#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 0.13 -5.36 0.11 1.57 -1.95 -3.45 116.57 107.62 3jx8 h LYS 24 Ca 0.00 -0.22 -0.60 0.00 -1.87 0.00 0.00 60.65 57.96 3jx8 h LYS 24 Cb 0.00 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.28 3jx8 h LYS 24 CO 0.00 1.11 -0.38 0.50 -0.57 0.00 0.00 179.45 180.11 3jx8 s ARG 25 N -2.31 4.20 -0.14 3.15 3.52 -1.26 0.42 118.95 126.52 3jx8 s ARG 25 Ca -0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3jx8 s ARG 25 Cb -0.01 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 3jx8 s ARG 25 CO 0.75 0.18 -0.12 0.42 -0.81 0.00 0.00 175.30 175.72 3jx8 s ILE 26 N 0.68 1.42 0.04 4.11 -1.09 0.32 -4.95 121.20 121.73 3jx8 s ILE 26 Ca 0.13 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 3jx8 s ILE 26 Cb -0.13 -1.36 -0.06 0.00 -1.58 0.00 0.00 42.46 39.32 3jx8 s ILE 26 CO 0.03 0.42 0.54 -1.81 -1.23 0.00 0.00 174.94 172.89 3jx8 s ASP 27 N 1.55 6.99 0.35 3.58 1.01 -1.26 -0.50 116.67 128.40 3jx8 s ASP 27 Ca 0.05 1.18 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 3jx8 s ASP 27 Cb -0.13 -2.34 -0.11 0.00 1.01 0.00 0.00 42.92 41.35 3jx8 s ASP 27 CO -0.10 0.26 1.49 -0.83 0.21 0.00 0.00 175.17 176.20 3jx8 s GLY 28 N -0.94 2.77 0.00 0.21 0.00 -0.16 -4.90 107.32 104.29 3jx8 s GLY 28 Ca 0.28 1.55 0.31 0.00 0.00 0.00 0.00 44.72 46.86 3jx8 s GLY 28 CO 0.17 2.30 2.14 1.16 0.00 0.00 0.00 173.10 178.87 3jx8 n ASN 29 N 0.87 0.11 0.00 1.64 6.94 -1.26 -4.77 115.26 118.79 3jx8 n ASN 29 Ca 0.02 -0.78 0.00 0.00 -0.02 0.00 0.00 54.58 53.80 3jx8 n ASN 29 Cb 0.39 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 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 1.10 0.54 2.96 4.83 0.00 -1.26 -5.02 105.19 108.33 3jx8 n GLY 30 Ca 0.21 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.49 4.43 0.23 1.61 0.01 -1.26 -5.05 114.94 112.41 3jx8 s ASN 31 Ca 0.00 -3.09 -0.30 0.00 -0.71 0.00 0.00 52.86 48.76 3jx8 s ASN 31 Cb 0.00 -1.65 -0.09 0.00 0.41 0.00 0.00 41.25 39.92 3jx8 s ASN 31 CO 0.00 -0.22 1.24 -2.16 -1.51 0.00 0.00 177.10 174.45 3jx8 s PRO 32 N -0.40 4.46 -0.02 -0.60 0.05 -1.26 -0.86 135.00 136.37 3jx8 s PRO 32 Ca 0.18 1.98 0.07 0.00 0.05 0.00 0.00 61.00 63.28 3jx8 s PRO 32 Cb -0.24 -3.19 -0.02 0.00 0.05 0.00 0.00 34.50 31.11 3jx8 s PRO 32 CO -0.02 -0.11 -0.22 -2.00 0.05 0.00 0.00 177.00 174.70 3jx8 s GLU 33 N -0.64 1.78 -0.20 4.56 2.12 -0.27 -4.81 118.70 121.24 3jx8 s GLU 33 Ca 0.52 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 55.02 3jx8 s GLU 33 Cb -0.35 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 3jx8 s GLU 33 CO 0.41 0.45 0.04 0.99 -0.54 0.00 0.00 175.26 176.61 3jx8 s THR 34 N -0.47 4.40 -0.12 -1.70 2.01 -1.26 -1.77 115.64 116.73 3jx8 s THR 34 Ca 0.07 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3jx8 s THR 34 Cb -0.09 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.43 3jx8 s THR 34 CO -0.01 0.42 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.99 3jx8 s ARG 35 N 0.83 2.99 -0.18 4.92 0.52 0.02 -4.99 118.95 123.05 3jx8 s ARG 35 Ca 0.02 -0.85 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 3jx8 s ARG 35 Cb -0.14 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3jx8 s ARG 35 CO 0.02 0.06 0.67 -1.21 0.02 0.00 0.00 175.30 174.86 3jx8 s GLU 36 N 0.64 4.25 -0.14 3.54 2.02 -1.26 -1.47 118.70 126.27 3jx8 s GLU 36 Ca -0.12 0.71 -0.01 0.00 0.02 0.00 0.00 54.97 55.57 3jx8 s GLU 36 Cb -0.16 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 3jx8 s GLU 36 CO 0.02 -0.22 -0.12 0.42 0.02 0.00 0.00 175.26 175.38 3jx8 s ILE 37 N 1.84 3.10 -0.03 -1.63 1.01 0.12 -5.00 121.20 120.61 3jx8 s ILE 37 Ca 0.31 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3jx8 s ILE 37 Cb -0.16 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3jx8 s ILE 37 CO 0.11 0.51 1.41 -0.75 0.00 0.00 0.00 174.94 176.22 3jx8 s LYS 38 N 0.51 4.26 0.02 2.79 2.20 -1.26 -3.86 119.74 124.41 3jx8 s LYS 38 Ca -0.08 1.94 -0.02 0.00 -0.36 0.00 0.00 55.97 57.46 3jx8 s LYS 38 Cb -0.16 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 3jx8 s LYS 38 CO 0.04 -0.63 0.00 0.96 -0.36 0.00 0.00 175.35 175.37 3jx8 s ILE 39 N 2.78 0.12 0.82 5.43 -4.36 -1.26 -4.86 121.20 119.87 3jx8 s ILE 39 Ca 0.64 -1.02 -0.10 0.00 -0.26 0.00 0.00 60.65 59.91 3jx8 s ILE 39 Cb -0.30 -0.51 0.14 0.00 1.25 0.00 0.00 42.46 43.04 3jx8 s ILE 39 CO 0.25 -0.56 1.15 -0.44 0.24 0.00 0.00 174.94 175.58 3jx8 s SER 40 N -1.70 3.98 0.68 4.36 0.01 -1.26 -4.77 113.70 114.99 3jx8 s SER 40 Ca -0.12 0.22 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 3jx8 s SER 40 Cb -0.07 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.64 3jx8 s SER 40 CO -0.02 -2.16 1.17 -0.62 0.41 0.00 0.00 173.24 172.02 3jx8 s ASP 41 N -4.73 4.72 0.03 2.44 2.15 -1.26 -4.92 116.67 115.10 3jx8 s ASP 41 Ca 0.67 2.22 -0.07 0.00 0.43 0.00 0.00 52.55 55.81 3jx8 s ASP 41 Cb -0.07 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3jx8 s ASP 41 CO 0.48 -1.90 0.13 -0.72 -0.17 0.00 0.00 175.17 172.99 3jx8 s TYR 42 N -2.06 0.12 -0.12 -5.34 -0.85 -1.26 -4.48 117.35 103.36 3jx8 s TYR 42 Ca 0.72 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 3jx8 s TYR 42 Cb -0.26 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.02 3jx8 s TYR 42 CO 0.41 -0.35 0.89 -0.40 -1.52 0.00 0.00 175.55 174.58 3jx8 n ASP 43 N 0.98 1.82 -3.76 -0.18 5.68 -0.43 -4.37 116.55 116.29 3jx8 n ASP 43 Ca -0.20 -1.72 -0.13 0.00 -0.50 0.00 0.00 54.79 52.23 3jx8 n ASP 43 Cb 0.58 -0.02 -0.09 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 -0.74 0.68 -0.07 0.11 2.12 -1.17 -0.84 118.70 118.79 3jx8 s GLU 44 Ca 0.02 -0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.16 3jx8 s GLU 44 Cb 0.01 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.72 3jx8 s GLU 44 CO 0.02 -0.19 -0.12 0.42 -0.54 0.00 0.00 175.26 174.85 3jx8 s ILE 45 N -1.41 1.14 -0.34 -3.70 1.01 -0.42 -0.71 121.20 116.79 3jx8 s ILE 45 Ca -0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 3jx8 s ILE 45 Cb -0.05 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.41 3jx8 s ILE 45 CO 0.04 0.36 0.10 -0.89 0.00 0.00 0.00 174.94 174.55 3jx8 s THR 46 N 0.70 3.81 -0.17 2.92 2.01 0.64 -0.26 115.64 125.29 3jx8 s THR 46 Ca -0.14 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.77 3jx8 s THR 46 Cb -0.16 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.23 3jx8 s THR 46 CO 0.03 -0.17 -0.19 0.12 -0.69 0.00 0.00 174.62 173.73 3jx8 s PHE 47 N 1.41 2.63 -0.10 4.92 5.36 0.21 -1.06 117.98 131.35 3jx8 s PHE 47 Ca -0.01 -1.53 0.03 0.00 -0.96 0.00 0.00 56.93 54.46 3jx8 s PHE 47 Cb -0.19 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3jx8 s PHE 47 CO 0.03 -0.77 -0.20 0.08 -1.46 0.00 0.00 175.22 172.90 3jx8 s VAL 48 N 1.31 1.80 -5.00 3.12 1.01 0.23 -1.07 120.40 121.79 3jx8 s VAL 48 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3jx8 s VAL 48 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3jx8 s VAL 48 CO -0.12 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3jx8 n GLY 49 N 3.75 0.97 1.25 4.51 0.00 -0.64 -4.26 105.19 110.77 3jx8 n GLY 49 Ca -0.20 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 3.00 3.78 -4.73 1.61 3.41 -1.26 -1.73 113.62 117.70 3jx8 n SER 50 Ca 0.00 -2.00 -0.32 0.00 -0.26 0.00 0.00 58.87 56.30 3jx8 n SER 50 Cb 0.00 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.05 2.01 -0.30 7.33 0.00 -1.26 -4.35 121.76 124.14 3jx8 s ALA 51 Ca 0.45 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 3jx8 s ALA 51 Cb 0.24 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 3jx8 s ALA 51 CO 0.31 -2.04 0.74 -0.51 0.00 0.00 0.00 175.76 174.26 3jx8 s ASP 52 N -2.86 6.61 -0.21 0.00 1.01 -0.67 -0.84 116.67 119.72 3jx8 s ASP 52 Ca 0.66 0.59 -0.01 0.00 0.71 0.00 0.00 52.55 54.50 3jx8 s ASP 52 Cb -0.21 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3jx8 s ASP 52 CO 0.53 -0.57 -0.11 0.12 0.21 0.00 0.00 175.17 175.35 3jx8 s PHE 53 N 2.84 2.92 -0.20 4.23 2.19 0.43 -0.78 117.98 129.62 3jx8 s PHE 53 Ca 0.30 -1.42 -0.08 0.00 0.33 0.00 0.00 56.93 56.06 3jx8 s PHE 53 Cb -0.14 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.51 3jx8 s PHE 53 CO 0.12 -0.71 0.09 -1.21 1.83 0.00 0.00 175.22 175.34 3jx8 s GLU 54 N 1.35 3.98 0.04 10.12 2.02 0.19 -0.90 118.70 135.50 3jx8 s GLU 54 Ca 0.04 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.74 3jx8 s GLU 54 Cb -0.14 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 3jx8 s GLU 54 CO -0.08 0.19 -0.13 -0.47 0.02 0.00 0.00 175.26 174.80 3jx8 s TYR 55 N 0.62 1.11 0.02 1.61 5.04 -0.58 -1.63 117.35 123.55 3jx8 s TYR 55 Ca 0.05 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.30 3jx8 s TYR 55 Cb -0.13 -0.66 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 3jx8 s TYR 55 CO 0.01 0.02 0.03 -1.21 -1.34 0.00 0.00 175.55 173.06 3jx8 s GLU 56 N -1.11 0.44 0.09 4.97 0.41 -1.04 -4.20 118.70 118.27 3jx8 s GLU 56 Ca 0.00 -0.67 -0.27 0.00 -0.41 0.00 0.00 54.97 53.63 3jx8 s GLU 56 Cb -0.08 0.17 -0.06 0.00 -1.78 0.00 0.00 34.13 32.38 3jx8 s GLU 56 CO 0.01 -0.09 0.83 -0.65 -0.49 0.00 0.00 175.26 174.87 3jx8 s GLN 57 N -1.97 4.58 0.00 1.61 -0.21 -1.26 -2.92 119.66 119.50 3jx8 s GLN 57 Ca -0.11 1.21 -0.18 0.00 0.02 0.00 0.00 55.36 56.30 3jx8 s GLN 57 Cb -0.06 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.64 3jx8 s GLN 57 CO -0.02 0.32 0.40 0.45 -2.12 0.00 0.00 175.29 174.32 3jx8 s SER 58 N -0.28 -0.29 0.00 5.90 0.15 -0.12 -4.93 113.70 114.12 3jx8 s SER 58 Ca 0.41 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.46 3jx8 s SER 58 Cb -0.22 0.39 0.96 0.00 -1.71 0.00 0.00 66.02 65.44 3jx8 s SER 58 CO 0.26 -0.56 1.69 0.47 1.20 0.00 0.00 173.24 176.30 3jx8 n ASP 59 N 0.92 1.56 -4.56 5.45 8.00 -1.26 -3.45 116.55 123.21 3jx8 n ASP 59 Ca -0.20 -1.56 -0.29 0.00 0.71 0.00 0.00 54.79 53.45 3jx8 n ASP 59 Cb 0.58 -0.03 0.15 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.94 1.01 0.34 -1.24 1.02 -1.26 -4.98 119.74 112.69 3jx8 s LYS 60 Ca 0.36 0.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.12 3jx8 s LYS 60 Cb 0.20 -1.85 -0.13 0.00 -0.52 0.00 0.00 37.83 35.53 3jx8 s LYS 60 CO 0.31 -2.23 1.02 0.00 -0.92 0.00 0.00 175.35 173.53 3jx8 n ALA 61 N -3.74 -0.02 -1.67 5.17 0.00 -1.26 -4.81 120.51 114.18 3jx8 n ALA 61 Ca 0.10 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 3jx8 n ALA 61 Cb 0.60 -2.05 0.07 0.00 0.00 0.00 0.00 19.45 18.07 3jx8 n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jx8 s PRO 62 N -1.71 2.49 -0.12 0.00 0.04 -1.26 -4.91 135.00 129.53 3jx8 s PRO 62 Ca 0.60 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 3jx8 s PRO 62 Cb -0.64 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.08 3jx8 s PRO 62 CO 0.59 -1.63 0.31 -0.47 0.04 0.00 0.00 177.00 175.84 3jx8 s TYR 63 N -1.48 -0.35 -0.02 0.56 5.04 -1.05 -4.78 117.35 115.26 3jx8 s TYR 63 Ca 0.81 0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3jx8 s TYR 63 Cb -0.36 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.09 3jx8 s TYR 63 CO 0.40 -0.17 0.04 -1.17 -1.34 0.00 0.00 175.55 173.31 3jx8 s LEU 64 N 0.26 1.11 -0.03 6.97 2.96 -1.25 -1.80 118.68 126.89 3jx8 s LEU 64 Ca -0.01 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3jx8 s LEU 64 Cb -0.03 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.65 3jx8 s LEU 64 CO -0.00 -0.12 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.25 3jx8 s SER 65 N 1.00 1.39 -0.07 3.68 0.15 0.08 -0.70 113.70 119.22 3jx8 s SER 65 Ca -0.08 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.37 3jx8 s SER 65 Cb -0.12 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.78 3jx8 s SER 65 CO -0.03 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.66 3jx8 s VAL 66 N 0.27 1.22 -0.18 4.45 1.01 -0.54 -1.12 120.40 125.51 3jx8 s VAL 66 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3jx8 s VAL 66 Cb -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3jx8 s VAL 66 CO 0.01 0.37 -0.17 -0.89 0.00 0.00 0.00 175.10 174.43 3jx8 s THR 67 N 0.70 2.38 0.17 3.92 2.01 0.34 -0.80 115.64 124.37 3jx8 s THR 67 Ca -0.14 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 3jx8 s THR 67 Cb -0.16 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.38 3jx8 s THR 67 CO 0.03 0.52 0.53 -0.51 -0.69 0.00 0.00 174.62 174.51 3jx8 s ILE 68 N 1.17 0.03 0.13 1.82 2.07 -0.73 -1.22 121.20 124.46 3jx8 s ILE 68 Ca 0.02 -0.48 -0.35 0.00 -1.41 0.00 0.00 60.65 58.43 3jx8 s ILE 68 Cb -0.14 -1.31 -0.17 0.00 0.13 0.00 0.00 42.46 40.97 3jx8 s ILE 68 CO -0.08 -0.12 1.18 0.47 -1.91 0.00 0.00 174.94 174.49 3jx8 n ASP 69 N -0.33 1.17 -0.26 4.50 9.92 -1.24 -1.11 116.55 129.20 3jx8 n ASP 69 Ca -0.13 1.14 0.15 0.00 -0.53 0.00 0.00 54.79 55.41 3jx8 n ASP 69 Cb 0.63 -1.16 0.44 0.00 -0.64 0.00 0.00 41.12 40.39 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 3.60 0.54 0.00 -1.24 4.11 -1.31 -0.38 114.58 119.89 3jx8 h GLU 70 Ca -0.45 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 3jx8 h GLU 70 Cb 1.35 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3jx8 h GLU 70 CO 0.71 0.36 -0.11 -2.95 0.07 0.00 0.00 179.01 177.09 3jx8 h ASN 71 N 0.56 0.00 1.33 3.06 -1.07 -1.86 -3.18 115.58 114.42 3jx8 h ASN 71 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.83 3jx8 h ASN 71 Cb 0.92 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.17 3jx8 h ASN 71 CO -0.20 0.11 -0.07 0.18 0.07 0.00 0.00 177.43 177.52 3jx8 n LEU 72 N -3.24 0.68 -0.02 6.14 4.77 -0.15 -3.68 117.00 121.50 3jx8 n LEU 72 Ca 0.00 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.56 3jx8 n LEU 72 Cb 0.37 -0.33 0.43 0.00 -2.33 0.00 0.00 43.42 41.56 3jx8 n LEU 72 CO 0.30 -0.14 1.17 -0.26 -1.33 0.00 0.00 177.39 177.14 3jx8 h PHE 73 N 0.00 0.52 0.00 -1.77 0.04 -1.65 -0.54 116.94 113.54 3jx8 h PHE 73 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3jx8 h PHE 73 Cb 0.70 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.68 3jx8 h PHE 73 CO 0.00 0.31 0.00 -0.44 -0.60 0.00 0.00 178.31 177.58 3jx8 h ASP 74 N 0.55 0.00 -0.46 2.17 3.32 -1.81 -2.62 116.42 117.57 3jx8 h ASP 74 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3jx8 h ASP 74 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3jx8 h ASP 74 CO -0.04 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.26 3jx8 n TYR 75 N -2.71 0.77 -4.84 4.55 4.02 -0.21 -4.98 117.16 113.76 3jx8 n TYR 75 Ca -0.00 -0.56 -0.26 0.00 -0.01 0.00 0.00 57.90 57.07 3jx8 n TYR 75 Cb 0.17 -0.08 -0.16 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.32 1.90 -0.09 7.72 2.96 -0.99 -0.72 118.68 128.14 3jx8 s LEU 76 Ca 0.35 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 3jx8 s LEU 76 Cb 0.20 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 3jx8 s LEU 76 CO 0.20 0.14 0.48 -0.69 -1.32 0.00 0.00 176.35 175.16 3jx8 s VAL 77 N 0.11 5.14 -0.30 1.68 1.01 0.25 -4.82 120.40 123.47 3jx8 s VAL 77 Ca -0.06 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 3jx8 s VAL 77 Cb -0.12 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.57 3jx8 s VAL 77 CO 0.03 0.36 0.23 0.42 0.00 0.00 0.00 175.10 176.15 3jx8 s THR 78 N 0.35 -0.25 0.19 3.92 -4.23 -1.24 -1.93 115.64 112.45 3jx8 s THR 78 Ca 0.26 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 59.85 3jx8 s THR 78 Cb -0.16 -0.97 0.05 0.00 1.34 0.00 0.00 72.50 72.76 3jx8 s THR 78 CO 0.11 -0.60 0.79 -1.83 -0.54 0.00 0.00 174.62 172.55 3jx8 s GLU 79 N 2.14 1.41 -0.18 3.99 -1.05 -0.63 -5.02 118.70 119.36 3jx8 s GLU 79 Ca 0.10 -0.72 -0.03 0.00 -0.15 0.00 0.00 54.97 54.17 3jx8 s GLU 79 Cb -0.15 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3jx8 s GLU 79 CO -0.31 -0.64 -0.07 0.08 0.95 0.00 0.00 175.26 175.27 3jx8 s VAL 80 N -3.61 3.35 -0.07 1.83 1.01 -1.26 0.07 120.40 121.72 3jx8 s VAL 80 Ca 0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3jx8 s VAL 80 Cb -0.03 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3jx8 s VAL 80 CO 0.00 0.47 0.16 -0.70 0.00 0.00 0.00 175.10 175.03 3jx8 s GLU 81 N 0.96 0.09 -1.40 2.72 2.12 -0.28 -4.84 118.70 118.08 3jx8 s GLU 81 Ca -0.01 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.65 3jx8 s GLU 81 Cb -0.15 -0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.09 3jx8 s GLU 81 CO 0.00 -0.19 1.10 0.41 -0.54 0.00 0.00 175.26 176.05 3jx8 n GLY 82 N 4.39 -0.51 2.54 -1.50 0.00 -1.26 -1.71 105.19 107.14 3jx8 n GLY 82 Ca -0.23 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.85 1.23 3.03 -0.02 0.00 -1.26 -4.97 105.19 101.33 3jx8 n GLY 83 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 1.61 -0.07 2.61 2.01 -0.69 -1.32 115.64 116.94 3jx8 s THR 84 Ca 0.00 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3jx8 s THR 84 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3jx8 s THR 84 CO 0.00 0.45 1.29 -0.22 -0.69 0.00 0.00 174.62 175.45 3jx8 s LEU 85 N 1.47 4.26 -0.16 4.42 2.96 0.12 -1.13 118.68 130.63 3jx8 s LEU 85 Ca 0.05 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3jx8 s LEU 85 Cb -0.13 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.02 3jx8 s LEU 85 CO -0.11 -0.68 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.50 3jx8 s LYS 86 N 2.70 2.88 -0.15 1.98 1.02 0.11 -0.26 119.74 128.01 3jx8 s LYS 86 Ca 0.59 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 3jx8 s LYS 86 Cb -0.26 -2.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.67 3jx8 s LYS 86 CO 0.22 -0.13 0.03 0.42 -0.92 0.00 0.00 175.35 174.97 3jx8 s ILE 87 N 1.10 0.38 -0.05 2.17 1.01 -0.22 -1.60 121.20 123.99 3jx8 s ILE 87 Ca -0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 3jx8 s ILE 87 Cb -0.14 -0.81 0.11 0.00 0.01 0.00 0.00 42.46 41.63 3jx8 s ILE 87 CO -0.08 -0.08 0.89 -0.72 0.00 0.00 0.00 174.94 174.95 3jx8 s TYR 88 N 1.94 -0.39 0.35 3.97 -0.85 -0.81 -0.61 117.35 120.96 3jx8 s TYR 88 Ca 0.01 0.41 -0.28 0.00 -0.52 0.00 0.00 57.07 56.70 3jx8 s TYR 88 Cb -0.15 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 42.59 3jx8 s TYR 88 CO -0.07 -0.51 1.29 -2.14 -1.52 0.00 0.00 175.55 172.60 3jx8 s PRO 89 N -2.42 4.25 0.69 -3.49 0.02 -1.26 -0.59 135.00 132.20 3jx8 s PRO 89 Ca 0.02 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 3jx8 s PRO 89 Cb -0.01 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3jx8 s PRO 89 CO -0.05 -0.25 1.11 1.63 -0.33 0.00 0.00 177.00 179.11 3jx8 n LYS 90 N 0.60 0.75 -1.73 5.54 5.02 0.10 -4.70 118.16 123.74 3jx8 n LYS 90 Ca 0.01 0.31 -0.38 0.00 -2.02 0.00 0.00 58.31 56.23 3jx8 n LYS 90 Cb 0.43 -2.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.14 3jx8 n LYS 90 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3jx8 n SER 91 N -1.79 2.41 -4.72 4.39 7.64 -1.26 -1.93 113.62 118.36 3jx8 n SER 91 Ca 0.14 0.93 -0.42 0.00 1.01 0.00 0.00 58.87 60.54 3jx8 n SER 91 Cb 0.49 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 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 -1.32 2.75 -0.08 0.44 1.01 -0.32 -4.76 121.20 118.92 3jx8 s ILE 92 Ca 0.74 0.54 -0.35 0.00 0.00 0.00 0.00 60.65 61.59 3jx8 s ILE 92 Cb -0.41 -3.35 -0.12 0.00 0.01 0.00 0.00 42.46 38.59 3jx8 s ILE 92 CO 0.47 0.04 1.83 1.17 0.00 0.00 0.00 174.94 178.45 3jx8 n LYS 93 N 3.87 2.05 -1.70 2.79 4.81 -1.26 -0.84 118.16 127.87 3jx8 n LYS 93 Ca 0.13 0.75 -0.15 0.00 -0.87 0.00 0.00 58.31 58.17 3jx8 n LYS 93 Cb 0.39 -2.57 -0.05 0.00 0.02 0.00 0.00 35.03 32.83 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 6.10 -1.08 -0.38 1.64 4.76 -1.26 -4.88 118.16 123.06 3jx8 n LYS 94 Ca 0.22 0.93 0.09 0.00 -2.87 0.00 0.00 58.31 56.69 3jx8 n LYS 94 Cb 0.27 -5.12 0.28 0.00 -1.84 0.00 0.00 35.03 28.62 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 -1.11 2.72 2.31 0.72 0.00 -0.02 -4.98 105.19 104.84 3jx8 n GLY 95 Ca -0.16 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 1.09 -0.71 -1.57 1.61 3.72 -1.26 -1.43 117.46 118.92 3jx8 n PHE 96 Ca 0.21 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.41 3jx8 n PHE 96 Cb 0.64 -3.23 -0.08 0.00 -0.94 0.00 0.00 39.48 35.86 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 -1.00 -5.41 0.15 4.37 3.02 -1.26 -4.88 115.26 110.24 3jx8 n ASN 97 Ca -0.19 0.49 0.13 0.00 -0.03 0.00 0.00 54.58 54.98 3jx8 n ASN 97 Cb 0.64 -4.72 0.45 0.00 -0.61 0.00 0.00 39.78 35.53 3jx8 n ASN 97 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3jx8 h ASN 98 N 0.00 0.00 -5.21 6.41 2.35 -1.61 -3.47 115.58 114.05 3jx8 h ASN 98 Ca -0.40 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.50 3jx8 h ASN 98 Cb 1.32 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.61 3jx8 h ASN 98 CO 0.59 0.00 0.45 0.54 -1.65 0.00 0.00 177.43 177.36 3jx8 s ASN 99 N -4.75 -0.22 0.17 5.81 2.20 -1.26 -5.11 114.94 111.79 3jx8 s ASN 99 Ca 0.07 -0.37 0.02 0.00 -0.94 0.00 0.00 52.86 51.64 3jx8 s ASN 99 Cb 0.10 0.51 -0.05 0.00 -2.00 0.00 0.00 41.25 39.81 3jx8 s ASN 99 CO 0.52 -0.92 -0.01 -0.94 -2.94 0.00 0.00 177.10 172.81 3jx8 s SER 100 N -2.89 1.29 0.46 3.54 1.04 -1.26 -1.17 113.70 114.72 3jx8 s SER 100 Ca 0.11 -1.15 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 3jx8 s SER 100 Cb -0.02 0.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.13 3jx8 s SER 100 CO 0.01 -0.54 1.30 -0.31 0.98 0.00 0.00 173.24 174.68 3jx8 s TYR 101 N -3.61 2.63 -0.63 5.02 2.02 -0.81 -4.76 117.35 117.21 3jx8 s TYR 101 Ca 0.23 1.41 -0.17 0.00 -0.37 0.00 0.00 57.07 58.17 3jx8 s TYR 101 Cb 0.06 -3.67 0.14 0.00 -0.40 0.00 0.00 41.96 38.08 3jx8 s TYR 101 CO 0.03 -2.29 0.66 0.34 -1.57 0.00 0.00 175.55 172.73 3jx8 s ASP 102 N -0.92 6.31 -0.05 2.29 2.15 0.17 -4.85 116.67 121.77 3jx8 s ASP 102 Ca 0.63 -1.83 -0.20 0.00 0.43 0.00 0.00 52.55 51.58 3jx8 s ASP 102 Cb -0.37 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 3jx8 s ASP 102 CO 0.46 -0.92 0.56 -0.76 -0.17 0.00 0.00 175.17 174.34 3jx8 s LEU 103 N 1.82 4.36 -0.72 -1.34 1.43 -1.26 -0.52 118.68 122.45 3jx8 s LEU 103 Ca 0.11 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 3jx8 s LEU 103 Cb -0.23 -2.85 0.17 0.00 0.03 0.00 0.00 46.19 43.32 3jx8 s LEU 103 CO 0.01 0.06 0.51 -0.13 0.23 0.00 0.00 176.35 177.04 3jx8 s ARG 104 N 0.13 2.54 0.62 1.70 1.81 0.35 -4.94 118.95 121.16 3jx8 s ARG 104 Ca 0.30 -3.29 -0.14 0.00 -1.72 0.00 0.00 55.73 50.87 3jx8 s ARG 104 Cb -0.17 -3.49 -0.02 0.00 -0.45 0.00 0.00 34.95 30.82 3jx8 s ARG 104 CO 0.15 -1.27 1.06 -1.25 -0.68 0.00 0.00 175.30 173.31 3jx8 s PRO 105 N -1.36 3.21 0.19 3.54 0.04 -1.26 -0.99 135.00 138.36 3jx8 s PRO 105 Ca 0.25 1.14 0.20 0.00 0.04 0.00 0.00 61.00 62.63 3jx8 s PRO 105 Cb -0.06 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3jx8 s PRO 105 CO -0.15 -0.89 1.05 1.79 0.04 0.00 0.00 177.00 178.84 3jx8 h THR 106 N 0.14 0.21 -3.00 1.26 1.35 -1.97 -3.46 112.91 107.44 3jx8 h THR 106 Ca -0.46 -1.38 -0.15 0.00 -0.55 0.00 0.00 66.41 63.86 3jx8 h THR 106 Cb 1.22 1.77 -0.25 0.00 -1.73 0.00 0.00 68.15 69.15 3jx8 h THR 106 CO 0.57 0.12 -0.37 -0.69 -0.25 0.00 0.00 175.52 174.90 3jx8 s VAL 107 N -3.19 -0.00 -0.28 6.82 1.01 -1.26 -5.06 120.40 118.43 3jx8 s VAL 107 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3jx8 s VAL 107 Cb 0.09 -0.43 0.18 0.00 0.00 0.00 0.00 36.38 36.22 3jx8 s VAL 107 CO 0.78 0.01 0.53 -0.47 0.00 0.00 0.00 175.10 175.95 3jx8 s TYR 108 N 0.29 -1.41 0.01 5.22 5.04 -1.25 -3.62 117.35 121.62 3jx8 s TYR 108 Ca -0.01 1.27 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 3jx8 s TYR 108 Cb -0.03 0.33 -0.01 0.00 0.35 0.00 0.00 41.96 42.60 3jx8 s TYR 108 CO -0.01 -0.89 -0.10 0.15 -1.34 0.00 0.00 175.55 173.37 3jx8 s LYS 109 N 2.75 0.75 -0.02 4.97 1.02 -0.36 -1.66 119.74 127.19 3jx8 s LYS 109 Ca 0.16 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.72 3jx8 s LYS 109 Cb -0.14 -0.71 -0.00 0.00 -0.52 0.00 0.00 37.83 36.46 3jx8 s LYS 109 CO -0.22 0.19 -0.09 0.42 -0.92 0.00 0.00 175.35 174.73 3jx8 s ILE 110 N -0.46 0.80 -0.07 2.17 1.01 0.04 -0.50 121.20 124.18 3jx8 s ILE 110 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3jx8 s ILE 110 Cb -0.05 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.74 3jx8 s ILE 110 CO 0.00 0.24 -0.11 -0.75 0.00 0.00 0.00 174.94 174.32 3jx8 s LYS 111 N 0.07 1.67 0.09 2.79 2.20 -0.28 -0.64 119.74 125.64 3jx8 s LYS 111 Ca -0.01 -0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 55.04 3jx8 s LYS 111 Cb -0.07 -1.43 0.04 0.00 -1.51 0.00 0.00 37.83 34.85 3jx8 s LYS 111 CO 0.00 -0.02 0.41 0.45 -0.36 0.00 0.00 175.35 175.83 3jx8 s SER 112 N 0.83 -0.26 0.03 1.43 0.15 -0.64 -0.74 113.70 114.49 3jx8 s SER 112 Ca -0.12 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 3jx8 s SER 112 Cb -0.15 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 3jx8 s SER 112 CO 0.02 -0.77 0.18 0.54 1.20 0.00 0.00 173.24 174.41 3jx8 s ASN 113 N -2.44 0.03 0.33 5.45 4.22 -0.74 -2.50 114.94 119.30 3jx8 s ASN 113 Ca -0.01 -0.32 0.04 0.00 -2.14 0.00 0.00 52.86 50.44 3jx8 s ASN 113 Cb 0.01 0.26 -0.02 0.00 1.28 0.00 0.00 41.25 42.78 3jx8 s ASN 113 CO -0.08 -0.50 0.35 -1.54 -2.04 0.00 0.00 177.10 173.30 3jx8 n SER 114 N 0.92 -0.93 -0.09 3.54 3.41 -1.15 -2.54 113.62 116.78 3jx8 n SER 114 Ca -0.20 -3.06 -0.07 0.00 -0.26 0.00 0.00 58.87 55.28 3jx8 n SER 114 Cb 0.58 1.96 0.10 0.00 -0.26 0.00 0.00 64.21 66.59 3jx8 n SER 114 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3jx8 h LYS 115 N 0.00 0.77 -2.40 4.33 1.79 -1.76 -0.30 116.57 119.00 3jx8 h LYS 115 Ca -0.24 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 57.85 3jx8 h LYS 115 Cb 1.18 -0.04 -0.22 0.00 -1.58 0.00 0.00 32.23 31.57 3jx8 h LYS 115 CO 0.35 0.91 -0.06 -2.00 -1.08 0.00 0.00 179.45 177.57 3jx8 s GLU 116 N -4.65 0.68 -0.36 3.15 2.12 -1.26 -4.17 118.70 114.20 3jx8 s GLU 116 Ca -0.09 0.68 -0.02 0.00 0.36 0.00 0.00 54.97 55.90 3jx8 s GLU 116 Cb 0.13 0.33 0.09 0.00 0.26 0.00 0.00 34.13 34.94 3jx8 s GLU 116 CO 0.83 -0.10 0.12 -1.17 -0.54 0.00 0.00 175.26 174.40 3jx8 s LEU 117 N 0.09 4.74 -0.05 2.70 2.96 -1.26 -4.10 118.68 123.75 3jx8 s LEU 117 Ca -0.02 -1.78 -0.02 0.00 -0.22 0.00 0.00 54.13 52.09 3jx8 s LEU 117 Cb -0.04 -1.77 -0.26 0.00 0.50 0.00 0.00 46.19 44.62 3jx8 s LEU 117 CO 0.02 -0.43 0.64 0.11 -1.32 0.00 0.00 176.35 175.37 3jx8 h LYS 118 N 7.98 0.22 -2.83 1.98 1.57 -1.22 -3.43 116.57 120.83 3jx8 h LYS 118 Ca -0.15 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.11 3jx8 h LYS 118 Cb 1.05 0.14 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 3jx8 h LYS 118 CO 0.62 1.04 -0.39 -2.00 -0.57 0.00 0.00 179.45 178.15 3jx8 s GLU 119 N -2.59 0.30 -0.14 3.15 2.12 -1.09 -0.51 118.70 119.93 3jx8 s GLU 119 Ca -0.13 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.86 3jx8 s GLU 119 Cb 0.07 -0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 3jx8 s GLU 119 CO 0.82 -0.16 -0.15 -1.17 -0.54 0.00 0.00 175.26 174.07 3jx8 s LEU 120 N 1.31 2.57 -0.23 2.70 2.96 0.27 -1.30 118.68 126.95 3jx8 s LEU 120 Ca -0.09 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3jx8 s LEU 120 Cb -0.09 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.07 3jx8 s LEU 120 CO -0.10 0.13 -0.14 0.20 -1.32 0.00 0.00 176.35 175.12 3jx8 s ASN 121 N 0.57 4.02 -0.04 3.68 0.01 0.64 -0.14 114.94 123.69 3jx8 s ASN 121 Ca -0.09 -1.16 0.04 0.00 -0.71 0.00 0.00 52.86 50.94 3jx8 s ASN 121 Cb -0.16 -1.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.98 3jx8 s ASN 121 CO 0.03 -0.13 -0.15 0.28 -1.51 0.00 0.00 177.10 175.62 3jx8 s THR 122 N 1.17 1.26 -0.04 1.60 -1.32 0.22 -0.62 115.64 117.91 3jx8 s THR 122 Ca -0.05 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 59.81 3jx8 s THR 122 Cb -0.18 -1.09 0.03 0.00 -1.51 0.00 0.00 72.50 69.75 3jx8 s THR 122 CO -0.07 0.37 0.01 -0.69 -2.21 0.00 0.00 174.62 172.03 3jx8 s VAL 123 N 0.05 0.13 -3.05 5.08 1.01 -0.24 -1.41 120.40 121.97 3jx8 s VAL 123 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3jx8 s VAL 123 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3jx8 s VAL 123 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3jx8 n GLY 124 N 4.47 0.68 0.86 4.51 0.00 -0.50 -1.61 105.19 113.61 3jx8 n GLY 124 Ca -0.20 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 3.24 -3.47 1.61 3.41 -1.23 -1.08 113.62 116.09 3jx8 n SER 125 Ca 0.00 -1.99 -0.23 0.00 -0.26 0.00 0.00 58.87 56.39 3jx8 n SER 125 Cb 0.00 -0.31 0.16 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.88 -1.43 2.97 5.00 0.00 -0.71 -4.33 105.19 107.59 3jx8 n GLY 126 Ca 0.16 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.78 2.32 -0.21 1.61 0.15 -0.02 -1.22 113.70 111.55 3jx8 s SER 127 Ca 0.58 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 3jx8 s SER 127 Cb -0.02 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 3jx8 s SER 127 CO 0.41 -0.07 -0.09 0.12 1.20 0.00 0.00 173.24 174.81 3jx8 s PHE 128 N 1.43 2.90 -0.09 3.44 2.19 0.20 -0.43 117.98 127.63 3jx8 s PHE 128 Ca 0.01 -1.17 0.02 0.00 0.33 0.00 0.00 56.93 56.13 3jx8 s PHE 128 Cb -0.13 -2.04 0.01 0.00 -1.31 0.00 0.00 43.02 39.54 3jx8 s PHE 128 CO -0.07 -0.63 -0.16 0.42 1.83 0.00 0.00 175.22 176.61 3jx8 s ILE 129 N 1.42 1.48 -0.19 3.12 1.01 -0.08 -0.48 121.20 127.47 3jx8 s ILE 129 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3jx8 s ILE 129 Cb -0.14 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3jx8 s ILE 129 CO -0.06 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.62 3jx8 s ILE 130 N 0.70 3.44 -0.08 2.92 1.01 -0.37 -1.53 121.20 127.30 3jx8 s ILE 130 Ca -0.13 -0.49 0.12 0.00 0.00 0.00 0.00 60.65 60.15 3jx8 s ILE 130 Cb -0.16 -2.53 -0.18 0.00 0.01 0.00 0.00 42.46 39.60 3jx8 s ILE 130 CO 0.03 0.46 0.16 -1.20 0.00 0.00 0.00 174.94 174.39 3jx8 n SER 131 N 4.25 1.90 -4.95 3.58 7.64 -1.26 -0.65 113.62 124.14 3jx8 n SER 131 Ca -0.18 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.47 3jx8 n SER 131 Cb 0.52 1.17 0.02 0.00 -1.01 0.00 0.00 64.21 64.91 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 -2.59 2.94 0.29 1.43 1.02 -1.26 -3.28 119.74 118.29 3jx8 s LYS 132 Ca -0.06 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3jx8 s LYS 132 Cb 0.06 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 3jx8 s LYS 132 CO 0.54 -0.45 1.56 -2.14 -0.92 0.00 0.00 175.35 173.93 3jx8 s PRO 133 N -4.70 4.15 -0.12 -1.68 0.02 -1.26 -4.30 135.00 127.11 3jx8 s PRO 133 Ca 0.51 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 64.04 3jx8 s PRO 133 Cb -0.10 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.43 3jx8 s PRO 133 CO 0.40 -0.59 0.02 0.99 -0.33 0.00 0.00 177.00 177.49 3jx8 s THR 134 N -0.11 0.38 -0.18 0.99 2.01 0.23 -4.94 115.64 114.02 3jx8 s THR 134 Ca 0.62 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 3jx8 s THR 134 Cb -0.47 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3jx8 s THR 134 CO 0.49 0.06 0.57 -0.75 -0.69 0.00 0.00 174.62 174.30 3jx8 s LYS 135 N 1.95 4.24 0.06 4.92 2.20 -1.26 -1.41 119.74 130.43 3jx8 s LYS 135 Ca 0.03 0.53 0.09 0.00 -0.36 0.00 0.00 55.97 56.26 3jx8 s LYS 135 Cb -0.14 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 3jx8 s LYS 135 CO -0.06 -0.13 -0.26 0.14 -0.36 0.00 0.00 175.35 174.68 3jx8 s VAL 136 N 1.55 2.22 0.00 4.02 -7.23 -0.04 -4.95 120.40 115.96 3jx8 s VAL 136 Ca 0.27 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3jx8 s VAL 136 Cb -0.16 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.90 3jx8 s VAL 136 CO 0.11 0.33 0.00 -3.20 -0.31 0.00 0.00 175.10 172.03 3jx8 n ASN 137 N 1.65 0.00 -4.47 4.85 5.15 -1.26 -2.70 115.26 118.48 3jx8 n ASN 137 Ca -0.17 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.54 3jx8 n ASN 137 Cb 0.52 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.68 3jx8 n ASN 137 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3jx8 s ARG 138 N 0.00 1.94 -0.30 1.20 3.52 -1.26 -1.23 118.95 122.82 3jx8 s ARG 138 Ca 0.00 -2.17 -0.16 0.00 -0.13 0.00 0.00 55.73 53.27 3jx8 s ARG 138 Cb 0.00 -1.12 0.20 0.00 -1.56 0.00 0.00 34.95 32.47 3jx8 s ARG 138 CO 0.00 -0.30 1.21 -2.00 -0.81 0.00 0.00 175.30 173.41 3jx8 s GLU 140 N -3.80 0.10 -0.20 5.12 2.12 0.33 -4.50 118.70 117.87 3jx8 s GLU 140 Ca 0.24 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 3jx8 s GLU 140 Cb 0.05 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.47 3jx8 s GLU 140 CO 0.12 -0.02 -0.13 0.42 -0.54 0.00 0.00 175.26 175.11 3jx8 s ILE 141 N 1.10 2.63 0.38 -3.70 1.01 0.12 -0.57 121.20 122.18 3jx8 s ILE 141 Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3jx8 s ILE 141 Cb -0.02 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 3jx8 s ILE 141 CO -0.11 0.49 -0.04 0.20 0.00 0.00 0.00 174.94 175.49 3jx8 s ASN 142 N 1.34 3.82 -0.29 3.58 0.01 0.80 -0.49 114.94 123.72 3jx8 s ASN 142 Ca 0.05 -1.30 -0.21 0.00 -0.71 0.00 0.00 52.86 50.69 3jx8 s ASN 142 Cb -0.14 -0.38 0.14 0.00 0.41 0.00 0.00 41.25 41.28 3jx8 s ASN 142 CO -0.08 -0.34 1.03 0.00 -1.51 0.00 0.00 177.10 176.20 3jx8 s ALA 144 N -2.67 -2.12 0.00 0.60 0.00 -0.50 -0.61 121.76 116.47 3jx8 s ALA 144 Ca 0.34 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.31 3jx8 s ALA 144 Cb 0.07 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3jx8 s ALA 144 CO 0.17 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3jx8 n GLY 145 N 2.84 -0.25 0.26 0.00 0.00 -0.41 -1.41 105.19 106.22 3jx8 n GLY 145 Ca -0.15 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 1.46 -3.18 1.61 3.41 -1.03 -1.22 113.62 114.66 3jx8 n SER 146 Ca 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 3jx8 n SER 146 Cb 0.00 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 1.38 -0.89 3.16 5.00 0.00 -0.24 -4.18 105.19 109.41 3jx8 n GLY 147 Ca 0.06 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.18 0.01 -0.10 1.61 2.20 -0.36 -1.55 114.94 115.56 3jx8 s ASN 148 Ca 0.00 -0.25 0.02 0.00 -0.94 0.00 0.00 52.86 51.70 3jx8 s ASN 148 Cb 0.00 0.25 0.01 0.00 -2.00 0.00 0.00 41.25 39.51 3jx8 s ASN 148 CO 0.00 -0.46 -0.18 -0.69 -2.94 0.00 0.00 177.10 172.83 3jx8 s VAL 149 N -1.91 1.66 -0.13 3.54 1.01 -0.78 -0.63 120.40 123.16 3jx8 s VAL 149 Ca -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3jx8 s VAL 149 Cb -0.04 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3jx8 s VAL 149 CO -0.00 0.47 -0.12 -1.61 0.00 0.00 0.00 175.10 173.84 3jx8 s GLU 150 N 0.76 1.98 -0.87 2.72 2.02 0.37 -0.98 118.70 124.70 3jx8 s GLU 150 Ca -0.11 -0.44 -0.14 0.00 0.02 0.00 0.00 54.97 54.30 3jx8 s GLU 150 Cb -0.16 -1.87 0.21 0.00 0.10 0.00 0.00 34.13 32.41 3jx8 s GLU 150 CO 0.02 -0.22 0.86 -0.51 0.02 0.00 0.00 175.26 175.43 3jx8 s LEU 151 N 1.49 6.43 0.02 1.80 1.43 0.41 -1.24 118.68 129.02 3jx8 s LEU 151 Ca 0.03 -2.65 -0.04 0.00 -1.03 0.00 0.00 54.13 50.44 3jx8 s LEU 151 Cb -0.13 -2.24 -0.28 0.00 0.03 0.00 0.00 46.19 43.56 3jx8 s LEU 151 CO -0.08 -0.64 0.92 0.03 0.23 0.00 0.00 176.35 176.81 3jx8 h ARG 152 N 7.87 0.27 -7.34 1.70 3.08 -1.15 -0.48 114.38 118.33 3jx8 h ARG 152 Ca 0.13 -0.46 -0.51 0.00 0.07 0.00 0.00 59.98 59.21 3jx8 h ARG 152 Cb 1.02 0.17 0.12 0.00 0.08 0.00 0.00 29.97 31.36 3jx8 h ARG 152 CO 0.84 1.15 0.33 0.20 -1.07 0.00 0.00 179.97 181.42 3jx8 s GLY 153 N -4.88 1.66 0.03 0.04 0.00 -1.04 -4.54 107.32 98.60 3jx8 s GLY 153 Ca -0.08 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 3jx8 s GLY 153 CO 0.86 0.46 1.72 2.56 0.00 0.00 0.00 173.10 178.71 3jx8 s PRO 154 N -4.99 4.18 -0.19 2.90 0.04 -1.26 -4.41 135.00 131.28 3jx8 s PRO 154 Ca 0.60 2.36 -0.07 0.00 0.04 0.00 0.00 61.00 63.94 3jx8 s PRO 154 Cb -0.16 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 3jx8 s PRO 154 CO 0.56 -0.81 0.04 0.08 0.04 0.00 0.00 177.00 176.90 3jx8 s VAL 155 N 3.39 4.53 -0.01 -0.36 1.01 0.13 -0.60 120.40 128.48 3jx8 s VAL 155 Ca 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3jx8 s VAL 155 Cb -0.39 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3jx8 s VAL 155 CO 0.33 0.45 -0.00 -0.75 0.00 0.00 0.00 175.10 175.13 3jx8 s LYS 156 N 0.53 0.15 0.00 2.72 2.20 -0.50 -0.31 119.74 124.53 3jx8 s LYS 156 Ca 0.02 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 3jx8 s LYS 156 Cb -0.13 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.93 3jx8 s LYS 156 CO 0.01 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3jx8 n GLY 157 N 3.60 0.02 0.07 5.54 0.00 -0.83 -0.86 105.19 112.72 3jx8 n GLY 157 Ca -0.20 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.19 1.61 3.20 -1.47 -2.37 116.97 114.75 3jx8 h TYR 158 Ca 0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 3jx8 h TYR 158 Cb 0.00 0.00 -0.29 0.00 1.54 0.00 0.00 36.73 37.98 3jx8 h TYR 158 CO 0.00 0.45 -0.53 0.21 -1.64 0.00 0.00 178.16 176.65 3jx8 s LYS 159 N -2.02 0.17 -0.05 1.82 2.20 -0.37 -0.69 119.74 120.80 3jx8 s LYS 159 Ca -0.13 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.93 3jx8 s LYS 159 Cb 0.01 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 3jx8 s LYS 159 CO 0.30 -0.12 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.77 3jx8 s LEU 160 N 0.85 2.03 -0.11 5.43 2.96 -0.70 -4.16 118.68 124.98 3jx8 s LEU 160 Ca -0.06 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3jx8 s LEU 160 Cb -0.08 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.36 3jx8 s LEU 160 CO -0.05 0.23 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.35 3jx8 s GLU 161 N -0.15 2.25 -0.28 1.98 2.12 -1.26 -1.46 118.70 121.90 3jx8 s GLU 161 Ca -0.03 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.75 3jx8 s GLU 161 Cb -0.13 -1.89 0.06 0.00 0.26 0.00 0.00 34.13 32.44 3jx8 s GLU 161 CO 0.03 -0.04 -0.07 0.00 -0.54 0.00 0.00 175.26 174.65 3jx8 s ASN 163 N 1.12 4.27 -0.30 0.00 0.01 0.35 -1.45 114.94 118.94 3jx8 s ASN 163 Ca -0.06 -1.14 -0.11 0.00 -0.71 0.00 0.00 52.86 50.85 3jx8 s ASN 163 Cb -0.20 -0.47 0.18 0.00 0.41 0.00 0.00 41.25 41.17 3jx8 s ASN 163 CO -0.05 -0.49 0.93 0.00 -1.51 0.00 0.00 177.10 175.98 3jx8 s ALA 165 N -2.62 -2.95 0.00 0.60 0.00 -1.26 -4.06 121.76 111.47 3jx8 s ALA 165 Ca 0.39 1.71 0.00 0.00 0.00 0.00 0.00 51.96 54.06 3jx8 s ALA 165 Cb 0.05 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3jx8 s ALA 165 CO 0.21 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.10 3jx8 n GLY 166 N 5.33 0.89 0.76 0.00 0.00 -0.78 -1.29 105.19 110.11 3jx8 n GLY 166 Ca -0.06 -1.85 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 1.41 2.58 -2.45 1.61 3.41 -1.04 -0.74 113.62 118.39 3jx8 n SER 167 Ca 0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3jx8 n SER 167 Cb 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.38 0.00 3.24 5.00 0.00 -0.36 -4.33 105.19 110.12 3jx8 n GLY 168 Ca 0.12 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.16 -0.09 1.61 4.22 -0.60 -1.43 114.94 117.49 3jx8 s ASN 169 Ca 0.00 -0.03 0.03 0.00 -2.14 0.00 0.00 52.86 50.72 3jx8 s ASN 169 Cb 0.00 0.33 0.01 0.00 1.28 0.00 0.00 41.25 42.86 3jx8 s ASN 169 CO 0.00 -0.51 -0.19 -0.63 -2.04 0.00 0.00 177.10 173.73 3jx8 s ILE 170 N -1.80 1.67 -0.05 0.54 1.01 -0.58 -1.87 121.20 120.11 3jx8 s ILE 170 Ca -0.10 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3jx8 s ILE 170 Cb -0.04 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3jx8 s ILE 170 CO 0.01 0.47 -0.13 -0.51 0.00 0.00 0.00 174.94 174.79 3jx8 s ILE 171 N 0.58 1.10 -0.28 2.92 2.07 -0.15 -0.91 121.20 126.53 3jx8 s ILE 171 Ca -0.15 -0.51 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 3jx8 s ILE 171 Cb -0.17 -0.98 0.07 0.00 0.13 0.00 0.00 42.46 41.52 3jx8 s ILE 171 CO 0.05 0.34 -0.04 0.00 -1.91 0.00 0.00 174.94 173.37 3jx8 s ALA 172 N 0.32 2.46 -0.54 1.50 0.00 0.02 -0.45 121.76 125.07 3jx8 s ALA 172 Ca -0.07 -1.87 0.24 0.00 0.00 0.00 0.00 51.96 50.26 3jx8 s ALA 172 Cb -0.12 -1.65 0.51 0.00 0.00 0.00 0.00 23.12 21.85 3jx8 s ALA 172 CO 0.02 -1.35 1.67 0.87 0.00 0.00 0.00 175.76 176.97 3jx8 h LYS 173 N 7.79 0.00 -0.94 0.00 1.57 -1.32 0.69 116.57 124.35 3jx8 h LYS 173 Ca -0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3jx8 h LYS 173 Cb 1.04 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.16 3jx8 h LYS 173 CO 0.47 0.00 -0.43 0.34 -0.57 0.00 0.00 179.45 179.26 3jx8 s ASP 174 N -5.59 -1.45 0.09 0.86 -1.08 -1.16 -4.58 116.67 103.76 3jx8 s ASP 174 Ca 0.08 -0.83 0.07 0.00 -0.52 0.00 0.00 52.55 51.35 3jx8 s ASP 174 Cb 0.08 1.86 -0.04 0.00 -1.46 0.00 0.00 42.92 43.35 3jx8 s ASP 174 CO 0.64 -0.15 -0.09 0.27 0.52 0.00 0.00 175.17 176.36 3jx8 s ILE 175 N 1.76 3.41 -0.28 4.11 -4.36 -0.55 0.19 121.20 125.47 3jx8 s ILE 175 Ca 0.17 -1.21 -0.02 0.00 -0.26 0.00 0.00 60.65 59.33 3jx8 s ILE 175 Cb -0.03 -2.58 0.12 0.00 1.25 0.00 0.00 42.46 41.22 3jx8 s ILE 175 CO -0.07 0.14 0.24 -1.58 0.24 0.00 0.00 174.94 173.91 3jx8 s GLN 176 N -2.12 0.27 0.02 0.37 0.74 0.58 -1.69 119.66 117.83 3jx8 s GLN 176 Ca 0.21 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.38 3jx8 s GLN 176 Cb -0.11 -0.86 -0.02 0.00 1.10 0.00 0.00 33.01 33.12 3jx8 s GLN 176 CO 0.13 -1.00 -0.04 -0.51 -0.55 0.00 0.00 175.29 173.32 3jx8 s LEU 177 N 2.27 2.23 0.14 3.68 1.43 -0.71 -1.97 118.68 125.75 3jx8 s LEU 177 Ca 0.09 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3jx8 s LEU 177 Cb -0.15 0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 3jx8 s LEU 177 CO -0.33 -0.26 1.48 0.44 0.23 0.00 0.00 176.35 177.91 3jx8 h ASP 178 N 4.68 0.99 -3.65 2.29 3.32 -1.19 -1.79 116.42 121.07 3jx8 h ASP 178 Ca -0.33 -0.46 -0.25 0.00 0.02 0.00 0.00 57.03 56.02 3jx8 h ASP 178 Cb 1.21 -0.28 -0.30 0.00 0.22 0.00 0.00 39.33 40.18 3jx8 h ASP 178 CO 0.41 1.24 -0.70 0.20 -1.72 0.00 0.00 179.24 178.68 3jx8 s ASN 179 N -6.80 -0.00 -0.04 6.45 0.01 0.13 -1.73 114.94 112.96 3jx8 s ASN 179 Ca -0.11 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3jx8 s ASN 179 Cb 0.11 0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.81 3jx8 s ASN 179 CO 0.88 -0.06 -0.07 -0.22 -1.51 0.00 0.00 177.10 176.12 3jx8 s LEU 180 N 0.42 1.57 -0.07 0.60 2.96 -0.45 -1.72 118.68 121.99 3jx8 s LEU 180 Ca -0.03 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3jx8 s LEU 180 Cb -0.05 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.15 3jx8 s LEU 180 CO -0.01 0.00 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.46 3jx8 s SER 181 N 0.57 1.56 -0.09 3.68 0.15 -0.54 -0.71 113.70 118.32 3jx8 s SER 181 Ca -0.09 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.48 3jx8 s SER 181 Cb -0.12 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3jx8 s SER 181 CO 0.01 -0.16 -0.21 0.00 1.20 0.00 0.00 173.24 174.08 3jx8 s SER 183 N 0.44 1.44 -0.12 0.00 0.01 -0.53 -0.26 113.70 114.68 3jx8 s SER 183 Ca -0.18 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3jx8 s SER 183 Cb -0.17 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.45 3jx8 s SER 183 CO 0.07 -0.05 -0.17 -0.22 0.41 0.00 0.00 173.24 173.28 3jx8 s LEU 184 N 1.08 1.85 -0.07 2.44 2.96 0.14 -4.17 118.68 122.91 3jx8 s LEU 184 Ca -0.08 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3jx8 s LEU 184 Cb -0.14 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3jx8 s LEU 184 CO -0.01 0.03 -0.12 0.00 -1.32 0.00 0.00 176.35 174.94 3jx8 s ALA 185 N 0.96 2.75 0.00 5.97 0.00 -1.26 -0.51 121.76 129.67 3jx8 s ALA 185 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3jx8 s ALA 185 Cb -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3jx8 s ALA 185 CO -0.02 0.50 0.00 0.45 0.00 0.00 0.00 175.76 176.69 3jx8 n SER 186 N 2.50 0.00 -0.95 0.00 2.88 -0.45 -1.86 113.62 115.74 3jx8 n SER 186 Ca -0.17 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.47 3jx8 n SER 186 Cb 0.52 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.77 3.06 -2.84 -3.46 3.41 -1.12 -1.50 113.62 111.94 3jx8 n SER 187 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3jx8 n SER 187 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.24 0.87 3.33 5.00 0.00 0.08 -4.24 105.19 111.46 3jx8 n GLY 188 Ca 0.15 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 0.52 -0.07 1.61 2.12 -0.52 -1.38 118.70 120.98 3jx8 s GLU 189 Ca 0.00 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.95 3jx8 s GLU 189 Cb 0.00 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.65 3jx8 s GLU 189 CO 0.00 -0.07 -0.17 0.42 -0.54 0.00 0.00 175.26 174.90 3jx8 s ILE 190 N 0.19 1.49 -0.05 -3.70 1.01 -0.57 -1.53 121.20 118.02 3jx8 s ILE 190 Ca -0.00 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3jx8 s ILE 190 Cb -0.03 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.14 3jx8 s ILE 190 CO 0.01 0.43 -0.11 -0.70 0.00 0.00 0.00 174.94 174.57 3jx8 s GLU 191 N 0.42 1.43 -0.01 2.79 2.12 -0.09 -0.11 118.70 125.25 3jx8 s GLU 191 Ca -0.13 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.87 3jx8 s GLU 191 Cb -0.16 -1.23 -0.00 0.00 0.26 0.00 0.00 34.13 33.00 3jx8 s GLU 191 CO 0.05 0.04 -0.09 0.14 -0.54 0.00 0.00 175.26 174.86 3jx8 s VAL 192 N 0.58 0.70 -0.04 3.70 -7.23 -0.64 -0.80 120.40 116.67 3jx8 s VAL 192 Ca -0.11 -0.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3jx8 s VAL 192 Cb -0.14 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.22 3jx8 s VAL 192 CO 0.02 0.21 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.35 3jx8 s ILE 193 N -0.04 0.47 -1.11 -0.62 1.01 0.24 -3.78 121.20 117.37 3jx8 s ILE 193 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3jx8 s ILE 193 Cb -0.05 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3jx8 s ILE 193 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3jx8 n GLY 194 N 3.97 0.23 2.95 6.18 0.00 0.05 -1.48 105.19 117.09 3jx8 n GLY 194 Ca -0.25 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 0.41 -0.02 2.61 -4.23 -0.68 -0.60 115.64 109.13 3jx8 s THR 195 Ca 0.00 -0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 3jx8 s THR 195 Cb 0.00 -0.36 0.01 0.00 1.34 0.00 0.00 72.50 73.48 3jx8 s THR 195 CO 0.00 0.12 0.14 0.68 -0.54 0.00 0.00 174.62 175.02 3jx8 s VAL 196 N -0.02 0.05 -0.04 2.29 -7.23 -0.02 -1.74 120.40 113.69 3jx8 s VAL 196 Ca 0.01 -0.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 3jx8 s VAL 196 Cb -0.03 -0.34 -0.11 0.00 0.56 0.00 0.00 36.38 36.46 3jx8 s VAL 196 CO -0.00 -0.23 0.72 -0.78 -0.31 0.00 0.00 175.10 174.50 3jx8 h ASP 197 N 4.95 -0.40 -3.48 4.85 3.58 -1.30 -2.62 116.42 122.00 3jx8 h ASP 197 Ca -0.29 -0.08 -0.60 0.00 0.42 0.00 0.00 57.03 56.49 3jx8 h ASP 197 Cb 1.20 0.10 -0.33 0.00 1.72 0.00 0.00 39.33 42.02 3jx8 h ASP 197 CO 0.41 0.06 -0.85 -0.13 -2.88 0.00 0.00 179.24 175.84 3jx8 s ARG 198 N -3.43 2.32 -0.01 0.28 0.52 -0.71 -1.49 118.95 116.43 3jx8 s ARG 198 Ca -0.09 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 3jx8 s ARG 198 Cb 0.01 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 3jx8 s ARG 198 CO 0.31 0.14 -0.18 0.00 0.02 0.00 0.00 175.30 175.58 3jx8 s ALA 199 N 0.40 1.52 -0.12 2.13 0.00 -0.06 -1.34 121.76 124.29 3jx8 s ALA 199 Ca -0.15 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3jx8 s ALA 199 Cb -0.16 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3jx8 s ALA 199 CO 0.06 0.37 -0.17 0.45 0.00 0.00 0.00 175.76 176.47 3jx8 s SER 200 N -0.50 2.65 -0.17 0.00 0.15 0.11 -1.25 113.70 114.70 3jx8 s SER 200 Ca 0.07 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3jx8 s SER 200 Cb -0.07 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 3jx8 s SER 200 CO -0.00 0.01 -0.16 -0.36 1.20 0.00 0.00 173.24 173.93 3jx8 s PHE 201 N 1.06 2.45 -0.05 3.44 0.08 0.64 -0.47 117.98 125.13 3jx8 s PHE 201 Ca -0.04 -1.43 0.02 0.00 0.12 0.00 0.00 56.93 55.60 3jx8 s PHE 201 Cb -0.15 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 3jx8 s PHE 201 CO -0.04 -0.74 -0.11 -0.80 -0.10 0.00 0.00 175.22 173.44 3jx8 s ASN 202 N 1.39 1.61 -0.08 1.36 0.01 0.64 -0.71 114.94 119.17 3jx8 s ASN 202 Ca 0.05 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 3jx8 s ASN 202 Cb -0.13 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 40.87 3jx8 s ASN 202 CO -0.11 0.04 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.69 3jx8 s VAL 203 N 0.56 1.30 -0.41 1.60 1.01 0.14 -0.69 120.40 123.92 3jx8 s VAL 203 Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3jx8 s VAL 203 Cb -0.14 -1.19 0.12 0.00 0.00 0.00 0.00 36.38 35.17 3jx8 s VAL 203 CO 0.03 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.69 3jx8 s ALA 204 N 0.83 2.48 0.00 5.51 0.00 0.34 -0.40 121.76 130.52 3jx8 s ALA 204 Ca -0.11 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.30 3jx8 s ALA 204 Cb -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3jx8 s ALA 204 CO 0.02 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.31 3jx8 n GLY 205 N 3.89 0.83 0.44 0.00 0.00 -0.72 -1.35 105.19 108.28 3jx8 n GLY 205 Ca 0.04 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 1.01 1.34 -2.79 1.61 3.41 -1.18 -1.56 113.62 115.46 3jx8 n SER 206 Ca 0.00 -1.51 -0.11 0.00 -0.26 0.00 0.00 58.87 56.99 3jx8 n SER 206 Cb 0.00 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.13 -1.76 2.91 5.00 0.00 -0.56 -4.38 105.19 107.53 3jx8 n GLY 207 Ca 0.18 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.04 0.37 -0.18 1.61 2.12 -0.48 -1.42 118.70 116.68 3jx8 s GLU 208 Ca 0.28 -0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.45 3jx8 s GLU 208 Cb -0.01 -0.39 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 3jx8 s GLU 208 CO 0.20 0.04 0.02 0.42 -0.54 0.00 0.00 175.26 175.39 3jx8 s ILE 209 N 0.18 4.27 -0.36 -3.70 1.01 0.02 -1.51 121.20 121.10 3jx8 s ILE 209 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 3jx8 s ILE 209 Cb -0.05 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.57 3jx8 s ILE 209 CO -0.00 0.45 0.12 -0.54 0.00 0.00 0.00 174.94 174.97 3jx8 s LYS 210 N 0.61 2.39 -0.01 2.79 1.02 0.84 -1.21 119.74 126.18 3jx8 s LYS 210 Ca 0.00 -1.42 0.07 0.00 0.02 0.00 0.00 55.97 54.64 3jx8 s LYS 210 Cb -0.14 -3.46 0.11 0.00 -0.52 0.00 0.00 37.83 33.82 3jx8 s LYS 210 CO 0.02 -0.81 1.05 0.00 -0.92 0.00 0.00 175.35 174.69 3jx8 n ALA 211 N 4.71 2.11 0.25 5.17 0.00 0.25 -1.62 120.51 131.38 3jx8 n ALA 211 Ca -0.09 -1.38 0.08 0.00 0.00 0.00 0.00 53.44 52.05 3jx8 n ALA 211 Cb 0.43 -0.55 0.62 0.00 0.00 0.00 0.00 19.45 19.96 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 0.23 0.00 -0.61 0.00 0.04 -1.78 -1.95 116.94 112.88 3jx8 h PHE 212 Ca -0.05 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 3jx8 h PHE 212 Cb 1.49 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.59 3jx8 h PHE 212 CO 0.12 0.10 0.11 -0.25 -0.60 0.00 0.00 178.31 177.79 3jx8 n ASP 213 N -4.23 5.16 -4.12 2.17 8.00 -1.26 -4.63 116.55 117.62 3jx8 n ASP 213 Ca -0.03 -3.08 -0.36 0.00 0.71 0.00 0.00 54.79 52.03 3jx8 n ASP 213 Cb 0.18 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 3jx8 n ASP 213 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jx8 s GLN 215 N 1.13 3.65 -0.03 0.00 0.74 0.23 -4.22 119.66 121.17 3jx8 s GLN 215 Ca 0.08 0.59 -0.02 0.00 0.05 0.00 0.00 55.36 56.06 3jx8 s GLN 215 Cb -0.23 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 3jx8 s GLN 215 CO -0.04 -1.48 0.12 0.00 -0.55 0.00 0.00 175.29 173.34 3jx8 s ALA 216 N 4.78 3.75 -0.08 1.58 0.00 -0.40 -0.84 121.76 130.54 3jx8 s ALA 216 Ca 0.50 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.44 3jx8 s ALA 216 Cb -0.08 -1.74 -0.19 0.00 0.00 0.00 0.00 23.12 21.11 3jx8 s ALA 216 CO 0.31 0.70 0.82 -0.09 0.00 0.00 0.00 175.76 177.49 3jx8 h ARG 217 N 4.19 -0.08 -5.80 0.00 2.43 -0.86 -0.20 114.38 114.06 3jx8 h ARG 217 Ca -0.50 0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.04 3jx8 h ARG 217 Cb 1.19 0.02 -0.31 0.00 -0.42 0.00 0.00 29.97 30.45 3jx8 h ARG 217 CO 0.64 0.52 -0.87 0.15 -1.51 0.00 0.00 179.97 178.90 3jx8 s LYS 218 N -2.95 2.16 -0.00 0.20 1.02 -0.72 -1.00 119.74 118.44 3jx8 s LYS 218 Ca -0.14 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.08 3jx8 s LYS 218 Cb -0.01 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 3jx8 s LYS 218 CO 0.54 0.35 -0.07 0.00 -0.92 0.00 0.00 175.35 175.25 3jx8 s ALA 219 N -0.16 0.56 -0.12 5.17 0.00 0.48 -0.88 121.76 126.82 3jx8 s ALA 219 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3jx8 s ALA 219 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3jx8 s ALA 219 CO 0.02 0.12 -0.16 -2.00 0.00 0.00 0.00 175.76 173.74 3jx8 s GLU 220 N -0.29 3.26 -0.11 0.00 2.12 -0.38 -0.36 118.70 122.94 3jx8 s GLU 220 Ca 0.02 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3jx8 s GLU 220 Cb -0.03 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.85 3jx8 s GLU 220 CO -0.00 0.22 -0.17 0.00 -0.54 0.00 0.00 175.26 174.76 3jx8 s ASN 222 N 0.87 1.78 -0.09 0.00 0.01 0.12 -0.81 114.94 116.82 3jx8 s ASN 222 Ca -0.08 -0.29 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 3jx8 s ASN 222 Cb -0.15 -0.81 0.01 0.00 0.41 0.00 0.00 41.25 40.71 3jx8 s ASN 222 CO -0.00 0.01 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.82 3jx8 s ILE 223 N 0.79 1.44 -0.17 0.60 1.01 -0.34 -0.68 121.20 123.85 3jx8 s ILE 223 Ca -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3jx8 s ILE 223 Cb -0.15 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 3jx8 s ILE 223 CO 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 174.94 175.29 3jx8 s ALA 224 N 0.73 2.68 0.00 9.38 0.00 0.47 -0.44 121.76 134.58 3jx8 s ALA 224 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3jx8 s ALA 224 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3jx8 s ALA 224 CO 0.03 -0.07 0.00 0.45 0.00 0.00 0.00 175.76 176.17 3jx8 n SER 225 N 4.11 0.00 -0.98 0.00 2.88 0.09 -1.76 113.62 117.96 3jx8 n SER 225 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3jx8 n SER 225 Cb 0.52 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.19 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 1.99 3.32 -3.40 -3.46 3.41 -1.24 -1.61 113.62 112.63 3jx8 n SER 226 Ca 0.00 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.42 3jx8 n SER 226 Cb 0.00 -0.31 0.18 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.12 -2.21 2.90 5.00 0.00 -0.60 -4.37 105.19 107.02 3jx8 n GLY 227 Ca 0.17 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 3jx8 n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jx8 s GLU 228 N -5.10 0.12 -0.04 1.61 2.02 -0.51 -1.80 118.70 115.01 3jx8 s GLU 228 Ca 0.58 -0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.52 3jx8 s GLU 228 Cb -0.04 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.09 3jx8 s GLU 228 CO 0.43 0.03 -0.12 0.42 0.02 0.00 0.00 175.26 176.04 3jx8 s ILE 229 N -0.10 1.02 -0.20 -1.63 1.01 -0.64 -0.80 121.20 119.86 3jx8 s ILE 229 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3jx8 s ILE 229 Cb -0.01 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.56 3jx8 s ILE 229 CO -0.00 0.31 -0.12 -0.44 0.00 0.00 0.00 174.94 174.69 3jx8 s SER 230 N 0.26 3.74 0.07 3.58 0.01 -0.35 -0.98 113.70 120.03 3jx8 s SER 230 Ca -0.06 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.71 3jx8 s SER 230 Cb -0.11 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3jx8 s SER 230 CO 0.01 -0.02 -0.12 0.54 0.41 0.00 0.00 173.24 174.07 3jx8 s VAL 231 N 1.38 0.99 -0.21 3.43 0.11 -0.06 -0.58 120.40 125.47 3jx8 s VAL 231 Ca 0.05 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 57.76 3jx8 s VAL 231 Cb -0.14 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.72 3jx8 s VAL 231 CO -0.08 -0.31 -0.02 -0.47 -3.33 0.00 0.00 175.10 170.89 3jx8 s TYR 232 N -1.50 1.75 -0.03 1.54 5.04 -1.24 -1.19 117.35 121.71 3jx8 s TYR 232 Ca -0.02 -1.30 0.03 0.00 -2.44 0.00 0.00 57.07 53.35 3jx8 s TYR 232 Cb -0.09 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.90 3jx8 s TYR 232 CO 0.02 -0.68 -0.13 0.00 -1.34 0.00 0.00 175.55 173.41 3jx8 s ALA 233 N 1.61 1.18 -0.10 3.97 0.00 -1.12 -1.28 121.76 126.03 3jx8 s ALA 233 Ca -0.03 -0.50 0.20 0.00 0.00 0.00 0.00 51.96 51.63 3jx8 s ALA 233 Cb -0.18 -0.41 -0.27 0.00 0.00 0.00 0.00 23.12 22.26 3jx8 s ALA 233 CO -0.07 0.20 0.42 0.25 0.00 0.00 0.00 175.76 176.57 3jx8 n THR 234 N 3.23 0.58 0.03 0.00 -2.24 -0.09 -3.49 114.28 112.31 3jx8 n THR 234 Ca -0.18 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 60.96 3jx8 n THR 234 Cb 0.54 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.50 0.03 -4.42 -0.78 7.27 -0.17 -3.90 117.38 112.91 3jx8 n GLN 235 Ca -0.13 0.01 -0.25 0.00 0.07 0.00 0.00 57.00 56.70 3jx8 n GLN 235 Cb 0.78 -0.54 -0.17 0.00 2.41 0.00 0.00 30.24 32.72 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 -2.04 1.12 -0.11 1.69 -1.09 -0.83 -0.42 121.20 119.52 3jx8 s ILE 236 Ca -0.01 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3jx8 s ILE 236 Cb 0.00 -1.05 0.02 0.00 -1.58 0.00 0.00 42.46 39.85 3jx8 s ILE 236 CO 0.02 0.36 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.75 3jx8 s LEU 237 N 0.91 1.50 -0.37 2.97 2.96 -0.60 -0.39 118.68 125.66 3jx8 s LEU 237 Ca -0.10 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3jx8 s LEU 237 Cb -0.15 -0.98 0.05 0.00 0.50 0.00 0.00 46.19 45.61 3jx8 s LEU 237 CO 0.01 -0.05 0.16 -0.62 -1.32 0.00 0.00 176.35 174.52 3jx8 s ASP 238 N 1.34 5.44 -0.27 3.68 2.15 0.51 -0.72 116.67 128.80 3jx8 s ASP 238 Ca -0.00 -1.26 -0.02 0.00 0.43 0.00 0.00 52.55 51.69 3jx8 s ASP 238 Cb -0.14 -1.91 0.03 0.00 -0.30 0.00 0.00 42.92 40.60 3jx8 s ASP 238 CO -0.06 -0.39 -0.02 0.00 -0.17 0.00 0.00 175.17 174.53 3jx8 s ALA 239 N 1.41 2.79 -0.09 3.66 0.00 0.51 -0.35 121.76 129.68 3jx8 s ALA 239 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.42 3jx8 s ALA 239 Cb -0.20 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3jx8 s ALA 239 CO 0.03 -0.98 -0.12 -0.80 0.00 0.00 0.00 175.76 173.89 3jx8 s ASN 240 N 1.33 2.13 -0.05 0.00 0.01 0.01 -0.72 114.94 117.64 3jx8 s ASN 240 Ca -0.01 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3jx8 s ASN 240 Cb -0.18 -0.93 0.01 0.00 0.41 0.00 0.00 41.25 40.56 3jx8 s ASN 240 CO -0.02 -0.01 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.83 3jx8 s ILE 241 N 1.05 0.92 -0.33 0.60 1.01 0.41 -1.20 121.20 123.66 3jx8 s ILE 241 Ca -0.07 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3jx8 s ILE 241 Cb -0.15 -0.84 0.10 0.00 0.01 0.00 0.00 42.46 41.58 3jx8 s ILE 241 CO -0.01 0.30 0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3jx8 s VAL 242 N 0.51 1.53 -2.97 2.92 1.01 0.42 -4.16 120.40 119.66 3jx8 s VAL 242 Ca -0.09 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.03 3jx8 s VAL 242 Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3jx8 s VAL 242 CO 0.02 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.08 3jx8 n GLY 243 N 4.56 0.77 0.90 4.51 0.00 -1.26 -0.73 105.19 113.93 3jx8 n GLY 243 Ca 0.01 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 2.72 -3.83 1.61 3.41 -1.05 -1.39 113.62 115.09 3jx8 n SER 244 Ca 0.00 -1.88 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 3jx8 n SER 244 Cb 0.00 -0.16 0.24 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.59 1.60 -0.01 5.00 0.00 -0.63 -4.17 107.32 107.52 3jx8 s GLY 245 Ca 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3jx8 s GLY 245 CO 0.30 -0.10 0.01 -0.54 0.00 0.00 0.00 173.10 172.77 3jx8 s GLU 246 N -5.45 0.01 -0.19 2.90 2.02 -0.74 -1.54 118.70 115.71 3jx8 s GLU 246 Ca 0.71 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.75 3jx8 s GLU 246 Cb -0.09 -0.16 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 3jx8 s GLU 246 CO 0.56 -0.08 -0.05 0.42 0.02 0.00 0.00 175.26 176.13 3jx8 s ILE 247 N 0.56 3.55 -0.16 -1.63 1.01 -0.62 -1.62 121.20 122.29 3jx8 s ILE 247 Ca -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3jx8 s ILE 247 Cb -0.07 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3jx8 s ILE 247 CO -0.02 0.45 -0.06 -1.00 0.00 0.00 0.00 174.94 174.32 3jx8 s HIS 248 N 1.00 2.96 0.03 3.97 3.76 -0.15 -1.29 115.29 125.57 3jx8 s HIS 248 Ca 0.00 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 3jx8 s HIS 248 Cb -0.15 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 3jx8 s HIS 248 CO 0.01 -0.14 -0.13 1.52 -0.85 0.00 0.00 174.74 175.15 3jx8 s TYR 249 N 0.50 1.10 0.40 1.40 1.13 0.03 -0.88 117.35 121.03 3jx8 s TYR 249 Ca -0.05 -0.34 0.04 0.00 -1.41 0.00 0.00 57.07 55.32 3jx8 s TYR 249 Cb -0.15 -0.66 -0.06 0.00 -1.10 0.00 0.00 41.96 40.00 3jx8 s TYR 249 CO 0.03 0.02 0.04 -1.59 -2.51 0.00 0.00 175.55 171.54 3jx8 s LYS 250 N -1.07 1.90 0.00 -3.49 -2.85 -0.34 -0.80 119.74 113.10 3jx8 s LYS 250 Ca 0.00 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 3jx8 s LYS 250 Cb -0.07 -1.25 0.00 0.00 -2.06 0.00 0.00 37.83 34.44 3jx8 s LYS 250 CO 0.01 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.66 3jx8 n GLY 251 N -0.93 -0.07 2.76 0.59 0.00 -1.26 -2.78 105.19 103.49 3jx8 n GLY 251 Ca -0.07 -1.91 -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 -0.43 4.25 -4.84 1.61 8.00 -1.25 -4.96 116.55 118.92 3jx8 n ASP 252 Ca 0.00 -3.63 -0.29 0.00 0.71 0.00 0.00 54.79 51.58 3jx8 n ASP 252 Cb 0.00 -0.53 0.11 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 -3.42 1.56 -0.31 -0.24 0.04 -1.23 -4.72 135.00 126.68 3jx8 s PRO 253 Ca 0.48 0.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 3jx8 s PRO 253 Cb 0.32 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.98 3jx8 s PRO 253 CO -0.15 -1.89 1.04 -1.21 0.04 0.00 0.00 177.00 174.83 3jx8 s GLU 254 N -5.43 4.08 -0.17 4.56 2.02 0.44 -4.88 118.70 119.33 3jx8 s GLU 254 Ca 0.63 1.06 -0.11 0.00 0.02 0.00 0.00 54.97 56.56 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 0.51 -0.84 0.20 -1.50 0.02 0.00 0.00 175.26 173.65 3jx8 s ILE 255 N 3.51 5.37 -0.22 -1.63 2.07 -1.26 -1.56 121.20 127.48 3jx8 s ILE 255 Ca 0.44 0.34 -0.07 0.00 -1.41 0.00 0.00 60.65 59.95 3jx8 s ILE 255 Cb -0.13 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 38.90 3jx8 s ILE 255 CO 0.14 0.45 0.07 -0.44 -1.91 0.00 0.00 174.94 173.25 3jx8 s SER 256 N 0.15 5.38 -0.07 4.50 0.01 0.10 -4.99 113.70 118.78 3jx8 s SER 256 Ca 0.13 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.33 3jx8 s SER 256 Cb -0.12 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 3jx8 s SER 256 CO 0.01 0.06 -0.10 -0.54 0.41 0.00 0.00 173.24 173.08 3jx8 s LYS 257 N 1.07 2.70 -0.24 12.44 1.02 -1.26 -0.36 119.74 135.11 3jx8 s LYS 257 Ca 0.04 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.39 3jx8 s LYS 257 Cb -0.14 -2.52 0.13 0.00 -0.52 0.00 0.00 37.83 34.78 3jx8 s LYS 257 CO 0.03 0.62 0.39 0.45 -0.92 0.00 0.00 175.35 175.92 3jx8 s SER 258 N -0.70 0.11 0.50 2.83 0.15 0.10 -4.98 113.70 111.70 3jx8 s SER 258 Ca 0.11 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.14 3jx8 s SER 258 Cb -0.11 1.18 -0.00 0.00 -1.71 0.00 0.00 66.02 65.38 3jx8 s SER 258 CO 0.01 -0.29 0.02 -0.38 1.20 0.00 0.00 173.24 173.81 3jx8 n ILE 259 N 5.37 0.00 -2.43 6.45 5.41 -1.26 -0.45 119.36 132.46 3jx8 n ILE 259 Ca -0.04 -2.41 0.04 0.00 1.00 0.00 0.00 62.75 61.34 3jx8 n ILE 259 Cb 0.50 0.54 -0.01 0.00 -0.71 0.00 0.00 39.64 39.96 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 -1.06 -0.79 0.20 7.39 0.00 -1.26 -4.99 105.19 104.67 3jx8 n GLY 261 Ca -0.19 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.70 0.60 -3.45 1.61 3.41 -1.17 -4.91 113.62 106.01 3jx8 n SER 262 Ca 0.00 -1.54 -0.28 0.00 -0.26 0.00 0.00 58.87 56.79 3jx8 n SER 262 Cb 0.14 -0.04 0.24 0.00 -0.26 0.00 0.00 64.21 64.29 3jx8 n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jx8 n GLY 263 N 0.90 -2.94 3.38 5.00 0.00 -0.49 -4.84 105.19 106.20 3jx8 n GLY 263 Ca 0.14 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3jx8 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx8 s SER 264 N -4.09 -0.44 -0.02 1.61 1.04 -0.59 -4.96 113.70 106.25 3jx8 s SER 264 Ca 0.66 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 57.03 3jx8 s SER 264 Cb -0.07 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 3jx8 s SER 264 CO 0.52 -0.92 -0.20 -0.63 0.98 0.00 0.00 173.24 172.99 3jx8 s ILE 265 N -3.76 1.58 -0.11 -1.02 1.01 -1.26 -1.59 121.20 116.06 3jx8 s ILE 265 Ca 0.02 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3jx8 s ILE 265 Cb 0.00 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.17 3jx8 s ILE 265 CO -0.12 0.45 0.31 0.54 0.00 0.00 0.00 174.94 176.11 3jx8 s ASN 266 N -0.34 -0.32 -0.04 3.58 4.22 -0.41 -4.99 114.94 116.64 3jx8 s ASN 266 Ca 0.05 0.60 -0.14 0.00 -2.14 0.00 0.00 52.86 51.22 3jx8 s ASN 266 Cb -0.09 0.62 -0.05 0.00 1.28 0.00 0.00 41.25 43.01 3jx8 s ASN 266 CO 0.00 -0.12 0.38 -0.75 -2.04 0.00 0.00 177.10 174.58 3jx8 s LYS 267 N 0.12 3.97 0.26 3.55 2.20 -1.26 -0.79 119.74 127.78 3jx8 s LYS 267 Ca -0.00 0.33 0.08 0.00 -0.36 0.00 0.00 55.97 56.02 3jx8 s LYS 267 Cb -0.02 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 3jx8 s LYS 267 CO 0.01 0.58 -0.11 0.14 -0.36 0.00 0.00 175.35 175.61 3jx8 s VAL 268 N -0.70 1.85 -2.04 4.02 -7.23 0.02 -4.90 120.40 111.43 3jx8 s VAL 268 Ca 0.22 -2.21 0.32 0.00 -1.81 0.00 0.00 61.98 58.50 3jx8 s VAL 268 Cb -0.16 -2.30 0.88 0.00 0.56 0.00 0.00 36.38 35.36 3jx8 s VAL 268 CO 0.11 -0.41 2.19 0.29 -0.31 0.00 0.00 175.10 176.97