00 0.00 60.65 60.73 1mjx s ILE 19 Cb -0.13 -4.25 -0.13 0.00 -1.58 0.00 0.00 42.46 36.37 1mjx s ILE 19 CO 0.15 0.01 -0.16 -0.62 -1.23 0.00 0.00 174.94 173.09 1mjx n GLU 20 N 5.03 0.58 -4.02 2.79 1.02 0.04 -0.31 120.64 125.76 1mjx n GLU 20 Ca 0.09 0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 57.09 1mjx n GLU 20 Cb 0.48 -1.40 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 1mjx n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjx s ILE 21 N -2.39 0.88 0.65 -3.67 1.01 -0.41 -4.55 121.20 112.72 1mjx s ILE 21 Ca -0.25 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 1mjx s ILE 21 Cb 0.07 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1mjx s ILE 21 CO 0.47 0.33 1.08 -2.16 0.00 0.00 0.00 174.94 174.67 1mjx s PRO 22 N 1.50 2.96 0.36 2.79 0.05 -1.26 -0.00 135.00 141.40 1mjx s PRO 22 Ca 0.00 1.24 -0.28 0.00 0.05 0.00 0.00 61.00 62.01 1mjx s PRO 22 Cb -0.13 -1.98 -0.11 0.00 0.05 0.00 0.00 34.50 32.33 1mjx s PRO 22 CO -0.05 -1.10 1.45 0.00 0.05 0.00 0.00 177.00 177.34 1mjx s ALA 23 N -2.53 3.57 -1.20 8.56 0.00 -1.25 -3.48 121.76 125.43 1mjx s ALA 23 Ca 0.64 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 54.02 1mjx s ALA 23 Cb -0.18 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.37 1mjx s ALA 23 CO 0.43 -0.94 1.04 0.09 0.00 0.00 0.00 175.76 176.39 1mjx n ASN 24 N 0.72 -5.26 -4.96 0.00 4.13 -0.46 -4.74 115.26 104.69 1mjx n ASN 24 Ca 0.01 -0.50 -0.19 0.00 1.68 0.00 0.00 54.58 55.58 1mjx n ASN 24 Cb 0.40 -4.62 -0.01 0.00 -1.54 0.00 0.00 39.78 34.01 1mjx n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mjx s ALA 25 N -3.30 4.24 0.71 5.41 0.00 -1.23 -5.04 121.76 122.56 1mjx s ALA 25 Ca 0.44 -1.61 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1mjx s ALA 25 Cb -0.19 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1mjx s ALA 25 CO 0.66 -0.13 0.57 -0.25 0.00 0.00 0.00 175.76 176.62 1mjx n ASP 26 N -1.65 -1.01 -3.32 0.00 8.00 -1.26 -4.79 116.55 112.51 1mjx n ASP 26 Ca 0.03 0.61 -0.39 0.00 0.71 0.00 0.00 54.79 55.75 1mjx n ASP 26 Cb 0.59 -1.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 1mjx n ASP 26 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1mjx n PRO 27 N -0.80 3.80 -4.11 -0.24 -0.04 -1.26 -4.81 135.00 127.54 1mjx n PRO 27 Ca 0.10 -2.33 -0.35 0.00 -0.04 0.00 0.00 63.50 60.89 1mjx n PRO 27 Cb 0.50 -2.78 -0.13 0.00 -0.04 0.00 0.00 33.50 31.05 1mjx n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mjx s ILE 28 N 1.82 3.83 -0.44 0.52 1.01 -1.26 -1.78 121.20 124.89 1mjx s ILE 28 Ca 0.68 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 1mjx s ILE 28 Cb 0.18 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1mjx s ILE 28 CO -0.06 0.44 0.49 -0.75 0.00 0.00 0.00 174.94 175.05 1mjx s LYS 29 N 0.98 3.11 0.29 2.79 2.36 -0.09 -4.95 119.74 124.24 1mjx s LYS 29 Ca 0.01 -0.78 0.01 0.00 -2.55 0.00 0.00 55.97 52.67 1mjx s LYS 29 Cb -0.14 -4.00 -0.03 0.00 -1.05 0.00 0.00 37.83 32.60 1mjx s LYS 29 CO 0.01 -0.95 0.48 0.71 1.55 0.00 0.00 175.35 177.15 1mjx s TYR 30 N 2.27 3.48 -0.17 4.03 2.02 -1.26 -0.52 117.35 127.21 1mjx s TYR 30 Ca 0.13 0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.96 1mjx s TYR 30 Cb -0.18 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1mjx s TYR 30 CO 0.13 0.25 0.44 -2.00 -1.57 0.00 0.00 175.55 172.80 1mjx s GLU 31 N -4.03 0.50 -0.15 -0.62 2.12 0.10 -4.73 118.70 111.89 1mjx s GLU 31 Ca 0.38 0.62 -0.27 0.00 0.36 0.00 0.00 54.97 56.07 1mjx s GLU 31 Cb -0.10 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 1mjx s GLU 31 CO 0.33 -0.07 0.90 0.42 -0.54 0.00 0.00 175.26 176.30 1mjx s ILE 32 N 0.32 4.84 -0.00 -3.70 -1.09 -1.26 0.03 121.20 120.34 1mjx s ILE 32 Ca -0.01 1.80 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 1mjx s ILE 32 Cb -0.03 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1mjx s ILE 32 CO -0.00 0.01 1.41 -0.62 -1.23 0.00 0.00 174.94 174.51 1mjx s ASP 33 N 1.12 6.84 0.31 3.58 2.15 -0.36 -4.93 116.67 125.38 1mjx s ASP 33 Ca 0.42 2.12 0.26 0.00 0.43 0.00 0.00 52.55 55.77 1mjx s ASP 33 Cb -0.17 -2.56 0.79 0.00 -0.30 0.00 0.00 42.92 40.68 1mjx s ASP 33 CO 0.14 -0.73 1.75 0.11 -0.17 0.00 0.00 175.17 176.27 1mjx h LYS 34 N 7.90 0.00 0.14 4.34 1.57 -1.95 0.38 116.57 128.95 1mjx h LYS 34 Ca -0.38 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.18 1mjx h LYS 34 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.50 1mjx h LYS 34 CO 0.91 0.00 -1.04 0.93 -0.57 0.00 0.00 179.45 179.68 1mjx h GLU 35 N 0.00 0.30 0.00 3.15 5.08 -1.98 -3.40 114.58 117.74 1mjx h GLU 35 Ca 0.00 -0.52 -0.33 0.00 -1.00 0.00 0.00 59.36 57.51 1mjx h GLU 35 Cb 0.71 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 1mjx h GLU 35 CO 0.00 1.25 -2.05 -1.13 -1.00 0.00 0.00 179.01 176.07 1mjx n SER 36 N -4.04 0.47 0.00 1.42 3.41 -1.15 -4.97 113.62 108.77 1mjx n SER 36 Ca -0.17 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1mjx n SER 36 Cb 0.87 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 1mjx n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjx n GLY 37 N 1.66 1.00 3.90 5.00 0.00 0.13 -4.96 105.19 111.93 1mjx n GLY 37 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1mjx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjx s ALA 38 N -3.49 3.60 -0.30 4.61 0.00 -1.26 -4.68 121.76 120.24 1mjx s ALA 38 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1mjx s ALA 38 Cb 0.00 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 1mjx s ALA 38 CO 0.00 0.22 1.38 -1.17 0.00 0.00 0.00 175.76 176.20 1mjx s LEU 39 N -3.57 3.84 -0.05 0.00 2.96 -1.26 -1.22 118.68 119.36 1mjx s LEU 39 Ca 0.44 1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 55.47 1mjx s LEU 39 Cb -0.11 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1mjx s LEU 39 CO 0.30 -1.17 0.30 -0.36 -1.32 0.00 0.00 176.35 174.10 1mjx s PHE 40 N 4.72 3.67 -0.18 5.38 0.40 0.10 -4.94 117.98 127.12 1mjx s PHE 40 Ca 0.60 0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 57.44 1mjx s PHE 40 Cb -0.18 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1mjx s PHE 40 CO 0.26 0.65 1.76 0.08 0.70 0.00 0.00 175.22 178.67 1mjx s VAL 41 N -0.96 3.50 -0.18 -0.44 1.01 -1.26 -0.73 120.40 121.34 1mjx s VAL 41 Ca 0.20 0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1mjx s VAL 41 Cb -0.15 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 1mjx s VAL 41 CO 0.09 -0.21 0.24 -0.78 0.00 0.00 0.00 175.10 174.44 1mjx h ASP 42 N 11.36 0.00 -5.00 3.32 3.58 -1.12 -3.48 116.42 125.08 1mjx h ASP 42 Ca -0.37 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 56.65 1mjx h ASP 42 Cb 1.18 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.14 1mjx h ASP 42 CO 0.99 1.20 0.28 0.00 -2.88 0.00 0.00 179.24 178.82 1mjx s ARG 43 N -2.26 1.43 -0.37 0.28 1.70 -1.11 -5.02 118.95 113.60 1mjx s ARG 43 Ca -0.23 -0.68 -0.18 0.00 -0.47 0.00 0.00 55.73 54.17 1mjx s ARG 43 Cb 0.03 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 1mjx s ARG 43 CO 0.51 -0.64 0.52 -0.06 -1.08 0.00 0.00 175.30 174.55 1mjx s PHE 44 N -3.71 3.16 0.45 5.89 0.08 -1.26 -0.91 117.98 121.68 1mjx s PHE 44 Ca 0.07 0.07 -0.25 0.00 0.12 0.00 0.00 56.93 56.94 1mjx s PHE 44 Cb -0.03 -2.99 -0.09 0.00 -0.57 0.00 0.00 43.02 39.34 1mjx s PHE 44 CO -0.03 -0.61 1.38 -1.33 -0.10 0.00 0.00 175.22 174.53 1mjx n MET 45 N 5.81 2.13 0.00 0.44 2.81 -0.74 -4.94 117.12 122.63 1mjx n MET 45 Ca -0.05 0.76 0.10 0.00 -1.81 0.00 0.00 57.70 56.71 1mjx n MET 45 Cb 0.49 -2.56 -0.08 0.00 -0.71 0.00 0.00 33.22 30.35 1mjx n MET 45 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1mjx n SER 46 N -0.13 0.85 -4.92 7.83 3.41 -1.26 -4.91 113.62 114.48 1mjx n SER 46 Ca 0.06 -0.81 -0.26 0.00 -0.26 0.00 0.00 58.87 57.60 1mjx n SER 46 Cb 0.41 1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 65.36 1mjx n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mjx s THR 47 N -3.06 4.99 -1.38 6.66 -4.23 -1.26 -4.95 115.64 112.40 1mjx s THR 47 Ca 0.07 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1mjx s THR 47 Cb 0.16 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 70.24 1mjx s THR 47 CO 0.86 -0.67 2.40 0.00 -0.54 0.00 0.00 174.62 176.66 1mjx n ALA 48 N -1.90 6.63 -2.31 3.99 0.00 -1.26 -4.94 120.51 120.72 1mjx n ALA 48 Ca -0.02 -4.01 -0.17 0.00 0.00 0.00 0.00 53.44 49.25 1mjx n ALA 48 Cb 0.55 -2.97 -0.10 0.00 0.00 0.00 0.00 19.45 16.93 1mjx n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mjx s MET 49 N 0.03 1.23 0.11 0.00 -1.94 -1.26 -5.17 119.30 112.30 1mjx s MET 49 Ca 0.54 -1.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.00 1mjx s MET 49 Cb 0.16 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 1mjx s MET 49 CO -0.07 0.13 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.39 1mjx s PHE 50 N -3.13 1.04 0.07 -0.03 -0.12 -1.26 -4.70 117.98 109.85 1mjx s PHE 50 Ca 0.21 -0.79 -0.31 0.00 -0.05 0.00 0.00 56.93 55.99 1mjx s PHE 50 Cb 0.01 -0.57 -0.07 0.00 -0.63 0.00 0.00 43.02 41.76 1mjx s PHE 50 CO 0.05 -0.04 1.48 0.71 -0.05 0.00 0.00 175.22 177.37 1mjx s TYR 51 N -3.16 2.89 -0.67 3.49 1.51 -1.26 -4.87 117.35 115.29 1mjx s TYR 51 Ca 0.11 0.71 0.25 0.00 -1.01 0.00 0.00 57.07 57.13 1mjx s TYR 51 Cb 0.02 -3.77 0.90 0.00 -0.11 0.00 0.00 41.96 38.99 1mjx s TYR 51 CO -0.02 -2.89 1.75 -0.35 -1.11 0.00 0.00 175.55 172.93 1mjx n PRO 52 N 4.83 0.21 -4.24 -1.71 -0.04 -1.26 -1.36 135.00 131.43 1mjx n PRO 52 Ca 0.13 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1mjx n PRO 52 Cb 0.42 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 1mjx n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mjx n ASN 54 N -0.25 2.80 -4.14 0.00 3.02 -1.07 -3.94 115.26 111.66 1mjx n ASN 54 Ca -0.06 1.02 -0.29 0.00 -0.03 0.00 0.00 54.58 55.22 1mjx n ASN 54 Cb 0.63 -1.57 -0.17 0.00 -0.61 0.00 0.00 39.78 38.06 1mjx n ASN 54 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1mjx s TYR 55 N -1.26 2.07 0.00 3.10 5.04 1.00 -0.92 117.35 126.38 1mjx s TYR 55 Ca 0.68 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1mjx s TYR 55 Cb -0.43 -1.42 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1mjx s TYR 55 CO 0.52 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 1mjx n GLY 56 N 3.54 3.09 3.30 8.97 0.00 -0.01 -0.78 105.19 123.31 1mjx n GLY 56 Ca -0.20 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1mjx n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjx s TYR 57 N -0.24 0.53 -0.22 1.61 1.13 -0.44 -0.06 117.35 119.67 1mjx s TYR 57 Ca 0.00 -0.89 -0.15 0.00 -1.41 0.00 0.00 57.07 54.62 1mjx s TYR 57 Cb 0.00 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 1mjx s TYR 57 CO 0.00 -0.69 0.35 0.42 -2.51 0.00 0.00 175.55 173.13 1mjx s ILE 58 N -4.00 5.22 0.76 -3.49 1.01 -0.58 -0.81 121.20 119.31 1mjx s ILE 58 Ca 0.20 0.59 -0.13 0.00 0.00 0.00 0.00 60.65 61.31 1mjx s ILE 58 Cb 0.04 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.88 1mjx s ILE 58 CO 0.01 0.25 1.15 0.21 0.00 0.00 0.00 174.94 176.56 1mjx s ASN 59 N 1.16 4.19 -1.11 3.58 2.47 -1.26 -3.81 114.94 120.15 1mjx s ASN 59 Ca 0.16 2.14 -0.02 0.00 0.42 0.00 0.00 52.86 55.56 1mjx s ASN 59 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1mjx s ASN 59 CO 0.08 -2.26 0.31 1.41 -3.72 0.00 0.00 177.10 172.92 1mjx n HIS 60 N -3.13 -1.17 -4.10 0.43 8.25 -1.26 -4.06 115.22 110.19 1mjx n HIS 60 Ca 0.12 0.26 -0.15 0.00 -0.26 0.00 0.00 57.72 57.69 1mjx n HIS 60 Cb 0.52 -3.31 -0.14 0.00 1.12 0.00 0.00 29.99 28.18 1mjx n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1mjx s THR 61 N -2.91 0.37 -0.18 1.59 -4.23 -1.25 -4.49 115.64 104.54 1mjx s THR 61 Ca 0.15 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1mjx s THR 61 Cb -0.07 -0.35 0.05 0.00 1.34 0.00 0.00 72.50 73.47 1mjx s THR 61 CO 0.19 -0.02 0.00 -0.22 -0.54 0.00 0.00 174.62 174.03 1mjx s LEU 62 N -0.44 1.41 0.00 4.79 2.96 -0.38 -3.61 118.68 123.41 1mjx s LEU 62 Ca -0.01 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 53.02 1mjx s LEU 62 Cb -0.04 -0.73 0.21 0.00 0.50 0.00 0.00 46.19 46.13 1mjx s LEU 62 CO -0.00 -0.26 1.26 -1.54 -1.32 0.00 0.00 176.35 174.49 1mjx n SER 63 N 4.97 0.48 0.20 3.68 3.41 0.86 -4.49 113.62 122.73 1mjx n SER 63 Ca -0.10 -1.69 0.04 0.00 -0.26 0.00 0.00 58.87 56.87 1mjx n SER 63 Cb 0.47 -0.93 0.41 0.00 -0.26 0.00 0.00 64.21 63.91 1mjx n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1mjx h LEU 64 N 0.00 0.00 -2.20 1.04 -0.00 -1.98 -2.75 115.31 109.42 1mjx h LEU 64 Ca -0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.44 1mjx h LEU 64 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 1mjx h LEU 64 CO 0.33 0.33 0.04 -0.46 -0.00 0.00 0.00 178.44 178.68 1mjx n ASN 65 N -3.96 3.07 0.00 -0.43 0.23 -1.26 -4.89 115.26 108.02 1mjx n ASN 65 Ca -0.02 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 51.60 1mjx n ASN 65 Cb 0.39 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1mjx n ASN 65 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mjx n GLY 66 N 0.20 1.29 3.45 4.83 0.00 -1.04 -5.04 105.19 108.89 1mjx n GLY 66 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1mjx n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mjx s ASP 67 N -3.08 2.78 0.83 1.61 1.01 -1.26 -4.81 116.67 113.75 1mjx s ASP 67 Ca 0.00 -1.25 -0.12 0.00 0.71 0.00 0.00 52.55 51.89 1mjx s ASP 67 Cb 0.00 -0.17 0.09 0.00 1.01 0.00 0.00 42.92 43.85 1mjx s ASP 67 CO 0.00 -0.41 1.15 -2.16 0.21 0.00 0.00 175.17 173.95 1mjx s PRO 68 N -3.76 1.65 0.21 8.23 0.04 -1.24 -0.10 135.00 140.03 1mjx s PRO 68 Ca 0.32 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 1mjx s PRO 68 Cb 0.05 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 1mjx s PRO 68 CO 0.13 -2.15 1.64 0.08 0.04 0.00 0.00 177.00 176.74 1mjx s VAL 69 N -2.53 2.25 0.10 -0.36 1.01 -1.26 -4.70 120.40 114.91 1mjx s VAL 69 Ca 0.67 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1mjx s VAL 69 Cb -0.23 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1mjx s VAL 69 CO 0.54 0.02 0.26 1.51 0.00 0.00 0.00 175.10 177.42 1mjx s ASP 70 N 1.04 6.36 -0.03 3.32 1.47 -1.26 -1.53 116.67 126.04 1mjx s ASP 70 Ca 0.71 0.26 -0.03 0.00 1.18 0.00 0.00 52.55 54.67 1mjx s ASP 70 Cb -0.47 -1.95 0.01 0.00 -0.34 0.00 0.00 42.92 40.17 1mjx s ASP 70 CO 0.34 0.11 0.09 -0.69 0.68 0.00 0.00 175.17 175.70 1mjx s VAL 71 N -1.62 -0.01 -0.18 2.11 1.01 0.91 -1.93 120.40 120.70 1mjx s VAL 71 Ca 0.35 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1mjx s VAL 71 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1mjx s VAL 71 CO 0.28 0.01 0.07 -0.76 0.00 0.00 0.00 175.10 174.70 1mjx s LEU 72 N 0.16 3.90 -0.35 3.92 1.43 -0.24 -0.83 118.68 126.67 1mjx s LEU 72 Ca -0.01 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1mjx s LEU 72 Cb -0.02 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 44.32 1mjx s LEU 72 CO -0.00 0.20 0.11 -0.69 0.23 0.00 0.00 176.35 176.19 1mjx s VAL 73 N 0.23 1.52 0.21 -1.59 1.01 -0.10 -1.39 120.40 120.29 1mjx s VAL 73 Ca 0.05 -1.97 -0.32 0.00 0.00 0.00 0.00 61.98 59.74 1mjx s VAL 73 Cb -0.12 -2.12 -0.13 0.00 0.00 0.00 0.00 36.38 34.01 1mjx s VAL 73 CO 0.00 -0.68 1.54 -0.81 0.00 0.00 0.00 175.10 175.15 1mjx n PRO 74 N 4.40 2.26 -4.17 2.72 -0.04 -1.26 -2.61 135.00 136.29 1mjx n PRO 74 Ca 0.02 0.81 -0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1mjx n PRO 74 Cb 0.41 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 1mjx n PRO 74 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mjx s THR 75 N 0.52 0.49 0.31 0.52 -4.23 -1.26 -4.43 115.64 107.56 1mjx s THR 75 Ca 0.73 -1.92 0.24 0.00 -1.18 0.00 0.00 61.69 59.56 1mjx s THR 75 Cb -0.63 -1.86 0.24 0.00 1.34 0.00 0.00 72.50 71.59 1mjx s THR 75 CO 0.42 -0.69 1.94 1.55 -0.54 0.00 0.00 174.62 177.30 1mjx h PRO 76 N 2.90 0.00 -3.89 3.99 0.13 -2.03 -3.43 132.00 129.67 1mjx h PRO 76 Ca -0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 1mjx h PRO 76 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 1mjx h PRO 76 CO 0.63 0.20 -0.72 0.71 -0.23 0.00 0.00 178.00 178.60 1mjx s TYR 77 N -4.00 0.14 0.50 1.56 2.02 -1.26 -5.14 117.35 111.17 1mjx s TYR 77 Ca -0.02 -0.19 -0.23 0.00 -0.37 0.00 0.00 57.07 56.26 1mjx s TYR 77 Cb 0.12 -0.10 -0.06 0.00 -0.40 0.00 0.00 41.96 41.52 1mjx s TYR 77 CO 0.63 -0.06 1.39 -2.14 -1.57 0.00 0.00 175.55 173.79 1mjx s PRO 78 N -0.51 3.41 0.28 -1.71 0.02 -1.26 -5.01 135.00 130.21 1mjx s PRO 78 Ca -0.05 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.32 1mjx s PRO 78 Cb -0.04 -2.45 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 1mjx s PRO 78 CO -0.00 -1.01 0.43 -0.51 -0.33 0.00 0.00 177.00 175.58 1mjx s LEU 79 N -3.14 4.21 0.29 -5.54 1.43 -1.26 -5.00 118.68 109.67 1mjx s LEU 79 Ca 0.66 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.69 1mjx s LEU 79 Cb -0.42 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 1mjx s LEU 79 CO 0.52 -0.15 1.25 -1.10 0.23 0.00 0.00 176.35 177.10 1mjx s GLN 80 N -4.07 4.44 0.35 1.70 -1.52 -1.26 -4.47 119.66 114.83 1mjx s GLN 80 Ca 0.36 2.07 -0.29 0.00 -1.95 0.00 0.00 55.36 55.55 1mjx s GLN 80 Cb -0.09 -3.13 -0.11 0.00 -0.22 0.00 0.00 33.01 29.46 1mjx s GLN 80 CO 0.32 -0.09 1.48 -2.14 -0.25 0.00 0.00 175.29 174.60 1mjx s PRO 81 N -1.31 4.15 0.00 2.91 0.02 -1.26 -1.51 135.00 138.00 1mjx s PRO 81 Ca 0.49 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1mjx s PRO 81 Cb -0.37 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1mjx s PRO 81 CO 0.46 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1mjx n GLY 82 N 0.85 1.27 3.92 0.52 0.00 0.57 -5.00 105.19 107.32 1mjx n GLY 82 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1mjx n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjx s SER 83 N -3.13 6.22 -0.12 1.61 1.04 -0.57 -4.82 113.70 113.94 1mjx s SER 83 Ca 0.00 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1mjx s SER 83 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1mjx s SER 83 CO 0.00 -0.53 -0.22 -0.69 0.98 0.00 0.00 173.24 172.78 1mjx s VAL 84 N -2.63 2.15 -0.06 5.02 1.01 -1.26 -1.16 120.40 123.47 1mjx s VAL 84 Ca 0.46 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1mjx s VAL 84 Cb -0.10 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1mjx s VAL 84 CO 0.42 0.55 -0.16 -0.51 0.00 0.00 0.00 175.10 175.41 1mjx s ILE 85 N 0.50 1.38 -0.03 2.22 1.10 0.13 -4.95 121.20 121.55 1mjx s ILE 85 Ca -0.14 -0.65 -0.30 0.00 -0.51 0.00 0.00 60.65 59.05 1mjx s ILE 85 Cb -0.17 -1.22 -0.03 0.00 0.15 0.00 0.00 42.46 41.18 1mjx s ILE 85 CO 0.05 0.41 1.11 -0.60 -2.11 0.00 0.00 174.94 173.80 1mjx s ARG 86 N 0.41 4.43 0.18 3.50 3.52 -1.26 -0.31 118.95 129.41 1mjx s ARG 86 Ca -0.12 1.58 -0.08 0.00 -0.13 0.00 0.00 55.73 56.98 1mjx s ARG 86 Cb -0.15 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1mjx s ARG 86 CO 0.04 -0.29 0.27 0.00 -0.81 0.00 0.00 175.30 174.51 1mjx s ARG 88 N -4.01 1.61 0.44 0.00 1.70 0.17 -1.94 118.95 116.92 1mjx s ARG 88 Ca 0.22 -0.45 -0.24 0.00 -0.47 0.00 0.00 55.73 54.79 1mjx s ARG 88 Cb 0.04 -1.36 -0.08 0.00 -0.57 0.00 0.00 34.95 32.98 1mjx s ARG 88 CO 0.03 0.10 1.23 -1.25 -1.08 0.00 0.00 175.30 174.33 1mjx s PRO 89 N 0.42 3.81 0.00 3.89 0.04 -1.26 -1.64 135.00 140.26 1mjx s PRO 89 Ca -0.10 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1mjx s PRO 89 Cb -0.14 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1mjx s PRO 89 CO 0.03 -0.56 0.00 1.33 0.04 0.00 0.00 177.00 177.84 1mjx n VAL 90 N -0.24 0.00 0.00 -0.36 0.24 0.40 -4.91 118.33 113.46 1mjx n VAL 90 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1mjx n VAL 90 Cb 0.46 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 1mjx n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mjx n GLY 91 N 0.14 -0.70 3.21 7.63 0.00 -1.12 -2.30 105.19 112.04 1mjx n GLY 91 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1mjx n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjx s VAL 92 N -2.00 -0.02 -0.29 1.61 0.11 -0.72 -1.28 120.40 117.81 1mjx s VAL 92 Ca 0.00 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 58.95 1mjx s VAL 92 Cb 0.00 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1mjx s VAL 92 CO 0.00 0.03 0.50 -0.22 -3.33 0.00 0.00 175.10 172.08 1mjx s LEU 93 N 0.93 4.15 -0.17 2.54 2.96 -0.34 0.85 118.68 129.61 1mjx s LEU 93 Ca -0.06 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1mjx s LEU 93 Cb -0.07 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1mjx s LEU 93 CO -0.07 -0.34 0.07 -0.54 -1.32 0.00 0.00 176.35 174.15 1mjx s LYS 94 N 2.32 3.86 0.19 1.98 -0.14 0.00 -0.87 119.74 127.08 1mjx s LYS 94 Ca 0.20 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1mjx s LYS 94 Cb -0.16 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 1mjx s LYS 94 CO 0.11 0.37 0.06 0.00 -0.76 0.00 0.00 175.35 175.13 1mjx s MET 95 N 0.10 1.15 -0.06 1.68 0.23 -0.20 0.23 119.30 122.44 1mjx s MET 95 Ca 0.06 -1.58 0.06 0.00 -1.03 0.00 0.00 55.69 53.20 1mjx s MET 95 Cb -0.12 -0.03 -0.01 0.00 -1.53 0.00 0.00 34.83 33.14 1mjx s MET 95 CO 0.00 -0.25 -0.24 0.99 -2.03 0.00 0.00 175.02 173.49 1mjx s THR 96 N -3.87 2.00 0.52 3.16 2.01 0.20 -0.67 115.64 118.98 1mjx s THR 96 Ca 0.30 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1mjx s THR 96 Cb 0.07 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1mjx s THR 96 CO 0.07 0.56 0.28 1.51 -0.69 0.00 0.00 174.62 176.34 1mjx s ASP 97 N -0.10 4.49 0.46 3.53 -4.77 -1.15 0.11 116.67 119.24 1mjx s ASP 97 Ca -0.05 -1.32 0.34 0.00 -3.30 0.00 0.00 52.55 48.22 1mjx s ASP 97 Cb -0.14 0.31 1.52 0.00 -1.09 0.00 0.00 42.92 43.52 1mjx s ASP 97 CO 0.04 -0.96 1.59 1.05 0.70 0.00 0.00 175.17 177.58 1mjx h GLU 98 N 0.99 0.02 -2.48 2.11 9.09 -1.87 -2.78 114.58 119.66 1mjx h GLU 98 Ca -0.39 -0.00 -0.80 0.00 0.05 0.00 0.00 59.36 58.22 1mjx h GLU 98 Cb 1.30 -0.00 -0.28 0.00 -1.65 0.00 0.00 28.75 28.11 1mjx h GLU 98 CO 0.63 0.01 0.87 0.00 0.05 0.00 0.00 179.01 180.57 1mjx n ALA 99 N -2.57 5.70 -0.82 1.06 0.00 -1.26 -5.05 120.51 117.56 1mjx n ALA 99 Ca 0.40 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 49.16 1mjx n ALA 99 Cb 1.60 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1mjx n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjx n GLY 100 N 0.41 0.77 3.57 0.00 0.00 -1.05 -4.78 105.19 104.12 1mjx n GLY 100 Ca 0.39 -0.84 -0.47 0.00 0.00 0.00 0.00 46.02 45.10 1mjx n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjx n GLU 101 N -0.10 1.18 -4.57 1.61 1.02 -1.26 -2.93 120.64 115.59 1mjx n GLU 101 Ca 0.00 0.42 -0.24 0.00 -0.02 0.00 0.00 57.16 57.32 1mjx n GLU 101 Cb 0.00 -1.85 -0.14 0.00 -0.02 0.00 0.00 31.44 29.43 1mjx n GLU 101 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1mjx s ASP 102 N -0.24 2.24 0.07 1.62 2.15 0.15 -4.86 116.67 117.80 1mjx s ASP 102 Ca 0.68 -0.50 0.09 0.00 0.43 0.00 0.00 52.55 53.25 1mjx s ASP 102 Cb -0.80 -0.18 -0.03 0.00 -0.30 0.00 0.00 42.92 41.61 1mjx s ASP 102 CO 0.55 0.13 -0.24 0.00 -0.17 0.00 0.00 175.17 175.43 1mjx s ALA 103 N -0.80 2.37 -0.12 3.66 0.00 -1.26 -1.03 121.76 124.58 1mjx s ALA 103 Ca 0.06 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 1mjx s ALA 103 Cb -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1mjx s ALA 103 CO 0.02 0.55 -0.10 0.15 0.00 0.00 0.00 175.76 176.37 1mjx s LYS 104 N -1.49 1.81 0.69 0.00 -0.14 -0.05 -4.72 119.74 115.83 1mjx s LYS 104 Ca 0.13 -0.37 -0.11 0.00 -1.36 0.00 0.00 55.97 54.27 1mjx s LYS 104 Cb -0.10 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 1mjx s LYS 104 CO 0.04 -0.25 1.06 -0.51 -0.76 0.00 0.00 175.35 174.93 1mjx s LEU 105 N 1.61 3.14 -0.16 3.17 1.43 -0.81 -1.20 118.68 125.85 1mjx s LEU 105 Ca 0.05 1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1mjx s LEU 105 Cb -0.13 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1mjx s LEU 105 CO -0.09 -1.37 -0.08 -0.69 0.23 0.00 0.00 176.35 174.35 1mjx s VAL 106 N -3.07 3.37 0.03 -1.59 1.01 -0.41 -1.08 120.40 118.67 1mjx s VAL 106 Ca 0.58 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1mjx s VAL 106 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1mjx s VAL 106 CO 0.55 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 176.01 1mjx s ALA 107 N 0.62 1.11 0.18 5.51 0.00 -0.49 -0.45 121.76 128.24 1mjx s ALA 107 Ca -0.05 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1mjx s ALA 107 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1mjx s ALA 107 CO 0.03 0.21 0.01 0.14 0.00 0.00 0.00 175.76 176.15 1mjx s VAL 108 N -0.80 3.78 0.28 0.00 -7.23 -0.65 -4.08 120.40 111.70 1mjx s VAL 108 Ca 0.01 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1mjx s VAL 108 Cb -0.07 -2.91 -0.14 0.00 0.56 0.00 0.00 36.38 33.82 1mjx s VAL 108 CO 0.01 -0.13 1.19 -2.65 -0.31 0.00 0.00 175.10 173.21 1mjx n PRO 109 N -0.19 1.68 -1.71 4.82 -0.02 -1.26 -0.66 135.00 137.66 1mjx n PRO 109 Ca -0.09 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 1mjx n PRO 109 Cb 0.55 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1mjx n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mjx s HIS 110 N -0.75 2.59 0.33 6.00 2.46 -0.64 -4.66 115.29 120.62 1mjx s HIS 110 Ca 0.61 1.55 0.23 0.00 0.47 0.00 0.00 55.06 57.93 1mjx s HIS 110 Cb -0.67 -3.17 1.15 0.00 -0.13 0.00 0.00 32.58 29.75 1mjx s HIS 110 CO 0.57 -1.74 1.95 0.77 -2.47 0.00 0.00 174.74 173.83 1mjx h SER 111 N -0.06 0.00 0.66 9.88 0.02 -1.92 -0.32 113.55 121.81 1mjx h SER 111 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1mjx h SER 111 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1mjx h SER 111 CO 0.54 0.21 0.00 0.07 -1.14 0.00 0.00 176.83 176.50 1mjx h LYS 112 N 0.00 0.00 0.00 3.45 2.10 -1.96 -3.11 116.57 117.05 1mjx h LYS 112 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.33 1mjx h LYS 112 Cb 0.52 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.79 1mjx h LYS 112 CO 0.03 0.00 -1.93 1.28 -2.00 0.00 0.00 179.45 176.83 1mjx n LEU 113 N -2.88 0.58 -3.55 7.07 4.32 -0.15 -5.00 117.00 117.38 1mjx n LEU 113 Ca -0.00 0.28 -0.12 0.00 -0.02 0.00 0.00 56.01 56.14 1mjx n LEU 113 Cb 0.22 0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 42.25 1mjx n LEU 113 CO 0.23 0.42 0.67 -0.55 -1.22 0.00 0.00 177.39 176.93 1mjx s SER 114 N -5.87 -0.45 0.00 -1.43 0.15 -1.10 -5.04 113.70 99.95 1mjx s SER 114 Ca -0.06 0.44 0.22 0.00 0.70 0.00 0.00 55.95 57.25 1mjx s SER 114 Cb 0.07 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 1mjx s SER 114 CO 0.83 -0.45 1.11 0.29 1.20 0.00 0.00 173.24 176.21 1mjx n LYS 115 N 0.66 1.68 0.00 5.44 4.01 -1.26 -3.92 118.16 124.77 1mjx n LYS 115 Ca -0.13 -1.35 0.08 0.00 -0.51 0.00 0.00 58.31 56.40 1mjx n LYS 115 Cb 0.58 -1.43 0.38 0.00 -0.51 0.00 0.00 35.03 34.05 1mjx n LYS 115 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1mjx n GLU 116 N 0.54 0.16 0.00 1.97 1.02 -1.26 -2.61 120.64 120.46 1mjx n GLU 116 Ca 0.11 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1mjx n GLU 116 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1mjx n GLU 116 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1mjx n TYR 117 N -1.35 0.00 -0.12 -0.32 4.01 -1.26 -4.82 117.16 113.30 1mjx n TYR 117 Ca 0.06 -0.38 -0.07 0.00 -0.16 0.00 0.00 57.90 57.36 1mjx n TYR 117 Cb 0.14 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1mjx n TYR 117 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1mjx h ASP 118 N 0.00 -0.90 0.10 7.72 5.19 -1.81 0.03 116.42 126.75 1mjx h ASP 118 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1mjx h ASP 118 Cb 0.41 0.44 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1mjx h ASP 118 CO 0.00 -0.28 0.00 0.00 -3.12 0.00 0.00 179.24 175.84 1mjx n HIS 119 N -5.40 0.00 -3.08 4.55 1.44 -1.26 -4.47 115.22 107.00 1mjx n HIS 119 Ca 0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.29 1mjx n HIS 119 Cb 0.32 -0.36 -0.06 0.00 0.12 0.00 0.00 29.99 30.00 1mjx n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1mjx s ILE 120 N -2.73 4.77 -0.06 0.61 1.01 -0.00 -4.82 121.20 119.98 1mjx s ILE 120 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.75 1mjx s ILE 120 Cb 0.03 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 1mjx s ILE 120 CO 0.06 -0.73 0.09 0.29 0.00 0.00 0.00 174.94 174.65 1mjx n LYS 121 N 6.42 1.83 -2.96 2.79 4.01 -1.26 -5.03 118.16 123.95 1mjx n LYS 121 Ca -0.02 -0.03 -0.08 0.00 -0.51 0.00 0.00 58.31 57.67 1mjx n LYS 121 Cb 0.47 -1.22 -0.01 0.00 -0.51 0.00 0.00 35.03 33.76 1mjx n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1mjx n ASP 122 N -2.16 -1.03 0.14 4.39 -0.08 -1.26 -4.82 116.55 111.74 1mjx n ASP 122 Ca -0.10 -2.13 0.01 0.00 -1.51 0.00 0.00 54.79 51.06 1mjx n ASP 122 Cb 0.61 1.83 0.17 0.00 2.34 0.00 0.00 41.12 46.06 1mjx n ASP 122 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1mjx h VAL 123 N 1.63 1.23 0.00 5.18 3.04 -1.76 0.18 116.25 125.75 1mjx h VAL 123 Ca -0.18 -2.13 0.00 0.00 -1.01 0.00 0.00 66.70 63.38 1mjx h VAL 123 Cb 0.75 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1mjx h VAL 123 CO 0.24 0.57 0.00 0.59 -1.01 0.00 0.00 177.57 177.96 1mjx n ASN 124 N -3.57 0.00 0.07 3.17 3.02 -1.26 -3.04 115.26 113.65 1mjx n ASN 124 Ca -0.00 0.48 0.12 0.00 -0.03 0.00 0.00 54.58 55.15 1mjx n ASN 124 Cb 0.64 -0.49 0.23 0.00 -0.61 0.00 0.00 39.78 39.55 1mjx n ASN 124 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1mjx h ASP 125 N 0.00 0.00 -3.87 6.41 3.32 -1.02 -3.46 116.42 117.80 1mjx h ASP 125 Ca 0.00 -0.15 -0.51 0.00 0.02 0.00 0.00 57.03 56.38 1mjx h ASP 125 Cb 0.43 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.02 1mjx h ASP 125 CO 0.00 0.08 0.54 -0.76 -1.72 0.00 0.00 179.24 177.38 1mjx s LEU 126 N -4.35 4.40 0.34 1.55 1.43 -1.17 -4.86 118.68 116.02 1mjx s LEU 126 Ca 0.07 2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 55.34 1mjx s LEU 126 Cb 0.13 -3.75 -0.12 0.00 0.03 0.00 0.00 46.19 42.47 1mjx s LEU 126 CO 0.69 -0.44 1.17 -2.65 0.23 0.00 0.00 176.35 175.36 1mjx n PRO 127 N 0.72 1.80 -0.07 1.29 -0.02 -1.26 -4.88 135.00 132.58 1mjx n PRO 127 Ca 0.01 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1mjx n PRO 127 Cb 0.44 -2.16 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1mjx n PRO 127 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjx h GLU 128 N 2.23 0.72 -0.17 -0.52 3.07 -1.94 -2.73 114.58 115.25 1mjx h GLU 128 Ca -0.44 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.12 1mjx h GLU 128 Cb 1.31 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 1mjx h GLU 128 CO 0.61 0.89 0.09 1.25 -1.40 0.00 0.00 179.01 180.46 1mjx h LEU 129 N 0.63 0.21 -0.81 1.33 5.85 -1.98 0.14 115.31 120.67 1mjx h LEU 129 Ca 0.09 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1mjx h LEU 129 Cb 0.74 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1mjx h LEU 129 CO 0.06 0.23 0.52 0.25 -0.34 0.00 0.00 178.44 179.16 1mjx h LEU 130 N 0.17 0.95 -0.74 2.25 5.85 -1.90 0.19 115.31 122.08 1mjx h LEU 130 Ca 0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1mjx h LEU 130 Cb 0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1mjx h LEU 130 CO -0.01 0.71 0.30 0.11 -0.34 0.00 0.00 178.44 179.20 1mjx h LYS 131 N 1.10 1.10 -0.36 1.25 1.57 -1.23 -1.15 116.57 118.86 1mjx h LYS 131 Ca 0.29 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1mjx h LYS 131 Cb -0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1mjx h LYS 131 CO -0.06 0.90 -0.15 0.00 -0.57 0.00 0.00 179.45 179.58 1mjx h ALA 132 N 1.15 0.50 -0.68 3.86 0.00 0.29 -2.13 119.26 122.24 1mjx h ALA 132 Ca 0.25 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1mjx h ALA 132 Cb 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1mjx h ALA 132 CO -0.02 0.40 -0.03 1.96 0.00 0.00 0.00 179.25 181.56 1mjx h GLN 133 N 0.51 0.09 0.05 0.00 4.20 -0.54 -0.89 115.11 118.53 1mjx h GLN 133 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1mjx h GLN 133 Cb 0.68 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1mjx h GLN 133 CO 0.05 0.06 -0.02 0.82 -0.67 0.00 0.00 178.83 179.06 1mjx h ILE 134 N 0.09 1.15 -0.22 2.54 2.04 -0.97 0.31 117.51 122.44 1mjx h ILE 134 Ca 0.36 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1mjx h ILE 134 Cb 0.60 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1mjx h ILE 134 CO -0.61 0.16 -0.26 0.00 0.00 0.00 0.00 178.15 177.44 1mjx h ALA 135 N 0.59 -0.19 -0.82 1.87 0.00 -1.41 0.18 119.26 119.48 1mjx h ALA 135 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mjx h ALA 135 Cb 0.32 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1mjx h ALA 135 CO 0.01 -0.70 0.54 1.25 0.00 0.00 0.00 179.25 180.34 1mjx h HIS 136 N -0.28 0.89 0.23 0.00 -0.00 -1.05 -1.08 115.15 113.86 1mjx h HIS 136 Ca 0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1mjx h HIS 136 Cb 0.48 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1mjx h HIS 136 CO -0.41 0.46 -0.11 0.35 -0.00 0.00 0.00 177.93 178.22 1mjx h PHE 137 N 0.87 -0.28 0.00 5.26 3.57 0.65 -2.61 116.94 124.41 1mjx h PHE 137 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1mjx h PHE 137 Cb 0.28 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1mjx h PHE 137 CO -0.00 -0.01 -0.03 0.74 -2.23 0.00 0.00 178.31 176.78 1mjx h PHE 138 N -0.54 0.00 0.00 0.41 0.04 -0.62 -0.63 116.94 115.61 1mjx h PHE 138 Ca -0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 1mjx h PHE 138 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1mjx h PHE 138 CO 0.00 0.03 -0.28 0.93 -0.60 0.00 0.00 178.31 178.39 1mjx h GLU 139 N 0.00 0.00 0.00 1.51 5.08 -0.96 -3.37 114.58 116.83 1mjx h GLU 139 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjx h GLU 139 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mjx h GLU 139 CO 0.00 0.28 -0.36 0.72 -1.00 0.00 0.00 179.01 178.66 1mjx n HIS 140 N -3.18 0.00 0.28 4.33 8.25 -0.87 -4.61 115.22 119.41 1mjx n HIS 140 Ca 0.03 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.64 1mjx n HIS 140 Cb 0.63 -0.01 0.75 0.00 1.12 0.00 0.00 29.99 32.48 1mjx n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1mjx h TYR 141 N 0.00 0.00 -0.61 4.41 -0.00 -1.31 -1.62 116.97 117.85 1mjx h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1mjx h TYR 141 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.78 1mjx h TYR 141 CO 0.00 0.07 0.00 1.63 -0.00 0.00 0.00 178.16 179.86 1mjx n LYS 142 N -3.29 3.52 -0.25 0.10 5.02 -1.26 -4.34 118.16 117.65 1mjx n LYS 142 Ca -0.01 -2.80 0.13 0.00 -2.02 0.00 0.00 58.31 53.62 1mjx n LYS 142 Cb 0.27 -1.80 0.41 0.00 -0.02 0.00 0.00 35.03 33.89 1mjx n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1mjx h ASP 143 N 3.79 0.58 -0.17 4.39 3.32 -1.61 0.39 116.42 127.11 1mjx h ASP 143 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1mjx h ASP 143 Cb 1.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1mjx h ASP 143 CO 0.19 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 178.17 1mjx n LEU 144 N -4.55 2.72 -3.06 1.55 4.77 -1.26 -4.37 117.00 112.80 1mjx n LEU 144 Ca 0.17 -1.04 -0.25 0.00 -0.03 0.00 0.00 56.01 54.85 1mjx n LEU 144 Cb 0.51 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1mjx n LEU 144 CO 0.30 0.52 0.06 -0.62 -1.33 0.00 0.00 177.39 176.32 1mjx n GLU 145 N 1.06 2.68 -2.58 3.23 1.02 0.13 -5.01 120.64 121.17 1mjx n GLU 145 Ca 0.17 -4.54 -0.22 0.00 -0.02 0.00 0.00 57.16 52.55 1mjx n GLU 145 Cb 0.52 -2.12 0.05 0.00 -0.02 0.00 0.00 31.44 29.87 1mjx n GLU 145 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1mjx s LYS 146 N -3.07 2.39 0.00 3.49 1.02 -1.25 -3.92 119.74 118.40 1mjx s LYS 146 Ca 0.46 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1mjx s LYS 146 Cb 0.27 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1mjx s LYS 146 CO -0.11 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 1mjx n GLY 147 N -2.48 1.03 3.53 -3.33 0.00 -1.26 -5.07 105.19 97.61 1mjx n GLY 147 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1mjx n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjx s LYS 148 N -0.20 2.15 -0.20 1.61 -0.14 -1.25 -4.91 119.74 116.80 1mjx s LYS 148 Ca 0.00 -0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 1mjx s LYS 148 Cb 0.00 -2.28 0.15 0.00 -1.68 0.00 0.00 37.83 34.02 1mjx s LYS 148 CO 0.00 0.53 1.15 1.67 -0.76 0.00 0.00 175.35 177.94 1mjx s TRP 149 N -1.08 -0.22 -0.02 3.18 1.48 -1.26 -4.85 118.94 116.17 1mjx s TRP 149 Ca 0.18 0.34 0.03 0.00 -1.06 0.00 0.00 56.10 55.60 1mjx s TRP 149 Cb -0.11 0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 32.67 1mjx s TRP 149 CO 0.10 -0.22 -0.12 0.08 -4.06 0.00 0.00 176.95 172.72 1mjx s VAL 150 N -1.32 0.97 0.04 -0.66 1.01 -1.26 -2.75 120.40 116.43 1mjx s VAL 150 Ca 0.04 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1mjx s VAL 150 Cb -0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1mjx s VAL 150 CO -0.03 0.28 -0.20 -0.75 0.00 0.00 0.00 175.10 174.40 1mjx s LYS 151 N -0.13 1.33 -0.26 2.72 2.47 0.31 -4.75 119.74 121.42 1mjx s LYS 151 Ca 0.02 -0.90 -0.09 0.00 -1.56 0.00 0.00 55.97 53.44 1mjx s LYS 151 Cb -0.06 -1.42 -0.04 0.00 -1.46 0.00 0.00 37.83 34.85 1mjx s LYS 151 CO 0.00 0.36 0.13 0.08 0.16 0.00 0.00 175.35 176.08 1mjx s VAL 152 N -0.78 4.79 -0.07 4.02 1.01 -1.26 0.59 120.40 128.70 1mjx s VAL 152 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1mjx s VAL 152 Cb -0.09 -3.26 -0.27 0.00 0.00 0.00 0.00 36.38 32.76 1mjx s VAL 152 CO 0.02 0.30 0.58 -0.33 0.00 0.00 0.00 175.10 175.66 1mjx h GLU 153 N 8.27 0.25 0.00 2.72 4.39 -0.54 -3.48 114.58 126.19 1mjx h GLU 153 Ca -0.37 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1mjx h GLU 153 Cb 1.18 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1mjx h GLU 153 CO 0.57 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.94 1mjx n GLY 154 N 1.83 0.30 3.81 -3.84 0.00 -0.81 -4.96 105.19 101.53 1mjx n GLY 154 Ca -0.25 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1mjx n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mjx s TRP 155 N -1.92 3.60 0.45 1.61 0.52 -1.26 -0.82 118.94 121.12 1mjx s TRP 155 Ca 0.00 0.74 0.06 0.00 0.02 0.00 0.00 56.10 56.91 1mjx s TRP 155 Cb 0.00 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1mjx s TRP 155 CO 0.00 0.51 0.14 -1.21 0.02 0.00 0.00 176.95 176.41 1mjx s GLU 156 N -0.48 2.17 0.84 4.98 2.02 0.25 -4.96 118.70 123.51 1mjx s GLU 156 Ca 0.19 -2.03 -0.09 0.00 0.02 0.00 0.00 54.97 53.07 1mjx s GLU 156 Cb -0.14 -1.84 0.16 0.00 0.10 0.00 0.00 34.13 32.41 1mjx s GLU 156 CO 0.08 -0.21 1.16 0.54 0.02 0.00 0.00 175.26 176.85 1mjx s ASN 157 N -3.91 3.75 0.25 -0.19 2.20 -1.26 -1.75 114.94 114.04 1mjx s ASN 157 Ca 0.32 0.00 -0.05 0.00 -0.94 0.00 0.00 52.86 52.19 1mjx s ASN 157 Cb 0.04 -0.22 0.32 0.00 -2.00 0.00 0.00 41.25 39.38 1mjx s ASN 157 CO 0.18 -2.29 1.89 0.00 -2.94 0.00 0.00 177.10 173.94 1mjx h ALA 158 N -1.10 1.26 -0.55 3.54 0.00 -1.88 -1.06 119.26 119.48 1mjx h ALA 158 Ca -0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1mjx h ALA 158 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1mjx h ALA 158 CO 0.40 0.46 0.08 0.93 0.00 0.00 0.00 179.25 181.12 1mjx h GLU 159 N 1.16 0.91 -0.21 0.00 4.39 -1.93 0.29 114.58 119.20 1mjx h GLU 159 Ca 0.38 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1mjx h GLU 159 Cb 0.04 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1mjx h GLU 159 CO -0.13 0.89 -0.08 0.00 -1.16 0.00 0.00 179.01 178.52 1mjx h ALA 160 N 0.99 1.48 -0.07 3.43 0.00 -1.77 -1.39 119.26 121.93 1mjx h ALA 160 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mjx h ALA 160 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1mjx h ALA 160 CO 0.01 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1mjx h ALA 161 N 1.61 0.10 -0.94 0.00 0.00 -0.62 -2.41 119.26 117.00 1mjx h ALA 161 Ca 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1mjx h ALA 161 Cb 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1mjx h ALA 161 CO 0.02 -0.21 0.60 0.87 0.00 0.00 0.00 179.25 180.53 1mjx h LYS 162 N -0.17 0.98 -0.21 0.00 1.57 -0.31 -2.14 116.57 116.29 1mjx h LYS 162 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1mjx h LYS 162 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1mjx h LYS 162 CO 0.00 0.65 0.13 0.00 -0.57 0.00 0.00 179.45 179.67 1mjx h ALA 163 N 1.52 0.27 -0.84 3.86 0.00 -1.01 -2.05 119.26 121.01 1mjx h ALA 163 Ca 0.42 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1mjx h ALA 163 Cb 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1mjx h ALA 163 CO -0.18 -0.23 0.55 1.49 0.00 0.00 0.00 179.25 180.88 1mjx h GLU 164 N 0.27 0.89 0.11 0.00 4.57 -1.17 -0.66 114.58 118.60 1mjx h GLU 164 Ca 0.08 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1mjx h GLU 164 Cb 0.01 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1mjx h GLU 164 CO -0.01 0.59 -0.18 0.82 -1.18 0.00 0.00 179.01 179.05 1mjx h ILE 165 N 0.92 0.60 -0.31 2.32 2.04 -0.79 -1.82 117.51 120.47 1mjx h ILE 165 Ca 0.36 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.14 1mjx h ILE 165 Cb 0.22 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1mjx h ILE 165 CO -0.13 0.00 -0.12 0.58 0.00 0.00 0.00 178.15 178.48 1mjx h VAL 166 N -0.35 1.29 -0.45 1.67 2.07 -0.81 0.32 116.25 119.98 1mjx h VAL 166 Ca 0.02 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 1mjx h VAL 166 Cb 0.36 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1mjx h VAL 166 CO -0.09 0.38 -0.15 0.00 0.02 0.00 0.00 177.57 177.74 1mjx h ALA 167 N 0.78 0.89 0.00 1.67 0.00 -1.14 -0.10 119.26 121.36 1mjx h ALA 167 Ca 0.07 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1mjx h ALA 167 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1mjx h ALA 167 CO 0.04 0.63 -0.83 0.77 0.00 0.00 0.00 179.25 179.87 1mjx h SER 168 N 0.76 0.08 0.13 0.00 0.02 -0.97 -1.13 113.55 112.44 1mjx h SER 168 Ca 0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1mjx h SER 168 Cb 0.66 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1mjx h SER 168 CO 0.05 0.87 -0.06 0.15 -1.14 0.00 0.00 176.83 176.69 1mjx h PHE 169 N 0.04 -0.17 -0.54 3.45 3.57 0.16 -0.90 116.94 122.54 1mjx h PHE 169 Ca -0.02 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1mjx h PHE 169 Cb 1.45 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.18 1mjx h PHE 169 CO 0.01 0.03 0.21 0.93 -2.23 0.00 0.00 178.31 177.26 1mjx h GLU 170 N -0.34 0.39 0.00 1.11 4.39 -1.10 -1.91 114.58 117.12 1mjx h GLU 170 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1mjx h GLU 170 Cb 0.27 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1mjx h GLU 170 CO 0.03 0.26 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.03 1mjx h ARG 171 N 0.40 0.00 -0.02 2.33 2.43 -1.15 -2.72 114.38 115.65 1mjx h ARG 171 Ca 0.26 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.18 1mjx h ARG 171 Cb 0.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1mjx h ARG 171 CO -0.25 0.02 -0.98 0.00 -1.51 0.00 0.00 179.97 177.25 1mjx h ALA 172 N 1.98 0.23 -0.13 2.80 0.00 -0.98 -0.71 119.26 122.46 1mjx h ALA 172 Ca -0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 1mjx h ALA 172 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mjx h ALA 172 CO 0.00 0.73 -0.57 0.87 0.00 0.00 0.00 179.25 180.28 1mjx h LYS 173 N 0.35 0.40 0.00 0.00 1.57 -1.40 -3.36 116.57 114.13 1mjx h LYS 173 Ca -0.10 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1mjx h LYS 173 Cb 1.62 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1mjx h LYS 173 CO 0.19 0.86 0.00 0.09 -0.57 0.00 0.00 179.45 180.02 1mjx n ASN 174 N -3.92 0.00 -0.76 0.86 3.02 -1.22 -5.17 115.26 108.06 1mjx n ASN 174 Ca -0.03 0.03 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1mjx n ASN 174 Cb 0.61 -0.06 0.28 0.00 -0.61 0.00 0.00 39.78 40.00 1mjx n ASN 174 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93