#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx8 h LYS 24 N 0.00 0.34 -5.39 -1.24 3.64 -1.95 -3.46 116.57 108.51 3jx8 h LYS 24 Ca 0.00 -0.58 -0.60 0.00 -1.27 0.00 0.00 60.65 58.20 3jx8 h LYS 24 Cb 0.00 0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 3jx8 h LYS 24 CO 0.00 1.28 -0.29 0.50 -2.27 0.00 0.00 179.45 178.67 3jx8 s ARG 25 N -2.49 4.19 -0.16 1.90 3.52 -1.26 0.19 118.95 124.83 3jx8 s ARG 25 Ca -0.15 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3jx8 s ARG 25 Cb 0.03 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3jx8 s ARG 25 CO 0.84 0.07 -0.13 0.42 -0.81 0.00 0.00 175.30 175.69 3jx8 s ILE 26 N 1.00 1.56 0.08 4.11 -1.09 -0.28 -4.96 121.20 121.62 3jx8 s ILE 26 Ca 0.16 -0.71 -0.20 0.00 -2.23 0.00 0.00 60.65 57.68 3jx8 s ILE 26 Cb -0.14 -1.51 -0.07 0.00 -1.58 0.00 0.00 42.46 39.16 3jx8 s ILE 26 CO 0.06 0.38 0.59 -1.81 -1.23 0.00 0.00 174.94 172.93 3jx8 s ASP 27 N 1.48 7.09 0.31 3.58 1.01 -1.26 -1.07 116.67 127.80 3jx8 s ASP 27 Ca 0.03 1.29 -0.29 0.00 0.71 0.00 0.00 52.55 54.29 3jx8 s ASP 27 Cb -0.14 -2.37 -0.12 0.00 1.01 0.00 0.00 42.92 41.30 3jx8 s ASP 27 CO -0.10 0.26 1.41 0.61 0.21 0.00 0.00 175.17 177.56 3jx8 n GLY 28 N 1.67 0.86 0.06 0.21 0.00 0.52 -4.90 105.19 103.61 3jx8 n GLY 28 Ca -0.10 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.45 3jx8 n GLY 28 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jx8 n ASN 29 N 1.40 0.19 0.00 1.61 6.94 -1.26 -4.78 115.26 119.36 3jx8 n ASN 29 Ca 0.07 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 3jx8 n ASN 29 Cb 0.35 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 3jx8 n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jx8 n GLY 30 N 0.96 0.65 3.07 4.83 0.00 -1.26 -4.99 105.19 108.44 3jx8 n GLY 30 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3jx8 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx8 s ASN 31 N -2.26 5.02 0.23 1.61 0.01 -1.26 -5.04 114.94 113.25 3jx8 s ASN 31 Ca 0.00 -2.63 -0.30 0.00 -0.71 0.00 0.00 52.86 49.22 3jx8 s ASN 31 Cb 0.00 -1.79 -0.09 0.00 0.41 0.00 0.00 41.25 39.79 3jx8 s ASN 31 CO 0.00 -0.38 1.14 -2.16 -1.51 0.00 0.00 177.10 174.18 3jx8 s PRO 32 N 0.26 4.57 -0.01 -0.60 0.04 -1.26 -0.73 135.00 137.26 3jx8 s PRO 32 Ca 0.14 1.82 0.05 0.00 0.04 0.00 0.00 61.00 63.05 3jx8 s PRO 32 Cb -0.22 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 3jx8 s PRO 32 CO -0.03 0.07 -0.16 -2.00 0.04 0.00 0.00 177.00 174.92 3jx8 s GLU 33 N -0.82 1.31 -0.16 4.56 2.12 -0.35 -4.84 118.70 120.52 3jx8 s GLU 33 Ca 0.48 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 55.19 3jx8 s GLU 33 Cb -0.32 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 3jx8 s GLU 33 CO 0.39 0.35 -0.04 0.99 -0.54 0.00 0.00 175.26 176.40 3jx8 s THR 34 N -0.39 3.81 -0.09 -1.70 2.01 -1.26 -1.74 115.64 116.28 3jx8 s THR 34 Ca 0.06 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.71 3jx8 s THR 34 Cb -0.06 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.78 3jx8 s THR 34 CO -0.01 0.48 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.12 3jx8 s ARG 35 N 0.51 2.16 -0.19 4.92 0.52 0.29 -4.98 118.95 122.17 3jx8 s ARG 35 Ca -0.03 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 3jx8 s ARG 35 Cb -0.14 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 3jx8 s ARG 35 CO 0.03 0.03 0.64 -1.21 0.02 0.00 0.00 175.30 174.81 3jx8 s GLU 36 N 0.71 4.23 -0.15 3.54 2.02 -1.26 -0.95 118.70 126.84 3jx8 s GLU 36 Ca -0.13 0.65 -0.04 0.00 0.02 0.00 0.00 54.97 55.47 3jx8 s GLU 36 Cb -0.16 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 3jx8 s GLU 36 CO 0.03 -0.22 -0.03 0.42 0.02 0.00 0.00 175.26 175.48 3jx8 s ILE 37 N 1.83 3.94 -0.04 -1.63 1.01 -0.00 -4.99 121.20 121.31 3jx8 s ILE 37 Ca 0.30 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3jx8 s ILE 37 Cb -0.16 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3jx8 s ILE 37 CO 0.11 0.50 1.29 -0.75 0.00 0.00 0.00 174.94 176.08 3jx8 s LYS 38 N 0.32 4.31 0.03 2.79 2.47 -1.26 -3.96 119.74 124.44 3jx8 s LYS 38 Ca -0.03 1.79 0.01 0.00 -1.56 0.00 0.00 55.97 56.17 3jx8 s LYS 38 Cb -0.14 -3.59 -0.02 0.00 -1.46 0.00 0.00 37.83 32.62 3jx8 s LYS 38 CO 0.03 -0.52 -0.05 0.96 0.16 0.00 0.00 175.35 175.93 3jx8 s ILE 39 N 2.41 0.25 0.74 5.43 -4.36 -1.26 -4.86 121.20 119.55 3jx8 s ILE 39 Ca 0.59 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.95 3jx8 s ILE 39 Cb -0.27 -0.44 0.14 0.00 1.25 0.00 0.00 42.46 43.14 3jx8 s ILE 39 CO 0.23 -0.49 1.02 -0.94 0.24 0.00 0.00 174.94 175.00 3jx8 s SER 40 N -1.58 4.25 0.66 4.36 1.04 -1.26 -4.78 113.70 116.38 3jx8 s SER 40 Ca -0.13 -0.37 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 3jx8 s SER 40 Cb -0.09 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3jx8 s SER 40 CO -0.01 -1.94 1.21 -0.62 0.98 0.00 0.00 173.24 172.86 3jx8 s ASP 41 N -4.76 4.71 0.03 7.02 2.15 -1.26 -4.93 116.67 119.63 3jx8 s ASP 41 Ca 0.67 2.37 -0.03 0.00 0.43 0.00 0.00 52.55 55.99 3jx8 s ASP 41 Cb -0.05 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3jx8 s ASP 41 CO 0.45 -1.91 0.03 -0.72 -0.17 0.00 0.00 175.17 172.85 3jx8 s TYR 42 N -1.80 0.25 -0.02 -5.34 -0.85 -1.26 -4.56 117.35 103.78 3jx8 s TYR 42 Ca 0.76 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.76 3jx8 s TYR 42 Cb -0.30 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 41.86 3jx8 s TYR 42 CO 0.39 -0.29 0.80 -0.40 -1.52 0.00 0.00 175.55 174.54 3jx8 n ASP 43 N 1.10 1.62 -3.86 -0.18 5.68 -0.38 -4.34 116.55 116.18 3jx8 n ASP 43 Ca -0.21 -1.60 -0.11 0.00 -0.50 0.00 0.00 54.79 52.37 3jx8 n ASP 43 Cb 0.57 -0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 3jx8 n ASP 43 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3jx8 s GLU 44 N -0.61 0.49 -0.07 0.11 2.12 -1.16 -0.87 118.70 118.71 3jx8 s GLU 44 Ca 0.00 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.99 3jx8 s GLU 44 Cb 0.00 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.61 3jx8 s GLU 44 CO 0.00 -0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 174.88 3jx8 s ILE 45 N -1.34 1.35 -0.32 -3.70 1.01 -0.54 -0.82 121.20 116.82 3jx8 s ILE 45 Ca -0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 3jx8 s ILE 45 Cb -0.07 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.23 3jx8 s ILE 45 CO 0.02 0.40 0.06 -0.89 0.00 0.00 0.00 174.94 174.53 3jx8 s THR 46 N 0.59 3.46 -0.19 2.92 2.01 0.67 -0.52 115.64 124.58 3jx8 s THR 46 Ca -0.16 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.62 3jx8 s THR 46 Cb -0.16 -2.97 0.04 0.00 0.01 0.00 0.00 72.50 69.42 3jx8 s THR 46 CO 0.05 -0.15 -0.12 0.12 -0.69 0.00 0.00 174.62 173.83 3jx8 s PHE 47 N 1.34 2.42 -0.13 4.92 5.36 0.06 -1.13 117.98 130.82 3jx8 s PHE 47 Ca -0.03 -1.53 0.01 0.00 -0.96 0.00 0.00 56.93 54.42 3jx8 s PHE 47 Cb -0.20 -1.67 -0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3jx8 s PHE 47 CO 0.01 -0.74 -0.17 0.08 -1.46 0.00 0.00 175.22 172.95 3jx8 s VAL 48 N 1.40 2.61 -4.77 3.12 1.01 0.37 -1.21 120.40 122.92 3jx8 s VAL 48 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3jx8 s VAL 48 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3jx8 s VAL 48 CO -0.09 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3jx8 n GLY 49 N 3.79 0.97 0.98 4.51 0.00 -0.50 -4.28 105.19 110.66 3jx8 n GLY 49 Ca -0.19 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 43.99 3jx8 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 50 N 2.86 3.30 -4.74 1.61 3.41 -1.26 -1.94 113.62 116.86 3jx8 n SER 50 Ca 0.00 -1.94 -0.31 0.00 -0.26 0.00 0.00 58.87 56.36 3jx8 n SER 50 Cb 0.00 -0.29 0.11 0.00 -0.26 0.00 0.00 64.21 63.77 3jx8 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx8 s ALA 51 N -1.13 2.02 -0.32 7.33 0.00 -1.26 -4.28 121.76 124.12 3jx8 s ALA 51 Ca 0.34 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 3jx8 s ALA 51 Cb 0.19 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 3jx8 s ALA 51 CO 0.25 -2.07 0.70 -0.51 0.00 0.00 0.00 175.76 174.14 3jx8 s ASP 52 N -3.13 6.55 -0.23 0.00 1.01 -0.59 -1.15 116.67 119.13 3jx8 s ASP 52 Ca 0.63 0.47 -0.03 0.00 0.71 0.00 0.00 52.55 54.33 3jx8 s ASP 52 Cb -0.19 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3jx8 s ASP 52 CO 0.56 -0.56 -0.05 0.12 0.21 0.00 0.00 175.17 175.45 3jx8 s PHE 53 N 2.79 2.99 -0.22 4.23 2.19 0.76 -0.77 117.98 129.95 3jx8 s PHE 53 Ca 0.28 -1.16 -0.07 0.00 0.33 0.00 0.00 56.93 56.32 3jx8 s PHE 53 Cb -0.14 -2.09 -0.03 0.00 -1.31 0.00 0.00 43.02 39.44 3jx8 s PHE 53 CO 0.13 -0.62 0.06 -1.21 1.83 0.00 0.00 175.22 175.41 3jx8 s GLU 54 N 1.43 3.76 0.05 10.12 2.02 -0.02 -0.85 118.70 135.21 3jx8 s GLU 54 Ca 0.04 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.66 3jx8 s GLU 54 Cb -0.15 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3jx8 s GLU 54 CO -0.04 0.01 -0.18 -0.47 0.02 0.00 0.00 175.26 174.60 3jx8 s TYR 55 N 1.07 1.60 0.01 1.61 5.04 -0.42 -1.21 117.35 125.05 3jx8 s TYR 55 Ca 0.04 -0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 54.25 3jx8 s TYR 55 Cb -0.14 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 3jx8 s TYR 55 CO 0.03 0.09 0.06 -1.21 -1.34 0.00 0.00 175.55 173.18 3jx8 s GLU 56 N -1.27 0.39 0.33 4.97 0.41 -1.06 -4.18 118.70 118.29 3jx8 s GLU 56 Ca 0.05 -0.46 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 3jx8 s GLU 56 Cb -0.09 0.15 -0.09 0.00 -1.78 0.00 0.00 34.13 32.32 3jx8 s GLU 56 CO 0.02 -0.08 1.01 -0.65 -0.49 0.00 0.00 175.26 175.07 3jx8 s GLN 57 N -1.34 4.49 -0.05 1.61 -0.21 -1.26 -2.90 119.66 119.99 3jx8 s GLN 57 Ca -0.14 1.50 -0.28 0.00 0.02 0.00 0.00 55.36 56.45 3jx8 s GLN 57 Cb -0.08 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.14 3jx8 s GLN 57 CO 0.00 0.16 0.62 0.45 -2.12 0.00 0.00 175.29 174.40 3jx8 s SER 58 N -1.41 -0.59 0.00 5.90 0.15 0.04 -4.91 113.70 112.88 3jx8 s SER 58 Ca 0.50 0.64 0.28 0.00 0.70 0.00 0.00 55.95 58.07 3jx8 s SER 58 Cb -0.23 0.53 1.04 0.00 -1.71 0.00 0.00 66.02 65.65 3jx8 s SER 58 CO 0.29 -0.57 1.75 0.47 1.20 0.00 0.00 173.24 176.38 3jx8 n ASP 59 N 1.03 0.65 -4.31 5.45 8.00 -1.26 -3.56 116.55 122.54 3jx8 n ASP 59 Ca -0.19 -0.64 -0.29 0.00 0.71 0.00 0.00 54.79 54.38 3jx8 n ASP 59 Cb 0.57 -0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.89 3jx8 n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3jx8 s LYS 60 N -2.52 -0.68 0.55 -1.24 1.02 -1.26 -4.97 119.74 110.65 3jx8 s LYS 60 Ca 0.26 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 3jx8 s LYS 60 Cb 0.20 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 3jx8 s LYS 60 CO 0.50 -3.45 1.37 0.00 -0.92 0.00 0.00 175.35 172.85 3jx8 s ALA 61 N -2.80 2.79 0.47 5.17 0.00 -1.26 -4.80 121.76 121.34 3jx8 s ALA 61 Ca 0.68 1.35 -0.24 0.00 0.00 0.00 0.00 51.96 53.75 3jx8 s ALA 61 Cb -0.17 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 3jx8 s ALA 61 CO 0.59 -1.42 1.31 -2.30 0.00 0.00 0.00 175.76 173.94 3jx8 n PRO 62 N -1.09 1.89 -3.81 0.00 -0.02 -1.26 -4.90 135.00 125.80 3jx8 n PRO 62 Ca 0.11 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3jx8 n PRO 62 Cb 0.45 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 3jx8 n PRO 62 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3jx8 s TYR 63 N -1.24 -0.17 -0.04 6.00 5.04 -1.05 -4.79 117.35 121.10 3jx8 s TYR 63 Ca 0.64 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 3jx8 s TYR 63 Cb -0.47 0.05 0.03 0.00 0.35 0.00 0.00 41.96 41.93 3jx8 s TYR 63 CO 0.55 -0.16 0.09 -1.17 -1.34 0.00 0.00 175.55 173.52 3jx8 s LEU 64 N -0.29 0.82 -0.05 6.97 2.96 -1.25 -1.69 118.68 126.15 3jx8 s LEU 64 Ca -0.04 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3jx8 s LEU 64 Cb -0.03 0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.80 3jx8 s LEU 64 CO 0.01 -0.15 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.22 3jx8 s SER 65 N 1.23 1.68 -0.06 3.68 0.15 0.27 -0.82 113.70 119.83 3jx8 s SER 65 Ca -0.08 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.33 3jx8 s SER 65 Cb -0.12 -0.60 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 3jx8 s SER 65 CO -0.04 0.07 -0.16 -0.69 1.20 0.00 0.00 173.24 173.62 3jx8 s VAL 66 N 0.36 1.39 -0.17 4.45 1.01 -0.13 -0.77 120.40 126.54 3jx8 s VAL 66 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3jx8 s VAL 66 Cb -0.12 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3jx8 s VAL 66 CO 0.02 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.48 3jx8 s THR 67 N 0.41 1.83 0.18 3.92 2.01 0.18 -0.55 115.64 123.63 3jx8 s THR 67 Ca -0.12 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 3jx8 s THR 67 Cb -0.15 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.67 3jx8 s THR 67 CO 0.04 0.45 0.44 -0.51 -0.69 0.00 0.00 174.62 174.35 3jx8 s ILE 68 N 1.37 0.04 0.19 1.82 2.07 -0.71 -1.16 121.20 124.82 3jx8 s ILE 68 Ca 0.04 -0.93 -0.32 0.00 -1.41 0.00 0.00 60.65 58.02 3jx8 s ILE 68 Cb -0.14 -1.61 -0.15 0.00 0.13 0.00 0.00 42.46 40.70 3jx8 s ILE 68 CO -0.11 -0.20 1.16 0.47 -1.91 0.00 0.00 174.94 174.35 3jx8 n ASP 69 N -0.29 1.43 -0.17 4.50 9.92 -1.24 -1.21 116.55 129.49 3jx8 n ASP 69 Ca -0.10 1.15 0.08 0.00 -0.53 0.00 0.00 54.79 55.39 3jx8 n ASP 69 Cb 0.63 -1.24 0.39 0.00 -0.64 0.00 0.00 41.12 40.26 3jx8 n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 3jx8 h GLU 70 N 3.29 0.65 0.00 -1.24 4.11 -1.26 -0.29 114.58 119.84 3jx8 h GLU 70 Ca -0.43 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 3jx8 h GLU 70 Cb 1.34 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3jx8 h GLU 70 CO 0.69 0.43 -0.01 -2.95 0.07 0.00 0.00 179.01 177.25 3jx8 h ASN 71 N 0.67 0.00 1.02 3.06 -1.07 -1.88 -3.23 115.58 114.16 3jx8 h ASN 71 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.69 3jx8 h ASN 71 Cb 0.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 3jx8 h ASN 71 CO -0.11 0.01 -0.41 0.18 0.07 0.00 0.00 177.43 177.17 3jx8 n LEU 72 N -3.10 0.69 -0.18 6.14 4.77 -0.12 -3.71 117.00 121.49 3jx8 n LEU 72 Ca 0.00 0.33 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 3jx8 n LEU 72 Cb 0.28 -0.24 0.32 0.00 -2.33 0.00 0.00 43.42 41.46 3jx8 n LEU 72 CO 0.27 -0.08 1.22 -0.26 -1.33 0.00 0.00 177.39 177.21 3jx8 h PHE 73 N 0.00 0.80 0.00 -1.77 0.04 -1.65 -1.30 116.94 113.06 3jx8 h PHE 73 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3jx8 h PHE 73 Cb 0.72 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3jx8 h PHE 73 CO 0.00 0.46 0.00 -0.44 -0.60 0.00 0.00 178.31 177.73 3jx8 h ASP 74 N 0.82 0.00 -0.39 2.17 3.32 -1.81 -2.59 116.42 117.94 3jx8 h ASP 74 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3jx8 h ASP 74 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3jx8 h ASP 74 CO -0.08 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.22 3jx8 n TYR 75 N -2.68 0.77 -4.78 4.55 4.02 -0.49 -5.00 117.16 113.55 3jx8 n TYR 75 Ca -0.02 -0.61 -0.25 0.00 -0.01 0.00 0.00 57.90 57.01 3jx8 n TYR 75 Cb 0.07 -0.13 -0.16 0.00 -0.02 0.00 0.00 39.34 39.10 3jx8 n TYR 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3jx8 s LEU 76 N -1.59 1.90 -0.15 7.72 2.96 -0.98 -0.39 118.68 128.16 3jx8 s LEU 76 Ca 0.34 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 3jx8 s LEU 76 Cb 0.22 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 3jx8 s LEU 76 CO 0.16 0.14 0.48 -0.69 -1.32 0.00 0.00 176.35 175.13 3jx8 s VAL 77 N 0.04 5.17 -0.31 1.68 1.01 0.67 -4.83 120.40 123.83 3jx8 s VAL 77 Ca -0.03 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 3jx8 s VAL 77 Cb -0.11 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.57 3jx8 s VAL 77 CO 0.02 0.28 0.14 0.42 0.00 0.00 0.00 175.10 175.96 3jx8 s THR 78 N 0.94 0.27 0.23 3.92 -4.23 -1.25 -1.85 115.64 113.67 3jx8 s THR 78 Ca 0.25 -1.15 -0.22 0.00 -1.18 0.00 0.00 61.69 59.39 3jx8 s THR 78 Cb -0.15 -1.22 0.04 0.00 1.34 0.00 0.00 72.50 72.51 3jx8 s THR 78 CO 0.10 -0.76 0.77 -1.83 -0.54 0.00 0.00 174.62 172.36 3jx8 s GLU 79 N 1.74 1.56 -0.17 3.99 -1.05 -0.36 -5.01 118.70 119.40 3jx8 s GLU 79 Ca 0.11 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 54.07 3jx8 s GLU 79 Cb -0.18 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 3jx8 s GLU 79 CO -0.27 -0.71 -0.05 0.08 0.95 0.00 0.00 175.26 175.26 3jx8 s VAL 80 N -3.72 3.57 -0.06 1.83 1.01 -1.26 0.17 120.40 121.95 3jx8 s VAL 80 Ca 0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3jx8 s VAL 80 Cb -0.04 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.79 3jx8 s VAL 80 CO 0.03 0.47 0.13 -0.70 0.00 0.00 0.00 175.10 175.04 3jx8 s GLU 81 N 0.73 0.11 -1.47 2.72 2.12 -0.41 -4.86 118.70 117.64 3jx8 s GLU 81 Ca -0.03 0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.52 3jx8 s GLU 81 Cb -0.15 -0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.20 3jx8 s GLU 81 CO 0.02 -0.10 0.61 0.41 -0.54 0.00 0.00 175.26 175.66 3jx8 n GLY 82 N 3.66 -0.51 2.22 -1.50 0.00 -1.26 -1.41 105.19 106.39 3jx8 n GLY 82 Ca -0.20 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 3jx8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx8 n GLY 83 N -1.45 0.59 3.03 -0.02 0.00 -1.26 -4.99 105.19 101.08 3jx8 n GLY 83 Ca -0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3jx8 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jx8 s THR 84 N -1.97 1.52 -0.08 2.61 2.01 -0.50 -1.24 115.64 117.99 3jx8 s THR 84 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 3jx8 s THR 84 Cb 0.00 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 3jx8 s THR 84 CO 0.00 0.45 1.15 -0.22 -0.69 0.00 0.00 174.62 175.31 3jx8 s LEU 85 N 1.32 4.26 -0.19 4.42 2.96 -0.00 -1.28 118.68 130.16 3jx8 s LEU 85 Ca 0.01 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.64 3jx8 s LEU 85 Cb -0.14 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.02 3jx8 s LEU 85 CO -0.07 -0.56 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.67 3jx8 s LYS 86 N 2.29 2.94 -0.15 1.98 1.02 0.13 -0.24 119.74 127.71 3jx8 s LYS 86 Ca 0.53 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.65 3jx8 s LYS 86 Cb -0.22 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3jx8 s LYS 86 CO 0.20 -0.24 -0.03 0.42 -0.92 0.00 0.00 175.35 174.78 3jx8 s ILE 87 N 1.28 0.87 -0.04 2.17 1.01 -0.28 -1.23 121.20 124.99 3jx8 s ILE 87 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3jx8 s ILE 87 Cb -0.14 -1.11 0.11 0.00 0.01 0.00 0.00 42.46 41.33 3jx8 s ILE 87 CO -0.12 0.08 0.89 -0.72 0.00 0.00 0.00 174.94 175.08 3jx8 s TYR 88 N 1.74 -0.37 0.39 3.97 -0.85 -0.77 -0.48 117.35 120.97 3jx8 s TYR 88 Ca 0.01 0.35 -0.25 0.00 -0.52 0.00 0.00 57.07 56.66 3jx8 s TYR 88 Cb -0.15 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 42.62 3jx8 s TYR 88 CO -0.07 -0.51 1.15 -2.14 -1.52 0.00 0.00 175.55 172.46 3jx8 s PRO 89 N -2.60 4.10 0.72 -3.49 0.02 -1.26 -0.24 135.00 132.25 3jx8 s PRO 89 Ca 0.03 1.80 -0.14 0.00 0.02 0.00 0.00 61.00 62.70 3jx8 s PRO 89 Cb -0.01 -2.69 0.03 0.00 0.02 0.00 0.00 34.50 31.86 3jx8 s PRO 89 CO -0.06 -0.27 1.15 0.15 -0.33 0.00 0.00 177.00 177.64 3jx8 s LYS 90 N -2.28 2.33 0.48 5.54 1.02 0.47 -4.71 119.74 122.60 3jx8 s LYS 90 Ca 0.56 1.54 -0.24 0.00 0.02 0.00 0.00 55.97 57.86 3jx8 s LYS 90 Cb -0.30 -1.88 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 3jx8 s LYS 90 CO 0.37 -1.64 1.38 0.43 -0.92 0.00 0.00 175.35 174.97 3jx8 n SER 91 N -2.78 2.95 -4.73 2.83 7.64 -1.26 -1.99 113.62 116.29 3jx8 n SER 91 Ca 0.12 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 3jx8 n SER 91 Cb 0.51 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 3jx8 n SER 91 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3jx8 s ILE 92 N -1.23 2.10 0.03 0.44 1.01 -0.31 -4.78 121.20 118.46 3jx8 s ILE 92 Ca 0.65 0.08 -0.33 0.00 0.00 0.00 0.00 60.65 61.05 3jx8 s ILE 92 Cb -0.44 -3.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 3jx8 s ILE 92 CO 0.54 0.01 1.82 1.17 0.00 0.00 0.00 174.94 178.48 3jx8 n LYS 93 N 3.39 2.39 -1.76 2.79 4.81 -1.26 -0.78 118.16 127.75 3jx8 n LYS 93 Ca 0.13 0.87 -0.18 0.00 -0.87 0.00 0.00 58.31 58.26 3jx8 n LYS 93 Cb 0.36 -2.73 -0.06 0.00 0.02 0.00 0.00 35.03 32.63 3jx8 n LYS 93 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3jx8 n LYS 94 N 5.82 -1.32 -0.16 1.64 4.76 -1.26 -4.85 118.16 122.79 3jx8 n LYS 94 Ca 0.20 1.07 0.12 0.00 -2.87 0.00 0.00 58.31 56.83 3jx8 n LYS 94 Cb 0.32 -5.41 0.22 0.00 -1.84 0.00 0.00 35.03 28.32 3jx8 n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jx8 n GLY 95 N -0.81 1.50 2.28 0.72 0.00 0.05 -4.98 105.19 103.94 3jx8 n GLY 95 Ca -0.19 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3jx8 n GLY 95 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3jx8 n PHE 96 N 1.36 -0.63 -1.80 1.61 3.72 -1.26 -1.75 117.46 118.71 3jx8 n PHE 96 Ca 0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 3jx8 n PHE 96 Cb 0.58 -2.99 -0.06 0.00 -0.94 0.00 0.00 39.48 36.06 3jx8 n PHE 96 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3jx8 n ASN 97 N -0.69 -5.18 0.08 4.37 3.02 -1.26 -4.87 115.26 110.72 3jx8 n ASN 97 Ca -0.17 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 54.86 3jx8 n ASN 97 Cb 0.62 -4.53 0.45 0.00 -0.61 0.00 0.00 39.78 35.71 3jx8 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3jx8 n ASN 98 N -1.41 0.64 -3.59 6.41 3.02 -0.72 -4.93 115.26 114.69 3jx8 n ASN 98 Ca -0.20 0.56 -0.03 0.00 -0.03 0.00 0.00 54.58 54.88 3jx8 n ASN 98 Cb 0.64 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3jx8 n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3jx8 s ASN 99 N -4.19 -0.09 0.26 6.41 2.20 -1.26 -5.11 114.94 113.16 3jx8 s ASN 99 Ca 0.11 -0.48 0.02 0.00 -0.94 0.00 0.00 52.86 51.58 3jx8 s ASN 99 Cb 0.14 0.45 -0.05 0.00 -2.00 0.00 0.00 41.25 39.78 3jx8 s ASN 99 CO 0.58 -0.86 0.06 -0.94 -2.94 0.00 0.00 177.10 173.01 3jx8 s SER 100 N -3.14 1.57 0.48 3.54 1.04 -1.26 -1.16 113.70 114.76 3jx8 s SER 100 Ca 0.16 -1.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.03 3jx8 s SER 100 Cb -0.01 0.08 -0.07 0.00 0.10 0.00 0.00 66.02 66.12 3jx8 s SER 100 CO 0.03 -0.65 1.22 -0.31 0.98 0.00 0.00 173.24 174.50 3jx8 s TYR 101 N -3.59 2.72 -0.64 5.02 2.02 -0.84 -4.73 117.35 117.31 3jx8 s TYR 101 Ca 0.35 1.49 -0.14 0.00 -0.37 0.00 0.00 57.07 58.40 3jx8 s TYR 101 Cb 0.08 -3.49 0.16 0.00 -0.40 0.00 0.00 41.96 38.30 3jx8 s TYR 101 CO 0.12 -1.88 0.58 0.34 -1.57 0.00 0.00 175.55 173.14 3jx8 s ASP 102 N -1.24 6.32 -0.07 2.29 2.15 0.13 -4.87 116.67 121.37 3jx8 s ASP 102 Ca 0.66 -2.15 -0.19 0.00 0.43 0.00 0.00 52.55 51.30 3jx8 s ASP 102 Cb -0.32 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 3jx8 s ASP 102 CO 0.38 -0.73 0.53 -0.76 -0.17 0.00 0.00 175.17 174.43 3jx8 s LEU 103 N 1.03 4.33 -0.76 -1.34 1.43 -1.26 -1.13 118.68 120.98 3jx8 s LEU 103 Ca 0.09 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 3jx8 s LEU 103 Cb -0.23 -2.80 0.20 0.00 0.03 0.00 0.00 46.19 43.40 3jx8 s LEU 103 CO -0.02 0.03 0.65 0.54 0.23 0.00 0.00 176.35 177.79 3jx8 n ARG 104 N 3.30 2.26 -1.24 1.70 5.12 -0.23 -4.95 116.66 122.62 3jx8 n ARG 104 Ca -0.07 -4.52 -0.31 0.00 -1.93 0.00 0.00 57.85 51.01 3jx8 n ARG 104 Cb 0.51 -2.33 0.10 0.00 -1.16 0.00 0.00 32.46 29.59 3jx8 n ARG 104 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3jx8 s PRO 105 N -1.66 2.13 0.08 5.56 0.04 -1.26 -0.36 135.00 139.53 3jx8 s PRO 105 Ca 0.28 1.28 0.22 0.00 0.04 0.00 0.00 61.00 62.82 3jx8 s PRO 105 Cb -0.02 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.49 3jx8 s PRO 105 CO -0.12 -1.75 0.76 0.25 0.04 0.00 0.00 177.00 176.17 3jx8 n THR 106 N -3.45 0.46 -3.79 1.26 -2.24 -1.26 -4.79 114.28 100.47 3jx8 n THR 106 Ca 0.10 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3jx8 n THR 106 Cb 0.53 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 3jx8 n THR 106 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jx8 s VAL 107 N -3.35 -0.00 -0.28 2.28 1.01 -1.26 -5.06 120.40 113.73 3jx8 s VAL 107 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3jx8 s VAL 107 Cb 0.11 -0.33 0.17 0.00 0.00 0.00 0.00 36.38 36.34 3jx8 s VAL 107 CO 0.84 0.01 0.48 -0.47 0.00 0.00 0.00 175.10 175.96 3jx8 s TYR 108 N 0.24 -1.32 0.01 5.22 5.04 -1.25 -3.69 117.35 121.60 3jx8 s TYR 108 Ca -0.01 0.79 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 3jx8 s TYR 108 Cb -0.02 0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.37 3jx8 s TYR 108 CO -0.01 -0.97 -0.16 0.15 -1.34 0.00 0.00 175.55 173.23 3jx8 s LYS 109 N 2.67 1.18 -0.01 4.97 1.02 -0.31 -1.54 119.74 127.72 3jx8 s LYS 109 Ca 0.11 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.46 3jx8 s LYS 109 Cb -0.12 -1.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 3jx8 s LYS 109 CO -0.26 0.31 -0.11 0.42 -0.92 0.00 0.00 175.35 174.79 3jx8 s ILE 110 N -0.58 0.86 -0.07 2.17 1.01 0.05 -0.64 121.20 124.00 3jx8 s ILE 110 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3jx8 s ILE 110 Cb -0.07 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3jx8 s ILE 110 CO 0.00 0.25 -0.07 -0.75 0.00 0.00 0.00 174.94 174.37 3jx8 s LYS 111 N -0.24 1.23 0.05 2.79 2.20 0.05 -0.84 119.74 124.98 3jx8 s LYS 111 Ca 0.04 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 3jx8 s LYS 111 Cb -0.04 -1.23 0.02 0.00 -1.51 0.00 0.00 37.83 35.06 3jx8 s LYS 111 CO -0.00 -0.15 0.27 0.45 -0.36 0.00 0.00 175.35 175.56 3jx8 s SER 112 N 1.26 -0.07 0.04 1.43 0.15 -0.35 -0.56 113.70 115.60 3jx8 s SER 112 Ca -0.05 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.29 3jx8 s SER 112 Cb -0.14 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 3jx8 s SER 112 CO -0.02 -0.63 0.04 0.54 1.20 0.00 0.00 173.24 174.37 3jx8 s ASN 113 N -2.20 0.27 0.30 5.45 4.22 -0.68 -2.57 114.94 119.72 3jx8 s ASN 113 Ca -0.03 -0.64 -0.01 0.00 -2.14 0.00 0.00 52.86 50.04 3jx8 s ASN 113 Cb -0.00 0.19 -0.02 0.00 1.28 0.00 0.00 41.25 42.71 3jx8 s ASN 113 CO -0.05 -0.49 0.35 -0.94 -2.04 0.00 0.00 177.10 173.93 3jx8 s SER 114 N -2.18 0.86 0.16 3.54 1.04 -1.14 -2.52 113.70 113.45 3jx8 s SER 114 Ca -0.04 -1.48 -0.12 0.00 0.48 0.00 0.00 55.95 54.79 3jx8 s SER 114 Cb -0.01 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.72 3jx8 s SER 114 CO -0.05 -1.12 1.65 0.11 0.98 0.00 0.00 173.24 174.80 3jx8 h LYS 115 N 2.24 0.87 -2.75 4.02 1.79 -1.76 0.14 116.57 121.13 3jx8 h LYS 115 Ca -0.29 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 57.84 3jx8 h LYS 115 Cb 1.24 -0.10 -0.22 0.00 -1.58 0.00 0.00 32.23 31.57 3jx8 h LYS 115 CO 0.41 0.85 -0.19 -2.00 -1.08 0.00 0.00 179.45 177.43 3jx8 s GLU 116 N -5.21 0.63 -0.37 3.15 2.12 -1.26 -4.02 118.70 113.74 3jx8 s GLU 116 Ca -0.13 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3jx8 s GLU 116 Cb 0.12 0.29 0.10 0.00 0.26 0.00 0.00 34.13 34.91 3jx8 s GLU 116 CO 0.81 -0.14 0.13 -1.17 -0.54 0.00 0.00 175.26 174.35 3jx8 s LEU 117 N -0.53 4.97 0.02 2.70 2.96 -1.26 -4.05 118.68 123.49 3jx8 s LEU 117 Ca -0.06 -2.04 -0.12 0.00 -0.22 0.00 0.00 54.13 51.69 3jx8 s LEU 117 Cb -0.04 -1.74 -0.33 0.00 0.50 0.00 0.00 46.19 44.59 3jx8 s LEU 117 CO 0.03 -0.46 0.96 0.11 -1.32 0.00 0.00 176.35 175.67 3jx8 h LYS 118 N 7.87 0.45 -2.87 1.98 1.57 -1.22 -3.43 116.57 120.91 3jx8 h LYS 118 Ca -0.10 -0.77 -0.19 0.00 -1.87 0.00 0.00 60.65 57.73 3jx8 h LYS 118 Cb 1.04 0.28 -0.30 0.00 0.08 0.00 0.00 32.23 33.33 3jx8 h LYS 118 CO 0.61 1.36 -0.47 -2.00 -0.57 0.00 0.00 179.45 178.38 3jx8 s GLU 119 N -2.61 0.22 -0.17 3.15 2.12 -1.18 -0.53 118.70 119.70 3jx8 s GLU 119 Ca -0.09 0.69 -0.04 0.00 0.36 0.00 0.00 54.97 55.88 3jx8 s GLU 119 Cb 0.05 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 3jx8 s GLU 119 CO 0.91 -0.22 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.23 3jx8 s LEU 120 N 1.82 3.33 -0.28 2.70 2.96 0.14 -1.47 118.68 127.89 3jx8 s LEU 120 Ca -0.05 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3jx8 s LEU 120 Cb -0.11 -1.81 0.07 0.00 0.50 0.00 0.00 46.19 44.84 3jx8 s LEU 120 CO -0.09 0.15 -0.05 0.20 -1.32 0.00 0.00 176.35 175.24 3jx8 s ASN 121 N 0.46 4.41 -0.05 3.68 0.01 0.32 -0.43 114.94 123.32 3jx8 s ASN 121 Ca -0.02 -1.57 0.06 0.00 -0.71 0.00 0.00 52.86 50.62 3jx8 s ASN 121 Cb -0.14 -1.48 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 3jx8 s ASN 121 CO 0.02 -0.26 -0.24 0.28 -1.51 0.00 0.00 177.10 175.40 3jx8 s THR 122 N 1.12 2.16 -0.03 1.60 -1.32 -0.13 -0.76 115.64 118.28 3jx8 s THR 122 Ca -0.02 -1.04 -0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3jx8 s THR 122 Cb -0.19 -1.78 0.03 0.00 -1.51 0.00 0.00 72.50 69.04 3jx8 s THR 122 CO -0.07 0.57 0.02 -0.69 -2.21 0.00 0.00 174.62 172.25 3jx8 s VAL 123 N -0.25 0.07 -2.75 5.08 1.01 -0.35 -1.59 120.40 121.61 3jx8 s VAL 123 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3jx8 s VAL 123 Cb -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3jx8 s VAL 123 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3jx8 n GLY 124 N 4.48 0.66 0.85 4.51 0.00 -0.63 -1.41 105.19 113.65 3jx8 n GLY 124 Ca -0.20 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 43.96 3jx8 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 125 N 0.00 3.08 -2.80 1.61 3.41 -1.24 -0.89 113.62 116.79 3jx8 n SER 125 Ca 0.00 -1.92 -0.11 0.00 -0.26 0.00 0.00 58.87 56.59 3jx8 n SER 125 Cb 0.00 -0.25 0.08 0.00 -0.26 0.00 0.00 64.21 63.78 3jx8 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 126 N 0.94 -2.04 2.84 5.00 0.00 -0.82 -4.28 105.19 106.84 3jx8 n GLY 126 Ca 0.15 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3jx8 n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jx8 s SER 127 N -2.63 1.17 -0.22 1.61 0.15 -0.30 -0.93 113.70 112.56 3jx8 s SER 127 Ca 0.26 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 3jx8 s SER 127 Cb -0.02 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3jx8 s SER 127 CO 0.19 -0.11 -0.07 0.12 1.20 0.00 0.00 173.24 174.57 3jx8 s PHE 128 N 1.34 2.93 -0.07 3.44 2.19 -0.36 -0.17 117.98 127.28 3jx8 s PHE 128 Ca -0.05 -1.12 0.04 0.00 0.33 0.00 0.00 56.93 56.13 3jx8 s PHE 128 Cb -0.13 -2.07 0.00 0.00 -1.31 0.00 0.00 43.02 39.51 3jx8 s PHE 128 CO -0.02 -0.61 -0.18 0.42 1.83 0.00 0.00 175.22 176.66 3jx8 s ILE 129 N 1.43 1.52 -0.14 3.12 1.01 -0.03 -0.33 121.20 127.77 3jx8 s ILE 129 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3jx8 s ILE 129 Cb -0.14 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 3jx8 s ILE 129 CO -0.05 0.44 -0.17 -0.63 0.00 0.00 0.00 174.94 174.52 3jx8 s ILE 130 N 0.33 2.55 -0.06 2.92 1.01 -0.42 -1.30 121.20 126.23 3jx8 s ILE 130 Ca -0.12 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3jx8 s ILE 130 Cb -0.15 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 3jx8 s ILE 130 CO 0.05 0.53 0.15 -1.20 0.00 0.00 0.00 174.94 174.46 3jx8 n SER 131 N 3.85 2.98 -4.96 3.58 7.64 -1.26 -0.50 113.62 124.95 3jx8 n SER 131 Ca -0.19 -0.13 -0.22 0.00 1.01 0.00 0.00 58.87 59.34 3jx8 n SER 131 Cb 0.52 1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 64.92 3jx8 n SER 131 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3jx8 s LYS 132 N -2.21 3.27 0.18 1.43 1.02 -1.26 -3.39 119.74 118.78 3jx8 s LYS 132 Ca -0.01 -0.58 -0.33 0.00 0.02 0.00 0.00 55.97 55.06 3jx8 s LYS 132 Cb 0.04 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.51 3jx8 s LYS 132 CO 0.23 0.04 1.41 -2.30 -0.92 0.00 0.00 175.35 173.81 3jx8 n PRO 133 N -1.80 1.79 -4.00 -1.68 -0.02 -1.26 -4.36 135.00 123.68 3jx8 n PRO 133 Ca -0.03 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 3jx8 n PRO 133 Cb 0.57 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 3jx8 n PRO 133 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3jx8 s THR 134 N 0.30 0.48 -0.21 3.45 2.01 0.05 -4.95 115.64 116.77 3jx8 s THR 134 Ca 0.75 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.62 3jx8 s THR 134 Cb -0.74 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 3jx8 s THR 134 CO 0.46 0.24 0.11 -0.75 -0.69 0.00 0.00 174.62 173.99 3jx8 s LYS 135 N 1.33 4.00 -0.02 4.92 2.20 -1.26 -1.60 119.74 129.31 3jx8 s LYS 135 Ca -0.05 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.32 3jx8 s LYS 135 Cb -0.13 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3jx8 s LYS 135 CO -0.02 0.14 -0.25 0.14 -0.36 0.00 0.00 175.35 175.00 3jx8 s VAL 136 N 0.77 1.97 0.00 4.02 -7.23 0.25 -4.96 120.40 115.21 3jx8 s VAL 136 Ca 0.06 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3jx8 s VAL 136 Cb -0.13 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.18 3jx8 s VAL 136 CO 0.02 0.55 0.00 -3.20 -0.31 0.00 0.00 175.10 172.16 3jx8 n ASN 137 N 2.44 0.00 -4.76 4.85 5.15 -1.26 -1.69 115.26 119.99 3jx8 n ASN 137 Ca -0.16 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.49 3jx8 n ASN 137 Cb 0.51 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.69 3jx8 n ASN 137 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3jx8 s ARG 138 N 0.00 2.19 -0.30 1.20 0.52 -1.26 -0.86 118.95 120.43 3jx8 s ARG 138 Ca 0.00 -2.39 -0.17 0.00 -0.52 0.00 0.00 55.73 52.64 3jx8 s ARG 138 Cb 0.00 -1.53 0.20 0.00 0.52 0.00 0.00 34.95 34.14 3jx8 s ARG 138 CO 0.00 -0.35 1.23 -2.00 0.02 0.00 0.00 175.30 174.19 3jx8 s GLU 140 N -3.87 0.09 -0.21 3.54 2.12 0.31 -4.43 118.70 116.24 3jx8 s GLU 140 Ca 0.07 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3jx8 s GLU 140 Cb 0.02 0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.48 3jx8 s GLU 140 CO 0.03 -0.02 -0.11 0.42 -0.54 0.00 0.00 175.26 175.04 3jx8 s ILE 141 N 1.53 2.72 0.36 -3.70 1.01 0.38 -0.68 121.20 122.83 3jx8 s ILE 141 Ca -0.05 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.89 3jx8 s ILE 141 Cb -0.02 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 3jx8 s ILE 141 CO -0.13 0.42 -0.01 0.20 0.00 0.00 0.00 174.94 175.42 3jx8 s ASN 142 N 1.37 3.97 -0.29 3.58 0.01 0.42 0.22 114.94 124.22 3jx8 s ASN 142 Ca 0.04 -1.16 -0.17 0.00 -0.71 0.00 0.00 52.86 50.86 3jx8 s ASN 142 Cb -0.14 -0.43 0.16 0.00 0.41 0.00 0.00 41.25 41.24 3jx8 s ASN 142 CO -0.08 -0.30 1.05 0.00 -1.51 0.00 0.00 177.10 176.26 3jx8 s ALA 144 N -2.60 -2.32 0.00 0.60 0.00 -0.62 -0.96 121.76 115.86 3jx8 s ALA 144 Ca 0.35 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.42 3jx8 s ALA 144 Cb 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.42 3jx8 s ALA 144 CO 0.18 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3jx8 n GLY 145 N 3.37 0.52 0.30 0.00 0.00 -0.32 -1.60 105.19 107.47 3jx8 n GLY 145 Ca -0.17 -2.23 0.11 0.00 0.00 0.00 0.00 46.02 43.72 3jx8 n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 146 N 0.15 1.53 -3.31 1.61 3.41 -1.10 -1.03 113.62 114.88 3jx8 n SER 146 Ca 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 3jx8 n SER 146 Cb 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3jx8 n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 147 N 1.43 -1.53 3.21 5.00 0.00 -0.07 -4.17 105.19 109.06 3jx8 n GLY 147 Ca 0.08 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 3jx8 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx8 s ASN 148 N -1.31 -0.01 -0.07 1.61 4.22 -0.11 -1.49 114.94 117.77 3jx8 s ASN 148 Ca 0.00 -0.33 0.02 0.00 -2.14 0.00 0.00 52.86 50.41 3jx8 s ASN 148 Cb 0.00 0.32 0.01 0.00 1.28 0.00 0.00 41.25 42.86 3jx8 s ASN 148 CO 0.00 -0.60 -0.13 -0.69 -2.04 0.00 0.00 177.10 173.65 3jx8 s VAL 149 N -2.70 1.20 -0.15 3.54 1.01 -0.42 -1.23 120.40 121.66 3jx8 s VAL 149 Ca -0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3jx8 s VAL 149 Cb -0.00 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.31 3jx8 s VAL 149 CO -0.04 0.37 -0.08 -1.61 0.00 0.00 0.00 175.10 173.74 3jx8 s GLU 150 N 0.72 1.64 -0.79 2.72 2.02 0.55 -1.18 118.70 124.38 3jx8 s GLU 150 Ca -0.13 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 3jx8 s GLU 150 Cb -0.16 -1.96 0.17 0.00 0.10 0.00 0.00 34.13 32.28 3jx8 s GLU 150 CO 0.03 -0.36 0.82 -0.51 0.02 0.00 0.00 175.26 175.26 3jx8 s LEU 151 N 1.61 6.06 0.01 1.80 1.43 -0.11 -1.30 118.68 128.17 3jx8 s LEU 151 Ca 0.02 -2.24 0.06 0.00 -1.03 0.00 0.00 54.13 50.94 3jx8 s LEU 151 Cb -0.14 -2.27 -0.24 0.00 0.03 0.00 0.00 46.19 43.57 3jx8 s LEU 151 CO -0.08 -0.81 0.86 0.03 0.23 0.00 0.00 176.35 176.58 3jx8 h ARG 152 N 8.37 0.08 -7.30 1.70 3.08 -1.07 -0.54 114.38 118.69 3jx8 h ARG 152 Ca 0.01 -0.13 -0.48 0.00 0.07 0.00 0.00 59.98 59.45 3jx8 h ARG 152 Cb 1.05 0.05 0.07 0.00 0.08 0.00 0.00 29.97 31.22 3jx8 h ARG 152 CO 0.92 0.82 0.30 0.20 -1.07 0.00 0.00 179.97 181.15 3jx8 s GLY 153 N -4.99 1.62 0.13 0.04 0.00 -1.16 -4.65 107.32 98.31 3jx8 s GLY 153 Ca -0.05 -0.51 -0.31 0.00 0.00 0.00 0.00 44.72 43.85 3jx8 s GLY 153 CO 0.83 -0.18 1.61 2.56 0.00 0.00 0.00 173.10 177.92 3jx8 s PRO 154 N -5.18 4.20 -0.15 2.90 0.04 -1.26 -4.50 135.00 131.06 3jx8 s PRO 154 Ca 0.56 2.37 -0.03 0.00 0.04 0.00 0.00 61.00 63.94 3jx8 s PRO 154 Cb -0.11 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 3jx8 s PRO 154 CO 0.49 -0.66 -0.06 0.08 0.04 0.00 0.00 177.00 176.88 3jx8 s VAL 155 N 1.70 3.67 -0.01 -0.36 1.01 0.67 -0.77 120.40 126.30 3jx8 s VAL 155 Ca 0.72 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3jx8 s VAL 155 Cb -0.43 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3jx8 s VAL 155 CO 0.32 0.50 0.03 -0.75 0.00 0.00 0.00 175.10 175.20 3jx8 s LYS 156 N 0.39 0.02 0.00 2.72 2.20 -0.63 -0.45 119.74 124.00 3jx8 s LYS 156 Ca -0.06 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3jx8 s LYS 156 Cb -0.15 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 3jx8 s LYS 156 CO 0.04 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3jx8 n GLY 157 N 3.29 0.37 0.06 5.54 0.00 -0.51 -0.58 105.19 113.36 3jx8 n GLY 157 Ca -0.15 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3jx8 n GLY 157 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3jx8 h TYR 158 N 0.00 0.00 -3.28 1.61 3.20 -1.30 -2.31 116.97 114.89 3jx8 h TYR 158 Ca 0.00 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3jx8 h TYR 158 Cb 0.00 0.00 -0.31 0.00 1.54 0.00 0.00 36.73 37.96 3jx8 h TYR 158 CO 0.00 0.46 -0.59 0.21 -1.64 0.00 0.00 178.16 176.59 3jx8 s LYS 159 N -1.88 0.10 -0.07 1.82 2.20 -0.04 -0.30 119.74 121.56 3jx8 s LYS 159 Ca -0.09 0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.91 3jx8 s LYS 159 Cb -0.01 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3jx8 s LYS 159 CO 0.31 -0.14 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.75 3jx8 s LEU 160 N 1.01 2.04 -0.12 5.43 2.96 -0.76 -4.21 118.68 125.03 3jx8 s LEU 160 Ca -0.08 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3jx8 s LEU 160 Cb -0.10 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3jx8 s LEU 160 CO -0.05 0.19 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.27 3jx8 s GLU 161 N 0.09 2.75 -0.31 1.98 2.12 -1.26 -1.34 118.70 122.74 3jx8 s GLU 161 Ca -0.10 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.50 3jx8 s GLU 161 Cb -0.15 -2.22 0.08 0.00 0.26 0.00 0.00 34.13 32.10 3jx8 s GLU 161 CO 0.06 0.01 -0.02 0.00 -0.54 0.00 0.00 175.26 174.77 3jx8 s ASN 163 N 0.99 4.46 -0.30 0.00 0.01 0.13 -1.27 114.94 118.96 3jx8 s ASN 163 Ca 0.03 -1.05 -0.10 0.00 -0.71 0.00 0.00 52.86 51.02 3jx8 s ASN 163 Cb -0.19 -0.50 0.17 0.00 0.41 0.00 0.00 41.25 41.14 3jx8 s ASN 163 CO -0.07 -0.53 0.88 0.00 -1.51 0.00 0.00 177.10 175.87 3jx8 s ALA 165 N -2.58 -2.77 0.00 0.60 0.00 -1.26 -3.98 121.76 111.76 3jx8 s ALA 165 Ca 0.41 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3jx8 s ALA 165 Cb 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3jx8 s ALA 165 CO 0.23 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3jx8 n GLY 166 N 5.30 0.86 0.61 0.00 0.00 -0.72 -1.17 105.19 110.06 3jx8 n GLY 166 Ca -0.07 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.22 3jx8 n GLY 166 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 167 N 2.13 2.07 -2.47 1.61 3.41 -1.06 -0.73 113.62 118.57 3jx8 n SER 167 Ca 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3jx8 n SER 167 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3jx8 n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 168 N 1.33 0.01 3.28 5.00 0.00 -0.20 -4.33 105.19 110.27 3jx8 n GLY 168 Ca 0.13 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 3jx8 n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx8 s ASN 169 N -1.00 -0.19 -0.09 1.61 4.22 -0.56 -1.72 114.94 117.21 3jx8 s ASN 169 Ca 0.00 -0.07 0.03 0.00 -2.14 0.00 0.00 52.86 50.68 3jx8 s ASN 169 Cb 0.00 0.37 0.01 0.00 1.28 0.00 0.00 41.25 42.91 3jx8 s ASN 169 CO 0.00 -0.60 -0.17 -0.63 -2.04 0.00 0.00 177.10 173.66 3jx8 s ILE 170 N -2.29 1.53 -0.06 0.54 1.01 -0.73 -1.30 121.20 119.91 3jx8 s ILE 170 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3jx8 s ILE 170 Cb -0.02 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.08 3jx8 s ILE 170 CO -0.01 0.44 -0.18 -0.51 0.00 0.00 0.00 174.94 174.68 3jx8 s ILE 171 N 0.68 1.54 -0.28 2.92 2.07 -0.33 -0.94 121.20 126.87 3jx8 s ILE 171 Ca -0.13 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.38 3jx8 s ILE 171 Cb -0.16 -1.34 0.06 0.00 0.13 0.00 0.00 42.46 41.15 3jx8 s ILE 171 CO 0.03 0.44 -0.07 0.00 -1.91 0.00 0.00 174.94 173.44 3jx8 s ALA 172 N 0.27 2.66 -0.80 1.50 0.00 -0.12 -0.94 121.76 124.34 3jx8 s ALA 172 Ca -0.10 -1.78 0.26 0.00 0.00 0.00 0.00 51.96 50.33 3jx8 s ALA 172 Cb -0.14 -1.72 0.66 0.00 0.00 0.00 0.00 23.12 21.92 3jx8 s ALA 172 CO 0.04 -1.23 1.57 1.63 0.00 0.00 0.00 175.76 177.77 3jx8 n LYS 173 N 4.50 0.17 -2.94 0.00 5.02 -0.21 -1.22 118.16 123.47 3jx8 n LYS 173 Ca -0.13 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.23 3jx8 n LYS 173 Cb 0.42 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3jx8 n LYS 173 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3jx8 s ASP 174 N -3.82 -1.21 0.14 4.39 -1.08 -1.10 -4.60 116.67 109.37 3jx8 s ASP 174 Ca 0.10 -0.99 0.08 0.00 -0.52 0.00 0.00 52.55 51.22 3jx8 s ASP 174 Cb 0.15 1.57 -0.04 0.00 -1.46 0.00 0.00 42.92 43.14 3jx8 s ASP 174 CO 0.65 -0.09 -0.11 0.27 0.52 0.00 0.00 175.17 176.41 3jx8 s ILE 175 N 1.43 3.25 -0.30 4.11 -4.36 -0.20 -0.24 121.20 124.89 3jx8 s ILE 175 Ca 0.21 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 3jx8 s ILE 175 Cb 0.00 -2.55 0.14 0.00 1.25 0.00 0.00 42.46 41.30 3jx8 s ILE 175 CO -0.08 0.02 0.32 -1.58 0.24 0.00 0.00 174.94 173.86 3jx8 s GLN 176 N -2.46 0.37 0.06 0.37 0.74 0.41 -1.00 119.66 118.15 3jx8 s GLN 176 Ca 0.22 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.47 3jx8 s GLN 176 Cb -0.10 -0.62 -0.03 0.00 1.10 0.00 0.00 33.01 33.36 3jx8 s GLN 176 CO 0.14 -1.05 -0.07 -0.51 -0.55 0.00 0.00 175.29 173.25 3jx8 s LEU 177 N 2.29 2.35 0.07 3.68 1.43 -0.73 -1.42 118.68 126.35 3jx8 s LEU 177 Ca 0.10 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3jx8 s LEU 177 Cb -0.14 -0.13 -0.26 0.00 0.03 0.00 0.00 46.19 45.69 3jx8 s LEU 177 CO -0.30 -0.31 1.14 0.44 0.23 0.00 0.00 176.35 177.55 3jx8 h ASP 178 N 3.91 0.84 -3.73 2.29 3.32 -1.14 -2.22 116.42 119.68 3jx8 h ASP 178 Ca -0.36 -0.75 -0.37 0.00 0.02 0.00 0.00 57.03 55.57 3jx8 h ASP 178 Cb 1.19 -0.26 -0.31 0.00 0.22 0.00 0.00 39.33 40.17 3jx8 h ASP 178 CO 0.50 1.56 -0.77 0.20 -1.72 0.00 0.00 179.24 179.01 3jx8 s ASN 179 N -7.37 0.82 -0.06 6.45 0.01 0.58 -1.45 114.94 113.93 3jx8 s ASN 179 Ca -0.09 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 3jx8 s ASN 179 Cb 0.06 -0.24 0.01 0.00 0.41 0.00 0.00 41.25 41.49 3jx8 s ASN 179 CO 0.92 0.02 -0.12 -0.22 -1.51 0.00 0.00 177.10 176.19 3jx8 s LEU 180 N 0.33 1.68 -0.11 0.60 2.96 -0.11 -1.82 118.68 122.22 3jx8 s LEU 180 Ca -0.04 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3jx8 s LEU 180 Cb -0.08 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.84 3jx8 s LEU 180 CO -0.00 0.05 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.44 3jx8 s SER 181 N 0.54 2.11 -0.10 3.68 0.15 -0.45 -0.52 113.70 119.10 3jx8 s SER 181 Ca -0.12 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3jx8 s SER 181 Cb -0.14 -0.84 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 3jx8 s SER 181 CO 0.03 -0.09 -0.20 0.00 1.20 0.00 0.00 173.24 174.18 3jx8 s SER 183 N 0.63 2.03 -0.16 0.00 0.01 -0.40 -0.31 113.70 115.50 3jx8 s SER 183 Ca -0.13 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3jx8 s SER 183 Cb -0.16 -0.86 0.02 0.00 0.21 0.00 0.00 66.02 65.22 3jx8 s SER 183 CO 0.04 -0.04 -0.21 -0.22 0.41 0.00 0.00 173.24 173.22 3jx8 s LEU 184 N 1.21 2.11 -0.08 2.44 2.96 0.29 -4.17 118.68 123.44 3jx8 s LEU 184 Ca -0.04 -0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 53.24 3jx8 s LEU 184 Cb -0.14 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3jx8 s LEU 184 CO -0.03 0.03 -0.04 0.00 -1.32 0.00 0.00 176.35 174.99 3jx8 s ALA 185 N 1.09 3.09 0.00 5.97 0.00 -1.26 -0.17 121.76 130.48 3jx8 s ALA 185 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3jx8 s ALA 185 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3jx8 s ALA 185 CO -0.08 0.55 0.00 0.45 0.00 0.00 0.00 175.76 176.68 3jx8 n SER 186 N 2.29 0.00 -1.05 0.00 2.88 -0.51 -1.75 113.62 115.48 3jx8 n SER 186 Ca -0.18 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.47 3jx8 n SER 186 Cb 0.53 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.16 3jx8 n SER 186 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3jx8 n SER 187 N 0.76 3.24 -3.15 -3.46 3.41 -1.13 -1.42 113.62 111.87 3jx8 n SER 187 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3jx8 n SER 187 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3jx8 n SER 187 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 188 N 1.40 -0.24 3.27 5.00 0.00 0.10 -4.20 105.19 110.52 3jx8 n GLY 188 Ca 0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3jx8 n GLY 188 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 189 N 0.00 0.40 -0.11 1.61 2.12 -0.70 -1.51 118.70 120.50 3jx8 s GLU 189 Ca 0.00 0.72 0.03 0.00 0.36 0.00 0.00 54.97 56.07 3jx8 s GLU 189 Cb 0.00 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.42 3jx8 s GLU 189 CO 0.00 -0.13 -0.20 0.42 -0.54 0.00 0.00 175.26 174.80 3jx8 s ILE 190 N 1.10 2.37 -0.07 -3.70 1.01 -0.55 -1.77 121.20 119.60 3jx8 s ILE 190 Ca -0.07 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3jx8 s ILE 190 Cb -0.07 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.46 3jx8 s ILE 190 CO -0.09 0.55 -0.17 -0.70 0.00 0.00 0.00 174.94 174.52 3jx8 s GLU 191 N 0.40 2.19 -0.02 2.79 2.12 -0.11 -0.27 118.70 125.80 3jx8 s GLU 191 Ca -0.15 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.59 3jx8 s GLU 191 Cb -0.17 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.48 3jx8 s GLU 191 CO 0.07 0.12 -0.07 0.14 -0.54 0.00 0.00 175.26 174.98 3jx8 s VAL 192 N 0.45 0.62 -0.05 3.70 -7.23 -0.63 -0.94 120.40 116.32 3jx8 s VAL 192 Ca -0.14 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 3jx8 s VAL 192 Cb -0.16 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.24 3jx8 s VAL 192 CO 0.05 0.20 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.38 3jx8 s ILE 193 N 0.25 0.49 -0.42 -0.62 1.01 -0.36 -3.70 121.20 117.85 3jx8 s ILE 193 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3jx8 s ILE 193 Cb -0.08 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3jx8 s ILE 193 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3jx8 n GLY 194 N 4.29 0.06 2.93 6.18 0.00 -0.31 -1.03 105.19 117.31 3jx8 n GLY 194 Ca -0.21 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 3jx8 n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jx8 s THR 195 N -4.00 0.31 0.00 2.61 -4.23 -0.17 -1.17 115.64 109.00 3jx8 s THR 195 Ca 0.00 -0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.28 3jx8 s THR 195 Cb 0.00 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.57 3jx8 s THR 195 CO 0.00 0.09 0.12 0.68 -0.54 0.00 0.00 174.62 174.98 3jx8 s VAL 196 N -0.03 0.09 -0.09 2.29 -7.23 -0.40 -1.78 120.40 113.24 3jx8 s VAL 196 Ca 0.01 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.35 3jx8 s VAL 196 Cb -0.02 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 3jx8 s VAL 196 CO -0.00 -0.39 0.40 -0.78 -0.31 0.00 0.00 175.10 174.02 3jx8 h ASP 197 N 4.30 -0.10 -3.37 4.85 3.58 -1.37 -2.87 116.42 121.45 3jx8 h ASP 197 Ca -0.31 -0.27 -0.62 0.00 0.42 0.00 0.00 57.03 56.26 3jx8 h ASP 197 Cb 1.19 0.03 -0.33 0.00 1.72 0.00 0.00 39.33 41.94 3jx8 h ASP 197 CO 0.41 0.51 -0.86 -0.13 -2.88 0.00 0.00 179.24 176.29 3jx8 s ARG 198 N -2.27 2.55 0.03 0.28 0.52 -0.53 -1.49 118.95 118.05 3jx8 s ARG 198 Ca -0.07 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3jx8 s ARG 198 Cb -0.00 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 3jx8 s ARG 198 CO 0.26 0.12 -0.19 0.00 0.02 0.00 0.00 175.30 175.51 3jx8 s ALA 199 N 0.47 1.60 -0.13 2.13 0.00 -0.11 -0.93 121.76 124.78 3jx8 s ALA 199 Ca -0.17 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 3jx8 s ALA 199 Cb -0.17 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.66 3jx8 s ALA 199 CO 0.07 0.36 -0.04 0.45 0.00 0.00 0.00 175.76 176.59 3jx8 s SER 200 N -1.00 2.37 -0.20 0.00 0.15 0.32 -1.36 113.70 113.99 3jx8 s SER 200 Ca 0.06 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.26 3jx8 s SER 200 Cb -0.08 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 3jx8 s SER 200 CO 0.01 -0.17 -0.12 -0.36 1.20 0.00 0.00 173.24 173.80 3jx8 s PHE 201 N 1.74 2.87 -0.07 3.44 0.08 0.09 -0.11 117.98 126.02 3jx8 s PHE 201 Ca 0.03 -1.25 0.02 0.00 0.12 0.00 0.00 56.93 55.84 3jx8 s PHE 201 Cb -0.14 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3jx8 s PHE 201 CO -0.07 -0.66 -0.12 -0.80 -0.10 0.00 0.00 175.22 173.46 3jx8 s ASN 202 N 1.37 1.86 -0.10 1.36 0.01 0.58 -1.15 114.94 118.87 3jx8 s ASN 202 Ca 0.05 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 3jx8 s ASN 202 Cb -0.14 -0.85 0.01 0.00 0.41 0.00 0.00 41.25 40.69 3jx8 s ASN 202 CO -0.07 0.02 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.70 3jx8 s VAL 203 N 0.75 1.46 -0.46 1.60 1.01 0.65 -0.55 120.40 124.87 3jx8 s VAL 203 Ca -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3jx8 s VAL 203 Cb -0.16 -1.33 0.13 0.00 0.00 0.00 0.00 36.38 35.02 3jx8 s VAL 203 CO 0.03 0.43 0.21 0.00 0.00 0.00 0.00 175.10 175.77 3jx8 s ALA 204 N 0.91 2.82 0.00 5.51 0.00 0.76 -0.16 121.76 131.60 3jx8 s ALA 204 Ca -0.08 -2.88 0.00 0.00 0.00 0.00 0.00 51.96 48.99 3jx8 s ALA 204 Cb -0.15 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3jx8 s ALA 204 CO -0.00 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3jx8 n GLY 205 N 3.50 0.95 0.47 0.00 0.00 -0.84 -1.42 105.19 107.85 3jx8 n GLY 205 Ca 0.05 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.29 3jx8 n GLY 205 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 206 N 0.61 1.55 -2.45 1.61 3.41 -1.16 -1.33 113.62 115.87 3jx8 n SER 206 Ca 0.00 -1.38 -0.02 0.00 -0.26 0.00 0.00 58.87 57.21 3jx8 n SER 206 Cb 0.00 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3jx8 n SER 206 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 207 N 1.25 -2.12 2.93 5.00 0.00 -0.51 -4.32 105.19 107.43 3jx8 n GLY 207 Ca 0.16 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 3jx8 n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 208 N -3.16 0.07 -0.20 1.61 2.12 -0.57 -1.71 118.70 116.85 3jx8 s GLU 208 Ca 0.05 0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.47 3jx8 s GLU 208 Cb -0.00 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.35 3jx8 s GLU 208 CO 0.03 -0.05 -0.00 0.42 -0.54 0.00 0.00 175.26 175.13 3jx8 s ILE 209 N 0.29 3.92 -0.43 -3.70 1.01 -0.23 -1.48 121.20 120.59 3jx8 s ILE 209 Ca -0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3jx8 s ILE 209 Cb -0.03 -2.78 0.08 0.00 0.01 0.00 0.00 42.46 39.74 3jx8 s ILE 209 CO -0.01 0.42 0.27 -0.54 0.00 0.00 0.00 174.94 175.09 3jx8 s LYS 210 N 1.06 2.63 -0.03 2.79 1.02 0.62 -1.26 119.74 126.58 3jx8 s LYS 210 Ca 0.02 -1.46 0.11 0.00 0.02 0.00 0.00 55.97 54.66 3jx8 s LYS 210 Cb -0.14 -3.82 0.20 0.00 -0.52 0.00 0.00 37.83 33.55 3jx8 s LYS 210 CO 0.01 -0.97 1.09 0.00 -0.92 0.00 0.00 175.35 174.56 3jx8 n ALA 211 N 4.94 2.28 0.26 5.17 0.00 0.77 -1.61 120.51 132.33 3jx8 n ALA 211 Ca -0.10 -1.81 0.10 0.00 0.00 0.00 0.00 53.44 51.64 3jx8 n ALA 211 Cb 0.43 -0.55 0.71 0.00 0.00 0.00 0.00 19.45 20.04 3jx8 n ALA 211 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3jx8 h PHE 212 N 0.38 0.00 -0.53 0.00 0.04 -1.78 -1.93 116.94 113.12 3jx8 h PHE 212 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3jx8 h PHE 212 Cb 1.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.62 3jx8 h PHE 212 CO 0.16 0.05 0.00 -0.25 -0.60 0.00 0.00 178.31 177.68 3jx8 n ASP 213 N -4.16 5.15 -4.09 2.17 9.92 -1.26 -4.56 116.55 119.71 3jx8 n ASP 213 Ca -0.03 -2.82 -0.34 0.00 -0.53 0.00 0.00 54.79 51.06 3jx8 n ASP 213 Cb 0.14 -0.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.86 3jx8 n ASP 213 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3jx8 s GLN 215 N 1.07 3.74 0.06 0.00 0.74 -0.31 -4.22 119.66 120.74 3jx8 s GLN 215 Ca 0.08 0.91 0.02 0.00 0.05 0.00 0.00 55.36 56.43 3jx8 s GLN 215 Cb -0.21 -3.93 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 3jx8 s GLN 215 CO -0.05 -1.36 0.09 0.00 -0.55 0.00 0.00 175.29 173.42 3jx8 s ALA 216 N 4.76 3.59 -0.12 1.58 0.00 -0.24 -1.28 121.76 130.07 3jx8 s ALA 216 Ca 0.55 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 3jx8 s ALA 216 Cb -0.12 -1.49 -0.19 0.00 0.00 0.00 0.00 23.12 21.33 3jx8 s ALA 216 CO 0.29 0.74 0.61 -0.09 0.00 0.00 0.00 175.76 177.31 3jx8 h ARG 217 N 3.44 -0.02 -5.53 0.00 2.43 -1.11 0.49 114.38 114.08 3jx8 h ARG 217 Ca -0.47 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.09 3jx8 h ARG 217 Cb 1.17 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.41 3jx8 h ARG 217 CO 0.66 0.67 -0.85 0.15 -1.51 0.00 0.00 179.97 179.09 3jx8 s LYS 218 N -2.22 2.07 -0.00 0.20 1.02 -0.55 -0.76 119.74 119.49 3jx8 s LYS 218 Ca -0.14 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.15 3jx8 s LYS 218 Cb -0.02 -1.77 -0.00 0.00 -0.52 0.00 0.00 37.83 35.52 3jx8 s LYS 218 CO 0.50 0.28 -0.04 0.00 -0.92 0.00 0.00 175.35 175.18 3jx8 s ALA 219 N -0.01 0.32 -0.09 5.17 0.00 -0.07 -0.94 121.76 126.14 3jx8 s ALA 219 Ca -0.04 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3jx8 s ALA 219 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3jx8 s ALA 219 CO 0.03 0.08 -0.14 -2.00 0.00 0.00 0.00 175.76 173.72 3jx8 s GLU 220 N -0.07 3.00 -0.07 0.00 2.12 -0.46 -0.65 118.70 122.57 3jx8 s GLU 220 Ca 0.01 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.67 3jx8 s GLU 220 Cb -0.02 -2.51 0.01 0.00 0.26 0.00 0.00 34.13 31.88 3jx8 s GLU 220 CO -0.00 0.39 -0.12 0.00 -0.54 0.00 0.00 175.26 174.98 3jx8 s ASN 222 N 0.69 1.55 -0.14 0.00 0.01 -0.30 -0.65 114.94 116.10 3jx8 s ASN 222 Ca -0.14 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.88 3jx8 s ASN 222 Cb -0.16 -0.55 0.01 0.00 0.41 0.00 0.00 41.25 40.97 3jx8 s ASN 222 CO 0.03 -0.13 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.65 3jx8 s ILE 223 N 1.56 2.02 -0.20 0.60 1.01 -0.29 -0.25 121.20 125.65 3jx8 s ILE 223 Ca -0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3jx8 s ILE 223 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3jx8 s ILE 223 CO -0.04 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.48 3jx8 s ALA 224 N 0.83 3.20 0.00 9.38 0.00 0.77 -0.59 121.76 135.36 3jx8 s ALA 224 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3jx8 s ALA 224 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.07 3jx8 s ALA 224 CO -0.02 -0.09 0.00 0.45 0.00 0.00 0.00 175.76 176.10 3jx8 n SER 225 N 4.11 0.00 -0.96 0.00 2.88 0.28 -1.98 113.62 117.95 3jx8 n SER 225 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3jx8 n SER 225 Cb 0.52 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.21 3jx8 n SER 225 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3jx8 n SER 226 N 3.34 3.59 -3.39 -3.46 3.41 -1.23 -1.15 113.62 114.73 3jx8 n SER 226 Ca 0.00 -2.26 -0.24 0.00 -0.26 0.00 0.00 58.87 56.11 3jx8 n SER 226 Cb 0.00 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 63.75 3jx8 n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 227 N 0.61 -2.28 2.96 5.00 0.00 -0.44 -4.35 105.19 106.70 3jx8 n GLY 227 Ca 0.18 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 3jx8 n GLY 227 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jx8 s GLU 228 N -5.08 0.41 -0.04 1.61 2.12 -0.69 -1.51 118.70 115.51 3jx8 s GLU 228 Ca 0.57 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.71 3jx8 s GLU 228 Cb -0.04 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.97 3jx8 s GLU 228 CO 0.43 0.10 -0.13 0.42 -0.54 0.00 0.00 175.26 175.54 3jx8 s ILE 229 N -0.24 1.15 -0.21 -3.70 1.01 -0.58 -1.07 121.20 117.57 3jx8 s ILE 229 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 3jx8 s ILE 229 Cb -0.03 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.45 3jx8 s ILE 229 CO -0.00 0.34 -0.11 -0.44 0.00 0.00 0.00 174.94 174.73 3jx8 s SER 230 N 0.25 3.86 0.07 3.58 0.01 -0.39 -1.03 113.70 120.05 3jx8 s SER 230 Ca -0.06 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 56.59 3jx8 s SER 230 Cb -0.12 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 3jx8 s SER 230 CO 0.02 -0.05 -0.16 0.54 0.41 0.00 0.00 173.24 174.00 3jx8 s VAL 231 N 1.35 1.25 -0.25 3.43 0.11 0.13 -0.16 120.40 126.26 3jx8 s VAL 231 Ca 0.03 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.81 3jx8 s VAL 231 Cb -0.15 -1.17 0.07 0.00 -1.53 0.00 0.00 36.38 33.60 3jx8 s VAL 231 CO -0.07 -0.12 -0.02 -0.47 -3.33 0.00 0.00 175.10 171.08 3jx8 s TYR 232 N -1.14 2.34 -0.03 1.54 5.04 -1.23 -1.34 117.35 122.54 3jx8 s TYR 232 Ca 0.01 -1.81 0.05 0.00 -2.44 0.00 0.00 57.07 52.87 3jx8 s TYR 232 Cb -0.09 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 3jx8 s TYR 232 CO 0.02 -0.79 -0.16 0.00 -1.34 0.00 0.00 175.55 173.28 3jx8 s ALA 233 N 1.41 1.38 -0.21 3.97 0.00 -1.14 -1.07 121.76 126.10 3jx8 s ALA 233 Ca -0.02 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.39 3jx8 s ALA 233 Cb -0.19 -0.41 -0.22 0.00 0.00 0.00 0.00 23.12 22.31 3jx8 s ALA 233 CO -0.09 0.29 -0.01 0.25 0.00 0.00 0.00 175.76 176.21 3jx8 n THR 234 N 2.92 1.45 -0.05 0.00 -2.24 0.16 -3.68 114.28 112.84 3jx8 n THR 234 Ca -0.16 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.76 3jx8 n THR 234 Cb 0.54 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 3jx8 n THR 234 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jx8 n GLN 235 N -2.97 0.29 -4.32 -0.78 7.27 0.06 -3.40 117.38 113.52 3jx8 n GLN 235 Ca -0.37 0.12 -0.21 0.00 0.07 0.00 0.00 57.00 56.61 3jx8 n GLN 235 Cb 1.09 -0.99 -0.16 0.00 2.41 0.00 0.00 30.24 32.59 3jx8 n GLN 235 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3jx8 s ILE 236 N -2.32 0.73 -0.06 1.69 -1.09 -0.81 -0.78 121.20 118.56 3jx8 s ILE 236 Ca -0.18 -0.27 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3jx8 s ILE 236 Cb 0.06 -0.69 0.02 0.00 -1.58 0.00 0.00 42.46 40.27 3jx8 s ILE 236 CO 0.24 0.25 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.95 3jx8 s LEU 237 N 0.60 1.03 -0.30 2.97 2.96 -0.61 -0.89 118.68 124.44 3jx8 s LEU 237 Ca -0.09 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3jx8 s LEU 237 Cb -0.13 -0.48 0.05 0.00 0.50 0.00 0.00 46.19 46.13 3jx8 s LEU 237 CO 0.01 -0.11 0.01 -0.62 -1.32 0.00 0.00 176.35 174.31 3jx8 s ASP 238 N 1.39 4.89 -0.20 3.68 -1.08 0.18 -0.40 116.67 125.12 3jx8 s ASP 238 Ca -0.04 -1.21 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 3jx8 s ASP 238 Cb -0.13 -1.73 0.03 0.00 -1.46 0.00 0.00 42.92 39.63 3jx8 s ASP 238 CO -0.03 -0.25 -0.17 0.00 0.52 0.00 0.00 175.17 175.24 3jx8 s ALA 239 N 1.28 2.42 -0.07 3.66 0.00 0.63 0.09 121.76 129.77 3jx8 s ALA 239 Ca -0.04 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3jx8 s ALA 239 Cb -0.19 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.62 3jx8 s ALA 239 CO -0.01 -0.59 -0.06 -0.80 0.00 0.00 0.00 175.76 174.30 3jx8 s ASN 240 N 1.25 1.47 -0.06 0.00 0.01 0.18 -0.42 114.94 117.37 3jx8 s ASN 240 Ca 0.01 -0.19 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 3jx8 s ASN 240 Cb -0.15 -0.61 0.02 0.00 0.41 0.00 0.00 41.25 40.92 3jx8 s ASN 240 CO -0.10 -0.07 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.74 3jx8 s ILE 241 N 1.15 0.65 -0.34 0.60 1.01 0.09 -1.14 121.20 123.22 3jx8 s ILE 241 Ca -0.07 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3jx8 s ILE 241 Cb -0.14 -0.67 0.10 0.00 0.01 0.00 0.00 42.46 41.76 3jx8 s ILE 241 CO -0.01 0.26 0.05 -0.69 0.00 0.00 0.00 174.94 174.54 3jx8 s VAL 242 N 1.04 2.33 -3.47 2.92 1.01 0.25 -4.11 120.40 120.37 3jx8 s VAL 242 Ca -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3jx8 s VAL 242 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3jx8 s VAL 242 CO -0.00 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.14 3jx8 n GLY 243 N 4.28 0.80 0.83 4.51 0.00 -1.26 -0.56 105.19 113.80 3jx8 n GLY 243 Ca 0.02 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.21 3jx8 n GLY 243 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 244 N 0.00 2.56 -3.83 1.61 3.41 -1.01 -1.27 113.62 115.09 3jx8 n SER 244 Ca 0.00 -1.84 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 3jx8 n SER 244 Cb 0.00 -0.07 0.28 0.00 -0.26 0.00 0.00 64.21 64.16 3jx8 n SER 244 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3jx8 s GLY 245 N -1.84 1.46 -0.00 5.00 0.00 -0.30 -4.12 107.32 107.51 3jx8 s GLY 245 Ca 0.33 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.48 3jx8 s GLY 245 CO 0.31 0.33 -0.03 -0.54 0.00 0.00 0.00 173.10 173.17 3jx8 s GLU 246 N -4.85 0.27 -0.17 2.90 2.02 -0.57 -1.86 118.70 116.45 3jx8 s GLU 246 Ca 0.69 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.56 3jx8 s GLU 246 Cb -0.18 -0.27 -0.01 0.00 0.10 0.00 0.00 34.13 33.78 3jx8 s GLU 246 CO 0.60 0.06 -0.12 0.42 0.02 0.00 0.00 175.26 176.24 3jx8 s ILE 247 N -0.03 2.90 -0.15 -1.63 1.01 -0.39 -1.52 121.20 121.39 3jx8 s ILE 247 Ca 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3jx8 s ILE 247 Cb -0.02 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3jx8 s ILE 247 CO -0.00 0.50 -0.08 -1.00 0.00 0.00 0.00 174.94 174.36 3jx8 s HIS 248 N 0.88 2.92 0.05 3.97 3.76 -0.19 -1.00 115.29 125.68 3jx8 s HIS 248 Ca -0.03 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 3jx8 s HIS 248 Cb -0.15 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.59 3jx8 s HIS 248 CO -0.00 -0.17 -0.11 1.52 -0.85 0.00 0.00 174.74 175.13 3jx8 s TYR 249 N 0.49 0.91 0.37 1.40 1.13 -0.16 -0.69 117.35 120.81 3jx8 s TYR 249 Ca -0.06 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.20 3jx8 s TYR 249 Cb -0.15 -0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 40.12 3jx8 s TYR 249 CO 0.03 -0.02 0.05 -1.59 -2.51 0.00 0.00 175.55 171.52 3jx8 s LYS 250 N -1.50 1.81 0.00 -3.49 -2.85 -0.45 -0.54 119.74 112.71 3jx8 s LYS 250 Ca -0.05 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 3jx8 s LYS 250 Cb -0.09 -1.08 0.00 0.00 -2.06 0.00 0.00 37.83 34.59 3jx8 s LYS 250 CO 0.01 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.67 3jx8 n GLY 251 N -0.83 0.17 2.79 0.59 0.00 -1.26 -2.87 105.19 103.79 3jx8 n GLY 251 Ca -0.05 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 3jx8 n GLY 251 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jx8 n ASP 252 N -0.41 4.39 -4.83 1.61 8.00 -1.25 -4.97 116.55 119.08 3jx8 n ASP 252 Ca 0.00 -3.66 -0.29 0.00 0.71 0.00 0.00 54.79 51.55 3jx8 n ASP 252 Cb 0.00 -0.54 0.12 0.00 -0.02 0.00 0.00 41.12 40.68 3jx8 n ASP 252 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx8 s PRO 253 N -3.45 1.50 -0.30 -0.24 0.04 -1.22 -4.74 135.00 126.58 3jx8 s PRO 253 Ca 0.48 0.24 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 3jx8 s PRO 253 Cb 0.32 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.98 3jx8 s PRO 253 CO -0.15 -1.94 1.02 -1.21 0.04 0.00 0.00 177.00 174.76 3jx8 s GLU 254 N -5.38 4.07 -0.19 4.56 2.02 0.04 -4.89 118.70 118.93 3jx8 s GLU 254 Ca 0.63 1.02 -0.09 0.00 0.02 0.00 0.00 54.97 56.55 3jx8 s GLU 254 Cb -0.13 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 3jx8 s GLU 254 CO 0.52 -0.82 0.12 -1.50 0.02 0.00 0.00 175.26 173.59 3jx8 s ILE 255 N 3.46 5.29 -0.26 -1.63 2.07 -1.26 -1.58 121.20 127.29 3jx8 s ILE 255 Ca 0.43 0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 3jx8 s ILE 255 Cb -0.13 -3.41 -0.05 0.00 0.13 0.00 0.00 42.46 39.00 3jx8 s ILE 255 CO 0.13 0.45 0.18 -0.44 -1.91 0.00 0.00 174.94 173.35 3jx8 s SER 256 N 0.33 6.06 -0.12 4.50 0.01 0.46 -4.99 113.70 119.96 3jx8 s SER 256 Ca 0.07 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.35 3jx8 s SER 256 Cb -0.11 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 3jx8 s SER 256 CO -0.01 0.01 -0.01 -0.54 0.41 0.00 0.00 173.24 173.09 3jx8 s LYS 257 N 1.42 3.29 -0.13 12.44 1.02 -1.26 -0.27 119.74 136.25 3jx8 s LYS 257 Ca 0.07 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 3jx8 s LYS 257 Cb -0.15 -2.85 0.07 0.00 -0.52 0.00 0.00 37.83 34.37 3jx8 s LYS 257 CO 0.08 0.50 0.23 0.45 -0.92 0.00 0.00 175.35 175.69 3jx8 s SER 258 N -0.33 0.66 0.42 2.83 0.15 0.44 -4.99 113.70 112.89 3jx8 s SER 258 Ca 0.06 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.12 3jx8 s SER 258 Cb -0.12 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3jx8 s SER 258 CO 0.02 -0.26 0.15 -0.38 1.20 0.00 0.00 173.24 173.97 3jx8 n ILE 259 N 5.34 0.00 -3.52 6.45 5.41 -1.26 -0.74 119.36 131.04 3jx8 n ILE 259 Ca -0.05 -2.46 0.00 0.00 1.00 0.00 0.00 62.75 61.24 3jx8 n ILE 259 Cb 0.50 0.88 0.00 0.00 -0.71 0.00 0.00 39.64 40.31 3jx8 n ILE 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3jx8 n GLY 261 N -0.91 -0.14 0.38 7.39 0.00 -1.26 -4.99 105.19 105.66 3jx8 n GLY 261 Ca -0.06 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.34 3jx8 n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx8 n SER 262 N -3.30 1.18 -3.64 1.61 3.41 -1.10 -4.92 113.62 106.86 3jx8 n SER 262 Ca 0.00 -1.47 -0.30 0.00 -0.26 0.00 0.00 58.87 56.84 3jx8 n SER 262 Cb 0.00 -0.03 0.27 0.00 -0.26 0.00 0.00 64.21 64.20 3jx8 n SER 262 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3jx8 s GLY 263 N -1.85 1.46 0.10 5.00 0.00 -0.40 -4.86 107.32 106.77 3jx8 s GLY 263 Ca 0.37 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 44.17 3jx8 s GLY 263 CO 0.31 0.19 0.40 -1.35 0.00 0.00 0.00 173.10 172.65 3jx8 s SER 264 N -3.22 -0.24 -0.07 1.64 1.04 -0.78 -4.97 113.70 107.10 3jx8 s SER 264 Ca 0.69 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.95 3jx8 s SER 264 Cb -0.14 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3jx8 s SER 264 CO 0.58 -0.79 -0.24 -0.63 0.98 0.00 0.00 173.24 173.14 3jx8 s ILE 265 N -3.40 2.13 -0.03 -1.02 1.01 -1.26 -1.26 121.20 117.37 3jx8 s ILE 265 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3jx8 s ILE 265 Cb 0.01 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3jx8 s ILE 265 CO -0.09 0.57 0.10 0.54 0.00 0.00 0.00 174.94 176.06 3jx8 s ASN 266 N -0.01 -0.07 -0.15 3.58 4.22 -0.17 -4.98 114.94 117.36 3jx8 s ASN 266 Ca -0.08 0.11 -0.09 0.00 -2.14 0.00 0.00 52.86 50.66 3jx8 s ASN 266 Cb -0.15 0.21 -0.05 0.00 1.28 0.00 0.00 41.25 42.55 3jx8 s ASN 266 CO 0.05 -0.10 0.17 -0.75 -2.04 0.00 0.00 177.10 174.43 3jx8 s LYS 267 N -0.24 3.83 0.16 3.55 2.20 -1.26 -0.98 119.74 127.00 3jx8 s LYS 267 Ca -0.03 -0.10 0.09 0.00 -0.36 0.00 0.00 55.97 55.57 3jx8 s LYS 267 Cb -0.02 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3jx8 s LYS 267 CO 0.00 0.54 -0.19 0.14 -0.36 0.00 0.00 175.35 175.48 3jx8 s VAL 268 N -0.36 1.88 -2.00 4.02 -7.23 0.30 -4.92 120.40 112.08 3jx8 s VAL 268 Ca 0.13 -1.90 0.24 0.00 -1.81 0.00 0.00 61.98 58.64 3jx8 s VAL 268 Cb -0.12 -1.86 0.69 0.00 0.56 0.00 0.00 36.38 35.65 3jx8 s VAL 268 CO 0.02 -0.27 1.81 0.29 -0.31 0.00 0.00 175.10 176.64