#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxa s GLY 23 N 0.00 2.84 -0.03 -1.23 0.00 -1.26 -4.90 107.32 102.74 3jxa s GLY 23 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.05 3jxa s GLY 23 CO 0.00 0.78 -0.08 -0.56 0.00 0.00 0.00 173.10 173.24 3jxa s SER 24 N -1.28 1.11 1.41 1.64 0.01 0.02 -4.96 113.70 111.65 3jxa s SER 24 Ca 0.38 -0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.25 3jxa s SER 24 Cb -0.21 -0.34 0.36 0.00 0.21 0.00 0.00 66.02 66.04 3jxa s SER 24 CO 0.25 0.04 0.90 0.61 0.41 0.00 0.00 173.24 175.45 3jxa n GLY 25 N 3.42 -3.47 3.77 3.44 0.00 -1.26 -1.18 105.19 109.91 3jxa n GLY 25 Ca -0.19 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 3jxa n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jxa s PRO 26 N -4.87 4.03 -0.06 1.61 0.02 -1.26 -4.52 135.00 129.93 3jxa s PRO 26 Ca 0.68 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 3jxa s PRO 26 Cb -0.16 -2.80 0.04 0.00 0.02 0.00 0.00 34.50 31.60 3jxa s PRO 26 CO 0.59 -0.45 0.12 0.08 -0.33 0.00 0.00 177.00 177.02 3jxa s VAL 27 N -1.25 -0.14 0.03 3.83 1.01 0.03 -4.96 120.40 118.96 3jxa s VAL 27 Ca 0.56 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3jxa s VAL 27 Cb -0.38 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 3jxa s VAL 27 CO 0.49 0.12 1.43 -0.36 0.00 0.00 0.00 175.10 176.78 3jxa s PHE 28 N 1.71 2.88 -0.18 5.22 0.40 -1.26 -0.87 117.98 125.89 3jxa s PHE 28 Ca -0.03 0.79 -0.19 0.00 -0.60 0.00 0.00 56.93 56.90 3jxa s PHE 28 Cb -0.12 -3.70 -0.22 0.00 0.51 0.00 0.00 43.02 39.49 3jxa s PHE 28 CO -0.05 -2.59 0.33 0.28 0.70 0.00 0.00 175.22 173.88 3jxa h VAL 29 N 4.78 0.96 -3.47 -0.44 2.07 -0.49 -3.47 116.25 116.19 3jxa h VAL 29 Ca -0.39 -2.24 -0.37 0.00 0.82 0.00 0.00 66.70 64.51 3jxa h VAL 29 Cb 1.19 2.42 -0.34 0.00 -1.52 0.00 0.00 31.29 33.03 3jxa h VAL 29 CO 0.90 0.47 -0.76 -1.58 0.02 0.00 0.00 177.57 176.62 3jxa s GLN 30 N -2.40 0.51 0.30 1.57 0.74 -0.89 -4.94 119.66 114.55 3jxa s GLN 30 Ca -0.26 0.01 0.06 0.00 0.05 0.00 0.00 55.36 55.23 3jxa s GLN 30 Cb 0.05 -0.64 -0.02 0.00 1.10 0.00 0.00 33.01 33.50 3jxa s GLN 30 CO 0.65 -0.13 0.40 -1.21 -0.55 0.00 0.00 175.29 174.46 3jxa s GLU 31 N 1.04 3.15 0.15 1.67 2.02 -1.26 0.37 118.70 125.85 3jxa s GLU 31 Ca -0.09 -0.98 -0.32 0.00 0.02 0.00 0.00 54.97 53.60 3jxa s GLU 31 Cb -0.14 -2.79 -0.11 0.00 0.10 0.00 0.00 34.13 31.19 3jxa s GLU 31 CO -0.01 0.19 1.78 -2.30 0.02 0.00 0.00 175.26 174.93 3jxa n PRO 32 N -1.52 2.71 -4.37 0.39 -0.02 -0.76 -4.68 135.00 126.75 3jxa n PRO 32 Ca -0.03 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 3jxa n PRO 32 Cb 0.58 -2.85 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 3jxa n PRO 32 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3jxa s SER 33 N 2.10 4.69 0.24 2.55 0.01 -1.26 -4.50 113.70 117.53 3jxa s SER 33 Ca 0.80 -0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 3jxa s SER 33 Cb -0.51 -1.09 -0.14 0.00 0.21 0.00 0.00 66.02 64.49 3jxa s SER 33 CO 0.36 0.26 1.36 1.41 0.41 0.00 0.00 173.24 177.04 3jxa n HIS 34 N 1.31 2.06 -4.54 2.43 8.25 -1.26 -4.70 115.22 118.76 3jxa n HIS 34 Ca -0.14 0.48 -0.24 0.00 -0.26 0.00 0.00 57.72 57.55 3jxa n HIS 34 Cb 0.52 -2.43 -0.16 0.00 1.12 0.00 0.00 29.99 29.04 3jxa n HIS 34 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3jxa s VAL 35 N -0.20 1.06 -0.25 1.59 1.01 0.13 -4.94 120.40 118.80 3jxa s VAL 35 Ca 0.67 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3jxa s VAL 35 Cb -0.66 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3jxa s VAL 35 CO 0.51 0.34 -0.03 -0.32 0.00 0.00 0.00 175.10 175.60 3jxa s MET 36 N 0.62 3.03 -0.14 2.72 1.75 -1.26 -0.93 119.30 125.08 3jxa s MET 36 Ca -0.13 -0.86 -0.05 0.00 -1.25 0.00 0.00 55.69 53.40 3jxa s MET 36 Cb -0.15 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.42 3jxa s MET 36 CO 0.03 -0.36 0.05 0.12 -0.65 0.00 0.00 175.02 174.21 3jxa s PHE 37 N 1.40 3.25 -0.32 4.11 5.36 0.35 -4.81 117.98 127.33 3jxa s PHE 37 Ca 0.02 0.14 -0.29 0.00 -0.96 0.00 0.00 56.93 55.85 3jxa s PHE 37 Cb -0.16 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 3jxa s PHE 37 CO -0.03 0.32 1.72 -2.14 -1.46 0.00 0.00 175.22 173.63 3jxa s PRO 38 N -0.22 3.45 0.36 10.12 0.02 -1.26 -0.67 135.00 146.79 3jxa s PRO 38 Ca 0.07 1.41 0.04 0.00 0.02 0.00 0.00 61.00 62.54 3jxa s PRO 38 Cb -0.12 -4.15 0.68 0.00 0.02 0.00 0.00 34.50 30.93 3jxa s PRO 38 CO 0.02 -1.72 1.97 1.25 -0.33 0.00 0.00 177.00 178.19 3jxa h LEU 39 N 13.13 0.58 -6.08 -5.54 6.46 -1.20 -2.66 115.31 120.00 3jxa h LEU 39 Ca -0.33 -0.05 -0.79 0.00 -0.12 0.00 0.00 57.88 56.59 3jxa h LEU 39 Cb 1.16 -0.15 -0.28 0.00 -0.73 0.00 0.00 40.66 40.66 3jxa h LEU 39 CO 1.03 0.50 0.94 0.47 -0.62 0.00 0.00 178.44 180.76 3jxa n ASP 40 N -4.39 7.22 -4.94 1.25 8.00 -1.26 -5.01 116.55 117.42 3jxa n ASP 40 Ca 0.04 -3.70 -0.21 0.00 0.71 0.00 0.00 54.79 51.62 3jxa n ASP 40 Cb 0.13 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3jxa n ASP 40 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3jxa s SER 41 N -1.44 5.04 0.02 -2.24 0.15 -1.01 -5.04 113.70 109.18 3jxa s SER 41 Ca 0.41 -0.86 0.11 0.00 0.70 0.00 0.00 55.95 56.31 3jxa s SER 41 Cb 0.22 -0.12 -0.22 0.00 -1.71 0.00 0.00 66.02 64.20 3jxa s SER 41 CO -0.16 -0.95 0.89 -0.33 1.20 0.00 0.00 173.24 173.89 3jxa h GLU 42 N 0.70 0.00 -6.13 5.44 5.08 -1.95 -3.46 114.58 114.25 3jxa h GLU 42 Ca -0.37 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.43 3jxa h GLU 42 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 3jxa h GLU 42 CO 0.52 0.66 0.19 -1.21 -1.00 0.00 0.00 179.01 178.17 3jxa s GLU 43 N -2.65 4.46 0.00 2.33 8.01 -1.26 -4.93 118.70 124.66 3jxa s GLU 43 Ca -0.03 1.05 0.28 0.00 0.01 0.00 0.00 54.97 56.28 3jxa s GLU 43 Cb 0.09 -3.46 1.22 0.00 -4.31 0.00 0.00 34.13 27.67 3jxa s GLU 43 CO 0.82 -0.00 1.90 0.36 0.01 0.00 0.00 175.26 178.35 3jxa n LYS 44 N 3.94 0.08 -4.24 1.61 0.00 -1.26 -4.87 118.16 113.41 3jxa n LYS 44 Ca 0.01 0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.16 3jxa n LYS 44 Cb 0.51 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.91 3jxa n LYS 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3jxa s LYS 45 N -2.92 0.83 0.19 -1.58 -2.85 -1.26 0.86 119.74 113.01 3jxa s LYS 45 Ca 0.16 -0.82 0.10 0.00 -1.00 0.00 0.00 55.97 54.41 3jxa s LYS 45 Cb 0.18 -0.82 -0.04 0.00 -2.06 0.00 0.00 37.83 35.09 3jxa s LYS 45 CO 0.49 0.19 -0.21 0.54 0.10 0.00 0.00 175.35 176.46 3jxa s VAL 46 N -1.05 2.12 -0.09 1.79 0.11 -0.93 -4.97 120.40 117.37 3jxa s VAL 46 Ca -0.01 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.08 3jxa s VAL 46 Cb -0.09 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 3jxa s VAL 46 CO 0.02 -0.22 -0.23 -0.75 -3.33 0.00 0.00 175.10 170.58 3jxa s LYS 47 N -2.78 2.85 -0.31 1.54 2.20 -1.26 -1.66 119.74 120.33 3jxa s LYS 47 Ca 0.19 -0.83 -0.09 0.00 -0.36 0.00 0.00 55.97 54.88 3jxa s LYS 47 Cb -0.07 -2.18 -0.01 0.00 -1.51 0.00 0.00 37.83 34.07 3jxa s LYS 47 CO 0.09 0.18 0.14 -0.51 -0.36 0.00 0.00 175.35 174.88 3jxa s LEU 48 N 0.34 4.07 0.13 5.43 1.43 -0.08 -4.98 118.68 125.02 3jxa s LEU 48 Ca -0.17 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 3jxa s LEU 48 Cb -0.17 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3jxa s LEU 48 CO 0.08 -0.19 0.68 -0.44 0.23 0.00 0.00 176.35 176.71 3jxa s SER 49 N 1.60 7.22 -0.34 2.29 0.01 -1.26 -0.96 113.70 122.26 3jxa s SER 49 Ca 0.04 1.46 0.05 0.00 1.31 0.00 0.00 55.95 58.81 3jxa s SER 49 Cb -0.17 -2.43 0.19 0.00 0.21 0.00 0.00 66.02 63.82 3jxa s SER 49 CO 0.06 0.22 0.67 0.00 0.41 0.00 0.00 173.24 174.59 3jxa s GLU 51 N 2.39 3.97 -0.07 0.00 2.12 0.16 -4.05 118.70 123.21 3jxa s GLU 51 Ca 0.14 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.18 3jxa s GLU 51 Cb -0.06 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.10 3jxa s GLU 51 CO -0.17 0.32 -0.11 0.08 -0.54 0.00 0.00 175.26 174.84 3jxa s VAL 52 N 0.25 1.07 0.00 3.70 1.01 -1.26 0.32 120.40 125.49 3jxa s VAL 52 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3jxa s VAL 52 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3jxa s VAL 52 CO -0.00 0.35 0.23 -0.75 0.00 0.00 0.00 175.10 174.92 3jxa s LYS 53 N 0.89 3.51 0.00 2.72 2.20 -0.05 -4.82 119.74 124.19 3jxa s LYS 53 Ca -0.10 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3jxa s LYS 53 Cb -0.15 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3jxa s LYS 53 CO 0.01 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 3jxa n GLY 54 N 0.99 1.16 2.77 5.54 0.00 -1.26 -0.79 105.19 113.60 3jxa n GLY 54 Ca -0.11 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 3jxa n GLY 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jxa s ASN 55 N 0.00 1.29 1.13 1.61 3.04 -0.33 -3.64 114.94 118.05 3jxa s ASN 55 Ca 0.00 -0.14 -0.13 0.00 0.04 0.00 0.00 52.86 52.63 3jxa s ASN 55 Cb 0.00 0.38 0.27 0.00 -1.54 0.00 0.00 41.25 40.36 3jxa s ASN 55 CO 0.00 -0.32 1.04 -2.84 -3.04 0.00 0.00 177.10 171.95 3jxa s PRO 56 N 2.33 -0.66 0.07 0.43 0.02 -1.26 -0.80 135.00 135.12 3jxa s PRO 56 Ca 0.06 0.72 -0.30 0.00 0.02 0.00 0.00 61.00 61.50 3jxa s PRO 56 Cb -0.15 -1.59 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 3jxa s PRO 56 CO -0.11 -3.52 1.80 0.15 -0.33 0.00 0.00 177.00 174.99 3jxa s LYS 57 N -4.60 4.16 0.36 5.54 1.02 -1.24 -4.94 119.74 120.04 3jxa s LYS 57 Ca 0.68 2.48 -0.26 0.00 0.02 0.00 0.00 55.97 58.89 3jxa s LYS 57 Cb -0.23 -3.79 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 3jxa s LYS 57 CO 0.63 -0.84 1.13 -2.14 -0.92 0.00 0.00 175.35 173.20 3jxa s PRO 58 N 3.31 4.26 0.41 -1.68 0.02 -1.26 -4.98 135.00 135.07 3jxa s PRO 58 Ca 0.80 1.77 -0.23 0.00 0.02 0.00 0.00 61.00 63.37 3jxa s PRO 58 Cb -0.42 -2.81 -0.10 0.00 0.02 0.00 0.00 34.50 31.19 3jxa s PRO 58 CO 0.36 -0.12 0.98 -1.01 -0.33 0.00 0.00 177.00 176.88 3jxa s HIS 59 N -1.39 3.33 0.00 6.54 3.76 -0.15 -4.82 115.29 122.57 3jxa s HIS 59 Ca 0.53 1.65 0.05 0.00 -0.15 0.00 0.00 55.06 57.14 3jxa s HIS 59 Cb -0.29 -2.95 -0.02 0.00 1.11 0.00 0.00 32.58 30.43 3jxa s HIS 59 CO 0.37 -0.26 -0.17 0.42 -0.85 0.00 0.00 174.74 174.26 3jxa s ILE 60 N -1.93 1.34 0.05 0.60 1.01 -1.26 -1.03 121.20 119.98 3jxa s ILE 60 Ca 0.60 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 3jxa s ILE 60 Cb -0.15 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3jxa s ILE 60 CO 0.19 0.29 0.07 0.00 0.00 0.00 0.00 174.94 175.49 3jxa s ARG 61 N -0.62 0.63 0.11 2.79 1.70 -0.44 -4.99 118.95 118.13 3jxa s ARG 61 Ca 0.06 -0.91 0.10 0.00 -0.47 0.00 0.00 55.73 54.51 3jxa s ARG 61 Cb -0.07 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3jxa s ARG 61 CO 0.00 -0.15 -0.23 -1.58 -1.08 0.00 0.00 175.30 172.25 3jxa s TRP 62 N -3.14 2.41 -0.01 5.89 0.52 -1.26 -0.06 118.94 123.29 3jxa s TRP 62 Ca -0.00 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.86 3jxa s TRP 62 Cb 0.02 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3jxa s TRP 62 CO -0.07 0.34 -0.25 0.15 0.02 0.00 0.00 176.95 177.14 3jxa s LYS 63 N -2.00 1.99 -0.17 4.98 1.02 0.76 -1.27 119.74 125.05 3jxa s LYS 63 Ca 0.15 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.24 3jxa s LYS 63 Cb -0.10 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3jxa s LYS 63 CO 0.07 0.53 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.67 3jxa s LEU 64 N -0.66 2.17 -0.89 3.17 2.96 0.95 -1.09 118.68 125.29 3jxa s LEU 64 Ca 0.10 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3jxa s LEU 64 Cb -0.10 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.14 3jxa s LEU 64 CO -0.01 0.02 0.18 0.59 -1.32 0.00 0.00 176.35 175.81 3jxa n ASN 65 N 4.52 -2.98 0.00 3.68 4.13 0.27 -1.66 115.26 123.21 3jxa n ASN 65 Ca -0.21 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.07 3jxa n ASN 65 Cb 0.50 -2.55 0.00 0.00 -1.54 0.00 0.00 39.78 36.20 3jxa n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jxa n GLY 66 N -0.85 3.11 3.89 7.41 0.00 -1.26 -5.05 105.19 112.43 3jxa n GLY 66 Ca -0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3jxa n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jxa s THR 67 N -0.39 4.82 0.50 2.61 -4.23 -0.67 -4.95 115.64 113.33 3jxa s THR 67 Ca 0.00 0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 60.80 3jxa s THR 67 Cb 0.00 -3.81 -0.07 0.00 1.34 0.00 0.00 72.50 69.95 3jxa s THR 67 CO 0.00 -0.78 1.10 -1.81 -0.54 0.00 0.00 174.62 172.59 3jxa s ASP 68 N -3.75 6.05 -0.45 3.99 -0.00 -1.26 -0.03 116.67 121.22 3jxa s ASP 68 Ca 0.50 2.11 -0.15 0.00 -0.00 0.00 0.00 52.55 55.01 3jxa s ASP 68 Cb -0.10 -2.58 0.06 0.00 -0.00 0.00 0.00 42.92 40.29 3jxa s ASP 68 CO 0.41 -0.99 0.35 -0.69 -0.00 0.00 0.00 175.17 174.25 3jxa s VAL 69 N -1.80 5.16 -0.74 -1.27 1.01 -0.39 -4.76 120.40 117.62 3jxa s VAL 69 Ca 0.69 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 3jxa s VAL 69 Cb -0.22 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.17 3jxa s VAL 69 CO 0.26 -0.49 1.26 -0.62 0.00 0.00 0.00 175.10 175.51 3jxa s ASP 70 N 2.28 6.16 0.06 3.32 -1.08 -1.26 -4.73 116.67 121.41 3jxa s ASP 70 Ca 0.04 -0.50 -0.37 0.00 -0.52 0.00 0.00 52.55 51.21 3jxa s ASP 70 Cb -0.23 -2.55 -0.20 0.00 -1.46 0.00 0.00 42.92 38.48 3jxa s ASP 70 CO 0.07 -1.81 1.52 0.40 0.52 0.00 0.00 175.17 175.88 3jxa h ILE 71 N 6.03 0.00 -0.65 4.11 1.08 -1.96 -3.30 117.51 122.82 3jxa h ILE 71 Ca -0.28 -0.03 0.14 0.00 -0.39 0.00 0.00 64.86 64.30 3jxa h ILE 71 Cb 1.05 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.69 3jxa h ILE 71 CO 1.27 0.00 0.03 1.23 -0.69 0.00 0.00 178.15 180.00 3jxa h GLY 72 N -1.35 0.74 -7.12 5.37 0.00 -1.91 -3.36 103.07 95.44 3jxa h GLY 72 Ca -0.14 0.07 -0.58 0.00 0.00 0.00 0.00 47.33 46.68 3jxa h GLY 72 CO 0.22 -0.21 -0.76 -0.29 0.00 0.00 0.00 176.54 175.50 3jxa s MET 73 N -6.13 0.67 -0.29 4.80 -2.45 -1.24 -4.58 119.30 110.07 3jxa s MET 73 Ca -0.13 -1.02 -0.18 0.00 -1.25 0.00 0.00 55.69 53.11 3jxa s MET 73 Cb 0.20 -1.92 0.16 0.00 1.25 0.00 0.00 34.83 34.52 3jxa s MET 73 CO 0.74 -0.99 1.08 0.34 1.05 0.00 0.00 175.02 177.24 3jxa s ASP 74 N 1.66 -0.37 0.00 1.11 2.15 -1.25 -4.83 116.67 115.13 3jxa s ASP 74 Ca 0.10 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.69 3jxa s ASP 74 Cb -0.17 1.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 3jxa s ASP 74 CO -0.26 -0.10 0.00 0.49 -0.17 0.00 0.00 175.17 175.13 3jxa n PHE 75 N 3.22 0.00 -0.99 -5.34 3.01 -1.26 -4.94 117.46 111.17 3jxa n PHE 75 Ca -0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.14 3jxa n PHE 75 Cb 0.57 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.26 3jxa n PHE 75 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3jxa n ARG 76 N 0.00 2.80 -1.69 -1.08 5.12 -1.26 -4.95 116.66 115.60 3jxa n ARG 76 Ca 0.00 -2.82 -0.55 0.00 -1.93 0.00 0.00 57.85 52.54 3jxa n ARG 76 Cb 0.00 -2.12 -0.07 0.00 -1.16 0.00 0.00 32.46 29.11 3jxa n ARG 76 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3jxa n TYR 77 N -0.61 2.02 -3.86 -1.55 0.53 -1.26 -3.83 117.16 108.59 3jxa n TYR 77 Ca 0.48 0.47 -0.27 0.00 -1.02 0.00 0.00 57.90 57.56 3jxa n TYR 77 Cb 1.48 -2.47 -0.17 0.00 -1.03 0.00 0.00 39.34 37.15 3jxa n TYR 77 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3jxa s SER 78 N 3.09 2.48 -0.37 7.72 0.15 0.64 -4.90 113.70 122.51 3jxa s SER 78 Ca 0.95 -0.50 -0.11 0.00 0.70 0.00 0.00 55.95 56.99 3jxa s SER 78 Cb -0.99 -0.80 0.03 0.00 -1.71 0.00 0.00 66.02 62.55 3jxa s SER 78 CO 0.60 -0.18 0.20 0.54 1.20 0.00 0.00 173.24 175.60 3jxa s VAL 79 N 1.72 4.54 -0.08 4.45 0.11 -1.26 0.42 120.40 130.31 3jxa s VAL 79 Ca 0.02 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3jxa s VAL 79 Cb -0.14 -3.53 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 3jxa s VAL 79 CO -0.08 -0.22 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.71 3jxa s VAL 80 N 1.55 0.87 -1.24 2.04 1.01 -0.65 -4.70 120.40 119.27 3jxa s VAL 80 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3jxa s VAL 80 Cb -0.19 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3jxa s VAL 80 CO 0.06 0.32 0.00 -0.67 0.00 0.00 0.00 175.10 174.82 3jxa n ASP 81 N 4.57 -4.36 0.00 3.32 2.03 -1.26 -2.54 116.55 118.31 3jxa n ASP 81 Ca -0.16 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.18 3jxa n ASP 81 Cb 0.51 -3.46 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 3jxa n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jxa n GLY 82 N -1.05 2.86 3.73 0.27 0.00 -1.26 -4.68 105.19 105.06 3jxa n GLY 82 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3jxa n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jxa s SER 83 N -0.25 7.19 -0.47 1.61 0.01 -1.05 -4.56 113.70 116.17 3jxa s SER 83 Ca 0.00 2.10 -0.23 0.00 1.31 0.00 0.00 55.95 59.13 3jxa s SER 83 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 3jxa s SER 83 CO 0.00 -0.31 0.80 -0.22 0.41 0.00 0.00 173.24 173.93 3jxa s LEU 84 N -0.01 4.28 -0.20 2.44 2.96 -0.13 -1.64 118.68 126.37 3jxa s LEU 84 Ca 0.52 -0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.08 3jxa s LEU 84 Cb -0.30 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 3jxa s LEU 84 CO 0.34 -0.98 0.24 -0.76 -1.32 0.00 0.00 176.35 173.87 3jxa s LEU 85 N 3.37 4.18 -0.17 -0.68 1.43 0.17 -0.90 118.68 126.07 3jxa s LEU 85 Ca 0.29 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3jxa s LEU 85 Cb -0.13 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 3jxa s LEU 85 CO 0.21 0.07 -0.13 -0.63 0.23 0.00 0.00 176.35 176.11 3jxa s ILE 86 N 0.79 2.80 -0.16 -0.59 1.01 -0.66 -0.26 121.20 124.12 3jxa s ILE 86 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3jxa s ILE 86 Cb -0.13 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3jxa s ILE 86 CO 0.03 0.50 0.15 0.20 0.00 0.00 0.00 174.94 175.82 3jxa s ASN 87 N 1.02 6.31 -0.59 3.58 -0.87 -1.25 -2.19 114.94 120.95 3jxa s ASN 87 Ca -0.01 0.36 -0.02 0.00 -1.57 0.00 0.00 52.86 51.62 3jxa s ASN 87 Cb -0.15 -2.09 -0.02 0.00 -0.02 0.00 0.00 41.25 38.97 3jxa s ASN 87 CO -0.03 0.28 0.54 0.59 -2.57 0.00 0.00 177.10 175.91 3jxa n ASN 88 N 2.81 -5.49 -4.71 -1.22 3.02 0.25 -4.59 115.26 105.32 3jxa n ASN 88 Ca -0.18 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 3jxa n ASN 88 Cb 0.53 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.92 3jxa n ASN 88 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3jxa s PRO 89 N -3.44 4.20 -0.25 3.52 0.02 -1.25 -4.99 135.00 132.82 3jxa s PRO 89 Ca 0.15 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3jxa s PRO 89 Cb -0.02 -3.21 0.07 0.00 0.02 0.00 0.00 34.50 31.36 3jxa s PRO 89 CO 0.49 -0.64 -0.03 1.21 -0.33 0.00 0.00 177.00 177.70 3jxa s ASN 90 N 1.34 3.87 0.43 2.53 3.84 -1.26 -5.02 114.94 120.67 3jxa s ASN 90 Ca 0.71 -1.26 0.23 0.00 0.21 0.00 0.00 52.86 52.76 3jxa s ASN 90 Cb -0.44 -1.14 1.23 0.00 -0.55 0.00 0.00 41.25 40.35 3jxa s ASN 90 CO 0.32 -0.27 1.75 0.50 -2.79 0.00 0.00 177.10 176.61 3jxa h LYS 91 N 7.96 0.27 -0.08 0.43 3.64 -1.94 0.37 116.57 127.22 3jxa h LYS 91 Ca -0.16 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 3jxa h LYS 91 Cb 1.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3jxa h LYS 91 CO 0.42 0.18 -0.54 1.79 -2.27 0.00 0.00 179.45 179.02 3jxa h THR 92 N 0.28 1.36 0.02 1.00 1.35 -1.95 -2.81 112.91 112.15 3jxa h THR 92 Ca 0.62 -1.84 -0.39 0.00 -0.55 0.00 0.00 66.41 64.25 3jxa h THR 92 Cb 1.81 1.90 -0.06 0.00 -1.73 0.00 0.00 68.15 70.07 3jxa h THR 92 CO -0.26 0.54 -2.29 0.00 -0.25 0.00 0.00 175.52 173.26 3jxa n GLN 93 N -3.92 0.64 0.02 4.72 6.02 0.01 -4.73 117.38 120.13 3jxa n GLN 93 Ca -0.02 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 3jxa n GLN 93 Cb 0.57 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 3jxa n GLN 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3jxa n ASP 94 N -3.73 0.62 -4.75 1.08 8.00 0.11 -4.91 116.55 112.97 3jxa n ASP 94 Ca -0.45 -0.33 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 3jxa n ASP 94 Cb 0.93 0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 42.91 3jxa n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jxa s ALA 95 N -3.18 3.44 0.00 2.24 0.00 -1.06 -4.84 121.76 118.36 3jxa s ALA 95 Ca 0.04 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3jxa s ALA 95 Cb 0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3jxa s ALA 95 CO 0.82 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.65 3jxa n GLY 96 N 1.47 0.33 3.54 0.00 0.00 -1.04 -4.99 105.19 104.50 3jxa n GLY 96 Ca 0.01 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3jxa n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jxa s THR 97 N -2.79 5.27 0.05 2.61 2.01 -1.26 -1.14 115.64 120.38 3jxa s THR 97 Ca 0.00 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3jxa s THR 97 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3jxa s THR 97 CO 0.00 -0.00 0.21 -0.31 -0.69 0.00 0.00 174.62 173.83 3jxa s TYR 98 N 1.78 3.53 -0.06 4.92 1.51 0.19 -0.57 117.35 128.65 3jxa s TYR 98 Ca 0.07 0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 56.39 3jxa s TYR 98 Cb -0.17 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3jxa s TYR 98 CO 0.11 0.59 0.14 -1.14 -1.11 0.00 0.00 175.55 174.14 3jxa s GLN 99 N -2.38 0.12 -0.14 -0.62 0.74 -0.25 -1.15 119.66 115.98 3jxa s GLN 99 Ca 0.34 0.27 -0.07 0.00 0.05 0.00 0.00 55.36 55.95 3jxa s GLN 99 Cb -0.13 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 3jxa s GLN 99 CO 0.26 -0.09 0.10 0.00 -0.55 0.00 0.00 175.29 175.01 3jxa s ILE 101 N -0.49 1.85 -0.15 0.00 -1.09 0.92 -1.48 121.20 120.76 3jxa s ILE 101 Ca 0.11 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 3jxa s ILE 101 Cb -0.12 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 3jxa s ILE 101 CO 0.02 0.51 -0.05 0.00 -1.23 0.00 0.00 174.94 174.19 3jxa s ALA 102 N 1.25 2.96 0.04 9.38 0.00 -0.77 -1.33 121.76 133.28 3jxa s ALA 102 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3jxa s ALA 102 Cb -0.13 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 3jxa s ALA 102 CO -0.09 0.22 -0.15 0.99 0.00 0.00 0.00 175.76 176.73 3jxa s THR 103 N 0.35 1.18 0.28 0.00 2.01 -0.20 -0.73 115.64 118.54 3jxa s THR 103 Ca -0.05 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 60.98 3jxa s THR 103 Cb -0.14 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 3jxa s THR 103 CO 0.03 0.04 0.24 0.21 -0.69 0.00 0.00 174.62 174.46 3jxa s ASN 104 N -1.10 1.03 0.24 3.53 2.47 0.40 -0.98 114.94 120.51 3jxa s ASN 104 Ca 0.02 -1.59 0.23 0.00 0.42 0.00 0.00 52.86 51.95 3jxa s ASN 104 Cb -0.08 0.50 0.95 0.00 -1.45 0.00 0.00 41.25 41.17 3jxa s ASN 104 CO 0.01 -1.00 1.69 -1.54 -3.72 0.00 0.00 177.10 172.55 3jxa n SER 105 N -1.04 0.62 0.00 -4.21 3.41 -1.26 -2.67 113.62 108.47 3jxa n SER 105 Ca 0.05 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3jxa n SER 105 Cb 0.64 -0.78 0.08 0.00 -0.26 0.00 0.00 64.21 63.89 3jxa n SER 105 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3jxa n PHE 106 N -2.18 0.01 0.00 7.33 3.72 -1.26 -5.06 117.46 120.02 3jxa n PHE 106 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3jxa n PHE 106 Cb 0.23 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3jxa n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jxa n GLY 107 N 1.49 0.96 3.08 1.37 0.00 -1.09 -3.80 105.19 107.20 3jxa n GLY 107 Ca 0.05 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 3jxa n GLY 107 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jxa s THR 108 N -1.25 0.80 0.16 2.61 -1.32 -1.26 -0.45 115.64 114.92 3jxa s THR 108 Ca 0.00 -0.84 0.08 0.00 -1.21 0.00 0.00 61.69 59.72 3jxa s THR 108 Cb 0.00 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3jxa s THR 108 CO 0.00 -0.07 -0.18 0.27 -2.21 0.00 0.00 174.62 172.42 3jxa s ILE 109 N -0.83 1.79 -0.07 5.08 -4.36 0.09 -3.56 121.20 119.35 3jxa s ILE 109 Ca -0.01 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 3jxa s ILE 109 Cb -0.07 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 3jxa s ILE 109 CO 0.01 -0.29 -0.08 -0.69 0.24 0.00 0.00 174.94 174.12 3jxa s VAL 110 N -1.96 3.57 0.53 8.37 1.01 -1.26 -1.86 120.40 128.80 3jxa s VAL 110 Ca 0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3jxa s VAL 110 Cb -0.06 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3jxa s VAL 110 CO 0.06 0.59 0.78 -0.94 0.00 0.00 0.00 175.10 175.60 3jxa s SER 111 N -0.73 5.54 1.14 3.32 1.04 -0.55 -4.94 113.70 118.51 3jxa s SER 111 Ca 0.11 0.32 -0.14 0.00 0.48 0.00 0.00 55.95 56.72 3jxa s SER 111 Cb -0.11 -1.36 0.23 0.00 0.10 0.00 0.00 66.02 64.88 3jxa s SER 111 CO 0.01 -0.98 0.80 -2.11 0.98 0.00 0.00 173.24 171.95 3jxa n ARG 112 N -2.34 -2.05 -3.63 4.02 1.85 -1.26 -4.69 116.66 108.56 3jxa n ARG 112 Ca 0.04 -0.57 -0.30 0.00 -1.00 0.00 0.00 57.85 56.03 3jxa n ARG 112 Cb 0.58 -2.08 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 3jxa n ARG 112 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3jxa s GLU 113 N -4.20 3.60 -0.02 2.89 2.02 -1.26 -4.50 118.70 117.23 3jxa s GLU 113 Ca 0.66 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.54 3jxa s GLU 113 Cb -0.22 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.20 3jxa s GLU 113 CO 0.65 0.42 -0.05 0.00 0.02 0.00 0.00 175.26 176.30 3jxa s ALA 114 N -1.76 0.57 -0.15 5.21 0.00 -0.30 -4.80 121.76 120.53 3jxa s ALA 114 Ca 0.41 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 3jxa s ALA 114 Cb -0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3jxa s ALA 114 CO 0.26 0.06 0.34 0.15 0.00 0.00 0.00 175.76 176.57 3jxa s LYS 115 N 0.37 4.26 -0.28 0.00 1.02 -1.26 0.53 119.74 124.38 3jxa s LYS 115 Ca -0.04 0.18 -0.13 0.00 0.02 0.00 0.00 55.97 56.00 3jxa s LYS 115 Cb -0.08 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3jxa s LYS 115 CO -0.00 0.23 0.27 -1.17 -0.92 0.00 0.00 175.35 173.76 3jxa s LEU 116 N 0.47 4.06 0.24 3.17 2.96 -0.30 -0.69 118.68 128.58 3jxa s LEU 116 Ca 0.19 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 3jxa s LEU 116 Cb -0.14 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 3jxa s LEU 116 CO 0.06 -0.12 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.71 3jxa s GLN 117 N 1.88 1.47 -0.22 1.98 -0.21 -0.11 -2.51 119.66 121.95 3jxa s GLN 117 Ca 0.10 -1.67 -0.00 0.00 0.02 0.00 0.00 55.36 53.81 3jxa s GLN 117 Cb -0.16 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.51 3jxa s GLN 117 CO 0.11 0.23 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.32 3jxa s PHE 118 N -2.80 2.96 0.33 0.91 0.08 -1.26 -0.49 117.98 117.70 3jxa s PHE 118 Ca 0.26 -1.64 -0.06 0.00 0.12 0.00 0.00 56.93 55.61 3jxa s PHE 118 Cb -0.02 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3jxa s PHE 118 CO 0.10 -0.76 0.61 0.00 -0.10 0.00 0.00 175.22 175.07 3jxa s ALA 119 N 1.30 3.56 -0.01 5.36 0.00 0.15 -4.72 121.76 127.40 3jxa s ALA 119 Ca 0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 3jxa s ALA 119 Cb -0.15 -2.39 0.12 0.00 0.00 0.00 0.00 23.12 20.70 3jxa s ALA 119 CO -0.08 0.13 1.25 1.52 0.00 0.00 0.00 175.76 178.59 3jxa s TYR 120 N -2.20 -0.06 -0.30 0.00 1.13 -1.11 -0.61 117.35 114.21 3jxa s TYR 120 Ca 0.45 -0.06 -0.03 0.00 -1.41 0.00 0.00 57.07 56.02 3jxa s TYR 120 Cb -0.10 0.55 0.18 0.00 -1.10 0.00 0.00 41.96 41.49 3jxa s TYR 120 CO 0.32 -0.32 0.63 -1.17 -2.51 0.00 0.00 175.55 172.50 3jxa s LEU 121 N -2.94 -1.30 0.79 -3.49 2.96 -1.26 -1.84 118.68 111.60 3jxa s LEU 121 Ca 0.14 0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 54.87 3jxa s LEU 121 Cb 0.04 2.14 0.07 0.00 0.50 0.00 0.00 46.19 48.94 3jxa s LEU 121 CO -0.03 -0.24 1.11 -1.61 -1.32 0.00 0.00 176.35 174.25 3jxa s GLU 122 N 2.87 2.11 0.69 1.98 2.02 -1.06 -5.00 118.70 122.31 3jxa s GLU 122 Ca 0.16 0.53 -0.11 0.00 0.02 0.00 0.00 54.97 55.57 3jxa s GLU 122 Cb -0.14 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3jxa s GLU 122 CO -0.20 -1.57 1.08 -0.80 0.02 0.00 0.00 175.26 173.78 3jxa s ASN 123 N -4.05 5.54 0.49 -0.19 0.01 -1.26 -4.72 114.94 110.75 3jxa s ASN 123 Ca 0.61 1.24 -0.23 0.00 -0.71 0.00 0.00 52.86 53.77 3jxa s ASN 123 Cb -0.14 -2.10 -0.07 0.00 0.41 0.00 0.00 41.25 39.36 3jxa s ASN 123 CO 0.53 -1.30 1.26 -0.36 -1.51 0.00 0.00 177.10 175.73 3jxa s PHE 124 N -3.28 2.63 0.00 2.20 0.40 -1.26 -4.85 117.98 113.81 3jxa s PHE 124 Ca 0.58 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 58.36 3jxa s PHE 124 Cb -0.11 -3.59 0.00 0.00 0.51 0.00 0.00 43.02 39.82 3jxa s PHE 124 CO 0.53 -2.16 0.87 1.63 0.70 0.00 0.00 175.22 176.79 3jxa n LYS 125 N -0.62 0.00 -1.57 0.44 4.76 -1.26 -4.85 118.16 115.06 3jxa n LYS 125 Ca 0.08 0.43 -0.30 0.00 -2.87 0.00 0.00 58.31 55.64 3jxa n LYS 125 Cb 0.46 -1.40 0.08 0.00 -1.84 0.00 0.00 35.03 32.34 3jxa n LYS 125 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3jxa s THR 126 N -2.59 3.19 0.00 -0.18 -1.32 -1.26 -4.98 115.64 108.49 3jxa s THR 126 Ca 0.00 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 3jxa s THR 126 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 3jxa s THR 126 CO 0.00 -0.51 0.67 0.54 -2.21 0.00 0.00 174.62 173.12 3jxa n ARG 127 N -3.38 0.79 -3.87 7.08 1.74 -1.26 -4.57 116.66 113.18 3jxa n ARG 127 Ca 0.07 -0.88 -0.15 0.00 -0.77 0.00 0.00 57.85 56.12 3jxa n ARG 127 Cb 0.56 -0.94 -0.15 0.00 -1.02 0.00 0.00 32.46 30.91 3jxa n ARG 127 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3jxa s THR 128 N -0.41 0.06 0.09 0.55 -1.32 -1.26 -4.69 115.64 108.65 3jxa s THR 128 Ca 0.00 0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 3jxa s THR 128 Cb 0.00 -0.14 -0.03 0.00 -1.51 0.00 0.00 72.50 70.82 3jxa s THR 128 CO 0.00 0.08 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.20 3jxa s ARG 129 N 0.68 0.94 0.59 7.08 0.52 -1.26 -5.06 118.95 122.44 3jxa s ARG 129 Ca -0.06 -1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 3jxa s ARG 129 Cb -0.09 -1.00 -0.06 0.00 0.52 0.00 0.00 34.95 34.32 3jxa s ARG 129 CO -0.02 0.22 0.80 0.45 0.02 0.00 0.00 175.30 176.77 3jxa n SER 130 N 1.10 0.07 -4.45 0.23 2.88 -1.26 -4.76 113.62 107.42 3jxa n SER 130 Ca -0.20 0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 57.68 3jxa n SER 130 Cb 0.54 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.65 3jxa n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3jxa s THR 131 N -1.59 4.60 0.91 2.46 -1.32 -1.26 -4.47 115.64 114.97 3jxa s THR 131 Ca 0.73 -0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 3jxa s THR 131 Cb -0.43 -4.49 0.13 0.00 -1.51 0.00 0.00 72.50 66.21 3jxa s THR 131 CO 0.50 -1.11 1.09 -0.69 -2.21 0.00 0.00 174.62 172.20 3jxa s VAL 132 N 3.33 2.62 0.07 5.08 1.01 -0.33 -4.95 120.40 127.22 3jxa s VAL 132 Ca 0.20 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3jxa s VAL 132 Cb -0.18 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.63 3jxa s VAL 132 CO 0.12 -0.26 0.63 -0.94 0.00 0.00 0.00 175.10 174.65 3jxa s SER 133 N -3.33 -0.60 0.06 3.32 1.04 -1.26 -2.81 113.70 110.12 3jxa s SER 133 Ca 0.64 0.31 -0.27 0.00 0.48 0.00 0.00 55.95 57.11 3jxa s SER 133 Cb -0.19 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.57 3jxa s SER 133 CO 0.57 -0.80 0.64 -0.69 0.98 0.00 0.00 173.24 173.94 3jxa s VAL 134 N -2.60 0.00 0.22 5.02 1.01 -1.00 -4.95 120.40 118.10 3jxa s VAL 134 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3jxa s VAL 134 Cb -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 3jxa s VAL 134 CO -0.03 0.00 1.27 -0.13 0.00 0.00 0.00 175.10 176.21 3jxa s ARG 135 N -2.54 4.43 0.15 2.72 0.52 -1.26 -1.75 118.95 121.21 3jxa s ARG 135 Ca -0.05 2.02 -0.31 0.00 -0.52 0.00 0.00 55.73 56.87 3jxa s ARG 135 Cb -0.01 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.18 3jxa s ARG 135 CO -0.02 -0.17 1.65 0.50 0.02 0.00 0.00 175.30 177.28 3jxa s ARG 136 N -0.49 4.18 0.00 3.54 3.52 -1.26 -2.27 118.95 126.17 3jxa s ARG 136 Ca 0.54 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 3jxa s ARG 136 Cb -0.36 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3jxa s ARG 136 CO 0.40 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 3jxa n GLY 137 N 3.90 0.92 3.91 8.12 0.00 -0.15 -3.32 105.19 118.56 3jxa n GLY 137 Ca 0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3jxa n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jxa s GLN 138 N -0.75 2.64 -0.01 1.61 0.74 -0.96 -4.50 119.66 118.43 3jxa s GLN 138 Ca 0.00 -1.42 -0.17 0.00 0.05 0.00 0.00 55.36 53.82 3jxa s GLN 138 Cb 0.00 -2.49 -0.06 0.00 1.10 0.00 0.00 33.01 31.57 3jxa s GLN 138 CO 0.00 -0.16 0.48 0.20 -0.55 0.00 0.00 175.29 175.26 3jxa s GLY 139 N -4.16 2.53 0.26 2.59 0.00 -1.24 -0.03 107.32 107.27 3jxa s GLY 139 Ca 0.48 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 45.15 3jxa s GLY 139 CO 0.29 0.42 -0.07 1.06 0.00 0.00 0.00 173.10 174.80 3jxa s MET 140 N -0.64 1.50 -0.21 2.90 -1.94 0.73 -5.00 119.30 116.64 3jxa s MET 140 Ca 0.26 -1.74 -0.04 0.00 -1.71 0.00 0.00 55.69 52.46 3jxa s MET 140 Cb -0.17 -1.13 0.10 0.00 2.01 0.00 0.00 34.83 35.64 3jxa s MET 140 CO 0.15 0.06 0.30 0.54 -0.01 0.00 0.00 175.02 176.06 3jxa s VAL 141 N -3.02 -0.47 -0.36 -6.03 0.11 -1.26 -1.35 120.40 108.02 3jxa s VAL 141 Ca 0.28 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 3jxa s VAL 141 Cb 0.03 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3jxa s VAL 141 CO 0.11 -0.10 0.54 -0.76 -3.33 0.00 0.00 175.10 171.56 3jxa s LEU 142 N 2.45 4.36 -0.10 2.54 1.02 0.74 -4.91 118.68 124.78 3jxa s LEU 142 Ca 0.08 -0.04 -0.30 0.00 0.02 0.00 0.00 54.13 53.89 3jxa s LEU 142 Cb -0.15 -2.63 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 3jxa s LEU 142 CO -0.13 -0.53 1.35 -0.76 0.02 0.00 0.00 176.35 176.30 3jxa s LEU 143 N 2.47 4.25 -0.05 1.79 1.43 -1.26 -0.77 118.68 126.54 3jxa s LEU 143 Ca 0.20 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 3jxa s LEU 143 Cb -0.15 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3jxa s LEU 143 CO 0.14 -0.75 0.59 0.00 0.23 0.00 0.00 176.35 176.56 3jxa n GLY 145 N 0.72 -1.38 3.73 0.00 0.00 -1.26 -4.97 105.19 102.03 3jxa n GLY 145 Ca -0.06 1.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.68 3jxa n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jxa s PRO 146 N -2.35 2.27 0.66 1.61 0.02 -1.26 -5.04 135.00 130.91 3jxa s PRO 146 Ca 0.21 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 3jxa s PRO 146 Cb -0.06 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3jxa s PRO 146 CO 0.67 -1.71 1.05 -2.14 -0.33 0.00 0.00 177.00 174.54 3jxa s PRO 147 N -4.04 3.25 0.38 5.54 0.02 -1.26 -5.00 135.00 133.90 3jxa s PRO 147 Ca 0.71 0.79 -0.25 0.00 0.02 0.00 0.00 61.00 62.27 3jxa s PRO 147 Cb -0.26 -2.04 -0.11 0.00 0.02 0.00 0.00 34.50 32.11 3jxa s PRO 147 CO 0.45 -0.83 1.05 -2.30 -0.33 0.00 0.00 177.00 175.04 3jxa n PRO 148 N -2.93 1.46 -3.83 5.54 -0.02 -1.26 -4.75 135.00 129.21 3jxa n PRO 148 Ca 0.07 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3jxa n PRO 148 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3jxa n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3jxa s HIS 149 N -1.21 -0.03 -0.16 6.00 -3.43 -1.26 -2.57 115.29 112.63 3jxa s HIS 149 Ca 0.61 -0.55 -0.04 0.00 -0.80 0.00 0.00 55.06 54.28 3jxa s HIS 149 Cb -0.58 0.78 0.08 0.00 -1.43 0.00 0.00 32.58 31.42 3jxa s HIS 149 CO 0.58 -1.41 0.22 0.45 -2.00 0.00 0.00 174.74 172.59 3jxa s SER 150 N -3.00 0.91 0.00 7.38 0.15 -0.77 -4.92 113.70 113.45 3jxa s SER 150 Ca 0.13 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.94 3jxa s SER 150 Cb -0.05 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3jxa s SER 150 CO 0.09 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.86 3jxa n GLY 151 N 5.33 3.19 3.70 9.45 0.00 -1.26 -2.75 105.19 122.86 3jxa n GLY 151 Ca -0.05 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3jxa n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jxa s GLU 152 N -2.46 4.44 0.05 1.61 2.12 -1.26 -4.94 118.70 118.26 3jxa s GLU 152 Ca 0.00 1.64 0.01 0.00 0.36 0.00 0.00 54.97 56.98 3jxa s GLU 152 Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3jxa s GLU 152 CO 0.00 -0.26 0.13 -0.51 -0.54 0.00 0.00 175.26 174.08 3jxa s LEU 153 N 1.40 4.03 0.15 2.70 1.43 -1.26 -1.18 118.68 125.95 3jxa s LEU 153 Ca 0.56 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.89 3jxa s LEU 153 Cb -0.25 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 3jxa s LEU 153 CO 0.26 0.20 -0.20 -0.94 0.23 0.00 0.00 176.35 175.90 3jxa s SER 154 N -2.27 3.74 0.04 2.29 1.04 -0.07 -4.91 113.70 113.55 3jxa s SER 154 Ca 0.30 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 56.13 3jxa s SER 154 Cb -0.12 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 3jxa s SER 154 CO 0.22 0.15 -0.21 -0.31 0.98 0.00 0.00 173.24 174.08 3jxa s TYR 155 N -1.34 1.80 0.04 5.02 2.02 -1.26 -0.77 117.35 122.86 3jxa s TYR 155 Ca 0.19 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 3jxa s TYR 155 Cb -0.10 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 3jxa s TYR 155 CO 0.10 0.09 0.10 0.00 -1.57 0.00 0.00 175.55 174.27 3jxa s ALA 156 N -0.80 -0.06 0.12 3.71 0.00 -0.64 -4.95 121.76 119.13 3jxa s ALA 156 Ca 0.07 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.57 3jxa s ALA 156 Cb -0.09 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3jxa s ALA 156 CO 0.02 -0.33 -0.26 -1.58 0.00 0.00 0.00 175.76 173.60 3jxa s TRP 157 N -2.72 2.25 -0.17 0.00 0.52 -1.26 -0.50 118.94 117.06 3jxa s TRP 157 Ca -0.04 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.70 3jxa s TRP 157 Cb -0.00 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 31.08 3jxa s TRP 157 CO -0.05 0.30 -0.16 0.42 0.02 0.00 0.00 176.95 177.48 3jxa s ILE 158 N -1.04 2.50 -0.27 2.03 1.01 0.01 -0.69 121.20 124.75 3jxa s ILE 158 Ca 0.13 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3jxa s ILE 158 Cb -0.10 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3jxa s ILE 158 CO 0.05 0.52 0.07 0.12 0.00 0.00 0.00 174.94 175.70 3jxa s PHE 159 N 1.01 3.11 -1.31 3.97 5.36 0.41 -2.14 117.98 128.39 3jxa s PHE 159 Ca -0.02 -0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 55.14 3jxa s PHE 159 Cb -0.15 -2.24 -0.00 0.00 -0.34 0.00 0.00 43.02 40.29 3jxa s PHE 159 CO -0.04 -0.50 0.61 0.09 -1.46 0.00 0.00 175.22 173.93 3jxa n ASN 160 N 4.88 -1.68 0.00 6.13 3.02 -0.61 -2.14 115.26 124.87 3jxa n ASN 160 Ca -0.15 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3jxa n ASN 160 Cb 0.49 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 3jxa n ASN 160 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jxa n GLU 161 N -4.28 -0.78 -4.05 3.52 -0.58 -1.26 -4.97 120.64 108.24 3jxa n GLU 161 Ca -0.26 0.20 -0.14 0.00 -0.42 0.00 0.00 57.16 56.53 3jxa n GLU 161 Cb 0.67 -3.80 -0.14 0.00 -0.57 0.00 0.00 31.44 27.60 3jxa n GLU 161 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3jxa s TYR 162 N -1.65 0.36 -0.06 -0.32 5.04 -0.91 -5.10 117.35 114.72 3jxa s TYR 162 Ca 0.00 -0.17 -0.38 0.00 -2.44 0.00 0.00 57.07 54.08 3jxa s TYR 162 Cb 0.00 -0.23 -0.16 0.00 0.35 0.00 0.00 41.96 41.92 3jxa s TYR 162 CO 0.00 -0.03 1.50 -2.30 -1.34 0.00 0.00 175.55 173.38 3jxa n PRO 163 N 2.63 1.17 -1.87 4.97 -0.02 -1.26 -0.44 135.00 140.17 3jxa n PRO 163 Ca -0.15 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3jxa n PRO 163 Cb 0.58 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 3jxa n PRO 163 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3jxa s SER 164 N 1.70 6.51 0.05 2.55 0.15 0.13 -4.63 113.70 120.17 3jxa s SER 164 Ca 0.90 2.75 -0.28 0.00 0.70 0.00 0.00 55.95 60.02 3jxa s SER 164 Cb -0.99 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 60.66 3jxa s SER 164 CO 0.54 -0.85 0.89 -0.47 1.20 0.00 0.00 173.24 174.55 3jxa s TYR 165 N 0.66 3.74 -0.14 3.44 6.14 -1.26 -4.87 117.35 125.05 3jxa s TYR 165 Ca 0.67 1.65 -0.04 0.00 0.64 0.00 0.00 57.07 59.99 3jxa s TYR 165 Cb -0.45 -2.99 -0.03 0.00 0.42 0.00 0.00 41.96 38.90 3jxa s TYR 165 CO 0.38 0.16 0.00 -0.65 0.64 0.00 0.00 175.55 176.08 3jxa s GLN 166 N 0.28 3.56 0.00 4.97 -0.21 -1.26 -4.79 119.66 122.21 3jxa s GLN 166 Ca 0.45 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.40 3jxa s GLN 166 Cb -0.22 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 30.83 3jxa s GLN 166 CO 0.27 0.39 0.00 -0.40 -2.12 0.00 0.00 175.29 173.43 3jxa n ASP 167 N 3.10 0.00 0.18 5.90 5.68 -0.41 -4.95 116.55 126.05 3jxa n ASP 167 Ca -0.18 -0.15 0.14 0.00 -0.50 0.00 0.00 54.79 54.10 3jxa n ASP 167 Cb 0.53 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 3jxa n ASP 167 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3jxa h ASN 168 N 0.00 0.00 0.00 -1.12 -0.00 -1.89 -2.92 115.58 109.66 3jxa h ASN 168 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.05 3jxa h ASN 168 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.27 3jxa h ASN 168 CO 0.00 0.00 -2.06 -1.14 -0.00 0.00 0.00 177.43 174.23 3jxa n ARG 169 N -2.47 1.20 -5.17 4.14 0.63 -1.26 -4.83 116.66 108.90 3jxa n ARG 169 Ca 0.00 -0.03 -0.32 0.00 -0.92 0.00 0.00 57.85 56.58 3jxa n ARG 169 Cb 0.18 -1.42 -0.16 0.00 0.45 0.00 0.00 32.46 31.51 3jxa n ARG 169 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3jxa s ARG 170 N -2.54 2.94 -0.03 -0.14 3.00 -1.10 -0.38 118.95 120.70 3jxa s ARG 170 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 55.73 54.77 3jxa s ARG 170 Cb 0.06 -2.30 0.01 0.00 0.00 0.00 0.00 34.95 32.72 3jxa s ARG 170 CO 0.68 0.25 0.08 0.12 0.00 0.00 0.00 175.30 176.43 3jxa s PHE 171 N 0.17 -0.09 -0.20 -0.53 5.36 -0.48 -1.29 117.98 120.92 3jxa s PHE 171 Ca -0.13 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 3jxa s PHE 171 Cb -0.16 -0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 3jxa s PHE 171 CO 0.07 -0.06 -0.15 0.08 -1.46 0.00 0.00 175.22 173.69 3jxa s VAL 172 N 0.30 2.37 -0.03 3.12 1.01 -1.26 -0.28 120.40 125.63 3jxa s VAL 172 Ca -0.02 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3jxa s VAL 172 Cb -0.03 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3jxa s VAL 172 CO -0.01 0.45 1.09 -0.55 0.00 0.00 0.00 175.10 176.08 3jxa s SER 173 N 1.31 7.20 0.00 3.32 0.15 -0.99 -4.91 113.70 119.77 3jxa s SER 173 Ca 0.04 1.75 0.30 0.00 0.70 0.00 0.00 55.95 58.73 3jxa s SER 173 Cb -0.14 -2.57 1.43 0.00 -1.71 0.00 0.00 66.02 63.03 3jxa s SER 173 CO -0.10 -0.43 1.96 0.00 1.20 0.00 0.00 173.24 175.87 3jxa n GLN 174 N 4.50 1.12 -0.10 5.44 1.13 -1.26 -0.87 117.38 127.34 3jxa n GLN 174 Ca 0.09 -0.38 -0.12 0.00 -1.94 0.00 0.00 57.00 54.64 3jxa n GLN 174 Cb 0.48 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.22 3jxa n GLN 174 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3jxa n GLU 175 N -0.61 0.82 -0.04 -1.09 4.71 -1.26 -4.72 120.64 118.45 3jxa n GLU 175 Ca 0.19 0.07 -0.02 0.00 -0.01 0.00 0.00 57.16 57.39 3jxa n GLU 175 Cb 0.24 -1.45 -0.09 0.00 -1.01 0.00 0.00 31.44 29.13 3jxa n GLU 175 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3jxa n THR 176 N -2.92 0.53 0.00 2.62 -2.24 -1.25 -5.01 114.28 106.01 3jxa n THR 176 Ca -0.35 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3jxa n THR 176 Cb 0.99 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3jxa n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxa n GLY 177 N 2.13 2.10 3.71 3.38 0.00 -0.05 -4.54 105.19 111.92 3jxa n GLY 177 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3jxa n GLY 177 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jxa s ASN 178 N -3.01 3.95 -0.27 1.61 0.01 -1.26 -4.25 114.94 111.72 3jxa s ASN 178 Ca 0.00 2.28 -0.04 0.00 -0.71 0.00 0.00 52.86 54.39 3jxa s ASN 178 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3jxa s ASN 178 CO 0.00 -2.42 0.01 -0.22 -1.51 0.00 0.00 177.10 172.95 3jxa s LEU 179 N -5.51 3.46 -0.34 0.60 2.96 0.05 -2.36 118.68 117.54 3jxa s LEU 179 Ca 0.72 -0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 3jxa s LEU 179 Cb -0.27 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3jxa s LEU 179 CO 0.49 -0.14 0.22 -0.31 -1.32 0.00 0.00 176.35 175.29 3jxa s TYR 180 N 1.42 3.22 -0.27 5.38 1.51 0.62 -0.18 117.35 129.04 3jxa s TYR 180 Ca 0.02 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 3jxa s TYR 180 Cb -0.17 -2.45 -0.05 0.00 -0.11 0.00 0.00 41.96 39.18 3jxa s TYR 180 CO -0.01 -0.39 0.23 0.42 -1.11 0.00 0.00 175.55 174.69 3jxa s ILE 181 N 1.69 5.28 0.13 2.71 1.01 -0.46 -1.39 121.20 130.18 3jxa s ILE 181 Ca 0.06 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 3jxa s ILE 181 Cb -0.17 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 3jxa s ILE 181 CO 0.10 0.24 1.40 0.00 0.00 0.00 0.00 174.94 176.68 3jxa h ALA 182 N 8.19 0.46 -1.62 9.38 0.00 -0.97 0.21 119.26 134.91 3jxa h ALA 182 Ca -0.35 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 3jxa h ALA 182 Cb 1.18 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 3jxa h ALA 182 CO 0.59 0.68 -0.42 0.21 0.00 0.00 0.00 179.25 180.32 3jxa s LYS 183 N -4.04 0.42 0.09 0.00 2.20 -1.25 -2.74 119.74 114.41 3jxa s LYS 183 Ca -0.10 0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 55.88 3jxa s LYS 183 Cb 0.10 -0.16 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 3jxa s LYS 183 CO 0.89 -0.63 1.39 0.08 -0.36 0.00 0.00 175.35 176.71 3jxa s VAL 184 N 2.64 3.43 0.45 4.02 1.01 0.96 -4.85 120.40 128.06 3jxa s VAL 184 Ca 0.15 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.20 3jxa s VAL 184 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3jxa s VAL 184 CO -0.17 0.06 0.62 -1.61 0.00 0.00 0.00 175.10 173.99 3jxa s GLU 185 N 1.43 2.72 0.38 2.72 0.41 -1.26 -0.98 118.70 124.11 3jxa s GLU 185 Ca 0.64 -1.32 0.27 0.00 -0.41 0.00 0.00 54.97 54.16 3jxa s GLU 185 Cb -0.35 -2.73 0.87 0.00 -1.78 0.00 0.00 34.13 30.13 3jxa s GLU 185 CO 0.29 -0.40 1.77 -0.22 -0.49 0.00 0.00 175.26 176.22 3jxa h LYS 186 N 0.54 0.00 0.00 1.61 3.64 -2.00 -3.07 116.57 117.29 3jxa h LYS 186 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3jxa h LYS 186 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3jxa h LYS 186 CO 0.44 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.49 3jxa n SER 187 N -2.72 0.23 0.14 4.20 3.41 -1.26 -3.55 113.62 114.07 3jxa n SER 187 Ca 0.03 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3jxa n SER 187 Cb 0.38 -0.60 0.15 0.00 -0.26 0.00 0.00 64.21 63.88 3jxa n SER 187 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3jxa h ASP 188 N 0.00 0.00 -2.67 4.04 3.32 -1.95 -3.45 116.42 115.71 3jxa h ASP 188 Ca 0.00 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.49 3jxa h ASP 188 Cb 0.39 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.00 3jxa h ASP 188 CO 0.00 0.02 1.00 0.55 -1.72 0.00 0.00 179.24 179.09 3jxa n VAL 189 N -2.68 0.05 -1.40 -1.35 3.14 -1.23 -4.83 118.33 110.03 3jxa n VAL 189 Ca 0.03 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3jxa n VAL 189 Cb 0.51 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 3jxa n VAL 189 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jxa n GLY 190 N 3.86 -0.57 3.26 7.55 0.00 -1.12 -5.00 105.19 113.16 3jxa n GLY 190 Ca 0.16 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3jxa n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jxa s ASN 191 N -4.00 4.21 -0.23 1.61 0.01 -1.26 -1.77 114.94 113.51 3jxa s ASN 191 Ca 0.00 -0.56 -0.07 0.00 -0.71 0.00 0.00 52.86 51.52 3jxa s ASN 191 Cb 0.00 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 3jxa s ASN 191 CO 0.00 -0.06 0.06 -0.31 -1.51 0.00 0.00 177.10 175.29 3jxa s TYR 192 N 1.42 3.10 -0.00 2.20 2.02 0.32 -1.57 117.35 124.84 3jxa s TYR 192 Ca 0.04 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 3jxa s TYR 192 Cb -0.15 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3jxa s TYR 192 CO -0.04 -0.27 -0.12 -0.08 -1.57 0.00 0.00 175.55 173.46 3jxa s THR 193 N 1.38 0.94 -0.20 -0.71 -1.32 -0.91 -0.16 115.64 114.65 3jxa s THR 193 Ca 0.05 -0.55 -0.08 0.00 -1.21 0.00 0.00 61.69 59.90 3jxa s THR 193 Cb -0.15 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3jxa s THR 193 CO 0.03 0.23 0.09 0.00 -2.21 0.00 0.00 174.62 172.77 3jxa s VAL 195 N 0.58 4.93 -0.11 0.00 0.11 0.34 -1.04 120.40 125.20 3jxa s VAL 195 Ca 0.05 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 3jxa s VAL 195 Cb -0.12 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 3jxa s VAL 195 CO 0.01 0.29 0.02 0.54 -3.33 0.00 0.00 175.10 172.62 3jxa s VAL 196 N 1.68 4.45 -0.05 2.04 0.11 -0.43 -1.62 120.40 126.57 3jxa s VAL 196 Ca 0.07 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 3jxa s VAL 196 Cb -0.16 -2.91 -0.01 0.00 -1.53 0.00 0.00 36.38 31.77 3jxa s VAL 196 CO 0.08 0.57 -0.25 -0.89 -3.33 0.00 0.00 175.10 171.28 3jxa s THR 197 N -0.51 2.01 -0.65 5.04 2.01 0.06 -1.79 115.64 121.80 3jxa s THR 197 Ca 0.09 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.84 3jxa s THR 197 Cb -0.12 -1.69 0.09 0.00 0.01 0.00 0.00 72.50 70.78 3jxa s THR 197 CO 0.02 0.56 0.88 0.21 -0.69 0.00 0.00 174.62 175.60 3jxa s ASN 198 N -0.21 6.21 0.62 3.53 3.84 -0.10 -0.89 114.94 127.93 3jxa s ASN 198 Ca -0.02 -1.22 0.30 0.00 0.21 0.00 0.00 52.86 52.13 3jxa s ASN 198 Cb -0.13 -2.38 1.61 0.00 -0.55 0.00 0.00 41.25 39.80 3jxa s ASN 198 CO 0.03 -1.30 1.97 0.71 -2.79 0.00 0.00 177.10 175.72 3jxa h THR 199 N 5.94 0.25 0.07 -5.21 1.35 -1.46 1.25 112.91 115.10 3jxa h THR 199 Ca -0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3jxa h THR 199 Cb 1.07 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3jxa h THR 199 CO 1.15 0.00 -0.04 0.58 -0.25 0.00 0.00 175.52 176.96 3jxa h VAL 200 N 0.00 0.96 0.00 6.82 2.07 -1.92 -3.37 116.25 120.81 3jxa h VAL 200 Ca 0.10 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3jxa h VAL 200 Cb 0.79 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3jxa h VAL 200 CO -0.00 0.29 -1.11 0.35 0.02 0.00 0.00 177.57 177.12 3jxa n THR 201 N -4.80 0.67 -1.01 2.57 -2.24 -0.86 -4.95 114.28 103.67 3jxa n THR 201 Ca -0.07 -0.57 -0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3jxa n THR 201 Cb 0.27 -0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3jxa n THR 201 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jxa n ASN 202 N -2.69 -4.05 -4.75 3.42 2.85 0.43 -5.01 115.26 105.47 3jxa n ASN 202 Ca -0.02 0.01 -0.38 0.00 -0.11 0.00 0.00 54.58 54.08 3jxa n ASN 202 Cb 0.59 -1.58 0.04 0.00 1.24 0.00 0.00 39.78 40.08 3jxa n ASN 202 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3jxa s HIS 203 N -1.68 2.33 -0.05 1.20 5.65 -1.24 -4.72 115.29 116.78 3jxa s HIS 203 Ca 0.00 1.41 -0.03 0.00 0.25 0.00 0.00 55.06 56.69 3jxa s HIS 203 Cb 0.00 -3.73 0.03 0.00 -1.18 0.00 0.00 32.58 27.70 3jxa s HIS 203 CO 0.00 -2.72 0.12 0.21 -0.65 0.00 0.00 174.74 171.70 3jxa s LYS 204 N -2.96 0.08 0.03 2.88 2.20 -1.26 -0.93 119.74 119.78 3jxa s LYS 204 Ca 0.72 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 56.68 3jxa s LYS 204 Cb -0.38 -0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 35.77 3jxa s LYS 204 CO 0.45 -0.14 -0.11 0.14 -0.36 0.00 0.00 175.35 175.32 3jxa s VAL 205 N 0.95 0.90 -0.13 4.02 -7.23 -0.74 -5.01 120.40 113.17 3jxa s VAL 205 Ca -0.07 -0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 3jxa s VAL 205 Cb -0.10 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 3jxa s VAL 205 CO -0.04 -0.00 0.04 -0.76 -0.31 0.00 0.00 175.10 174.02 3jxa s LEU 206 N -0.94 3.75 0.74 1.32 1.43 -1.26 -1.31 118.68 122.41 3jxa s LEU 206 Ca 0.00 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3jxa s LEU 206 Cb -0.07 -1.90 0.10 0.00 0.03 0.00 0.00 46.19 44.35 3jxa s LEU 206 CO 0.01 0.30 1.05 -0.83 0.23 0.00 0.00 176.35 177.10 3jxa s GLY 207 N -0.40 1.74 0.44 -3.19 0.00 -0.21 -4.70 107.32 101.01 3jxa s GLY 207 Ca 0.09 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.32 3jxa s GLY 207 CO 0.02 -0.73 1.27 -4.14 0.00 0.00 0.00 173.10 169.52 3jxa s PRO 208 N -5.30 3.76 0.08 2.90 0.02 -1.26 -4.55 135.00 130.66 3jxa s PRO 208 Ca 0.64 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3jxa s PRO 208 Cb -0.08 -2.57 -0.06 0.00 0.02 0.00 0.00 34.50 31.81 3jxa s PRO 208 CO 0.46 -0.63 1.17 -2.14 -0.33 0.00 0.00 177.00 175.52 3jxa s PRO 209 N -2.48 4.46 -0.19 5.54 0.02 -1.26 -4.60 135.00 136.49 3jxa s PRO 209 Ca 0.61 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 63.34 3jxa s PRO 209 Cb -0.36 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 3jxa s PRO 209 CO 0.45 -0.19 -0.05 -0.08 -0.33 0.00 0.00 177.00 176.79 3jxa s THR 210 N 0.84 3.42 0.28 0.99 -1.32 0.77 -4.28 115.64 116.34 3jxa s THR 210 Ca 0.57 -0.49 -0.23 0.00 -1.21 0.00 0.00 61.69 60.32 3jxa s THR 210 Cb -0.29 -2.53 -0.09 0.00 -1.51 0.00 0.00 72.50 68.08 3jxa s THR 210 CO 0.30 0.45 0.84 -2.84 -2.21 0.00 0.00 174.62 171.17 3jxa s PRO 211 N 1.10 4.44 0.05 7.08 0.02 -1.26 -0.52 135.00 145.91 3jxa s PRO 211 Ca 0.01 1.12 0.06 0.00 0.02 0.00 0.00 61.00 62.21 3jxa s PRO 211 Cb -0.15 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 3jxa s PRO 211 CO -0.01 0.34 -0.16 -0.48 -0.33 0.00 0.00 177.00 176.36 3jxa s LEU 212 N -2.00 2.20 0.11 -5.54 0.05 -0.73 -1.18 118.68 111.59 3jxa s LEU 212 Ca 0.47 -0.52 -0.03 0.00 0.05 0.00 0.00 54.13 54.10 3jxa s LEU 212 Cb -0.18 -0.70 -0.03 0.00 -2.05 0.00 0.00 46.19 43.24 3jxa s LEU 212 CO 0.23 0.05 0.08 0.27 -0.55 0.00 0.00 176.35 176.42 3jxa s ILE 213 N -0.94 0.13 0.00 1.48 -4.36 -1.12 -2.81 121.20 113.59 3jxa s ILE 213 Ca 0.03 -1.73 -0.21 0.00 -0.26 0.00 0.00 60.65 58.48 3jxa s ILE 213 Cb -0.09 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.78 3jxa s ILE 213 CO 0.02 -0.61 0.60 -0.76 0.24 0.00 0.00 174.94 174.43 3jxa s LEU 214 N -2.98 4.42 0.60 0.37 1.43 -1.26 -2.36 118.68 118.91 3jxa s LEU 214 Ca 0.16 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 3jxa s LEU 214 Cb 0.07 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3jxa s LEU 214 CO -0.03 0.11 1.04 -0.13 0.23 0.00 0.00 176.35 177.56 3jxa s ARG 215 N -0.23 3.39 0.00 1.70 0.52 -0.72 -4.90 118.95 118.71 3jxa s ARG 215 Ca 0.31 1.05 0.23 0.00 -0.52 0.00 0.00 55.73 56.80 3jxa s ARG 215 Cb -0.18 -2.05 0.08 0.00 0.52 0.00 0.00 34.95 33.31 3jxa s ARG 215 CO 0.18 -0.74 1.16 -1.71 0.02 0.00 0.00 175.30 174.20 3jxa n ASN 216 N -2.27 2.39 -0.06 0.23 5.15 -1.26 -4.62 115.26 114.82 3jxa n ASN 216 Ca 0.08 -1.70 -0.04 0.00 -0.60 0.00 0.00 54.58 52.33 3jxa n ASN 216 Cb 0.53 0.29 -0.03 0.00 -0.53 0.00 0.00 39.78 40.05 3jxa n ASN 216 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 3jxa h ASP 217 N 3.29 -0.53 0.00 1.20 1.82 -1.97 -3.47 116.42 116.75 3jxa h ASP 217 Ca 0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 3jxa h ASP 217 Cb 0.85 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.08 3jxa h ASP 217 CO 0.00 -0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.14 3jxa n GLY 218 N -1.09 1.32 3.79 -0.78 0.00 -1.26 -5.15 105.19 102.01 3jxa n GLY 218 Ca -0.01 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 3jxa n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxa s VAL 219 N -2.00 4.90 0.11 1.61 1.01 -1.26 -4.36 120.40 120.40 3jxa s VAL 219 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.84 3jxa s VAL 219 Cb 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3jxa s VAL 219 CO 0.00 0.49 0.83 -0.32 0.00 0.00 0.00 175.10 176.10 3jxa s MET 220 N -0.62 4.60 0.70 2.72 1.75 -1.21 -5.04 119.30 122.20 3jxa s MET 220 Ca 0.28 1.22 -0.05 0.00 -1.25 0.00 0.00 55.69 55.89 3jxa s MET 220 Cb -0.18 -3.33 0.08 0.00 2.84 0.00 0.00 34.83 34.23 3jxa s MET 220 CO 0.16 0.37 0.99 0.20 -0.65 0.00 0.00 175.02 176.09 3jxa s GLY 221 N -0.44 1.73 0.33 2.11 0.00 -1.26 -4.78 107.32 105.02 3jxa s GLY 221 Ca 0.40 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.70 3jxa s GLY 221 CO 0.26 -0.69 1.52 -0.54 0.00 0.00 0.00 173.10 173.64 3jxa s GLU 222 N -5.20 4.14 0.14 2.90 2.02 -1.26 -4.79 118.70 116.65 3jxa s GLU 222 Ca 0.62 2.54 -0.10 0.00 0.02 0.00 0.00 54.97 58.04 3jxa s GLU 222 Cb -0.09 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.13 3jxa s GLU 222 CO 0.44 -0.55 0.29 1.52 0.02 0.00 0.00 175.26 176.99 3jxa s TYR 223 N -0.59 0.23 0.50 1.61 -0.85 0.35 -4.94 117.35 113.66 3jxa s TYR 223 Ca 0.57 -0.61 -0.21 0.00 -0.52 0.00 0.00 57.07 56.30 3jxa s TYR 223 Cb -0.46 0.01 -0.08 0.00 0.38 0.00 0.00 41.96 41.81 3jxa s TYR 223 CO 0.55 -0.69 0.92 0.39 -1.52 0.00 0.00 175.55 175.20 3jxa n GLU 224 N -0.19 1.08 -2.24 -3.49 1.02 -1.26 -3.36 120.64 112.19 3jxa n GLU 224 Ca -0.10 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 3jxa n GLU 224 Cb 0.63 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3jxa n GLU 224 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3jxa s PRO 225 N -2.25 4.44 -0.25 3.49 0.02 -1.26 -4.65 135.00 134.54 3jxa s PRO 225 Ca 0.68 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.77 3jxa s PRO 225 Cb -0.50 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 30.94 3jxa s PRO 225 CO 0.53 -0.10 -0.09 0.21 -0.33 0.00 0.00 177.00 177.22 3jxa s LYS 226 N -1.14 2.07 0.10 5.54 2.47 -0.97 -4.62 119.74 123.19 3jxa s LYS 226 Ca 0.50 -1.23 -0.31 0.00 -1.56 0.00 0.00 55.97 53.37 3jxa s LYS 226 Cb -0.37 -2.79 -0.09 0.00 -1.46 0.00 0.00 37.83 33.12 3jxa s LYS 226 CO 0.45 -0.57 1.71 0.42 0.16 0.00 0.00 175.35 177.52 3jxa s ILE 227 N 1.19 2.79 -0.01 5.43 1.01 -1.26 -1.83 121.20 128.52 3jxa s ILE 227 Ca -0.08 0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.97 3jxa s ILE 227 Cb -0.20 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.95 3jxa s ILE 227 CO -0.05 0.00 0.18 1.21 0.00 0.00 0.00 174.94 176.28 3jxa n GLU 228 N 5.44 0.26 -4.16 2.79 4.07 -0.54 -4.93 120.64 123.57 3jxa n GLU 228 Ca 0.16 -0.07 -0.27 0.00 -0.06 0.00 0.00 57.16 56.92 3jxa n GLU 228 Cb 0.39 -1.19 -0.17 0.00 -0.06 0.00 0.00 31.44 30.41 3jxa n GLU 228 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3jxa s VAL 229 N -2.57 1.21 0.25 6.31 1.01 -1.13 -5.03 120.40 120.45 3jxa s VAL 229 Ca -0.03 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3jxa s VAL 229 Cb 0.05 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3jxa s VAL 229 CO 0.34 0.39 -0.05 -1.10 0.00 0.00 0.00 175.10 174.68 3jxa s GLN 230 N 1.32 1.42 0.27 2.72 -0.21 -1.26 -2.40 119.66 121.52 3jxa s GLN 230 Ca -0.01 -1.70 -0.19 0.00 0.02 0.00 0.00 55.36 53.48 3jxa s GLN 230 Cb -0.14 -0.93 -0.09 0.00 1.00 0.00 0.00 33.01 32.85 3jxa s GLN 230 CO -0.05 0.01 0.75 -0.59 -2.12 0.00 0.00 175.29 173.29 3jxa s PHE 231 N -3.17 3.56 0.92 0.91 -0.12 -0.86 -4.82 117.98 114.40 3jxa s PHE 231 Ca 0.27 1.37 -0.16 0.00 -0.05 0.00 0.00 56.93 58.36 3jxa s PHE 231 Cb 0.04 -2.62 -0.08 0.00 -0.63 0.00 0.00 43.02 39.73 3jxa s PHE 231 CO 0.09 0.24 -0.22 -2.30 -0.05 0.00 0.00 175.22 172.98 3jxa n PRO 232 N 0.34 -0.06 0.21 1.99 -0.02 -1.26 -4.77 135.00 131.42 3jxa n PRO 232 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3jxa n PRO 232 Cb 0.52 -1.36 0.46 0.00 -0.02 0.00 0.00 33.50 33.09 3jxa n PRO 232 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jxa h GLU 233 N -1.04 0.00 -4.55 -0.52 5.08 -1.94 -3.40 114.58 108.21 3jxa h GLU 233 Ca -0.44 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.43 3jxa h GLU 233 Cb 1.31 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 3jxa h GLU 233 CO 0.30 0.29 -0.81 0.99 -1.00 0.00 0.00 179.01 178.79 3jxa s THR 234 N -3.94 1.03 -0.29 1.13 2.01 -1.26 -0.26 115.64 114.05 3jxa s THR 234 Ca -0.02 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.56 3jxa s THR 234 Cb 0.13 -0.94 0.09 0.00 0.01 0.00 0.00 72.50 71.78 3jxa s THR 234 CO 0.67 0.33 0.05 -0.69 -0.69 0.00 0.00 174.62 174.28 3jxa s VAL 235 N 0.57 1.35 0.20 3.82 1.01 0.35 -4.89 120.40 122.81 3jxa s VAL 235 Ca -0.12 -1.53 -0.32 0.00 0.00 0.00 0.00 61.98 60.01 3jxa s VAL 235 Cb -0.14 -1.90 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 3jxa s VAL 235 CO 0.03 -0.49 1.73 -2.65 0.00 0.00 0.00 175.10 173.72 3jxa n PRO 236 N 4.67 2.77 -3.88 2.72 -0.02 -1.26 -1.53 135.00 138.48 3jxa n PRO 236 Ca -0.03 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 3jxa n PRO 236 Cb 0.43 -2.85 -0.16 0.00 -0.02 0.00 0.00 33.50 30.90 3jxa n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jxa s ALA 237 N 1.28 1.72 0.15 3.55 0.00 -0.72 -4.88 121.76 122.86 3jxa s ALA 237 Ca 0.76 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 3jxa s ALA 237 Cb -0.51 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.14 3jxa s ALA 237 CO 0.33 -1.24 1.07 -2.00 0.00 0.00 0.00 175.76 173.91 3jxa s GLU 238 N 1.51 4.61 0.35 0.00 2.12 -1.26 -2.17 118.70 123.86 3jxa s GLU 238 Ca -0.03 1.65 -0.28 0.00 0.36 0.00 0.00 54.97 56.66 3jxa s GLU 238 Cb -0.18 -3.31 -0.11 0.00 0.26 0.00 0.00 34.13 30.79 3jxa s GLU 238 CO -0.08 0.09 1.46 -1.59 -0.54 0.00 0.00 175.26 174.60 3jxa s LYS 239 N -0.16 4.16 0.00 4.30 -2.85 -0.17 -2.68 119.74 122.34 3jxa s LYS 239 Ca 0.49 2.50 0.00 0.00 -1.00 0.00 0.00 55.97 57.96 3jxa s LYS 239 Cb -0.28 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 3jxa s LYS 239 CO 0.33 -0.48 0.00 0.41 0.10 0.00 0.00 175.35 175.71 3jxa n GLY 240 N 0.80 2.55 3.24 0.59 0.00 -0.80 -4.83 105.19 106.75 3jxa n GLY 240 Ca 0.02 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3jxa n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jxa n THR 241 N 0.00 0.00 -4.06 2.61 -2.24 -1.09 -3.06 114.28 106.44 3jxa n THR 241 Ca 0.00 -0.40 -0.32 0.00 -2.27 0.00 0.00 64.05 61.06 3jxa n THR 241 Cb 0.00 -1.19 -0.15 0.00 -2.10 0.00 0.00 70.33 66.89 3jxa n THR 241 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3jxa s THR 242 N -2.77 2.14 -0.09 4.28 -1.32 -1.26 -1.56 115.64 115.06 3jxa s THR 242 Ca 0.66 -1.65 -0.12 0.00 -1.21 0.00 0.00 61.69 59.36 3jxa s THR 242 Cb -0.07 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 3jxa s THR 242 CO 0.51 -0.06 0.30 0.68 -2.21 0.00 0.00 174.62 173.84 3jxa s VAL 243 N 1.10 5.26 -0.03 5.08 -7.23 -0.66 -4.84 120.40 119.09 3jxa s VAL 243 Ca -0.08 0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 3jxa s VAL 243 Cb -0.20 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 3jxa s VAL 243 CO -0.05 0.51 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.64 3jxa s LYS 244 N -0.45 2.64 -0.10 4.82 1.02 -1.26 -0.87 119.74 125.54 3jxa s LYS 244 Ca 0.19 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.57 3jxa s LYS 244 Cb -0.14 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3jxa s LYS 244 CO 0.07 0.63 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.39 3jxa s LEU 245 N -1.17 2.06 -0.13 3.17 1.43 0.38 -4.96 118.68 119.45 3jxa s LEU 245 Ca 0.15 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3jxa s LEU 245 Cb -0.11 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3jxa s LEU 245 CO 0.05 0.15 0.12 -1.61 0.23 0.00 0.00 176.35 175.30 3jxa s GLU 246 N 0.37 3.54 -0.30 1.70 2.02 -1.26 -1.53 118.70 123.24 3jxa s GLU 246 Ca -0.18 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.54 3jxa s GLU 246 Cb -0.18 -3.20 0.14 0.00 0.10 0.00 0.00 34.13 31.00 3jxa s GLU 246 CO 0.08 0.68 0.67 0.00 0.02 0.00 0.00 175.26 176.72 3jxa s PHE 248 N 2.86 -0.24 0.22 0.00 5.36 -1.01 -4.60 117.98 120.57 3jxa s PHE 248 Ca -0.01 0.53 0.06 0.00 -0.96 0.00 0.00 56.93 56.55 3jxa s PHE 248 Cb -0.12 0.09 -0.05 0.00 -0.34 0.00 0.00 43.02 42.60 3jxa s PHE 248 CO -0.19 -0.23 -0.08 0.00 -1.46 0.00 0.00 175.22 173.25 3jxa s ALA 249 N -0.42 1.95 0.66 11.12 0.00 -1.26 -1.47 121.76 132.34 3jxa s ALA 249 Ca -0.05 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.25 3jxa s ALA 249 Cb -0.04 0.13 0.12 0.00 0.00 0.00 0.00 23.12 23.33 3jxa s ALA 249 CO 0.02 -0.07 0.91 -0.51 0.00 0.00 0.00 175.76 176.11 3jxa s LEU 250 N -3.32 3.00 0.00 0.00 1.43 -0.76 -4.70 118.68 114.33 3jxa s LEU 250 Ca 0.24 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3jxa s LEU 250 Cb 0.02 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3jxa s LEU 250 CO 0.07 -1.66 0.00 0.61 0.23 0.00 0.00 176.35 175.60 3jxa n GLY 251 N -2.56 3.83 2.97 -3.19 0.00 -1.11 -2.29 105.19 102.84 3jxa n GLY 251 Ca 0.16 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 3jxa n GLY 251 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jxa s ASN 252 N 0.00 2.13 1.23 1.61 3.04 -1.21 -3.64 114.94 118.09 3jxa s ASN 252 Ca 0.00 -0.33 -0.20 0.00 0.04 0.00 0.00 52.86 52.37 3jxa s ASN 252 Cb 0.00 -0.90 0.30 0.00 -1.54 0.00 0.00 41.25 39.11 3jxa s ASN 252 CO 0.00 -0.05 1.10 -2.84 -3.04 0.00 0.00 177.10 172.27 3jxa s PRO 253 N 1.27 -1.43 -0.03 0.43 0.02 -1.26 -0.50 135.00 133.51 3jxa s PRO 253 Ca -0.03 -0.08 -0.30 0.00 0.02 0.00 0.00 61.00 60.62 3jxa s PRO 253 Cb -0.14 -1.57 -0.08 0.00 0.02 0.00 0.00 34.50 32.73 3jxa s PRO 253 CO -0.04 -3.85 1.98 0.08 -0.33 0.00 0.00 177.00 174.84 3jxa s VAL 254 N -2.95 3.09 0.53 3.83 1.01 -1.24 -4.85 120.40 119.81 3jxa s VAL 254 Ca 0.71 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 3jxa s VAL 254 Cb -0.10 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3jxa s VAL 254 CO 0.56 -0.02 1.23 -2.84 0.00 0.00 0.00 175.10 174.03 3jxa s PRO 255 N 4.81 3.34 0.15 2.72 0.02 -1.26 -4.89 135.00 139.88 3jxa s PRO 255 Ca 0.89 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.84 3jxa s PRO 255 Cb -0.39 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 3jxa s PRO 255 CO 0.39 -0.93 0.28 0.95 -0.33 0.00 0.00 177.00 177.35 3jxa s THR 256 N -1.50 5.30 -0.08 0.99 -4.23 -0.31 -4.86 115.64 110.95 3jxa s THR 256 Ca 0.70 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 3jxa s THR 256 Cb -0.32 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 3jxa s THR 256 CO 0.37 -0.08 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.63 3jxa s ILE 257 N -1.73 3.34 0.07 2.99 -1.09 -1.26 -2.15 121.20 121.37 3jxa s ILE 257 Ca 0.34 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3jxa s ILE 257 Cb -0.11 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3jxa s ILE 257 CO 0.28 0.57 -0.13 -0.22 -1.23 0.00 0.00 174.94 174.21 3jxa s LEU 258 N -0.43 2.29 -0.11 2.97 2.96 0.09 -4.97 118.68 121.48 3jxa s LEU 258 Ca 0.06 -0.64 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3jxa s LEU 258 Cb -0.12 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.11 3jxa s LEU 258 CO 0.02 -0.11 -0.18 0.26 -1.32 0.00 0.00 176.35 175.03 3jxa s TRP 259 N -1.44 2.17 0.27 5.38 0.52 -1.26 -0.72 118.94 123.87 3jxa s TRP 259 Ca -0.01 -1.02 0.04 0.00 0.02 0.00 0.00 56.10 55.13 3jxa s TRP 259 Cb -0.09 -1.53 -0.06 0.00 -1.15 0.00 0.00 33.47 30.65 3jxa s TRP 259 CO 0.02 -0.49 0.03 1.03 0.02 0.00 0.00 176.95 177.56 3jxa s ARG 260 N 0.85 1.49 -0.22 4.98 0.52 -1.00 -4.98 118.95 120.58 3jxa s ARG 260 Ca -0.09 -1.79 -0.06 0.00 -0.52 0.00 0.00 55.73 53.28 3jxa s ARG 260 Cb -0.15 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.58 3jxa s ARG 260 CO -0.00 -0.15 0.02 1.03 0.02 0.00 0.00 175.30 176.22 3jxa s ARG 261 N -3.88 3.59 0.00 3.54 0.52 -1.26 -2.57 118.95 118.88 3jxa s ARG 261 Ca 0.33 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3jxa s ARG 261 Cb 0.07 -3.15 0.09 0.00 0.52 0.00 0.00 34.95 32.48 3jxa s ARG 261 CO 0.12 -0.09 0.36 0.00 0.02 0.00 0.00 175.30 175.71 3jxa n ALA 262 N 4.57 1.61 -1.20 2.13 0.00 -1.04 -0.41 120.51 126.17 3jxa n ALA 262 Ca -0.17 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.33 3jxa n ALA 262 Cb 0.51 -1.02 0.18 0.00 0.00 0.00 0.00 19.45 19.12 3jxa n ALA 262 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3jxa n ASP 263 N -0.73 2.55 0.00 0.00 5.68 -1.26 -4.99 116.55 117.80 3jxa n ASP 263 Ca 0.01 -3.31 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 3jxa n ASP 263 Cb 0.01 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 3jxa n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jxa n GLY 264 N -1.16 2.03 3.67 6.12 0.00 0.46 -4.96 105.19 111.35 3jxa n GLY 264 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3jxa n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxa n LYS 265 N -0.86 1.93 -1.49 1.61 5.02 -1.26 -4.91 118.16 118.20 3jxa n LYS 265 Ca 0.00 0.68 -0.34 0.00 -2.02 0.00 0.00 58.31 56.63 3jxa n LYS 265 Cb 0.00 -2.21 0.08 0.00 -0.02 0.00 0.00 35.03 32.89 3jxa n LYS 265 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3jxa s PRO 266 N -1.81 2.26 0.71 1.97 0.02 -1.26 -4.31 135.00 132.58 3jxa s PRO 266 Ca 0.56 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 3jxa s PRO 266 Cb -0.60 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.09 3jxa s PRO 266 CO 0.62 -1.72 1.11 -1.50 -0.33 0.00 0.00 177.00 175.17 3jxa s ILE 267 N -2.08 3.21 0.60 2.83 1.10 -1.26 -4.89 121.20 120.71 3jxa s ILE 267 Ca 0.72 0.50 0.29 0.00 -0.51 0.00 0.00 60.65 61.65 3jxa s ILE 267 Cb -0.27 -3.00 0.37 0.00 0.15 0.00 0.00 42.46 39.71 3jxa s ILE 267 CO 0.45 -0.41 2.02 0.00 -2.11 0.00 0.00 174.94 174.88 3jxa h ALA 268 N -0.43 1.90 0.00 1.50 0.00 -1.94 -3.45 119.26 116.83 3jxa h ALA 268 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jxa h ALA 268 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3jxa h ALA 268 CO 0.53 -0.45 0.00 -2.13 0.00 0.00 0.00 179.25 177.20 3jxa n ARG 269 N -3.70 0.00 0.19 0.00 0.00 -1.26 -4.55 116.66 107.34 3jxa n ARG 269 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 58.02 3jxa n ARG 269 Cb 0.45 0.00 0.41 0.00 0.00 0.00 0.00 32.46 33.32 3jxa n ARG 269 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 3jxa h LYS 270 N 0.00 0.00 -6.75 -0.14 2.10 -1.96 -3.44 116.57 106.38 3jxa h LYS 270 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 3jxa h LYS 270 Cb 0.00 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 31.39 3jxa h LYS 270 CO 0.00 0.00 0.80 0.00 -2.00 0.00 0.00 179.45 178.25 3jxa s ALA 271 N -3.31 3.67 0.44 0.07 0.00 -1.26 -4.56 121.76 116.81 3jxa s ALA 271 Ca 0.06 1.40 0.07 0.00 0.00 0.00 0.00 51.96 53.49 3jxa s ALA 271 Cb 0.09 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3jxa s ALA 271 CO 0.57 -0.81 0.35 1.03 0.00 0.00 0.00 175.76 176.90 3jxa s ARG 272 N -0.28 2.42 -0.12 0.00 0.52 -0.46 -4.95 118.95 116.08 3jxa s ARG 272 Ca 0.61 -1.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 3jxa s ARG 272 Cb -0.44 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 32.81 3jxa s ARG 272 CO 0.43 -0.25 -0.03 1.03 0.02 0.00 0.00 175.30 176.51 3jxa s ARG 273 N -4.11 1.05 0.36 3.54 3.00 -1.26 -2.92 118.95 118.61 3jxa s ARG 273 Ca 0.45 -0.18 0.06 0.00 0.00 0.00 0.00 55.73 56.06 3jxa s ARG 273 Cb -0.01 -1.48 -0.02 0.00 0.00 0.00 0.00 34.95 33.43 3jxa s ARG 273 CO 0.26 -0.36 0.22 1.58 0.00 0.00 0.00 175.30 177.00 3jxa n HIS 274 N 5.02 -0.38 -3.62 -0.53 -0.00 -1.21 -4.74 115.22 109.76 3jxa n HIS 274 Ca -0.10 -2.69 -0.21 0.00 0.46 0.00 0.00 57.72 55.18 3jxa n HIS 274 Cb 0.49 0.16 0.06 0.00 -0.12 0.00 0.00 29.99 30.58 3jxa n HIS 274 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3jxa n LYS 275 N -0.75 -5.93 -3.90 1.57 4.76 -1.26 -1.98 118.16 110.66 3jxa n LYS 275 Ca 0.02 0.72 -0.26 0.00 -2.87 0.00 0.00 58.31 55.93 3jxa n LYS 275 Cb 0.60 -5.54 -0.00 0.00 -1.84 0.00 0.00 35.03 28.25 3jxa n LYS 275 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3jxa n SER 276 N -3.06 -1.21 -2.00 4.39 3.41 -1.26 -1.32 113.62 112.57 3jxa n SER 276 Ca -0.23 -0.94 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 3jxa n SER 276 Cb 0.65 -3.38 -0.04 0.00 -0.26 0.00 0.00 64.21 61.18 3jxa n SER 276 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jxa n ASN 277 N -2.96 -4.78 0.04 4.04 5.03 -0.84 -4.79 115.26 111.01 3jxa n ASN 277 Ca -0.24 0.23 0.12 0.00 0.87 0.00 0.00 54.58 55.56 3jxa n ASN 277 Cb 0.65 -4.14 0.24 0.00 -1.02 0.00 0.00 39.78 35.52 3jxa n ASN 277 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jxa n GLY 278 N -0.65 -1.40 3.04 7.41 0.00 -0.44 -4.66 105.19 108.49 3jxa n GLY 278 Ca -0.19 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3jxa n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jxa s ILE 279 N -3.11 0.85 -0.17 -0.61 1.01 -1.14 -1.96 121.20 116.06 3jxa s ILE 279 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3jxa s ILE 279 Cb 0.15 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 3jxa s ILE 279 CO 0.69 0.25 -0.07 -0.22 0.00 0.00 0.00 174.94 175.59 3jxa s LEU 280 N -0.10 2.94 -0.08 2.97 2.96 -0.58 -3.29 118.68 123.50 3jxa s LEU 280 Ca 0.02 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3jxa s LEU 280 Cb -0.06 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3jxa s LEU 280 CO -0.00 0.09 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.45 3jxa s GLU 281 N 0.82 2.86 -0.31 1.98 2.02 -1.15 -0.47 118.70 124.45 3jxa s GLU 281 Ca -0.02 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.46 3jxa s GLU 281 Cb -0.15 -2.65 0.09 0.00 0.10 0.00 0.00 34.13 31.53 3jxa s GLU 281 CO 0.01 0.63 0.05 0.42 0.02 0.00 0.00 175.26 176.40 3jxa s ILE 282 N -0.72 1.61 0.43 -1.63 1.01 -0.05 -1.35 121.20 120.50 3jxa s ILE 282 Ca 0.11 -1.79 -0.22 0.00 0.00 0.00 0.00 60.65 58.75 3jxa s ILE 282 Cb -0.11 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.13 3jxa s ILE 282 CO 0.02 -0.54 1.03 -2.84 0.00 0.00 0.00 174.94 172.61 3jxa s PRO 283 N 1.26 4.03 -0.70 2.79 0.02 -1.26 -1.65 135.00 139.51 3jxa s PRO 283 Ca 0.08 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.43 3jxa s PRO 283 Cb -0.18 -2.34 0.01 0.00 0.02 0.00 0.00 34.50 32.01 3jxa s PRO 283 CO -0.14 -0.24 0.64 -1.71 -0.33 0.00 0.00 177.00 175.22 3jxa n ASN 284 N -0.46 -6.27 -4.73 2.53 5.15 -0.60 -4.84 115.26 106.04 3jxa n ASN 284 Ca 0.07 -0.38 -0.42 0.00 -0.60 0.00 0.00 54.58 53.25 3jxa n ASN 284 Cb 0.51 -3.28 -0.03 0.00 -0.53 0.00 0.00 39.78 36.45 3jxa n ASN 284 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3jxa s PHE 285 N -2.72 3.14 0.23 1.20 5.36 -0.73 -4.64 117.98 119.81 3jxa s PHE 285 Ca 0.09 1.03 0.06 0.00 -0.96 0.00 0.00 56.93 57.16 3jxa s PHE 285 Cb -0.01 -3.74 -0.05 0.00 -0.34 0.00 0.00 43.02 38.88 3jxa s PHE 285 CO 0.83 -2.45 -0.09 -0.65 -1.46 0.00 0.00 175.22 171.41 3jxa s GLN 286 N 0.11 1.38 0.58 10.12 -1.52 -1.26 -1.89 119.66 127.18 3jxa s GLN 286 Ca 0.60 -1.66 0.30 0.00 -1.95 0.00 0.00 55.36 52.66 3jxa s GLN 286 Cb -0.39 -1.01 1.39 0.00 -0.22 0.00 0.00 33.01 32.78 3jxa s GLN 286 CO 0.38 0.08 1.76 1.96 -0.25 0.00 0.00 175.29 179.22 3jxa h GLN 287 N 2.47 0.00 -0.17 2.91 4.20 -1.98 0.70 115.11 123.23 3jxa h GLN 287 Ca -0.39 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.17 3jxa h GLN 287 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3jxa h GLN 287 CO 0.64 0.00 -0.53 0.93 -0.67 0.00 0.00 178.83 179.20 3jxa h GLU 288 N 0.00 0.50 -0.00 1.46 3.07 -2.00 -3.13 114.58 114.48 3jxa h GLU 288 Ca 0.36 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3jxa h GLU 288 Cb 1.79 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.73 3jxa h GLU 288 CO -0.00 0.91 0.00 -0.25 -1.40 0.00 0.00 179.01 178.26 3jxa n ASP 289 N -3.96 0.01 -3.36 1.42 8.00 0.24 -4.81 116.55 114.08 3jxa n ASP 289 Ca -0.03 -1.08 -0.24 0.00 0.71 0.00 0.00 54.79 54.16 3jxa n ASP 289 Cb 0.59 -0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.89 3jxa n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jxa n ALA 290 N -0.96 -2.68 0.00 2.24 0.00 -1.18 -4.93 120.51 112.99 3jxa n ALA 290 Ca 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3jxa n ALA 290 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3jxa n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jxa n GLY 291 N -3.30 -1.02 3.72 0.00 0.00 -0.66 -4.91 105.19 99.02 3jxa n GLY 291 Ca 0.12 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 3jxa n GLY 291 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jxa s SER 292 N -2.68 7.03 -0.03 1.61 0.15 -1.26 -1.00 113.70 117.52 3jxa s SER 292 Ca 0.00 1.23 0.08 0.00 0.70 0.00 0.00 55.95 57.96 3jxa s SER 292 Cb 0.00 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 3jxa s SER 292 CO 0.00 -0.11 -0.25 -0.31 1.20 0.00 0.00 173.24 173.77 3jxa s TYR 293 N 0.71 2.36 0.12 3.44 1.51 0.82 -2.50 117.35 123.80 3jxa s TYR 293 Ca 0.38 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 3jxa s TYR 293 Cb -0.18 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3jxa s TYR 293 CO 0.19 -0.05 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.23 3jxa s GLU 294 N -0.55 1.00 -0.06 -0.62 2.02 -1.06 -1.12 118.70 118.31 3jxa s GLU 294 Ca 0.08 -1.22 0.03 0.00 0.02 0.00 0.00 54.97 53.88 3jxa s GLU 294 Cb -0.11 -0.88 0.00 0.00 0.10 0.00 0.00 34.13 33.25 3jxa s GLU 294 CO -0.00 0.17 -0.16 0.00 0.02 0.00 0.00 175.26 175.28 3jxa s VAL 296 N 0.34 2.83 -0.15 0.00 1.01 0.10 -2.27 120.40 122.25 3jxa s VAL 296 Ca -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 3jxa s VAL 296 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3jxa s VAL 296 CO 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 174.98 3jxa s ALA 297 N 1.20 3.20 0.12 5.51 0.00 -0.86 -0.73 121.76 130.20 3jxa s ALA 297 Ca -0.04 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 3jxa s ALA 297 Cb -0.20 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.32 3jxa s ALA 297 CO -0.02 0.27 0.71 -1.83 0.00 0.00 0.00 175.76 174.89 3jxa s GLU 298 N 0.14 1.19 0.00 0.00 -1.05 -0.91 -1.76 118.70 116.31 3jxa s GLU 298 Ca 0.01 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 3jxa s GLU 298 Cb -0.13 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 3jxa s GLU 298 CO 0.02 -0.53 0.00 0.27 0.95 0.00 0.00 175.26 175.97 3jxa n ASN 299 N -0.35 0.61 -0.08 0.83 0.23 -1.09 -1.16 115.26 114.23 3jxa n ASN 299 Ca -0.13 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.05 3jxa n ASN 299 Cb 0.63 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.82 3jxa n ASN 299 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jxa n SER 300 N 0.00 0.47 -0.11 0.53 3.41 -1.26 -4.15 113.62 112.52 3jxa n SER 300 Ca 0.00 -0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.14 3jxa n SER 300 Cb 0.00 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 3jxa n SER 300 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jxa n ARG 301 N -1.15 0.76 -1.96 4.33 5.12 -1.26 -5.09 116.66 117.41 3jxa n ARG 301 Ca 0.11 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 3jxa n ARG 301 Cb 0.31 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 3jxa n ARG 301 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jxa n GLY 302 N 2.06 -0.62 3.29 -0.13 0.00 -1.26 -4.73 105.19 103.81 3jxa n GLY 302 Ca -0.37 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 3jxa n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxa s LYS 303 N -0.44 1.73 -0.29 1.61 1.02 -1.26 -2.67 119.74 119.44 3jxa s LYS 303 Ca 0.00 -2.00 -0.16 0.00 0.02 0.00 0.00 55.97 53.83 3jxa s LYS 303 Cb 0.00 0.26 0.16 0.00 -0.52 0.00 0.00 37.83 37.73 3jxa s LYS 303 CO 0.00 -0.62 1.02 1.21 -0.92 0.00 0.00 175.35 176.03 3jxa s ASN 304 N -3.37 -0.45 0.05 2.83 2.47 -0.72 -4.72 114.94 111.02 3jxa s ASN 304 Ca 0.40 0.71 0.06 0.00 0.42 0.00 0.00 52.86 54.45 3jxa s ASN 304 Cb 0.03 1.24 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 3jxa s ASN 304 CO 0.26 -0.11 -0.15 0.68 -3.72 0.00 0.00 177.10 174.06 3jxa s VAL 305 N 1.44 3.01 -0.08 -5.21 -7.23 -1.26 -2.02 120.40 109.05 3jxa s VAL 305 Ca -0.08 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 3jxa s VAL 305 Cb -0.04 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3jxa s VAL 305 CO -0.15 0.31 -0.23 0.00 -0.31 0.00 0.00 175.10 174.72 3jxa s ALA 306 N -0.98 2.06 0.19 1.32 0.00 -0.96 -4.93 121.76 118.45 3jxa s ALA 306 Ca 0.16 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.26 3jxa s ALA 306 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3jxa s ALA 306 CO 0.07 0.33 -0.03 -1.59 0.00 0.00 0.00 175.76 174.54 3jxa s LYS 307 N 0.13 2.27 -0.06 0.00 -2.85 -1.26 -1.16 119.74 116.81 3jxa s LYS 307 Ca -0.11 -1.22 -0.29 0.00 -1.00 0.00 0.00 55.97 53.35 3jxa s LYS 307 Cb -0.16 -2.25 0.10 0.00 -2.06 0.00 0.00 37.83 33.46 3jxa s LYS 307 CO 0.06 0.43 0.84 0.20 0.10 0.00 0.00 175.35 176.98 3jxa s GLY 308 N -3.04 -0.44 -0.13 0.59 0.00 -0.27 -4.52 107.32 99.50 3jxa s GLY 308 Ca 0.27 1.41 -0.01 0.00 0.00 0.00 0.00 44.72 46.40 3jxa s GLY 308 CO 0.18 0.74 -0.10 1.20 0.00 0.00 0.00 173.10 175.12 3jxa s GLN 309 N -1.93 3.41 -0.40 2.90 -0.21 0.64 -0.13 119.66 123.95 3jxa s GLN 309 Ca -0.02 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 54.58 3jxa s GLN 309 Cb -0.01 -2.71 0.01 0.00 1.00 0.00 0.00 33.01 31.31 3jxa s GLN 309 CO -0.00 0.27 0.32 -0.51 -2.12 0.00 0.00 175.29 173.24 3jxa s LEU 310 N 0.24 4.94 -0.39 2.90 1.02 -0.17 0.13 118.68 127.35 3jxa s LEU 310 Ca -0.07 -0.75 -0.15 0.00 0.02 0.00 0.00 54.13 53.18 3jxa s LEU 310 Cb -0.15 -2.20 0.01 0.00 0.02 0.00 0.00 46.19 43.87 3jxa s LEU 310 CO 0.04 -0.43 0.34 -0.89 0.02 0.00 0.00 176.35 175.43 3jxa s THR 311 N 1.78 5.20 0.22 5.49 2.01 -0.58 -1.65 115.64 128.11 3jxa s THR 311 Ca 0.07 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 3jxa s THR 311 Cb -0.18 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 3jxa s THR 311 CO 0.11 -0.25 1.44 0.12 -0.69 0.00 0.00 174.62 175.34 3jxa s PHE 312 N 1.87 3.08 0.07 4.92 5.36 -1.26 -1.75 117.98 130.27 3jxa s PHE 312 Ca 0.08 0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 56.93 3jxa s PHE 312 Cb -0.18 -3.80 0.01 0.00 -0.34 0.00 0.00 43.02 38.71 3jxa s PHE 312 CO 0.11 -2.66 0.22 1.52 -1.46 0.00 0.00 175.22 172.95 3jxa s TYR 313 N 0.30 0.06 -0.20 10.12 1.13 -0.92 -4.92 117.35 122.92 3jxa s TYR 313 Ca 0.61 -0.39 -0.16 0.00 -1.41 0.00 0.00 57.07 55.73 3jxa s TYR 313 Cb -0.41 -0.00 0.06 0.00 -1.10 0.00 0.00 41.96 40.50 3jxa s TYR 313 CO 0.39 -0.52 0.51 0.00 -2.51 0.00 0.00 175.55 173.43 3jxa s ALA 314 N -3.34 -1.30 0.77 9.51 0.00 -0.67 -1.00 121.76 125.73 3jxa s ALA 314 Ca 0.01 1.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.46 3jxa s ALA 314 Cb 0.02 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.25 3jxa s ALA 314 CO -0.08 -0.27 1.10 -0.65 0.00 0.00 0.00 175.76 175.86 3jxa s GLN 315 N 0.73 2.24 0.47 0.00 -0.21 -1.26 -1.75 119.66 119.87 3jxa s GLN 315 Ca -0.04 1.22 -0.24 0.00 0.02 0.00 0.00 55.36 56.33 3jxa s GLN 315 Cb -0.05 -1.89 -0.07 0.00 1.00 0.00 0.00 33.01 32.00 3jxa s GLN 315 CO -0.05 -1.66 1.31 -2.14 -2.12 0.00 0.00 175.29 170.62 3jxa s PRO 316 N -4.78 3.60 0.00 2.91 0.02 -1.26 -4.52 135.00 130.97 3jxa s PRO 316 Ca 0.62 2.14 -0.00 0.00 0.02 0.00 0.00 61.00 63.78 3jxa s PRO 316 Cb -0.18 -2.50 -0.00 0.00 0.02 0.00 0.00 34.50 31.84 3jxa s PRO 316 CO 0.54 -0.79 0.00 0.54 -0.33 0.00 0.00 177.00 176.97 3jxa s ASN 317 N -0.91 0.06 0.45 2.53 2.20 -0.74 -4.88 114.94 113.65 3jxa s ASN 317 Ca 0.64 -0.13 -0.24 0.00 -0.94 0.00 0.00 52.86 52.19 3jxa s ASN 317 Cb -0.38 0.04 -0.08 0.00 -2.00 0.00 0.00 41.25 38.84 3jxa s ASN 317 CO 0.46 -0.09 1.24 0.26 -2.94 0.00 0.00 177.10 176.03 3jxa s TRP 318 N -0.42 2.79 0.00 1.54 0.23 -1.26 -2.03 118.94 119.78 3jxa s TRP 318 Ca -0.05 1.47 0.00 0.00 -2.03 0.00 0.00 56.10 55.50 3jxa s TRP 318 Cb -0.03 -3.54 0.00 0.00 0.03 0.00 0.00 33.47 29.93 3jxa s TRP 318 CO -0.00 -1.88 0.00 0.28 0.96 0.00 0.00 176.95 176.31 3jxa n VAL 319 N -0.30 0.00 -3.67 4.03 0.31 0.64 -4.87 118.33 114.47 3jxa n VAL 319 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 3jxa n VAL 319 Cb 0.46 -0.75 -0.13 0.00 -0.91 0.00 0.00 33.84 32.51 3jxa n VAL 319 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3jxa s GLN 320 N -1.87 0.17 0.29 5.55 0.74 -0.90 -4.94 119.66 118.69 3jxa s GLN 320 Ca 0.00 0.73 0.08 0.00 0.05 0.00 0.00 55.36 56.22 3jxa s GLN 320 Cb 0.00 -0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 3jxa s GLN 320 CO 0.00 -0.26 0.19 0.96 -0.55 0.00 0.00 175.29 175.62 3jxa s ILE 321 N 2.24 3.89 0.66 -2.34 -4.36 -1.26 -0.66 121.20 119.37 3jxa s ILE 321 Ca -0.01 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 3jxa s ILE 321 Cb -0.12 -3.21 -0.00 0.00 1.25 0.00 0.00 42.46 40.38 3jxa s ILE 321 CO -0.09 -0.29 1.07 0.27 0.24 0.00 0.00 174.94 176.14 3jxa s ILE 322 N -2.24 3.80 0.15 8.37 -4.36 -1.26 -4.87 121.20 120.79 3jxa s ILE 322 Ca 0.35 0.71 0.05 0.00 -0.26 0.00 0.00 60.65 61.50 3jxa s ILE 322 Cb -0.06 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3jxa s ILE 322 CO 0.24 -0.65 -0.11 0.54 0.24 0.00 0.00 174.94 175.20 3jxa s ASN 323 N -3.26 1.93 0.30 4.36 4.22 -1.26 -4.75 114.94 116.47 3jxa s ASN 323 Ca 0.61 -0.98 -0.30 0.00 -2.14 0.00 0.00 52.86 50.05 3jxa s ASN 323 Cb -0.16 -0.04 -0.11 0.00 1.28 0.00 0.00 41.25 42.23 3jxa s ASN 323 CO 0.47 -0.28 1.57 -1.81 -2.04 0.00 0.00 177.10 175.01 3jxa s ASP 324 N -3.08 6.39 -0.09 3.54 1.11 -1.26 -4.65 116.67 118.63 3jxa s ASP 324 Ca 0.16 2.94 0.02 0.00 0.18 0.00 0.00 52.55 55.85 3jxa s ASP 324 Cb 0.01 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.38 3jxa s ASP 324 CO 0.02 -0.90 -0.14 -0.63 1.18 0.00 0.00 175.17 174.70 3jxa s ILE 325 N -0.09 1.37 -0.31 0.77 1.01 -0.19 -4.97 121.20 118.78 3jxa s ILE 325 Ca 0.62 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3jxa s ILE 325 Cb -0.47 -1.25 0.07 0.00 0.01 0.00 0.00 42.46 40.82 3jxa s ILE 325 CO 0.49 0.41 0.00 -2.28 0.00 0.00 0.00 174.94 173.56 3jxa s HIS 326 N 0.84 3.44 0.02 3.97 2.46 -1.26 -0.27 115.29 124.49 3jxa s HIS 326 Ca -0.10 -2.38 0.04 0.00 0.47 0.00 0.00 55.06 53.08 3jxa s HIS 326 Cb -0.15 -2.41 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 3jxa s HIS 326 CO 0.01 -0.89 -0.12 0.54 -2.47 0.00 0.00 174.74 171.81 3jxa s VAL 327 N 1.10 0.96 0.69 0.89 0.11 0.21 -4.84 120.40 119.52 3jxa s VAL 327 Ca -0.01 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.14 3jxa s VAL 327 Cb -0.20 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3jxa s VAL 327 CO -0.05 0.10 1.21 0.00 -3.33 0.00 0.00 175.10 173.03 3jxa s ALA 328 N -0.59 2.25 0.30 1.54 0.00 -1.26 -0.30 121.76 123.70 3jxa s ALA 328 Ca 0.02 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3jxa s ALA 328 Cb -0.06 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3jxa s ALA 328 CO 0.00 -1.67 1.56 -1.64 0.00 0.00 0.00 175.76 174.02 3jxa s MET 329 N -3.78 4.14 0.00 0.00 1.00 -1.26 -3.05 119.30 116.35 3jxa s MET 329 Ca 0.75 2.54 0.00 0.00 0.00 0.00 0.00 55.69 58.98 3jxa s MET 329 Cb -0.29 -3.03 0.00 0.00 0.00 0.00 0.00 34.83 31.51 3jxa s MET 329 CO 0.42 -0.59 0.00 0.39 0.00 0.00 0.00 175.02 175.24 3jxa n GLU 330 N 1.96 0.00 -1.57 2.03 1.02 -0.18 -4.97 120.64 118.94 3jxa n GLU 330 Ca 0.07 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.91 3jxa n GLU 330 Cb 0.38 -2.46 0.18 0.00 -0.02 0.00 0.00 31.44 29.52 3jxa n GLU 330 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jxa s GLU 331 N -0.02 0.29 0.24 3.49 0.41 -1.17 -4.47 118.70 117.46 3jxa s GLU 331 Ca 0.00 -0.09 0.06 0.00 -0.41 0.00 0.00 54.97 54.53 3jxa s GLU 331 Cb 0.00 -1.77 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 3jxa s GLU 331 CO 0.00 -2.70 0.29 -1.54 -0.49 0.00 0.00 175.26 170.82 3jxa s SER 332 N -4.34 5.98 -0.06 -0.19 1.04 -1.24 -1.28 113.70 113.60 3jxa s SER 332 Ca 0.70 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.07 3jxa s SER 332 Cb -0.09 -1.67 0.02 0.00 0.10 0.00 0.00 66.02 64.39 3jxa s SER 332 CO 0.54 -0.05 -0.04 -0.69 0.98 0.00 0.00 173.24 173.98 3jxa s VAL 333 N -2.04 0.57 -0.04 5.02 1.01 -0.09 -4.97 120.40 119.86 3jxa s VAL 333 Ca 0.33 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3jxa s VAL 333 Cb -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 3jxa s VAL 333 CO 0.27 0.25 -0.16 0.12 0.00 0.00 0.00 175.10 175.59 3jxa s PHE 334 N 1.25 1.60 -0.03 5.22 5.36 -1.26 -0.13 117.98 129.98 3jxa s PHE 334 Ca -0.06 -0.45 0.02 0.00 -0.96 0.00 0.00 56.93 55.49 3jxa s PHE 334 Cb -0.14 -1.08 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 3jxa s PHE 334 CO -0.02 -0.15 -0.08 -1.58 -1.46 0.00 0.00 175.22 171.93 3jxa s TRP 335 N 0.04 0.91 -0.06 10.12 0.51 -0.35 -5.01 118.94 125.10 3jxa s TRP 335 Ca -0.03 -0.24 0.02 0.00 -2.12 0.00 0.00 56.10 53.73 3jxa s TRP 335 Cb -0.11 -0.68 0.01 0.00 -0.81 0.00 0.00 33.47 31.89 3jxa s TRP 335 CO 0.02 -0.12 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.21 3jxa s GLU 336 N 0.35 1.72 0.07 4.98 2.12 -1.26 -0.83 118.70 125.85 3jxa s GLU 336 Ca -0.05 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 54.91 3jxa s GLU 336 Cb -0.10 -1.42 -0.04 0.00 0.26 0.00 0.00 34.13 32.83 3jxa s GLU 336 CO 0.01 0.04 -0.09 0.00 -0.54 0.00 0.00 175.26 174.67 3jxa s LYS 338 N -1.88 0.77 0.06 0.00 1.02 0.17 -4.77 119.74 115.10 3jxa s LYS 338 Ca 0.20 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.07 3jxa s LYS 338 Cb -0.11 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 3jxa s LYS 338 CO 0.11 -0.00 -0.13 0.00 -0.92 0.00 0.00 175.35 174.41 3jxa s ALA 339 N 0.56 1.04 0.55 5.17 0.00 -1.26 -0.26 121.76 127.57 3jxa s ALA 339 Ca -0.08 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3jxa s ALA 339 Cb -0.11 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.96 3jxa s ALA 339 CO 0.00 0.14 0.33 0.54 0.00 0.00 0.00 175.76 176.78 3jxa s ASN 340 N -1.53 4.52 0.00 0.00 2.20 -0.86 -4.67 114.94 114.60 3jxa s ASN 340 Ca -0.02 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.52 3jxa s ASN 340 Cb -0.09 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 3jxa s ASN 340 CO 0.02 -1.12 0.00 0.61 -2.94 0.00 0.00 177.10 173.67 3jxa n GLY 341 N -1.70 3.26 2.86 0.45 0.00 -1.26 -1.79 105.19 107.00 3jxa n GLY 341 Ca -0.06 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 3jxa n GLY 341 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jxa s ARG 342 N -2.15 1.20 0.97 1.61 3.52 -0.72 -3.04 118.95 120.34 3jxa s ARG 342 Ca 0.00 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 3jxa s ARG 342 Cb 0.00 -1.44 0.17 0.00 -1.56 0.00 0.00 34.95 32.12 3jxa s ARG 342 CO 0.00 -0.31 1.08 -2.14 -0.81 0.00 0.00 175.30 173.13 3jxa s PRO 343 N 1.79 0.63 -0.01 5.12 0.02 -1.26 -1.66 135.00 139.63 3jxa s PRO 343 Ca 0.04 0.81 -0.30 0.00 0.02 0.00 0.00 61.00 61.57 3jxa s PRO 343 Cb -0.13 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 3jxa s PRO 343 CO -0.07 -2.67 1.69 0.21 -0.33 0.00 0.00 177.00 175.83 3jxa s LYS 344 N -4.83 4.18 0.47 5.54 2.20 -1.17 -4.88 119.74 121.25 3jxa s LYS 344 Ca 0.65 2.28 -0.24 0.00 -0.36 0.00 0.00 55.97 58.31 3jxa s LYS 344 Cb -0.20 -3.90 -0.08 0.00 -1.51 0.00 0.00 37.83 32.14 3jxa s LYS 344 CO 0.59 -0.83 1.30 -2.30 -0.36 0.00 0.00 175.35 173.75 3jxa n PRO 345 N 6.75 1.84 -3.96 4.03 -0.02 -1.26 -4.95 135.00 137.44 3jxa n PRO 345 Ca 0.17 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 3jxa n PRO 345 Cb 0.42 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3jxa n PRO 345 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3jxa s THR 346 N -1.25 4.12 0.10 3.45 -4.23 -0.30 -4.85 115.64 112.69 3jxa s THR 346 Ca 0.65 -1.35 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 3jxa s THR 346 Cb -0.47 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3jxa s THR 346 CO 0.55 -0.27 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.80 3jxa s TYR 347 N -2.19 2.07 0.18 3.99 1.51 -1.26 -1.18 117.35 120.47 3jxa s TYR 347 Ca 0.37 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3jxa s TYR 347 Cb -0.07 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3jxa s TYR 347 CO 0.26 0.25 0.12 -0.98 -1.11 0.00 0.00 175.55 174.09 3jxa s ARG 348 N -1.85 1.12 0.14 -0.62 1.70 0.24 -4.81 118.95 114.86 3jxa s ARG 348 Ca 0.10 -1.54 0.06 0.00 -0.47 0.00 0.00 55.73 53.89 3jxa s ARG 348 Cb -0.10 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3jxa s ARG 348 CO 0.05 -0.36 -0.14 -1.58 -1.08 0.00 0.00 175.30 172.19 3jxa s TRP 349 N -4.11 1.46 0.05 5.89 0.52 -1.26 -0.24 118.94 121.25 3jxa s TRP 349 Ca 0.33 -0.58 0.04 0.00 0.02 0.00 0.00 56.10 55.91 3jxa s TRP 349 Cb 0.07 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 3jxa s TRP 349 CO 0.08 0.18 -0.12 -0.51 0.02 0.00 0.00 176.95 176.60 3jxa s LEU 350 N -2.67 2.24 -0.16 2.99 1.43 -0.36 -1.54 118.68 120.60 3jxa s LEU 350 Ca 0.12 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3jxa s LEU 350 Cb -0.03 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.78 3jxa s LEU 350 CO 0.03 -0.08 -0.09 -0.75 0.23 0.00 0.00 176.35 175.69 3jxa s LYS 351 N -1.49 1.83 -1.41 1.70 2.20 0.09 -1.49 119.74 121.17 3jxa s LYS 351 Ca -0.03 -0.54 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 3jxa s LYS 351 Cb -0.09 -2.03 0.06 0.00 -1.51 0.00 0.00 37.83 34.26 3jxa s LYS 351 CO 0.01 -0.34 0.62 0.09 -0.36 0.00 0.00 175.35 175.38 3jxa n ASN 352 N 4.82 -4.52 0.00 1.43 3.02 0.39 -1.70 115.26 118.70 3jxa n ASN 352 Ca -0.14 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 3jxa n ASN 352 Cb 0.49 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 3jxa n ASN 352 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jxa n GLY 353 N -1.37 2.23 3.85 7.41 0.00 -1.23 -4.62 105.19 111.45 3jxa n GLY 353 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3jxa n GLY 353 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jxa s ASP 354 N -2.07 6.52 -0.06 1.61 1.01 -0.69 -5.00 116.67 118.00 3jxa s ASP 354 Ca 0.00 0.62 -0.37 0.00 0.71 0.00 0.00 52.55 53.50 3jxa s ASP 354 Cb 0.00 -2.14 -0.15 0.00 1.01 0.00 0.00 42.92 41.64 3jxa s ASP 354 CO 0.00 0.34 1.57 -2.65 0.21 0.00 0.00 175.17 174.65 3jxa n PRO 355 N 2.15 1.36 -3.79 8.23 -0.02 -1.26 -0.73 135.00 140.93 3jxa n PRO 355 Ca -0.17 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 3jxa n PRO 355 Cb 0.54 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 3jxa n PRO 355 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3jxa s LEU 356 N 2.03 3.46 0.28 2.45 2.96 -0.59 -4.81 118.68 124.47 3jxa s LEU 356 Ca 0.90 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.45 3jxa s LEU 356 Cb -0.94 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.83 3jxa s LEU 356 CO 0.53 -0.09 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.59 3jxa s LEU 357 N 1.54 2.60 0.24 -0.68 1.43 -1.26 -4.47 118.68 118.07 3jxa s LEU 357 Ca 0.05 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 51.74 3jxa s LEU 357 Cb -0.16 -0.88 -0.15 0.00 0.03 0.00 0.00 46.19 45.03 3jxa s LEU 357 CO 0.01 -0.16 0.97 0.41 0.23 0.00 0.00 176.35 177.81 3jxa n THR 358 N -0.62 1.70 -1.93 5.49 -1.04 -1.26 -4.81 114.28 111.81 3jxa n THR 358 Ca -0.06 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 3jxa n THR 358 Cb 0.62 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3jxa n THR 358 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3jxa n ARG 359 N 1.03 0.00 -1.79 -2.82 0.00 0.21 -4.97 116.66 108.32 3jxa n ARG 359 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.55 3jxa n ARG 359 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.72 3jxa n ARG 359 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3jxa s ASP 360 N 2.00 6.52 0.00 2.89 2.15 -1.26 -2.34 116.67 126.63 3jxa s ASP 360 Ca 0.00 2.55 0.00 0.00 0.43 0.00 0.00 52.55 55.53 3jxa s ASP 360 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3jxa s ASP 360 CO 0.00 -1.00 0.00 0.54 -0.17 0.00 0.00 175.17 174.54 3jxa n ARG 361 N 7.00 0.00 -3.71 4.34 1.74 -1.26 -4.95 116.66 119.81 3jxa n ARG 361 Ca 0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 3jxa n ARG 361 Cb 0.41 -0.65 -0.12 0.00 -1.02 0.00 0.00 32.46 31.08 3jxa n ARG 361 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jxa s ILE 362 N -0.31 4.37 -0.33 0.55 1.01 -0.99 -1.91 121.20 123.60 3jxa s ILE 362 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3jxa s ILE 362 Cb 0.00 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.34 3jxa s ILE 362 CO 0.00 0.18 0.10 -1.58 0.00 0.00 0.00 174.94 173.63 3jxa s GLN 363 N 1.59 2.76 -0.38 2.79 0.74 -0.28 -0.62 119.66 126.27 3jxa s GLN 363 Ca 0.05 -1.08 -0.12 0.00 0.05 0.00 0.00 55.36 54.25 3jxa s GLN 363 Cb -0.16 -3.43 0.02 0.00 1.10 0.00 0.00 33.01 30.53 3jxa s GLN 363 CO 0.05 -0.60 0.24 0.42 -0.55 0.00 0.00 175.29 174.84 3jxa s ILE 364 N 1.43 4.89 -0.33 -2.34 -1.09 -1.26 -1.69 121.20 120.81 3jxa s ILE 364 Ca -0.00 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 3jxa s ILE 364 Cb -0.19 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.12 3jxa s ILE 364 CO 0.03 -0.20 0.10 -0.70 -1.23 0.00 0.00 174.94 172.94 3jxa s GLU 365 N 1.62 0.93 7.89 2.79 2.12 -0.88 -4.57 118.70 128.60 3jxa s GLU 365 Ca 0.04 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 54.03 3jxa s GLU 365 Cb -0.19 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 31.93 3jxa s GLU 365 CO 0.08 -1.00 0.00 1.04 -0.54 0.00 0.00 175.26 174.84 3jxa n GLN 366 N 4.58 0.00 -0.23 4.30 6.02 -1.26 -2.36 117.38 128.43 3jxa n GLN 366 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3jxa n GLN 366 Cb 0.41 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.78 3jxa n GLN 366 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jxa n GLY 367 N 0.00 1.74 3.15 1.08 0.00 -1.26 -4.68 105.19 105.21 3jxa n GLY 367 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 3jxa n GLY 367 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jxa s THR 368 N -1.49 1.09 -0.06 2.61 -4.23 -1.00 -1.80 115.64 110.77 3jxa s THR 368 Ca 0.14 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 3jxa s THR 368 Cb 0.11 -1.01 0.03 0.00 1.34 0.00 0.00 72.50 72.97 3jxa s THR 368 CO 0.05 -0.04 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.86 3jxa s LEU 369 N -1.25 0.71 -0.13 4.79 0.20 -0.01 -2.08 118.68 120.91 3jxa s LEU 369 Ca 0.01 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.77 3jxa s LEU 369 Cb -0.08 -0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 3jxa s LEU 369 CO 0.01 -0.17 -0.18 0.21 -0.29 0.00 0.00 176.35 175.93 3jxa s ASN 370 N 1.76 2.78 -0.25 3.68 2.47 -0.68 -1.22 114.94 123.47 3jxa s ASN 370 Ca 0.02 -0.52 -0.07 0.00 0.42 0.00 0.00 52.86 52.70 3jxa s ASN 370 Cb -0.13 -1.26 -0.03 0.00 -1.45 0.00 0.00 41.25 38.39 3jxa s ASN 370 CO -0.04 0.03 0.07 -0.63 -3.72 0.00 0.00 177.10 172.81 3jxa s ILE 371 N 1.02 4.28 -0.06 -5.21 1.01 0.81 -1.13 121.20 121.94 3jxa s ILE 371 Ca -0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 3jxa s ILE 371 Cb -0.15 -3.02 -0.22 0.00 0.01 0.00 0.00 42.46 39.08 3jxa s ILE 371 CO -0.04 0.32 1.09 0.71 0.00 0.00 0.00 174.94 177.02 3jxa h THR 372 N 5.57 1.53 -2.93 2.92 1.35 -1.67 -0.20 112.91 119.47 3jxa h THR 372 Ca -0.38 -1.64 -0.60 0.00 -0.55 0.00 0.00 66.41 63.24 3jxa h THR 372 Cb 1.17 2.61 -0.40 0.00 -1.73 0.00 0.00 68.15 69.81 3jxa h THR 372 CO 0.58 0.43 -0.77 -0.63 -0.25 0.00 0.00 175.52 174.89 3jxa s ILE 373 N -3.47 1.00 0.32 6.82 1.01 -1.26 -3.73 121.20 121.89 3jxa s ILE 373 Ca -0.17 -2.10 -0.29 0.00 0.00 0.00 0.00 60.65 58.10 3jxa s ILE 373 Cb 0.00 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 3jxa s ILE 373 CO 0.70 -0.87 1.36 0.54 0.00 0.00 0.00 174.94 176.67 3jxa s VAL 374 N 0.80 2.60 0.32 2.92 0.11 -0.41 -4.78 120.40 121.97 3jxa s VAL 374 Ca 0.16 0.58 0.03 0.00 -2.93 0.00 0.00 61.98 59.82 3jxa s VAL 374 Cb -0.23 -3.37 -0.05 0.00 -1.53 0.00 0.00 36.38 31.21 3jxa s VAL 374 CO -0.05 0.13 0.10 0.54 -3.33 0.00 0.00 175.10 172.49 3jxa s ASN 375 N -0.26 1.99 0.29 3.54 2.20 -1.26 -1.01 114.94 120.42 3jxa s ASN 375 Ca 0.52 -1.48 0.03 0.00 -0.94 0.00 0.00 52.86 50.98 3jxa s ASN 375 Cb -0.41 0.21 0.67 0.00 -2.00 0.00 0.00 41.25 39.72 3jxa s ASN 375 CO 0.53 -0.77 1.75 -0.07 -2.94 0.00 0.00 177.10 175.60 3jxa h LEU 376 N 2.13 0.57 -1.95 3.54 3.38 -1.96 0.84 115.31 121.86 3jxa h LEU 376 Ca -0.37 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3jxa h LEU 376 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3jxa h LEU 376 CO 0.61 0.17 0.00 0.77 0.09 0.00 0.00 178.44 180.08 3jxa h SER 377 N 0.61 0.00 1.49 -0.43 4.64 -2.01 -1.52 113.55 116.32 3jxa h SER 377 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3jxa h SER 377 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3jxa h SER 377 CO -0.42 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 175.98 3jxa h ASP 378 N 0.00 0.00 -3.55 4.97 3.32 -1.23 -3.45 116.42 116.47 3jxa h ASP 378 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3jxa h ASP 378 Cb 0.12 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.76 3jxa h ASP 378 CO 0.00 0.00 0.84 0.00 -1.72 0.00 0.00 179.24 178.36 3jxa s ALA 379 N -3.15 3.68 0.00 3.45 0.00 -0.57 -4.87 121.76 120.30 3jxa s ALA 379 Ca 0.09 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3jxa s ALA 379 Cb 0.11 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3jxa s ALA 379 CO 0.59 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3jxa n GLY 380 N 1.55 -2.02 3.76 0.00 0.00 -0.93 -5.01 105.19 102.56 3jxa n GLY 380 Ca 0.05 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3jxa n GLY 380 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jxa s MET 381 N -1.79 4.04 0.17 1.61 -1.94 -1.25 -1.49 119.30 118.64 3jxa s MET 381 Ca 0.00 -0.15 0.11 0.00 -1.71 0.00 0.00 55.69 53.94 3jxa s MET 381 Cb 0.00 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 3jxa s MET 381 CO 0.00 0.40 -0.24 0.71 -0.01 0.00 0.00 175.02 175.88 3jxa s TYR 382 N 0.05 2.21 -0.04 -0.03 1.51 -0.30 -0.46 117.35 120.29 3jxa s TYR 382 Ca 0.11 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3jxa s TYR 382 Cb -0.12 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3jxa s TYR 382 CO 0.00 0.42 0.10 -0.65 -1.11 0.00 0.00 175.55 174.31 3jxa s GLN 383 N -2.46 0.08 -0.08 -0.62 -0.21 -0.56 -2.06 119.66 113.75 3jxa s GLN 383 Ca 0.17 0.23 -0.10 0.00 0.02 0.00 0.00 55.36 55.69 3jxa s GLN 383 Cb -0.08 -0.08 -0.05 0.00 1.00 0.00 0.00 33.01 33.80 3jxa s GLN 383 CO 0.08 -0.10 0.24 0.00 -2.12 0.00 0.00 175.29 173.39 3jxa s VAL 385 N -1.01 1.52 -0.09 0.00 1.01 0.67 -1.96 120.40 120.54 3jxa s VAL 385 Ca 0.18 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3jxa s VAL 385 Cb -0.14 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3jxa s VAL 385 CO 0.07 0.44 -0.23 0.00 0.00 0.00 0.00 175.10 175.38 3jxa s ALA 386 N 0.82 2.21 0.05 5.51 0.00 -0.79 -0.59 121.76 128.96 3jxa s ALA 386 Ca -0.10 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 3jxa s ALA 386 Cb -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3jxa s ALA 386 CO 0.01 0.32 0.20 -1.83 0.00 0.00 0.00 175.76 174.46 3jxa s GLU 387 N 0.22 0.71 0.08 0.00 -1.05 -0.33 -1.43 118.70 116.91 3jxa s GLU 387 Ca -0.15 -0.66 -0.01 0.00 -0.15 0.00 0.00 54.97 53.99 3jxa s GLU 387 Cb -0.17 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.82 3jxa s GLU 387 CO 0.08 -0.21 0.13 0.27 0.95 0.00 0.00 175.26 176.48 3jxa n ASN 388 N 0.60 -0.37 -0.35 0.83 0.23 -0.80 -1.15 115.26 114.24 3jxa n ASN 388 Ca -0.18 -1.40 0.24 0.00 -0.53 0.00 0.00 54.58 52.71 3jxa n ASN 388 Cb 0.59 0.66 0.49 0.00 -2.08 0.00 0.00 39.78 39.45 3jxa n ASN 388 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3jxa h LYS 389 N 0.00 0.36 -0.55 -3.83 1.57 -1.93 -2.70 116.57 109.48 3jxa h LYS 389 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3jxa h LYS 389 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3jxa h LYS 389 CO 0.09 0.24 0.00 0.72 -0.57 0.00 0.00 179.45 179.92 3jxa n HIS 390 N -4.82 0.96 0.00 -1.35 8.25 -1.26 -5.04 115.22 111.96 3jxa n HIS 390 Ca 0.29 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3jxa n HIS 390 Cb 0.96 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.97 3jxa n HIS 390 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jxa n GLY 391 N 0.96 0.58 3.02 -1.41 0.00 -1.02 -4.72 105.19 102.60 3jxa n GLY 391 Ca 0.21 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3jxa n GLY 391 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxa s VAL 392 N -2.00 -0.03 0.05 1.61 1.01 -1.26 -1.91 120.40 117.87 3jxa s VAL 392 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3jxa s VAL 392 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3jxa s VAL 392 CO 0.00 0.04 -0.16 0.27 0.00 0.00 0.00 175.10 175.25 3jxa s ILE 393 N 0.82 1.28 0.19 2.22 -4.36 -0.51 -4.82 121.20 116.01 3jxa s ILE 393 Ca -0.06 -1.10 0.09 0.00 -0.26 0.00 0.00 60.65 59.32 3jxa s ILE 393 Cb -0.07 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 3jxa s ILE 393 CO -0.05 0.03 -0.12 -0.36 0.24 0.00 0.00 174.94 174.68 3jxa s PHE 394 N -0.89 2.57 -0.01 1.37 0.08 -1.26 -1.88 117.98 117.96 3jxa s PHE 394 Ca 0.03 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 3jxa s PHE 394 Cb -0.08 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3jxa s PHE 394 CO 0.02 0.52 0.07 -1.54 -0.10 0.00 0.00 175.22 174.19 3jxa s SER 395 N -2.85 0.02 0.16 1.36 1.04 -0.83 -5.00 113.70 107.61 3jxa s SER 395 Ca 0.25 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.68 3jxa s SER 395 Cb -0.08 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3jxa s SER 395 CO 0.14 -0.18 -0.18 -0.44 0.98 0.00 0.00 173.24 173.56 3jxa s SER 396 N -0.69 2.61 -0.16 7.02 0.01 -1.26 -2.55 113.70 118.68 3jxa s SER 396 Ca -0.08 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.02 3jxa s SER 396 Cb -0.05 -0.15 0.10 0.00 0.21 0.00 0.00 66.02 66.14 3jxa s SER 396 CO 0.00 -0.06 0.88 0.00 0.41 0.00 0.00 173.24 174.48 3jxa s ALA 397 N -2.14 -1.88 -0.15 1.44 0.00 -0.87 -4.67 121.76 113.49 3jxa s ALA 397 Ca 0.16 1.61 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 3jxa s ALA 397 Cb -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3jxa s ALA 397 CO 0.06 -0.32 0.11 -2.00 0.00 0.00 0.00 175.76 173.62 3jxa s GLU 398 N -0.73 3.72 -0.24 0.00 2.12 -1.26 -1.15 118.70 121.16 3jxa s GLU 398 Ca -0.03 -0.21 -0.10 0.00 0.36 0.00 0.00 54.97 54.99 3jxa s GLU 398 Cb -0.02 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 3jxa s GLU 398 CO 0.02 0.55 0.13 -1.17 -0.54 0.00 0.00 175.26 174.26 3jxa s LEU 399 N -0.37 3.91 0.04 2.70 0.20 -0.56 -1.03 118.68 123.57 3jxa s LEU 399 Ca 0.11 0.02 0.06 0.00 0.69 0.00 0.00 54.13 55.00 3jxa s LEU 399 Cb -0.12 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 3jxa s LEU 399 CO 0.01 0.04 -0.17 -0.94 -0.29 0.00 0.00 176.35 175.00 3jxa s SER 400 N 1.23 2.06 -0.20 3.68 1.04 0.63 -2.18 113.70 119.96 3jxa s SER 400 Ca 0.06 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 3jxa s SER 400 Cb -0.14 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3jxa s SER 400 CO 0.05 0.10 -0.01 -0.69 0.98 0.00 0.00 173.24 173.68 3jxa s VAL 401 N -0.79 3.90 -0.20 5.02 1.01 -1.26 -0.62 120.40 127.46 3jxa s VAL 401 Ca 0.05 -0.33 -0.33 0.00 0.00 0.00 0.00 61.98 61.37 3jxa s VAL 401 Cb -0.08 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3jxa s VAL 401 CO 0.01 0.43 2.07 -0.38 0.00 0.00 0.00 175.10 177.23 3jxa n ILE 402 N 4.24 0.40 -0.72 2.22 5.41 0.59 -4.89 119.36 126.62 3jxa n ILE 402 Ca -0.17 -0.25 -0.33 0.00 1.00 0.00 0.00 62.75 63.00 3jxa n ILE 402 Cb 0.52 -1.98 0.15 0.00 -0.71 0.00 0.00 39.64 37.61 3jxa n ILE 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3jxa n ALA 403 N 8.96 -4.37 1.03 -1.39 0.00 -1.26 -4.40 120.51 119.08 3jxa n ALA 403 Ca 0.30 -1.32 0.08 0.00 0.00 0.00 0.00 53.44 52.51 3jxa n ALA 403 Cb 0.31 -1.35 0.49 0.00 0.00 0.00 0.00 19.45 18.90 3jxa n ALA 403 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89