#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 0.27 -5.48 -0.67 1.57 -1.96 -3.46 116.57 106.84 3jx8 h LYS 24 Ca 0.00 -0.45 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 3jx8 h LYS 24 Cb 0.00 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 3jx8 h LYS 24 CO 0.00 1.22 -0.29 0.50 -0.57 0.00 0.00 179.45 180.31 3jx8 s ARG 25 N -2.42 4.24 -0.16 3.15 3.52 -1.26 -0.15 118.95 125.87 3jx8 s ARG 25 Ca -0.15 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 3jx8 s ARG 25 Cb 0.01 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 3jx8 s ARG 25 CO 0.81 0.16 -0.14 0.42 -0.81 0.00 0.00 175.30 175.74 3jx8 s ILE 26 N 0.70 1.60 0.11 4.11 -1.09 0.16 -4.94 121.20 121.85 3jx8 s ILE 26 Ca 0.18 -0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 57.69 3jx8 s ILE 26 Cb -0.14 -1.53 -0.07 0.00 -1.58 0.00 0.00 42.46 39.14 3jx8 s ILE 26 CO 0.05 0.41 0.61 -1.81 -1.23 0.00 0.00 174.94 172.97 3jx8 s ASP 27 N 1.46 7.06 0.27 3.58 1.01 -1.26 -0.47 116.67 128.32 3jx8 s ASP 27 Ca 0.04 1.29 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 3jx8 s ASP 27 Cb -0.13 -2.37 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 3jx8 s ASP 27 CO -0.10 0.21 1.46 -0.83 0.21 0.00 0.00 175.17 176.12 3jx8 s GLY 28 N -1.28 2.39 0.00 0.21 0.00 0.78 -4.89 107.32 104.52 3jx8 s GLY 28 Ca 0.33 1.39 0.29 0.00 0.00 0.00 0.00 44.72 46.73 3jx8 s GLY 28 CO 0.20 2.30 2.09 1.16 0.00 0.00 0.00 173.10 178.84 3jx8 n ASN 29 N 2.02 0.00 0.00 1.64 6.94 -1.26 -4.76 115.26 119.84 3jx8 n ASN 29 Ca 0.06 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 3jx8 n ASN 29 Cb 0.40 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 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 0.84 0.65 3.12 4.83 0.00 -1.26 -4.99 105.19 108.37 3jx8 n GLY 30 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.14 5.36 0.26 1.61 0.01 -1.26 -5.04 114.94 113.74 3jx8 s ASN 31 Ca 0.00 -2.79 -0.30 0.00 -0.71 0.00 0.00 52.86 49.07 3jx8 s ASN 31 Cb 0.00 -1.88 -0.10 0.00 0.41 0.00 0.00 41.25 39.68 3jx8 s ASN 31 CO 0.00 -0.40 1.33 -2.84 -1.51 0.00 0.00 177.10 173.69 3jx8 s PRO 32 N 0.03 4.36 -0.03 -0.60 0.02 -1.26 -1.25 135.00 136.27 3jx8 s PRO 32 Ca 0.16 2.16 0.05 0.00 0.02 0.00 0.00 61.00 63.39 3jx8 s PRO 32 Cb -0.20 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3jx8 s PRO 32 CO -0.04 -0.26 -0.17 -2.00 -0.33 0.00 0.00 177.00 174.21 3jx8 s GLU 33 N -0.75 1.55 -0.16 5.54 2.12 -0.20 -4.83 118.70 121.98 3jx8 s GLU 33 Ca 0.54 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 55.22 3jx8 s GLU 33 Cb -0.39 -1.42 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 3jx8 s GLU 33 CO 0.44 0.30 0.03 0.99 -0.54 0.00 0.00 175.26 176.49 3jx8 s THR 34 N -0.18 4.56 -0.08 -1.70 2.01 -1.26 -1.75 115.64 117.23 3jx8 s THR 34 Ca 0.02 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3jx8 s THR 34 Cb -0.09 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.42 3jx8 s THR 34 CO 0.01 0.50 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.18 3jx8 s ARG 35 N 0.10 1.81 -0.15 4.92 0.52 0.08 -4.99 118.95 121.24 3jx8 s ARG 35 Ca 0.04 -0.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.58 3jx8 s ARG 35 Cb -0.13 -1.56 -0.02 0.00 0.52 0.00 0.00 34.95 33.76 3jx8 s ARG 35 CO 0.01 -0.04 0.75 -1.21 0.02 0.00 0.00 175.30 174.83 3jx8 s GLU 36 N 0.92 4.31 -0.17 3.54 2.02 -1.26 -1.03 118.70 127.04 3jx8 s GLU 36 Ca -0.09 0.89 -0.03 0.00 0.02 0.00 0.00 54.97 55.76 3jx8 s GLU 36 Cb -0.15 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 3jx8 s GLU 36 CO 0.00 -0.21 -0.06 0.42 0.02 0.00 0.00 175.26 175.44 3jx8 s ILE 37 N 1.74 3.51 0.06 -1.63 1.01 0.44 -4.99 121.20 121.35 3jx8 s ILE 37 Ca 0.36 -0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 3jx8 s ILE 37 Cb -0.17 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 3jx8 s ILE 37 CO 0.14 0.48 1.46 -0.75 0.00 0.00 0.00 174.94 176.26 3jx8 s LYS 38 N 0.73 4.27 0.02 2.79 2.36 -1.26 -3.89 119.74 124.76 3jx8 s LYS 38 Ca -0.03 2.09 -0.03 0.00 -2.55 0.00 0.00 55.97 55.45 3jx8 s LYS 38 Cb -0.15 -3.45 -0.01 0.00 -1.05 0.00 0.00 37.83 33.17 3jx8 s LYS 38 CO 0.02 -0.56 0.05 0.96 1.55 0.00 0.00 175.35 177.37 3jx8 s ILE 39 N 1.97 0.11 0.83 5.43 -4.36 -1.26 -4.85 121.20 119.06 3jx8 s ILE 39 Ca 0.66 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 60.04 3jx8 s ILE 39 Cb -0.35 -0.46 0.10 0.00 1.25 0.00 0.00 42.46 42.99 3jx8 s ILE 39 CO 0.29 -0.49 1.19 -0.44 0.24 0.00 0.00 174.94 175.74 3jx8 s SER 40 N -1.58 4.29 0.79 4.36 0.01 -1.26 -4.77 113.70 115.54 3jx8 s SER 40 Ca -0.13 0.68 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 3jx8 s SER 40 Cb -0.07 -1.10 0.07 0.00 0.21 0.00 0.00 66.02 65.12 3jx8 s SER 40 CO -0.01 -2.03 1.17 -0.67 0.41 0.00 0.00 173.24 172.12 3jx8 n ASP 41 N -3.37 1.00 -3.83 2.44 2.03 -1.26 -4.93 116.55 108.63 3jx8 n ASP 41 Ca 0.09 0.61 -0.11 0.00 0.52 0.00 0.00 54.79 55.89 3jx8 n ASP 41 Cb 0.61 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.42 3jx8 n ASP 41 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3jx8 s TYR 42 N -2.05 -0.01 -0.22 -0.67 -0.85 -1.26 -4.59 117.35 107.70 3jx8 s TYR 42 Ca 0.74 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 57.23 3jx8 s TYR 42 Cb -0.30 -0.01 0.04 0.00 0.38 0.00 0.00 41.96 42.08 3jx8 s TYR 42 CO 0.50 -0.36 0.85 -0.40 -1.52 0.00 0.00 175.55 174.62 3jx8 n ASP 43 N 1.15 1.76 -3.80 -0.18 5.68 -0.44 -4.43 116.55 116.29 3jx8 n ASP 43 Ca -0.21 -1.62 -0.12 0.00 -0.50 0.00 0.00 54.79 52.34 3jx8 n ASP 43 Cb 0.57 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.65 0.42 -0.09 0.11 2.12 -1.19 -0.94 118.70 118.48 3jx8 s GLU 44 Ca 0.04 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.43 3jx8 s GLU 44 Cb 0.02 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.61 3jx8 s GLU 44 CO 0.03 -0.09 -0.15 0.42 -0.54 0.00 0.00 175.26 174.93 3jx8 s ILE 45 N -0.56 1.43 -0.31 -3.70 1.01 -0.27 -0.62 121.20 118.19 3jx8 s ILE 45 Ca -0.07 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3jx8 s ILE 45 Cb -0.04 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3jx8 s ILE 45 CO 0.01 0.43 0.08 -0.89 0.00 0.00 0.00 174.94 174.57 3jx8 s THR 46 N 0.81 3.81 -0.17 2.92 2.01 0.59 -0.61 115.64 125.00 3jx8 s THR 46 Ca -0.11 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 3jx8 s THR 46 Cb -0.16 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.35 3jx8 s THR 46 CO 0.02 -0.02 -0.07 0.12 -0.69 0.00 0.00 174.62 173.98 3jx8 s PHE 47 N 1.45 1.84 -0.11 4.92 5.36 -0.00 -1.22 117.98 130.20 3jx8 s PHE 47 Ca 0.01 -1.15 0.03 0.00 -0.96 0.00 0.00 56.93 54.86 3jx8 s PHE 47 Cb -0.18 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 3jx8 s PHE 47 CO 0.02 -0.63 -0.22 0.08 -1.46 0.00 0.00 175.22 173.01 3jx8 s VAL 48 N 1.59 2.16 -4.79 3.12 1.01 0.05 -1.43 120.40 122.10 3jx8 s VAL 48 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3jx8 s VAL 48 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3jx8 s VAL 48 CO -0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3jx8 n GLY 49 N 3.68 0.98 0.99 4.51 0.00 -0.42 -4.29 105.19 110.64 3jx8 n GLY 49 Ca -0.19 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 2.88 3.43 -4.74 1.61 3.41 -1.26 -1.89 113.62 117.06 3jx8 n SER 50 Ca 0.00 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.29 3jx8 n SER 50 Cb 0.00 -0.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.00 2.17 -0.41 7.33 0.00 -1.26 -4.32 121.76 124.27 3jx8 s ALA 51 Ca 0.36 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 3jx8 s ALA 51 Cb 0.19 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3jx8 s ALA 51 CO 0.24 -1.78 0.88 -0.51 0.00 0.00 0.00 175.76 174.59 3jx8 s ASP 52 N -2.64 6.55 -0.25 0.00 1.01 -0.70 -1.17 116.67 119.47 3jx8 s ASP 52 Ca 0.67 0.28 -0.05 0.00 0.71 0.00 0.00 52.55 54.17 3jx8 s ASP 52 Cb -0.22 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3jx8 s ASP 52 CO 0.48 -0.90 -0.00 0.12 0.21 0.00 0.00 175.17 175.08 3jx8 s PHE 53 N 3.47 3.04 -0.23 4.23 2.19 0.42 -0.65 117.98 130.46 3jx8 s PHE 53 Ca 0.35 -1.00 -0.08 0.00 0.33 0.00 0.00 56.93 56.53 3jx8 s PHE 53 Cb -0.12 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.40 3jx8 s PHE 53 CO 0.21 -0.57 0.09 -1.21 1.83 0.00 0.00 175.22 175.58 3jx8 s GLU 54 N 1.47 3.85 0.09 10.12 2.02 0.73 -1.11 118.70 135.87 3jx8 s GLU 54 Ca 0.04 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.72 3jx8 s GLU 54 Cb -0.16 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3jx8 s GLU 54 CO -0.01 0.01 -0.20 -0.47 0.02 0.00 0.00 175.26 174.60 3jx8 s TYR 55 N 1.13 1.74 0.00 1.61 5.04 -0.60 -1.27 117.35 125.00 3jx8 s TYR 55 Ca 0.05 -0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 54.20 3jx8 s TYR 55 Cb -0.14 -0.96 -0.00 0.00 0.35 0.00 0.00 41.96 41.20 3jx8 s TYR 55 CO 0.04 0.18 0.12 -1.21 -1.34 0.00 0.00 175.55 173.34 3jx8 s GLU 56 N -1.79 0.46 0.25 4.97 0.41 -1.06 -4.16 118.70 117.78 3jx8 s GLU 56 Ca 0.06 -0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.93 3jx8 s GLU 56 Cb -0.10 0.19 -0.09 0.00 -1.78 0.00 0.00 34.13 32.35 3jx8 s GLU 56 CO 0.04 -0.11 0.92 -0.65 -0.49 0.00 0.00 175.26 174.97 3jx8 s GLN 57 N -1.35 4.77 -0.14 1.61 -0.21 -1.26 -2.88 119.66 120.19 3jx8 s GLN 57 Ca -0.14 1.42 -0.29 0.00 0.02 0.00 0.00 55.36 56.36 3jx8 s GLN 57 Cb -0.08 -3.17 0.07 0.00 1.00 0.00 0.00 33.01 30.84 3jx8 s GLN 57 CO 0.01 0.47 0.71 0.45 -2.12 0.00 0.00 175.29 174.82 3jx8 s SER 58 N -1.28 -0.68 0.00 5.90 0.15 0.77 -4.91 113.70 113.66 3jx8 s SER 58 Ca 0.42 0.98 0.28 0.00 0.70 0.00 0.00 55.95 58.34 3jx8 s SER 58 Cb -0.24 0.88 1.15 0.00 -1.71 0.00 0.00 66.02 66.10 3jx8 s SER 58 CO 0.30 -0.46 1.83 0.47 1.20 0.00 0.00 173.24 176.57 3jx8 n ASP 59 N 1.58 0.33 -4.57 5.45 8.00 -1.26 -3.36 116.55 122.72 3jx8 n ASP 59 Ca -0.17 -0.26 -0.29 0.00 0.71 0.00 0.00 54.79 54.78 3jx8 n ASP 59 Cb 0.56 -0.13 0.22 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.67 -0.29 0.41 -1.24 1.02 -1.26 -4.95 119.74 110.77 3jx8 s LYS 60 Ca 0.23 0.76 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 3jx8 s LYS 60 Cb 0.19 -1.63 -0.11 0.00 -0.52 0.00 0.00 37.83 35.76 3jx8 s LYS 60 CO 0.52 -3.28 1.01 0.00 -0.92 0.00 0.00 175.35 172.68 3jx8 n ALA 61 N -4.59 0.16 -1.77 5.17 0.00 -1.26 -4.82 120.51 113.40 3jx8 n ALA 61 Ca 0.04 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 3jx8 n ALA 61 Cb 0.55 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.98 3.84 -0.01 0.00 0.04 -1.26 -4.89 135.00 130.74 3jx8 s PRO 62 Ca 0.63 2.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.95 3jx8 s PRO 62 Cb -0.56 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3jx8 s PRO 62 CO 0.57 -0.65 0.03 -0.47 0.04 0.00 0.00 177.00 176.53 3jx8 s TYR 63 N -1.23 -0.03 -0.02 0.56 5.04 -1.06 -4.76 117.35 115.85 3jx8 s TYR 63 Ca 0.59 0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 55.29 3jx8 s TYR 63 Cb -0.41 0.01 0.03 0.00 0.35 0.00 0.00 41.96 41.94 3jx8 s TYR 63 CO 0.53 -0.02 0.04 -1.17 -1.34 0.00 0.00 175.55 173.59 3jx8 s LEU 64 N -0.01 1.12 -0.02 6.97 2.96 -1.25 -1.78 118.68 126.66 3jx8 s LEU 64 Ca -0.00 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3jx8 s LEU 64 Cb -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.68 3jx8 s LEU 64 CO 0.00 -0.12 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.29 3jx8 s SER 65 N 0.98 0.98 -0.05 3.68 0.15 -0.03 -0.42 113.70 118.99 3jx8 s SER 65 Ca -0.08 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.44 3jx8 s SER 65 Cb -0.12 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 3jx8 s SER 65 CO -0.03 0.06 -0.09 -0.69 1.20 0.00 0.00 173.24 173.69 3jx8 s VAL 66 N 0.09 0.85 -0.18 4.45 1.01 -0.19 -1.06 120.40 125.37 3jx8 s VAL 66 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3jx8 s VAL 66 Cb -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3jx8 s VAL 66 CO -0.00 0.28 -0.17 -0.89 0.00 0.00 0.00 175.10 174.32 3jx8 s THR 67 N 0.61 2.33 0.15 3.92 2.01 0.27 -0.74 115.64 124.19 3jx8 s THR 67 Ca -0.11 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.86 3jx8 s THR 67 Cb -0.14 -1.98 0.04 0.00 0.01 0.00 0.00 72.50 70.43 3jx8 s THR 67 CO 0.02 0.52 0.46 -0.51 -0.69 0.00 0.00 174.62 174.41 3jx8 s ILE 68 N 1.18 0.05 0.12 1.82 2.07 -0.72 -1.30 121.20 124.43 3jx8 s ILE 68 Ca 0.02 -0.57 -0.35 0.00 -1.41 0.00 0.00 60.65 58.34 3jx8 s ILE 68 Cb -0.14 -1.27 -0.17 0.00 0.13 0.00 0.00 42.46 41.02 3jx8 s ILE 68 CO -0.08 -0.22 1.18 0.47 -1.91 0.00 0.00 174.94 174.37 3jx8 n ASP 69 N -0.28 1.12 -0.18 4.50 9.92 -1.24 -1.03 116.55 129.36 3jx8 n ASP 69 Ca -0.14 1.14 0.14 0.00 -0.53 0.00 0.00 54.79 55.39 3jx8 n ASP 69 Cb 0.64 -1.15 0.46 0.00 -0.64 0.00 0.00 41.12 40.43 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 3.59 0.49 0.00 -1.24 4.11 -1.50 -0.17 114.58 119.86 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 1.36 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3jx8 h GLU 70 CO 0.71 0.32 -0.10 -2.95 0.07 0.00 0.00 179.01 177.07 3jx8 h ASN 71 N 0.50 0.00 1.72 3.06 -1.07 -1.87 -3.23 115.58 114.69 3jx8 h ASN 71 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.74 3jx8 h ASN 71 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 3jx8 h ASN 71 CO -0.13 0.10 -0.10 -0.07 0.07 0.00 0.00 177.43 177.29 3jx8 h LEU 72 N 0.00 0.00 -1.29 6.14 3.38 -1.36 -3.30 115.31 118.88 3jx8 h LEU 72 Ca -0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3jx8 h LEU 72 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3jx8 h LEU 72 CO 0.01 0.01 0.53 -0.26 0.09 0.00 0.00 178.44 178.82 3jx8 h PHE 73 N 0.00 0.85 0.00 1.13 0.04 -1.67 0.45 116.94 117.74 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 0.91 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.78 3jx8 h PHE 73 CO 0.00 0.41 0.00 -0.44 -0.60 0.00 0.00 178.31 177.68 3jx8 h ASP 74 N 0.81 0.00 -0.37 2.17 3.32 -1.81 -2.47 116.42 118.07 3jx8 h ASP 74 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3jx8 h ASP 74 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3jx8 h ASP 74 CO -0.14 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.16 3jx8 n TYR 75 N -2.87 0.48 -5.13 4.55 4.02 0.14 -4.98 117.16 113.36 3jx8 n TYR 75 Ca -0.02 -0.33 -0.29 0.00 -0.01 0.00 0.00 57.90 57.24 3jx8 n TYR 75 Cb 0.07 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.14 2.03 -0.13 7.72 2.96 -0.93 -0.28 118.68 128.91 3jx8 s LEU 76 Ca 0.31 -0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 3jx8 s LEU 76 Cb 0.17 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 3jx8 s LEU 76 CO 0.23 0.26 0.33 -0.69 -1.32 0.00 0.00 176.35 175.17 3jx8 s VAL 77 N -0.39 5.26 -0.32 1.68 1.01 0.82 -4.81 120.40 123.66 3jx8 s VAL 77 Ca 0.05 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 3jx8 s VAL 77 Cb -0.10 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.75 3jx8 s VAL 77 CO 0.00 0.41 0.27 0.42 0.00 0.00 0.00 175.10 176.20 3jx8 s THR 78 N 0.25 -0.23 0.16 3.92 -4.23 -1.24 -1.80 115.64 112.49 3jx8 s THR 78 Ca 0.19 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 3jx8 s THR 78 Cb -0.14 -0.93 0.06 0.00 1.34 0.00 0.00 72.50 72.84 3jx8 s THR 78 CO 0.06 -0.64 0.71 -1.83 -0.54 0.00 0.00 174.62 172.38 3jx8 s GLU 79 N 1.84 1.32 -0.11 3.99 -1.05 -0.49 -5.01 118.70 119.19 3jx8 s GLU 79 Ca 0.13 -0.59 -0.02 0.00 -0.15 0.00 0.00 54.97 54.34 3jx8 s GLU 79 Cb -0.16 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 3jx8 s GLU 79 CO -0.20 -0.59 -0.04 0.08 0.95 0.00 0.00 175.26 175.46 3jx8 s VAL 80 N -3.64 3.95 -0.22 1.83 1.01 -1.26 -0.09 120.40 121.96 3jx8 s VAL 80 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3jx8 s VAL 80 Cb -0.02 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.75 3jx8 s VAL 80 CO -0.06 0.55 0.54 -0.70 0.00 0.00 0.00 175.10 175.43 3jx8 s GLU 81 N -0.26 0.53 -1.34 2.72 2.12 -0.10 -4.88 118.70 117.49 3jx8 s GLU 81 Ca 0.05 1.03 -0.06 0.00 0.36 0.00 0.00 54.97 56.35 3jx8 s GLU 81 Cb -0.13 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3jx8 s GLU 81 CO 0.02 -0.17 0.74 0.41 -0.54 0.00 0.00 175.26 175.72 3jx8 n GLY 82 N 4.45 -0.40 2.44 -1.50 0.00 -1.26 -1.72 105.19 107.20 3jx8 n GLY 82 Ca -0.20 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.60 1.51 3.08 -0.02 0.00 -1.26 -5.00 105.19 101.90 3jx8 n GLY 83 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.58 1.56 -0.12 2.61 2.01 -0.70 -1.33 115.64 117.09 3jx8 s THR 84 Ca 0.00 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 3jx8 s THR 84 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3jx8 s THR 84 CO 0.00 0.45 1.10 -0.22 -0.69 0.00 0.00 174.62 175.26 3jx8 s LEU 85 N 0.85 4.22 -0.17 4.42 2.96 0.21 -0.92 118.68 130.25 3jx8 s LEU 85 Ca -0.09 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 3jx8 s LEU 85 Cb -0.15 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.01 3jx8 s LEU 85 CO 0.00 -0.57 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.75 3jx8 s LYS 86 N 2.49 2.69 -0.19 1.98 1.02 0.87 -0.30 119.74 128.29 3jx8 s LYS 86 Ca 0.50 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 3jx8 s LYS 86 Cb -0.20 -2.42 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 3jx8 s LYS 86 CO 0.16 -0.24 0.00 0.42 -0.92 0.00 0.00 175.35 174.78 3jx8 s ILE 87 N 1.35 0.77 0.02 2.17 1.01 -0.36 -1.40 121.20 124.77 3jx8 s ILE 87 Ca 0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 3jx8 s ILE 87 Cb -0.13 -1.17 0.09 0.00 0.01 0.00 0.00 42.46 41.26 3jx8 s ILE 87 CO -0.12 -0.11 0.80 -0.72 0.00 0.00 0.00 174.94 174.79 3jx8 s TYR 88 N 1.75 -0.43 0.37 3.97 -0.85 -0.74 -0.77 117.35 120.65 3jx8 s TYR 88 Ca -0.01 0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 56.64 3jx8 s TYR 88 Cb -0.17 0.52 -0.10 0.00 0.38 0.00 0.00 41.96 42.59 3jx8 s TYR 88 CO -0.07 -0.62 1.42 -2.14 -1.52 0.00 0.00 175.55 172.61 3jx8 s PRO 89 N -2.91 4.12 0.79 -3.49 0.02 -1.26 -0.12 135.00 132.14 3jx8 s PRO 89 Ca 0.02 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 3jx8 s PRO 89 Cb -0.01 -2.95 0.07 0.00 0.02 0.00 0.00 34.50 31.64 3jx8 s PRO 89 CO -0.07 -0.47 1.19 0.15 -0.33 0.00 0.00 177.00 177.47 3jx8 s LYS 90 N -2.06 1.81 0.56 5.54 1.02 0.62 -4.73 119.74 122.50 3jx8 s LYS 90 Ca 0.53 1.69 -0.21 0.00 0.02 0.00 0.00 55.97 57.99 3jx8 s LYS 90 Cb -0.44 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3jx8 s LYS 90 CO 0.59 -2.07 1.35 -1.12 -0.92 0.00 0.00 175.35 173.18 3jx8 s SER 91 N -2.26 5.17 0.17 2.83 0.01 -1.26 -1.89 113.70 116.47 3jx8 s SER 91 Ca 0.72 2.75 -0.32 0.00 1.31 0.00 0.00 55.95 60.41 3jx8 s SER 91 Cb -0.27 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.22 3jx8 s SER 91 CO 0.50 -1.64 1.62 -0.63 0.41 0.00 0.00 173.24 173.50 3jx8 s ILE 92 N -1.31 2.48 0.02 1.44 1.01 -0.05 -4.78 121.20 120.01 3jx8 s ILE 92 Ca 0.73 0.32 -0.35 0.00 0.00 0.00 0.00 60.65 61.35 3jx8 s ILE 92 Cb -0.40 -3.21 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 3jx8 s ILE 92 CO 0.47 0.02 1.67 1.17 0.00 0.00 0.00 174.94 178.27 3jx8 n LYS 93 N 4.11 1.91 -1.92 2.79 4.81 -1.26 -0.06 118.16 128.54 3jx8 n LYS 93 Ca 0.15 0.70 -0.21 0.00 -0.87 0.00 0.00 58.31 58.07 3jx8 n LYS 93 Cb 0.38 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 32.91 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 4.63 -1.55 -0.21 1.64 4.76 -1.26 -4.86 118.16 121.30 3jx8 n LYS 94 Ca 0.20 1.13 0.11 0.00 -2.87 0.00 0.00 58.31 56.89 3jx8 n LYS 94 Cb 0.26 -5.63 0.25 0.00 -1.84 0.00 0.00 35.03 28.07 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 -0.63 1.63 2.43 0.72 0.00 0.91 -4.97 105.19 105.28 3jx8 n GLY 95 Ca -0.22 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 1.34 -0.80 -2.02 1.61 3.72 -1.26 -1.57 117.46 118.49 3jx8 n PHE 96 Ca 0.20 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.42 3jx8 n PHE 96 Cb 0.56 -3.84 -0.04 0.00 -0.94 0.00 0.00 39.48 35.22 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 -1.82 -5.00 0.08 4.37 3.02 -1.26 -4.86 115.26 109.79 3jx8 n ASN 97 Ca -0.24 0.23 0.13 0.00 -0.03 0.00 0.00 54.58 54.67 3jx8 n ASN 97 Cb 0.68 -4.31 0.43 0.00 -0.61 0.00 0.00 39.78 35.97 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 -1.54 0.63 -3.59 6.41 3.02 -0.61 -4.94 115.26 114.65 3jx8 n ASN 98 Ca -0.20 0.51 -0.06 0.00 -0.03 0.00 0.00 54.58 54.81 3jx8 n ASN 98 Cb 0.63 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -4.16 -0.26 0.36 6.41 6.03 -1.26 -5.10 114.94 116.95 3jx8 s ASN 99 Ca 0.11 -0.11 0.05 0.00 -1.03 0.00 0.00 52.86 51.88 3jx8 s ASN 99 Cb 0.14 0.36 -0.07 0.00 -3.03 0.00 0.00 41.25 38.64 3jx8 s ASN 99 CO 0.59 -0.61 0.03 -0.94 -2.03 0.00 0.00 177.10 174.15 3jx8 s SER 100 N -2.59 2.98 0.47 3.54 1.04 -1.26 -0.87 113.70 117.01 3jx8 s SER 100 Ca 0.08 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 54.92 3jx8 s SER 100 Cb -0.01 -0.21 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 3jx8 s SER 100 CO -0.05 -0.53 1.13 -0.31 0.98 0.00 0.00 173.24 174.45 3jx8 s TYR 101 N -3.05 2.90 -0.60 5.02 2.02 -0.79 -4.72 117.35 118.13 3jx8 s TYR 101 Ca 0.36 1.56 -0.15 0.00 -0.37 0.00 0.00 57.07 58.47 3jx8 s TYR 101 Cb 0.09 -3.30 0.15 0.00 -0.40 0.00 0.00 41.96 38.50 3jx8 s TYR 101 CO 0.16 -1.33 0.55 0.34 -1.57 0.00 0.00 175.55 173.70 3jx8 s ASP 102 N -1.53 6.27 -0.02 2.29 2.15 0.79 -4.85 116.67 121.76 3jx8 s ASP 102 Ca 0.65 -2.02 -0.19 0.00 0.43 0.00 0.00 52.55 51.42 3jx8 s ASP 102 Cb -0.26 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 3jx8 s ASP 102 CO 0.31 -0.77 0.53 -0.76 -0.17 0.00 0.00 175.17 174.31 3jx8 s LEU 103 N 1.23 4.41 -0.67 -1.34 1.43 -1.26 -0.67 118.68 121.81 3jx8 s LEU 103 Ca 0.07 1.06 0.05 0.00 -1.03 0.00 0.00 54.13 54.28 3jx8 s LEU 103 Cb -0.25 -2.81 0.16 0.00 0.03 0.00 0.00 46.19 43.32 3jx8 s LEU 103 CO -0.00 0.14 0.45 -0.13 0.23 0.00 0.00 176.35 177.04 3jx8 s ARG 104 N -0.28 2.38 0.61 1.70 1.81 0.38 -4.92 118.95 120.62 3jx8 s ARG 104 Ca 0.28 -3.19 -0.16 0.00 -1.72 0.00 0.00 55.73 50.95 3jx8 s ARG 104 Cb -0.17 -3.42 -0.03 0.00 -0.45 0.00 0.00 34.95 30.88 3jx8 s ARG 104 CO 0.15 -1.25 1.07 -1.25 -0.68 0.00 0.00 175.30 173.35 3jx8 s PRO 105 N -1.19 3.21 0.20 3.54 0.04 -1.26 -0.16 135.00 139.37 3jx8 s PRO 105 Ca 0.23 1.25 0.21 0.00 0.04 0.00 0.00 61.00 62.74 3jx8 s PRO 105 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3jx8 s PRO 105 CO -0.13 -0.91 1.06 1.79 0.04 0.00 0.00 177.00 178.86 3jx8 h THR 106 N 0.37 0.10 -2.76 1.26 1.35 -1.98 -3.46 112.91 107.79 3jx8 h THR 106 Ca -0.47 -1.19 -0.12 0.00 -0.55 0.00 0.00 66.41 64.07 3jx8 h THR 106 Cb 1.23 1.65 -0.24 0.00 -1.73 0.00 0.00 68.15 69.05 3jx8 h THR 106 CO 0.57 0.06 -0.26 -0.69 -0.25 0.00 0.00 175.52 174.95 3jx8 s VAL 107 N -3.27 -0.00 -0.28 6.82 1.01 -1.26 -5.07 120.40 118.34 3jx8 s VAL 107 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3jx8 s VAL 107 Cb 0.09 -0.56 0.18 0.00 0.00 0.00 0.00 36.38 36.09 3jx8 s VAL 107 CO 0.78 0.00 0.52 -0.47 0.00 0.00 0.00 175.10 175.94 3jx8 s TYR 108 N 0.35 -1.43 -0.00 5.22 5.04 -1.25 -3.72 117.35 121.56 3jx8 s TYR 108 Ca -0.01 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.82 3jx8 s TYR 108 Cb -0.03 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 3jx8 s TYR 108 CO -0.01 -0.92 -0.09 0.15 -1.34 0.00 0.00 175.55 173.34 3jx8 s LYS 109 N 2.74 0.76 -0.04 4.97 1.02 -0.42 -1.72 119.74 127.06 3jx8 s LYS 109 Ca 0.15 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.81 3jx8 s LYS 109 Cb -0.13 -0.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.45 3jx8 s LYS 109 CO -0.23 0.20 -0.10 0.42 -0.92 0.00 0.00 175.35 174.72 3jx8 s ILE 110 N -0.26 0.88 -0.09 2.17 1.01 0.18 -0.57 121.20 124.53 3jx8 s ILE 110 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3jx8 s ILE 110 Cb -0.04 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.64 3jx8 s ILE 110 CO -0.00 0.28 -0.17 -0.75 0.00 0.00 0.00 174.94 174.30 3jx8 s LYS 111 N 0.35 2.25 0.09 2.79 2.20 -0.22 -0.19 119.74 127.01 3jx8 s LYS 111 Ca -0.06 -0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 54.79 3jx8 s LYS 111 Cb -0.11 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 3jx8 s LYS 111 CO 0.01 0.05 0.38 0.45 -0.36 0.00 0.00 175.35 175.88 3jx8 s SER 112 N 0.64 -0.21 0.06 1.43 0.15 -0.40 -0.85 113.70 114.52 3jx8 s SER 112 Ca -0.14 -0.23 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 3jx8 s SER 112 Cb -0.16 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3jx8 s SER 112 CO 0.04 -0.76 0.16 0.54 1.20 0.00 0.00 173.24 174.42 3jx8 s ASN 113 N -2.49 0.13 0.33 5.45 2.20 -0.74 -2.56 114.94 117.26 3jx8 s ASN 113 Ca -0.00 -0.55 -0.08 0.00 -0.94 0.00 0.00 52.86 51.29 3jx8 s ASN 113 Cb 0.01 0.29 0.01 0.00 -2.00 0.00 0.00 41.25 39.56 3jx8 s ASN 113 CO -0.08 -0.61 0.54 -0.94 -2.94 0.00 0.00 177.10 173.06 3jx8 s SER 114 N -2.45 0.47 0.17 3.54 1.04 -1.14 -2.55 113.70 112.79 3jx8 s SER 114 Ca -0.00 -1.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.08 3jx8 s SER 114 Cb 0.02 0.68 0.06 0.00 0.10 0.00 0.00 66.02 66.88 3jx8 s SER 114 CO -0.07 -1.33 1.53 0.11 0.98 0.00 0.00 173.24 174.46 3jx8 h LYS 115 N 2.13 0.82 -2.70 4.02 1.79 -1.77 0.22 116.57 121.08 3jx8 h LYS 115 Ca -0.28 -0.41 -0.10 0.00 -2.18 0.00 0.00 60.65 57.67 3jx8 h LYS 115 Cb 1.24 0.01 -0.21 0.00 -1.58 0.00 0.00 32.23 31.69 3jx8 h LYS 115 CO 0.38 1.05 -0.15 -2.00 -1.08 0.00 0.00 179.45 177.65 3jx8 s GLU 116 N -4.39 0.72 -0.31 3.15 2.12 -1.26 -4.04 118.70 114.69 3jx8 s GLU 116 Ca -0.10 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.40 3jx8 s GLU 116 Cb 0.12 0.33 0.09 0.00 0.26 0.00 0.00 34.13 34.93 3jx8 s GLU 116 CO 0.86 -0.18 0.00 -1.17 -0.54 0.00 0.00 175.26 174.23 3jx8 s LEU 117 N -0.87 4.25 0.00 2.70 2.96 -1.26 -4.09 118.68 122.37 3jx8 s LEU 117 Ca -0.09 -1.89 0.03 0.00 -0.22 0.00 0.00 54.13 51.95 3jx8 s LEU 117 Cb -0.04 -1.58 -0.25 0.00 0.50 0.00 0.00 46.19 44.83 3jx8 s LEU 117 CO 0.05 -0.32 0.84 0.11 -1.32 0.00 0.00 176.35 175.71 3jx8 h LYS 118 N 7.68 0.14 -2.81 1.98 1.57 -1.26 -3.43 116.57 120.44 3jx8 h LYS 118 Ca -0.09 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.29 3jx8 h LYS 118 Cb 1.03 0.09 -0.29 0.00 0.08 0.00 0.00 32.23 33.14 3jx8 h LYS 118 CO 0.50 0.93 -0.42 -2.00 -0.57 0.00 0.00 179.45 177.89 3jx8 s GLU 119 N -2.62 0.27 -0.17 3.15 2.12 -1.18 -0.68 118.70 119.59 3jx8 s GLU 119 Ca -0.07 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3jx8 s GLU 119 Cb 0.08 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 3jx8 s GLU 119 CO 0.83 -0.20 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.10 3jx8 s LEU 120 N 1.72 2.86 -0.28 2.70 2.96 -0.18 -1.11 118.68 127.35 3jx8 s LEU 120 Ca -0.06 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3jx8 s LEU 120 Cb -0.10 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3jx8 s LEU 120 CO -0.10 0.09 -0.07 0.20 -1.32 0.00 0.00 176.35 175.15 3jx8 s ASN 121 N 0.79 4.47 -0.04 3.68 0.01 0.22 0.09 114.94 124.18 3jx8 s ASN 121 Ca -0.03 -1.56 0.06 0.00 -0.71 0.00 0.00 52.86 50.62 3jx8 s ASN 121 Cb -0.15 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.97 3jx8 s ASN 121 CO 0.01 -0.24 -0.23 0.28 -1.51 0.00 0.00 177.10 175.41 3jx8 s THR 122 N 1.08 1.84 -0.03 1.60 -1.32 0.27 -0.82 115.64 118.26 3jx8 s THR 122 Ca -0.04 -0.97 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 3jx8 s THR 122 Cb -0.20 -1.55 0.03 0.00 -1.51 0.00 0.00 72.50 69.28 3jx8 s THR 122 CO -0.06 0.52 0.04 -0.69 -2.21 0.00 0.00 174.62 172.22 3jx8 s VAL 123 N -0.32 -0.05 -3.59 5.08 1.01 -0.51 -0.94 120.40 121.08 3jx8 s VAL 123 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3jx8 s VAL 123 Cb -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.12 3jx8 s VAL 123 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3jx8 n GLY 124 N 4.75 0.86 1.14 4.51 0.00 -0.31 -1.30 105.19 114.84 3jx8 n GLY 124 Ca -0.15 -2.00 0.11 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 0.06 3.53 -3.04 1.61 3.41 -1.24 -1.07 113.62 116.88 3jx8 n SER 125 Ca 0.00 -1.97 -0.16 0.00 -0.26 0.00 0.00 58.87 56.48 3jx8 n SER 125 Cb 0.00 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.39 -1.78 2.93 5.00 0.00 -0.79 -4.36 105.19 107.57 3jx8 n GLY 126 Ca 0.20 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.43 1.73 -0.20 1.61 0.15 -0.32 -1.16 113.70 112.08 3jx8 s SER 127 Ca 0.40 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 3jx8 s SER 127 Cb -0.02 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 3jx8 s SER 127 CO 0.29 -0.06 -0.13 0.12 1.20 0.00 0.00 173.24 174.66 3jx8 s PHE 128 N 1.22 2.87 -0.07 3.44 2.19 0.08 -0.43 117.98 127.28 3jx8 s PHE 128 Ca -0.05 -1.36 0.02 0.00 0.33 0.00 0.00 56.93 55.87 3jx8 s PHE 128 Cb -0.14 -2.00 0.02 0.00 -1.31 0.00 0.00 43.02 39.58 3jx8 s PHE 128 CO -0.02 -0.70 -0.11 0.42 1.83 0.00 0.00 175.22 176.64 3jx8 s ILE 129 N 1.37 1.05 -0.18 3.12 1.01 -0.27 -0.99 121.20 126.31 3jx8 s ILE 129 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3jx8 s ILE 129 Cb -0.14 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3jx8 s ILE 129 CO -0.09 0.34 -0.08 -0.63 0.00 0.00 0.00 174.94 174.49 3jx8 s ILE 130 N 0.87 3.29 -0.04 2.92 1.01 -0.57 -1.55 121.20 127.14 3jx8 s ILE 130 Ca -0.11 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.08 3jx8 s ILE 130 Cb -0.15 -2.45 -0.13 0.00 0.01 0.00 0.00 42.46 39.74 3jx8 s ILE 130 CO 0.01 0.47 0.20 -1.20 0.00 0.00 0.00 174.94 174.42 3jx8 n SER 131 N 4.22 2.86 -4.98 3.58 7.64 -1.26 -0.50 113.62 125.18 3jx8 n SER 131 Ca -0.18 -0.05 -0.20 0.00 1.01 0.00 0.00 58.87 59.45 3jx8 n SER 131 Cb 0.52 1.37 -0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 -2.54 3.17 0.06 1.43 1.02 -1.26 -3.46 119.74 118.16 3jx8 s LYS 132 Ca -0.03 -0.81 -0.34 0.00 0.02 0.00 0.00 55.97 54.80 3jx8 s LYS 132 Cb 0.06 -2.76 -0.13 0.00 -0.52 0.00 0.00 37.83 34.47 3jx8 s LYS 132 CO 0.36 0.04 1.67 -2.30 -0.92 0.00 0.00 175.35 174.20 3jx8 n PRO 133 N -1.72 2.07 -4.42 -1.68 -0.02 -1.26 -4.38 135.00 123.60 3jx8 n PRO 133 Ca -0.01 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 3jx8 n PRO 133 Cb 0.58 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.00 1.62 -0.17 3.45 2.01 0.43 -4.95 115.64 120.03 3jx8 s THR 134 Ca 0.84 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 3jx8 s THR 134 Cb -0.71 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3jx8 s THR 134 CO 0.44 0.46 0.33 -0.75 -0.69 0.00 0.00 174.62 174.41 3jx8 s LYS 135 N 1.05 4.25 0.05 4.92 2.20 -1.26 -1.62 119.74 129.32 3jx8 s LYS 135 Ca -0.05 0.14 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 3jx8 s LYS 135 Cb -0.15 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3jx8 s LYS 135 CO -0.03 0.17 -0.21 0.14 -0.36 0.00 0.00 175.35 175.06 3jx8 s VAL 136 N 0.66 1.68 0.00 4.02 -7.23 0.10 -4.95 120.40 114.69 3jx8 s VAL 136 Ca 0.18 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3jx8 s VAL 136 Cb -0.13 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.34 3jx8 s VAL 136 CO 0.05 0.18 0.00 -3.20 -0.31 0.00 0.00 175.10 171.83 3jx8 n ASN 137 N 1.78 0.00 -4.74 4.85 5.15 -1.26 -2.20 115.26 118.84 3jx8 n ASN 137 Ca -0.17 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.50 3jx8 n ASN 137 Cb 0.53 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.70 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 2.15 0.00 1.20 0.52 -1.26 -0.60 118.95 120.96 3jx8 s ARG 138 Ca 0.00 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 52.92 3jx8 s ARG 138 Cb 0.00 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.86 3jx8 s ARG 138 CO 0.00 -0.30 0.00 -1.91 0.02 0.00 0.00 175.30 173.11 3jx8 n GLU 140 N -1.23 0.00 -3.88 3.54 2.13 0.15 -4.46 120.64 116.88 3jx8 n GLU 140 Ca -0.14 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.32 3jx8 n GLU 140 Cb 0.67 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.25 3jx8 n GLU 140 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3jx8 s ILE 141 N 0.00 4.16 0.32 6.31 1.01 0.14 -1.01 121.20 132.14 3jx8 s ILE 141 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3jx8 s ILE 141 Cb 0.00 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.49 3jx8 s ILE 141 CO 0.00 0.38 -0.06 0.20 0.00 0.00 0.00 174.94 175.46 3jx8 s ASN 142 N 1.33 3.23 -0.29 3.58 0.01 0.11 0.28 114.94 123.20 3jx8 s ASN 142 Ca 0.05 -1.22 -0.16 0.00 -0.71 0.00 0.00 52.86 50.82 3jx8 s ASN 142 Cb -0.15 -0.26 0.15 0.00 0.41 0.00 0.00 41.25 41.41 3jx8 s ASN 142 CO 0.02 -0.31 1.00 0.00 -1.51 0.00 0.00 177.10 176.31 3jx8 s ALA 144 N -2.84 -2.38 0.00 0.60 0.00 -0.12 -0.57 121.76 116.46 3jx8 s ALA 144 Ca 0.32 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.44 3jx8 s ALA 144 Cb 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3jx8 s ALA 144 CO 0.15 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3jx8 n GLY 145 N 3.84 0.62 0.60 0.00 0.00 -0.69 -1.16 105.19 108.40 3jx8 n GLY 145 Ca -0.17 -2.21 0.12 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 2.16 -3.21 1.61 3.41 -1.09 -0.88 113.62 115.62 3jx8 n SER 146 Ca 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3jx8 n SER 146 Cb 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.42 3.10 5.00 0.00 -0.23 -4.12 105.19 108.90 3jx8 n GLY 147 Ca 0.12 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.24 -0.11 -0.11 1.61 4.22 -0.31 -1.41 114.94 117.60 3jx8 s ASN 148 Ca 0.00 0.11 0.03 0.00 -2.14 0.00 0.00 52.86 50.86 3jx8 s ASN 148 Cb 0.00 0.31 -0.00 0.00 1.28 0.00 0.00 41.25 42.84 3jx8 s ASN 148 CO 0.00 -0.23 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.94 3jx8 s VAL 149 N -0.64 2.35 -0.16 3.54 1.01 -0.64 -0.74 120.40 125.11 3jx8 s VAL 149 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3jx8 s VAL 149 Cb -0.04 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3jx8 s VAL 149 CO 0.01 0.55 -0.09 -1.61 0.00 0.00 0.00 175.10 173.96 3jx8 s GLU 150 N 0.32 1.80 -0.87 2.72 2.02 -0.16 -1.01 118.70 123.53 3jx8 s GLU 150 Ca -0.16 -0.58 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 3jx8 s GLU 150 Cb -0.17 -2.08 0.17 0.00 0.10 0.00 0.00 34.13 32.15 3jx8 s GLU 150 CO 0.08 -0.36 0.94 -0.51 0.02 0.00 0.00 175.26 175.42 3jx8 s LEU 151 N 1.55 5.89 0.09 1.80 1.43 -0.09 -1.51 118.68 127.83 3jx8 s LEU 151 Ca 0.02 -2.33 0.05 0.00 -1.03 0.00 0.00 54.13 50.84 3jx8 s LEU 151 Cb -0.15 -2.30 -0.23 0.00 0.03 0.00 0.00 46.19 43.54 3jx8 s LEU 151 CO -0.09 -0.83 1.16 0.03 0.23 0.00 0.00 176.35 176.85 3jx8 h ARG 152 N 8.34 0.06 -7.41 1.70 3.08 -1.06 -0.82 114.38 118.27 3jx8 h ARG 152 Ca 0.12 -0.11 -0.48 0.00 0.07 0.00 0.00 59.98 59.58 3jx8 h ARG 152 Cb 1.03 0.04 0.08 0.00 0.08 0.00 0.00 29.97 31.20 3jx8 h ARG 152 CO 0.94 0.99 0.33 0.20 -1.07 0.00 0.00 179.97 181.35 3jx8 s GLY 153 N -4.76 1.63 0.11 0.04 0.00 -1.14 -4.66 107.32 98.53 3jx8 s GLY 153 Ca -0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 44.72 43.78 3jx8 s GLY 153 CO 0.83 -0.22 1.68 -4.14 0.00 0.00 0.00 173.10 171.25 3jx8 s PRO 154 N -5.33 4.18 -0.14 2.90 0.02 -1.26 -4.40 135.00 130.97 3jx8 s PRO 154 Ca 0.59 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 64.01 3jx8 s PRO 154 Cb -0.11 -3.46 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 3jx8 s PRO 154 CO 0.48 -0.73 -0.06 0.08 -0.33 0.00 0.00 177.00 176.44 3jx8 s VAL 155 N 2.24 3.72 -0.01 3.83 1.01 0.11 -0.43 120.40 130.86 3jx8 s VAL 155 Ca 0.75 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 3jx8 s VAL 155 Cb -0.43 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3jx8 s VAL 155 CO 0.33 0.51 0.02 -0.75 0.00 0.00 0.00 175.10 175.21 3jx8 s LYS 156 N 0.24 0.00 0.00 2.72 2.20 -0.64 -0.46 119.74 123.81 3jx8 s LYS 156 Ca -0.04 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 3jx8 s LYS 156 Cb -0.14 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 3jx8 s LYS 156 CO 0.03 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 3jx8 n GLY 157 N 3.41 0.00 0.05 5.54 0.00 -0.48 -0.72 105.19 113.00 3jx8 n GLY 157 Ca -0.17 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.36 1.61 3.20 -1.44 -2.08 116.97 114.90 3jx8 h TYR 158 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 3jx8 h TYR 158 Cb 0.00 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 37.93 3jx8 h TYR 158 CO 0.00 0.08 -0.67 0.21 -1.64 0.00 0.00 178.16 176.14 3jx8 s LYS 159 N -1.69 0.02 -0.10 1.82 2.20 0.23 -0.59 119.74 121.62 3jx8 s LYS 159 Ca -0.03 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 3jx8 s LYS 159 Cb 0.00 -0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.07 3jx8 s LYS 159 CO 0.08 -0.19 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.53 3jx8 s LEU 160 N 1.30 2.48 -0.13 5.43 2.96 -0.77 -4.17 118.68 125.79 3jx8 s LEU 160 Ca -0.07 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3jx8 s LEU 160 Cb -0.12 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3jx8 s LEU 160 CO -0.04 0.19 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.27 3jx8 s GLU 161 N 0.17 2.82 -0.30 1.98 2.12 -1.26 -1.04 118.70 123.19 3jx8 s GLU 161 Ca -0.10 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.47 3jx8 s GLU 161 Cb -0.16 -2.29 0.07 0.00 0.26 0.00 0.00 34.13 32.02 3jx8 s GLU 161 CO 0.06 -0.02 -0.01 0.00 -0.54 0.00 0.00 175.26 174.75 3jx8 s ASN 163 N 1.16 4.28 -0.30 0.00 0.01 0.14 -1.58 114.94 118.65 3jx8 s ASN 163 Ca -0.01 -1.17 -0.08 0.00 -0.71 0.00 0.00 52.86 50.88 3jx8 s ASN 163 Cb -0.20 -0.41 0.18 0.00 0.41 0.00 0.00 41.25 41.23 3jx8 s ASN 163 CO -0.05 -0.54 0.86 0.00 -1.51 0.00 0.00 177.10 175.86 3jx8 s ALA 165 N -2.64 -2.93 0.00 0.60 0.00 -1.26 -3.98 121.76 111.55 3jx8 s ALA 165 Ca 0.38 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3jx8 s ALA 165 Cb 0.05 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.82 3jx8 s ALA 165 CO 0.21 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.98 3jx8 n GLY 166 N 5.45 0.29 0.65 0.00 0.00 -0.84 -1.71 105.19 109.03 3jx8 n GLY 166 Ca -0.04 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 1.26 2.34 -3.00 1.61 3.41 -1.09 -0.90 113.62 117.25 3jx8 n SER 167 Ca 0.00 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3jx8 n SER 167 Cb 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.39 -0.27 3.24 5.00 0.00 -0.06 -4.33 105.19 110.17 3jx8 n GLY 168 Ca 0.11 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.10 -0.06 1.61 4.22 -0.50 -1.73 114.94 117.38 3jx8 s ASN 169 Ca 0.00 -0.23 0.05 0.00 -2.14 0.00 0.00 52.86 50.53 3jx8 s ASN 169 Cb 0.00 0.35 -0.00 0.00 1.28 0.00 0.00 41.25 42.88 3jx8 s ASN 169 CO 0.00 -0.62 -0.20 -0.63 -2.04 0.00 0.00 177.10 173.61 3jx8 s ILE 170 N -2.63 1.70 -0.06 0.54 1.01 -0.59 -1.62 121.20 119.55 3jx8 s ILE 170 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3jx8 s ILE 170 Cb -0.01 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.02 3jx8 s ILE 170 CO -0.04 0.48 -0.06 -0.51 0.00 0.00 0.00 174.94 174.81 3jx8 s ILE 171 N 0.07 0.72 -0.29 2.92 2.07 -0.18 -1.03 121.20 125.49 3jx8 s ILE 171 Ca -0.07 -0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 58.95 3jx8 s ILE 171 Cb -0.14 -0.72 0.05 0.00 0.13 0.00 0.00 42.46 41.78 3jx8 s ILE 171 CO 0.04 0.27 -0.04 0.00 -1.91 0.00 0.00 174.94 173.30 3jx8 s ALA 172 N 0.97 2.73 -0.73 1.50 0.00 -0.07 -0.91 121.76 125.25 3jx8 s ALA 172 Ca -0.10 -1.74 0.26 0.00 0.00 0.00 0.00 51.96 50.38 3jx8 s ALA 172 Cb -0.14 -1.82 0.78 0.00 0.00 0.00 0.00 23.12 21.94 3jx8 s ALA 172 CO 0.00 -1.22 1.74 1.63 0.00 0.00 0.00 175.76 177.91 3jx8 n LYS 173 N 4.57 0.26 -3.03 0.00 5.02 -0.31 -1.52 118.16 123.15 3jx8 n LYS 173 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3jx8 n LYS 173 Cb 0.43 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 -4.48 -1.19 0.10 4.39 -1.08 -1.15 -4.60 116.67 108.67 3jx8 s ASP 174 Ca 0.10 -0.73 0.09 0.00 -0.52 0.00 0.00 52.55 51.49 3jx8 s ASP 174 Cb 0.13 1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 43.07 3jx8 s ASP 174 CO 0.61 -0.12 -0.18 0.27 0.52 0.00 0.00 175.17 176.27 3jx8 s ILE 175 N 1.73 2.85 -0.30 4.11 -4.36 -0.41 0.04 121.20 124.86 3jx8 s ILE 175 Ca 0.18 -1.44 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 3jx8 s ILE 175 Cb -0.01 -2.29 0.12 0.00 1.25 0.00 0.00 42.46 41.53 3jx8 s ILE 175 CO -0.09 0.14 0.22 -1.58 0.24 0.00 0.00 174.94 173.87 3jx8 s GLN 176 N -2.03 0.28 0.06 0.37 0.74 0.39 -0.99 119.66 118.49 3jx8 s GLN 176 Ca 0.18 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.20 3jx8 s GLN 176 Cb -0.11 -0.93 -0.03 0.00 1.10 0.00 0.00 33.01 33.05 3jx8 s GLN 176 CO 0.09 -1.04 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.19 3jx8 s LEU 177 N 2.13 2.31 0.10 3.68 1.43 -0.70 -1.38 118.68 126.25 3jx8 s LEU 177 Ca 0.10 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3jx8 s LEU 177 Cb -0.15 -0.26 -0.14 0.00 0.03 0.00 0.00 46.19 45.67 3jx8 s LEU 177 CO -0.32 -0.21 1.33 0.44 0.23 0.00 0.00 176.35 177.82 3jx8 h ASP 178 N 4.14 0.91 -3.59 2.29 3.32 -1.14 -2.02 116.42 120.32 3jx8 h ASP 178 Ca -0.37 -0.59 -0.33 0.00 0.02 0.00 0.00 57.03 55.76 3jx8 h ASP 178 Cb 1.19 -0.27 -0.32 0.00 0.22 0.00 0.00 39.33 40.16 3jx8 h ASP 178 CO 0.45 1.35 -0.74 0.20 -1.72 0.00 0.00 179.24 178.77 3jx8 s ASN 179 N -6.98 0.40 -0.04 6.45 0.01 0.24 -1.35 114.94 113.67 3jx8 s ASN 179 Ca -0.11 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.03 3jx8 s ASN 179 Cb 0.09 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.58 3jx8 s ASN 179 CO 0.89 -0.06 -0.11 -0.22 -1.51 0.00 0.00 177.10 176.09 3jx8 s LEU 180 N 0.70 1.71 -0.07 0.60 2.96 -0.18 -1.84 118.68 122.55 3jx8 s LEU 180 Ca -0.07 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3jx8 s LEU 180 Cb -0.10 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3jx8 s LEU 180 CO -0.01 0.05 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.46 3jx8 s SER 181 N 0.40 1.50 -0.09 3.68 0.15 -0.20 -0.89 113.70 118.24 3jx8 s SER 181 Ca -0.08 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3jx8 s SER 181 Cb -0.12 -0.61 0.01 0.00 -1.71 0.00 0.00 66.02 63.59 3jx8 s SER 181 CO 0.02 -0.07 -0.15 0.00 1.20 0.00 0.00 173.24 174.24 3jx8 s SER 183 N 0.77 2.18 -0.16 0.00 0.01 -0.62 -0.06 113.70 115.81 3jx8 s SER 183 Ca -0.12 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.78 3jx8 s SER 183 Cb -0.16 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.12 3jx8 s SER 183 CO 0.02 0.03 -0.16 -0.22 0.41 0.00 0.00 173.24 173.32 3jx8 s LEU 184 N 0.84 1.89 -0.08 2.44 2.96 0.13 -4.20 118.68 122.66 3jx8 s LEU 184 Ca -0.10 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.21 3jx8 s LEU 184 Cb -0.15 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3jx8 s LEU 184 CO 0.01 -0.04 0.03 0.00 -1.32 0.00 0.00 176.35 175.03 3jx8 s ALA 185 N 1.41 3.39 0.00 5.97 0.00 -1.26 -0.50 121.76 130.77 3jx8 s ALA 185 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3jx8 s ALA 185 Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.44 3jx8 s ALA 185 CO -0.11 0.60 0.00 0.45 0.00 0.00 0.00 175.76 176.70 3jx8 n SER 186 N 2.01 0.00 -0.82 0.00 2.88 -0.59 -1.99 113.62 115.11 3jx8 n SER 186 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 3jx8 n SER 186 Cb 0.54 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.09 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 1.22 2.72 -3.33 -3.46 3.41 -1.13 -1.05 113.62 112.01 3jx8 n SER 187 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3jx8 n SER 187 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.15 -1.23 3.12 5.00 0.00 -0.08 -4.17 105.19 108.98 3jx8 n GLY 188 Ca 0.12 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 0.27 -0.09 1.61 2.12 -0.70 -1.35 118.70 120.56 3jx8 s GLU 189 Ca 0.00 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.94 3jx8 s GLU 189 Cb 0.00 -0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 3jx8 s GLU 189 CO 0.00 -0.14 -0.22 0.42 -0.54 0.00 0.00 175.26 174.77 3jx8 s ILE 190 N 1.14 2.26 -0.05 -3.70 1.01 -0.70 -1.54 121.20 119.62 3jx8 s ILE 190 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.63 3jx8 s ILE 190 Cb -0.09 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3jx8 s ILE 190 CO -0.08 0.56 -0.11 -0.70 0.00 0.00 0.00 174.94 174.60 3jx8 s GLU 191 N 0.14 1.43 -0.01 2.79 2.12 -0.20 -0.30 118.70 124.68 3jx8 s GLU 191 Ca -0.12 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.84 3jx8 s GLU 191 Cb -0.16 -1.24 0.01 0.00 0.26 0.00 0.00 34.13 33.00 3jx8 s GLU 191 CO 0.07 0.07 -0.03 0.14 -0.54 0.00 0.00 175.26 174.96 3jx8 s VAL 192 N 0.47 0.32 -0.05 3.70 -7.23 -0.69 -0.89 120.40 116.04 3jx8 s VAL 192 Ca -0.10 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 3jx8 s VAL 192 Cb -0.13 -0.31 0.02 0.00 0.56 0.00 0.00 36.38 36.52 3jx8 s VAL 192 CO 0.02 0.12 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.27 3jx8 s ILE 193 N 0.29 0.48 0.00 -0.62 1.01 -0.57 -3.68 121.20 118.10 3jx8 s ILE 193 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3jx8 s ILE 193 Cb -0.06 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.88 3jx8 s ILE 193 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3jx8 n GLY 194 N 4.17 0.19 2.92 6.18 0.00 0.06 -1.29 105.19 117.42 3jx8 n GLY 194 Ca -0.23 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 3jx8 n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jx8 s THR 195 N -3.51 0.21 -0.02 2.61 2.01 -0.16 -0.75 115.64 116.02 3jx8 s THR 195 Ca 0.00 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 3jx8 s THR 195 Cb 0.00 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.34 3jx8 s THR 195 CO 0.00 0.06 0.25 0.68 -0.69 0.00 0.00 174.62 174.92 3jx8 s VAL 196 N -0.06 0.06 -0.08 3.82 -7.23 -0.33 -1.73 120.40 114.84 3jx8 s VAL 196 Ca 0.01 -0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.67 3jx8 s VAL 196 Cb -0.01 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.38 3jx8 s VAL 196 CO -0.00 -0.26 0.16 -0.78 -0.31 0.00 0.00 175.10 173.91 3jx8 h ASP 197 N 4.24 -0.11 -3.73 4.85 3.58 -1.29 -2.87 116.42 121.08 3jx8 h ASP 197 Ca -0.29 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.48 3jx8 h ASP 197 Cb 1.18 0.03 -0.30 0.00 1.72 0.00 0.00 39.33 41.96 3jx8 h ASP 197 CO 0.39 0.35 -0.85 -0.13 -2.88 0.00 0.00 179.24 176.12 3jx8 s ARG 198 N -1.97 2.81 0.02 0.28 0.52 -0.46 -1.56 118.95 118.60 3jx8 s ARG 198 Ca -0.02 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.40 3jx8 s ARG 198 Cb 0.00 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 3jx8 s ARG 198 CO 0.06 0.33 -0.17 0.00 0.02 0.00 0.00 175.30 175.53 3jx8 s ALA 199 N -0.01 1.42 -0.12 2.13 0.00 -0.15 -1.02 121.76 124.02 3jx8 s ALA 199 Ca -0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 3jx8 s ALA 199 Cb -0.15 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3jx8 s ALA 199 CO 0.05 0.32 -0.08 0.45 0.00 0.00 0.00 175.76 176.49 3jx8 s SER 200 N -0.87 2.22 -0.16 0.00 0.15 -0.07 -0.99 113.70 113.98 3jx8 s SER 200 Ca 0.05 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3jx8 s SER 200 Cb -0.08 -0.87 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 3jx8 s SER 200 CO 0.01 -0.11 -0.20 -0.36 1.20 0.00 0.00 173.24 173.77 3jx8 s PHE 201 N 1.68 2.73 -0.07 3.44 0.08 0.53 -0.33 117.98 126.03 3jx8 s PHE 201 Ca 0.05 -1.43 0.01 0.00 0.12 0.00 0.00 56.93 55.68 3jx8 s PHE 201 Cb -0.13 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3jx8 s PHE 201 CO -0.08 -0.68 -0.06 -0.80 -0.10 0.00 0.00 175.22 173.50 3jx8 s ASN 202 N 1.01 1.47 -0.11 1.36 0.01 0.91 -0.48 114.94 119.09 3jx8 s ASN 202 Ca -0.02 -0.19 0.02 0.00 -0.71 0.00 0.00 52.86 51.96 3jx8 s ASN 202 Cb -0.15 -0.61 0.01 0.00 0.41 0.00 0.00 41.25 40.92 3jx8 s ASN 202 CO -0.06 -0.07 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.59 3jx8 s VAL 203 N 1.17 1.69 -0.48 1.60 1.01 0.04 -0.70 120.40 124.74 3jx8 s VAL 203 Ca -0.06 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3jx8 s VAL 203 Cb -0.14 -1.52 0.13 0.00 0.00 0.00 0.00 36.38 34.84 3jx8 s VAL 203 CO -0.01 0.48 0.23 0.00 0.00 0.00 0.00 175.10 175.79 3jx8 s ALA 204 N 0.86 3.01 0.00 5.51 0.00 0.34 -0.38 121.76 131.11 3jx8 s ALA 204 Ca -0.08 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.85 3jx8 s ALA 204 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3jx8 s ALA 204 CO -0.00 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.19 3jx8 n GLY 205 N 3.36 0.94 0.56 0.00 0.00 -0.68 -1.54 105.19 107.83 3jx8 n GLY 205 Ca 0.05 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 1.94 -2.61 1.61 3.41 -1.09 -0.67 113.62 116.20 3jx8 n SER 206 Ca 0.00 -1.50 -0.04 0.00 -0.26 0.00 0.00 58.87 57.07 3jx8 n SER 206 Cb 0.00 0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.33 -2.39 2.94 5.00 0.00 -0.21 -4.34 105.19 107.52 3jx8 n GLY 207 Ca 0.13 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.33 0.11 -0.20 1.61 2.12 -0.45 -1.58 118.70 116.98 3jx8 s GLU 208 Ca 0.09 0.33 -0.08 0.00 0.36 0.00 0.00 54.97 55.67 3jx8 s GLU 208 Cb -0.01 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 3jx8 s GLU 208 CO 0.07 -0.13 0.09 0.42 -0.54 0.00 0.00 175.26 175.17 3jx8 s ILE 209 N 0.91 4.95 -0.32 -3.70 1.01 0.06 -1.72 121.20 122.40 3jx8 s ILE 209 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 3jx8 s ILE 209 Cb -0.09 -3.26 0.05 0.00 0.01 0.00 0.00 42.46 39.17 3jx8 s ILE 209 CO -0.05 0.42 0.05 -0.54 0.00 0.00 0.00 174.94 174.83 3jx8 s LYS 210 N 0.61 2.48 0.00 2.79 1.02 0.59 -1.48 119.74 125.75 3jx8 s LYS 210 Ca 0.05 -1.26 0.15 0.00 0.02 0.00 0.00 55.97 54.93 3jx8 s LYS 210 Cb -0.13 -3.30 0.25 0.00 -0.52 0.00 0.00 37.83 34.13 3jx8 s LYS 210 CO 0.01 -0.66 1.10 0.00 -0.92 0.00 0.00 175.35 174.88 3jx8 n ALA 211 N 4.69 2.22 0.15 5.17 0.00 0.28 -1.70 120.51 131.32 3jx8 n ALA 211 Ca -0.12 -1.77 0.04 0.00 0.00 0.00 0.00 53.44 51.59 3jx8 n ALA 211 Cb 0.44 -0.63 0.47 0.00 0.00 0.00 0.00 19.45 19.72 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 0.58 0.20 -0.73 0.00 0.04 -1.77 -2.15 116.94 113.10 3jx8 h PHE 212 Ca -0.14 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.39 3jx8 h PHE 212 Cb 1.69 -0.06 -0.14 0.00 2.20 0.00 0.00 35.95 39.64 3jx8 h PHE 212 CO 0.14 0.25 0.28 -0.25 -0.60 0.00 0.00 178.31 178.13 3jx8 n ASP 213 N -4.38 4.68 -4.13 2.17 8.00 -1.26 -4.57 116.55 117.06 3jx8 n ASP 213 Ca -0.01 -3.27 -0.36 0.00 0.71 0.00 0.00 54.79 51.87 3jx8 n ASP 213 Cb 0.19 -0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.16 3.72 -0.07 0.00 0.74 0.07 -4.28 119.66 121.01 3jx8 s GLN 215 Ca 0.06 0.62 -0.03 0.00 0.05 0.00 0.00 55.36 56.06 3jx8 s GLN 215 Cb -0.22 -3.91 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 3jx8 s GLN 215 CO -0.04 -1.38 0.10 0.00 -0.55 0.00 0.00 175.29 173.42 3jx8 s ALA 216 N 4.52 3.67 -0.06 1.58 0.00 -0.49 -1.19 121.76 129.79 3jx8 s ALA 216 Ca 0.49 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 3jx8 s ALA 216 Cb -0.08 -1.74 -0.16 0.00 0.00 0.00 0.00 23.12 21.14 3jx8 s ALA 216 CO 0.31 0.65 0.83 -0.09 0.00 0.00 0.00 175.76 177.46 3jx8 h ARG 217 N 4.62 -0.15 -5.92 0.00 2.43 -1.15 0.14 114.38 114.36 3jx8 h ARG 217 Ca -0.52 0.01 -0.69 0.00 -0.81 0.00 0.00 59.98 57.98 3jx8 h ARG 217 Cb 1.20 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 30.47 3jx8 h ARG 217 CO 0.60 0.33 -0.88 0.15 -1.51 0.00 0.00 179.97 178.66 3jx8 s LYS 218 N -3.18 2.63 0.01 0.20 1.02 -0.60 -0.65 119.74 119.17 3jx8 s LYS 218 Ca -0.13 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 54.98 3jx8 s LYS 218 Cb 0.00 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3jx8 s LYS 218 CO 0.49 0.36 -0.05 0.00 -0.92 0.00 0.00 175.35 175.22 3jx8 s ALA 219 N -0.10 0.39 -0.14 5.17 0.00 -0.25 -0.97 121.76 125.86 3jx8 s ALA 219 Ca -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 3jx8 s ALA 219 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3jx8 s ALA 219 CO 0.04 0.06 -0.13 -2.00 0.00 0.00 0.00 175.76 173.74 3jx8 s GLU 220 N -0.43 3.36 -0.12 0.00 2.12 -0.17 -0.83 118.70 122.63 3jx8 s GLU 220 Ca -0.01 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.64 3jx8 s GLU 220 Cb -0.04 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.71 3jx8 s GLU 220 CO -0.00 0.15 -0.17 0.00 -0.54 0.00 0.00 175.26 174.70 3jx8 s ASN 222 N 1.06 1.85 -0.07 0.00 0.01 0.36 -0.49 114.94 117.66 3jx8 s ASN 222 Ca -0.04 -0.31 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 3jx8 s ASN 222 Cb -0.15 -0.86 0.01 0.00 0.41 0.00 0.00 41.25 40.66 3jx8 s ASN 222 CO -0.04 0.04 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.81 3jx8 s ILE 223 N 0.66 1.39 -0.20 0.60 1.01 -0.25 -0.78 121.20 123.63 3jx8 s ILE 223 Ca -0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3jx8 s ILE 223 Cb -0.16 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3jx8 s ILE 223 CO 0.04 0.41 -0.11 0.00 0.00 0.00 0.00 174.94 175.28 3jx8 s ALA 224 N 0.54 2.60 0.00 9.38 0.00 0.49 -0.62 121.76 134.15 3jx8 s ALA 224 Ca -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3jx8 s ALA 224 Cb -0.16 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3jx8 s ALA 224 CO 0.05 -0.33 0.00 0.45 0.00 0.00 0.00 175.76 175.93 3jx8 n SER 225 N 4.60 0.00 -1.08 0.00 2.88 0.24 -1.68 113.62 118.58 3jx8 n SER 225 Ca -0.19 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.45 3jx8 n SER 225 Cb 0.51 0.00 0.24 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 3.84 3.48 -2.91 -3.46 3.41 -1.22 -1.14 113.62 115.63 3jx8 n SER 226 Ca 0.00 -1.97 -0.12 0.00 -0.26 0.00 0.00 58.87 56.52 3jx8 n SER 226 Cb 0.00 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.26 -2.35 3.06 5.00 0.00 0.16 -4.30 105.19 108.02 3jx8 n GLY 227 Ca 0.19 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.05 0.24 -0.04 1.61 2.12 -0.61 -1.65 118.70 116.31 3jx8 s GLU 228 Ca 0.29 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.80 3jx8 s GLU 228 Cb -0.02 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.49 3jx8 s GLU 228 CO 0.22 -0.04 -0.08 0.42 -0.54 0.00 0.00 175.26 175.24 3jx8 s ILE 229 N -0.10 0.79 -0.25 -3.70 1.01 -0.68 -0.76 121.20 117.51 3jx8 s ILE 229 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 3jx8 s ILE 229 Cb -0.02 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.72 3jx8 s ILE 229 CO 0.00 0.27 -0.00 -0.44 0.00 0.00 0.00 174.94 174.77 3jx8 s SER 230 N 0.52 4.60 0.09 3.58 0.01 -0.55 -1.19 113.70 120.76 3jx8 s SER 230 Ca -0.09 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 56.64 3jx8 s SER 230 Cb -0.12 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 3jx8 s SER 230 CO 0.01 -0.10 -0.19 0.54 0.41 0.00 0.00 173.24 173.91 3jx8 s VAL 231 N 1.45 1.57 -0.24 3.43 0.11 0.05 -0.55 120.40 126.22 3jx8 s VAL 231 Ca 0.03 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 3jx8 s VAL 231 Cb -0.16 -1.44 0.06 0.00 -1.53 0.00 0.00 36.38 33.32 3jx8 s VAL 231 CO -0.01 -0.06 -0.04 -0.47 -3.33 0.00 0.00 175.10 171.18 3jx8 s TYR 232 N -1.14 2.30 -0.05 1.54 5.04 -1.23 -1.36 117.35 122.44 3jx8 s TYR 232 Ca 0.05 -1.72 0.04 0.00 -2.44 0.00 0.00 57.07 52.99 3jx8 s TYR 232 Cb -0.10 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.63 3jx8 s TYR 232 CO 0.04 -0.77 -0.15 0.00 -1.34 0.00 0.00 175.55 173.32 3jx8 s ALA 233 N 1.43 1.42 -0.10 3.97 0.00 -1.12 -1.39 121.76 125.96 3jx8 s ALA 233 Ca -0.04 -0.60 0.15 0.00 0.00 0.00 0.00 51.96 51.47 3jx8 s ALA 233 Cb -0.19 -0.52 -0.24 0.00 0.00 0.00 0.00 23.12 22.18 3jx8 s ALA 233 CO -0.07 0.22 0.43 0.25 0.00 0.00 0.00 175.76 176.59 3jx8 n THR 234 N 3.36 1.53 -0.01 0.00 -2.24 0.49 -3.52 114.28 113.89 3jx8 n THR 234 Ca -0.19 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 60.73 3jx8 n THR 234 Cb 0.53 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.94 0.09 -4.43 -0.78 7.27 0.18 -3.37 117.38 113.41 3jx8 n GLN 235 Ca -0.23 0.04 -0.22 0.00 0.07 0.00 0.00 57.00 56.66 3jx8 n GLN 235 Cb 1.09 -0.66 -0.16 0.00 2.41 0.00 0.00 30.24 32.92 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 -2.11 0.87 -0.07 1.69 -1.09 -0.93 -0.86 121.20 118.70 3jx8 s ILE 236 Ca -0.06 -0.38 -0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3jx8 s ILE 236 Cb 0.02 -0.79 0.02 0.00 -1.58 0.00 0.00 42.46 40.13 3jx8 s ILE 236 CO 0.08 0.28 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.81 3jx8 s LEU 237 N 0.40 1.00 -0.32 2.97 2.96 -0.50 -1.09 118.68 124.11 3jx8 s LEU 237 Ca -0.07 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3jx8 s LEU 237 Cb -0.11 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 46.06 3jx8 s LEU 237 CO 0.01 -0.12 0.04 -0.62 -1.32 0.00 0.00 176.35 174.34 3jx8 s ASP 238 N 1.53 5.06 -0.26 3.68 2.15 -0.01 -0.24 116.67 128.59 3jx8 s ASP 238 Ca -0.01 -1.22 -0.01 0.00 0.43 0.00 0.00 52.55 51.74 3jx8 s ASP 238 Cb -0.13 -1.78 0.04 0.00 -0.30 0.00 0.00 42.92 40.75 3jx8 s ASP 238 CO -0.04 -0.29 -0.06 0.00 -0.17 0.00 0.00 175.17 174.62 3jx8 s ALA 239 N 1.31 2.70 -0.06 3.66 0.00 0.39 0.02 121.76 129.78 3jx8 s ALA 239 Ca -0.04 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.38 3jx8 s ALA 239 Cb -0.20 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3jx8 s ALA 239 CO 0.01 -0.95 -0.11 -0.80 0.00 0.00 0.00 175.76 173.91 3jx8 s ASN 240 N 1.28 1.68 -0.04 0.00 0.01 0.35 -0.52 114.94 117.71 3jx8 s ASN 240 Ca -0.02 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3jx8 s ASN 240 Cb -0.18 -0.77 0.02 0.00 0.41 0.00 0.00 41.25 40.73 3jx8 s ASN 240 CO -0.04 0.01 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.91 3jx8 s ILE 241 N 0.75 0.36 -0.36 0.60 1.01 0.28 -1.09 121.20 122.76 3jx8 s ILE 241 Ca -0.13 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3jx8 s ILE 241 Cb -0.15 -0.42 0.10 0.00 0.01 0.00 0.00 42.46 42.00 3jx8 s ILE 241 CO 0.03 0.19 0.08 -0.69 0.00 0.00 0.00 174.94 174.55 3jx8 s VAL 242 N 0.97 2.05 -3.58 2.92 1.01 0.20 -4.08 120.40 119.90 3jx8 s VAL 242 Ca -0.10 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.58 3jx8 s VAL 242 Cb -0.14 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3jx8 s VAL 242 CO -0.01 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.06 3jx8 n GLY 243 N 4.22 0.70 0.97 4.51 0.00 -1.26 -0.60 105.19 113.74 3jx8 n GLY 243 Ca 0.03 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 3.04 -3.66 1.61 3.41 -0.94 -1.28 113.62 115.80 3jx8 n SER 244 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 3jx8 n SER 244 Cb 0.00 -0.02 0.28 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.95 1.46 -0.03 5.00 0.00 -0.29 -4.10 107.32 107.40 3jx8 s GLY 245 Ca 0.29 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 3jx8 s GLY 245 CO 0.30 0.21 0.08 -0.54 0.00 0.00 0.00 173.10 173.15 3jx8 s GLU 246 N -5.03 0.08 -0.18 2.90 2.02 -0.66 -1.75 118.70 116.08 3jx8 s GLU 246 Ca 0.69 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 3jx8 s GLU 246 Cb -0.14 0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.10 3jx8 s GLU 246 CO 0.59 -0.03 -0.11 0.42 0.02 0.00 0.00 175.26 176.15 3jx8 s ILE 247 N 0.15 2.94 -0.16 -1.63 1.01 -0.58 -1.69 121.20 121.23 3jx8 s ILE 247 Ca -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3jx8 s ILE 247 Cb -0.02 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3jx8 s ILE 247 CO -0.00 0.49 -0.08 -1.00 0.00 0.00 0.00 174.94 174.35 3jx8 s HIS 248 N 0.99 2.92 0.09 3.97 3.76 -0.34 -0.85 115.29 125.84 3jx8 s HIS 248 Ca -0.01 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 3jx8 s HIS 248 Cb -0.15 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 3jx8 s HIS 248 CO -0.02 -0.21 -0.12 1.52 -0.85 0.00 0.00 174.74 175.06 3jx8 s TYR 249 N 0.58 1.14 0.29 1.40 1.13 0.27 -0.77 117.35 121.39 3jx8 s TYR 249 Ca -0.05 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.08 3jx8 s TYR 249 Cb -0.15 -0.63 -0.06 0.00 -1.10 0.00 0.00 41.96 40.03 3jx8 s TYR 249 CO 0.03 0.04 0.08 -1.59 -2.51 0.00 0.00 175.55 171.60 3jx8 s LYS 250 N -2.31 1.53 0.00 -3.49 -2.85 -0.46 -0.14 119.74 112.02 3jx8 s LYS 250 Ca 0.02 -1.84 0.00 0.00 -1.00 0.00 0.00 55.97 53.15 3jx8 s LYS 250 Cb -0.06 -0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.18 3jx8 s LYS 250 CO 0.01 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3jx8 n GLY 251 N -0.58 0.16 2.67 0.59 0.00 -1.26 -2.81 105.19 103.96 3jx8 n GLY 251 Ca -0.01 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.24 3.91 -4.56 1.61 8.00 -1.25 -4.97 116.55 119.04 3jx8 n ASP 252 Ca 0.00 -3.54 -0.29 0.00 0.71 0.00 0.00 54.79 51.67 3jx8 n ASP 252 Cb 0.00 -0.53 0.16 0.00 -0.02 0.00 0.00 41.12 40.73 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 -3.36 0.64 -0.22 -0.24 0.04 -1.22 -4.74 135.00 125.90 3jx8 s PRO 253 Ca 0.46 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.44 3jx8 s PRO 253 Cb 0.35 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 33.09 3jx8 s PRO 253 CO -0.14 -2.52 0.82 -1.21 0.04 0.00 0.00 177.00 174.00 3jx8 s GLU 254 N -5.32 4.21 -0.16 4.56 2.02 -0.04 -4.90 118.70 119.08 3jx8 s GLU 254 Ca 0.66 0.95 -0.08 0.00 0.02 0.00 0.00 54.97 56.52 3jx8 s GLU 254 Cb -0.13 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 3jx8 s GLU 254 CO 0.54 -0.46 0.11 -1.50 0.02 0.00 0.00 175.26 173.98 3jx8 s ILE 255 N 2.62 5.28 -0.23 -1.63 2.07 -1.26 -1.41 121.20 126.64 3jx8 s ILE 255 Ca 0.35 0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.65 3jx8 s ILE 255 Cb -0.16 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 3jx8 s ILE 255 CO 0.09 0.52 0.09 -0.44 -1.91 0.00 0.00 174.94 173.29 3jx8 s SER 256 N -0.23 5.50 -0.09 4.50 0.01 0.67 -4.98 113.70 119.08 3jx8 s SER 256 Ca 0.10 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 3jx8 s SER 256 Cb -0.12 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 3jx8 s SER 256 CO 0.01 0.04 -0.00 -0.54 0.41 0.00 0.00 173.24 173.15 3jx8 s LYS 257 N 1.21 3.07 -0.20 12.44 1.02 -1.26 -0.46 119.74 135.55 3jx8 s LYS 257 Ca 0.05 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 3jx8 s LYS 257 Cb -0.14 -2.80 0.10 0.00 -0.52 0.00 0.00 37.83 34.46 3jx8 s LYS 257 CO 0.04 0.64 0.35 0.45 -0.92 0.00 0.00 175.35 175.91 3jx8 s SER 258 N -0.72 0.25 0.41 2.83 0.15 0.32 -4.97 113.70 111.98 3jx8 s SER 258 Ca 0.11 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.27 3jx8 s SER 258 Cb -0.12 1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 3jx8 s SER 258 CO 0.02 -0.27 0.14 -0.38 1.20 0.00 0.00 173.24 173.95 3jx8 n ILE 259 N 5.36 0.00 -3.52 6.45 5.41 -1.26 -0.56 119.36 131.24 3jx8 n ILE 259 Ca -0.06 -2.34 0.00 0.00 1.00 0.00 0.00 62.75 61.35 3jx8 n ILE 259 Cb 0.50 0.83 0.00 0.00 -0.71 0.00 0.00 39.64 40.25 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 -0.76 -0.39 0.44 7.39 0.00 -1.26 -5.00 105.19 105.61 3jx8 n GLY 261 Ca -0.06 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 1.34 -3.35 1.61 3.41 -1.09 -4.92 113.62 107.32 3jx8 n SER 262 Ca 0.00 -1.58 -0.27 0.00 -0.26 0.00 0.00 58.87 56.76 3jx8 n SER 262 Cb 0.00 -0.06 0.24 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.10 -3.24 3.41 5.00 0.00 -0.40 -4.85 105.19 106.20 3jx8 n GLY 263 Ca 0.17 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.70 -0.50 -0.08 1.61 1.04 -0.72 -4.98 113.70 106.38 3jx8 s SER 264 Ca 0.63 0.15 0.04 0.00 0.48 0.00 0.00 55.95 57.26 3jx8 s SER 264 Cb -0.08 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 3jx8 s SER 264 CO 0.50 -0.80 -0.21 -0.63 0.98 0.00 0.00 173.24 173.08 3jx8 s ILE 265 N -2.83 2.39 -0.03 -1.02 1.01 -1.26 -1.53 121.20 117.94 3jx8 s ILE 265 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3jx8 s ILE 265 Cb -0.00 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3jx8 s ILE 265 CO -0.05 0.56 0.09 0.54 0.00 0.00 0.00 174.94 176.08 3jx8 s ASN 266 N -0.05 -0.07 -0.13 3.58 4.22 -0.02 -4.98 114.94 117.48 3jx8 s ASN 266 Ca -0.06 0.11 -0.15 0.00 -2.14 0.00 0.00 52.86 50.63 3jx8 s ASN 266 Cb -0.14 0.19 -0.05 0.00 1.28 0.00 0.00 41.25 42.52 3jx8 s ASN 266 CO 0.05 -0.07 0.35 -0.75 -2.04 0.00 0.00 177.10 174.63 3jx8 s LYS 267 N -0.15 4.22 0.21 3.55 2.20 -1.26 -0.56 119.74 127.95 3jx8 s LYS 267 Ca -0.02 0.21 0.11 0.00 -0.36 0.00 0.00 55.97 55.92 3jx8 s LYS 267 Cb -0.02 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3jx8 s LYS 267 CO 0.00 0.28 -0.23 0.14 -0.36 0.00 0.00 175.35 175.18 3jx8 s VAL 268 N 0.31 2.37 -2.00 4.02 -7.23 0.80 -4.91 120.40 113.74 3jx8 s VAL 268 Ca 0.20 -2.11 0.23 0.00 -1.81 0.00 0.00 61.98 58.49 3jx8 s VAL 268 Cb -0.14 -2.16 0.66 0.00 0.56 0.00 0.00 36.38 35.31 3jx8 s VAL 268 CO 0.06 -0.19 1.76 2.29 -0.31 0.00 0.00 175.10 178.72