#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hj3 s PRO 27 N 0.00 1.48 -0.24 3.49 0.04 -1.26 -4.95 135.00 133.56 1hj3 s PRO 27 Ca 0.00 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1hj3 s PRO 27 Cb 0.00 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.79 1hj3 s PRO 27 CO 0.00 -2.19 -0.09 0.45 0.04 0.00 0.00 177.00 175.22 1hj3 s SER 28 N -3.15 3.95 -1.29 6.66 0.15 -1.26 -3.70 113.70 115.07 1hj3 s SER 28 Ca 0.64 -1.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 1hj3 s SER 28 Cb -0.19 -1.32 0.16 0.00 -1.71 0.00 0.00 66.02 62.96 1hj3 s SER 28 CO 0.57 -0.20 1.90 0.18 1.20 0.00 0.00 173.24 176.90 1hj3 n LEU 29 N 4.59 6.71 -0.21 3.45 4.32 -1.19 -4.75 117.00 129.93 1hj3 n LEU 29 Ca -0.13 -4.64 0.07 0.00 -0.02 0.00 0.00 56.01 51.29 1hj3 n LEU 29 Cb 0.44 -1.48 0.34 0.00 -1.62 0.00 0.00 43.42 41.10 1hj3 n LEU 29 CO 0.20 1.40 0.73 -0.90 -1.22 0.00 0.00 177.39 177.59 1hj3 n ASP 30 N 3.86 0.61 -0.07 -1.43 5.75 -1.26 -3.34 116.55 120.67 1hj3 n ASP 30 Ca 0.41 -1.69 -0.07 0.00 -0.01 0.00 0.00 54.79 53.43 1hj3 n ASP 30 Cb 0.36 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 40.24 1hj3 n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1hj3 n ASN 31 N -0.31 0.21 0.21 -1.12 2.85 -1.26 -4.13 115.26 111.71 1hj3 n ASN 31 Ca 0.11 0.10 0.10 0.00 -0.11 0.00 0.00 54.58 54.78 1hj3 n ASN 31 Cb 0.14 0.85 0.26 0.00 1.24 0.00 0.00 39.78 42.27 1hj3 n ASN 31 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1hj3 h LEU 32 N 0.00 0.00 -1.36 1.20 3.38 -1.79 -3.24 115.31 113.50 1hj3 h LEU 32 Ca -0.43 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1hj3 h LEU 32 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1hj3 h LEU 32 CO 0.04 0.15 -0.32 0.00 0.09 0.00 0.00 178.44 178.40 1hj3 h ALA 33 N 1.85 1.40 0.00 1.53 0.00 -1.72 -2.80 119.26 119.52 1hj3 h ALA 33 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hj3 h ALA 33 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1hj3 h ALA 33 CO 0.02 0.40 0.00 -0.56 0.00 0.00 0.00 179.25 179.11 1hj3 h GLN 34 N 0.00 0.00 -6.48 0.00 3.07 -1.75 -3.40 115.11 106.55 1hj3 h GLN 34 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.20 1hj3 h GLN 34 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.17 1hj3 h GLN 34 CO 0.04 0.00 0.90 -1.14 0.09 0.00 0.00 178.83 178.72 1hj3 s GLN 35 N -3.52 4.24 -0.20 0.06 0.74 -1.06 -4.98 119.66 114.93 1hj3 s GLN 35 Ca 0.03 2.22 -0.18 0.00 0.05 0.00 0.00 55.36 57.48 1hj3 s GLN 35 Cb 0.08 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 1hj3 s GLN 35 CO 0.56 -0.63 0.51 0.34 -0.55 0.00 0.00 175.29 175.53 1hj3 s ASP 36 N 1.82 6.55 0.34 6.67 2.15 -1.26 -4.90 116.67 128.04 1hj3 s ASP 36 Ca 0.70 0.66 0.09 0.00 0.43 0.00 0.00 52.55 54.43 1hj3 s ASP 36 Cb -0.38 -2.29 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1hj3 s ASP 36 CO 0.31 -0.18 0.08 0.68 -0.17 0.00 0.00 175.17 175.89 1hj3 s VAL 37 N 1.63 2.86 0.31 1.11 -7.23 -1.26 -5.14 120.40 112.68 1hj3 s VAL 37 Ca 0.24 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1hj3 s VAL 37 Cb -0.15 -2.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 1hj3 s VAL 37 CO 0.09 -0.19 0.60 0.00 -0.31 0.00 0.00 175.10 175.29 1hj3 s ALA 38 N -2.46 3.57 -0.08 1.32 0.00 -1.26 -4.68 121.76 118.16 1hj3 s ALA 38 Ca 0.36 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1hj3 s ALA 38 Cb -0.01 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1hj3 s ALA 38 CO 0.21 0.20 1.30 0.00 0.00 0.00 0.00 175.76 177.47 1hj3 s ALA 39 N -2.14 3.58 1.05 0.00 0.00 -1.26 -4.93 121.76 118.06 1hj3 s ALA 39 Ca 0.45 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1hj3 s ALA 39 Cb -0.11 -3.59 0.21 0.00 0.00 0.00 0.00 23.12 19.64 1hj3 s ALA 39 CO 0.30 -0.99 1.13 -1.25 0.00 0.00 0.00 175.76 174.96 1hj3 s PRO 40 N 2.84 0.01 0.63 0.00 0.04 -1.26 -4.99 135.00 132.27 1hj3 s PRO 40 Ca 0.59 0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 1hj3 s PRO 40 Cb -0.26 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1hj3 s PRO 40 CO 0.21 -2.93 0.98 0.20 0.04 0.00 0.00 177.00 175.50 1hj3 s GLY 41 N -3.90 1.61 -0.16 0.56 0.00 -1.26 -4.79 107.32 99.39 1hj3 s GLY 41 Ca 0.68 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1hj3 s GLY 41 CO 0.56 -0.21 -0.20 0.00 0.00 0.00 0.00 173.10 173.24 1hj3 s ALA 42 N -3.13 2.25 1.12 3.20 0.00 -1.26 -4.57 121.76 119.36 1hj3 s ALA 42 Ca 0.55 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1hj3 s ALA 42 Cb -0.11 -1.08 0.25 0.00 0.00 0.00 0.00 23.12 22.18 1hj3 s ALA 42 CO 0.48 -0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.87 1hj3 s PRO 43 N 1.09 -0.54 0.15 0.00 0.04 -1.26 -4.87 135.00 129.61 1hj3 s PRO 43 Ca -0.01 0.28 -0.32 0.00 0.04 0.00 0.00 61.00 61.00 1hj3 s PRO 43 Cb -0.14 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 1hj3 s PRO 43 CO -0.08 -3.33 1.75 -1.91 0.04 0.00 0.00 177.00 173.47 1hj3 n GLU 44 N -4.55 2.64 -0.21 4.56 2.13 -1.26 -2.53 120.64 121.42 1hj3 n GLU 44 Ca 0.08 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1hj3 n GLU 44 Cb 0.58 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1hj3 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hj3 n GLY 45 N 3.98 0.89 2.93 8.31 0.00 -1.26 -5.06 105.19 114.98 1hj3 n GLY 45 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1hj3 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hj3 s VAL 46 N -2.00 0.19 0.37 1.61 1.01 -1.05 -5.14 120.40 115.40 1hj3 s VAL 46 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1hj3 s VAL 46 Cb 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 1hj3 s VAL 46 CO 0.00 -0.06 0.79 -0.44 0.00 0.00 0.00 175.10 175.39 1hj3 s SER 47 N -0.36 6.72 0.28 3.32 0.01 -1.26 -4.60 113.70 117.81 1hj3 s SER 47 Ca -0.02 1.31 -0.07 0.00 1.31 0.00 0.00 55.95 58.48 1hj3 s SER 47 Cb -0.03 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1hj3 s SER 47 CO -0.00 -0.30 0.57 0.00 0.41 0.00 0.00 173.24 173.92 1hj3 s ALA 48 N -2.15 3.58 0.08 1.44 0.00 -1.26 -4.87 121.76 118.58 1hj3 s ALA 48 Ca 0.55 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1hj3 s ALA 48 Cb -0.10 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1hj3 s ALA 48 CO 0.21 0.31 0.10 -0.51 0.00 0.00 0.00 175.76 175.88 1hj3 s LEU 49 N -3.32 3.90 1.13 0.00 1.43 -1.26 -5.09 118.68 115.47 1hj3 s LEU 49 Ca 0.46 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1hj3 s LEU 49 Cb -0.11 -2.57 0.25 0.00 0.03 0.00 0.00 46.19 43.80 1hj3 s LEU 49 CO 0.27 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 177.15 1hj3 s SER 50 N -2.44 1.44 0.11 2.29 1.04 -1.26 -4.71 113.70 110.16 1hj3 s SER 50 Ca 0.30 1.02 -0.24 0.00 0.48 0.00 0.00 55.95 57.51 1hj3 s SER 50 Cb -0.12 -1.56 -0.09 0.00 0.10 0.00 0.00 66.02 64.35 1hj3 s SER 50 CO 0.23 -3.85 1.68 0.44 0.98 0.00 0.00 173.24 172.72 1hj3 h ASP 51 N -2.39 -0.38 -0.19 7.02 3.32 -1.96 0.28 116.42 122.13 1hj3 h ASP 51 Ca -0.52 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1hj3 h ASP 51 Cb 1.32 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1hj3 h ASP 51 CO 0.47 -0.19 0.12 0.00 -1.72 0.00 0.00 179.24 177.92 1hj3 h ALA 52 N 0.68 0.24 -0.45 3.45 0.00 -1.95 -0.15 119.26 121.08 1hj3 h ALA 52 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1hj3 h ALA 52 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hj3 h ALA 52 CO -0.11 -0.28 0.28 1.96 0.00 0.00 0.00 179.25 181.11 1hj3 h GLN 53 N 0.25 0.61 -0.51 0.00 4.20 -1.89 -0.65 115.11 117.12 1hj3 h GLN 53 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1hj3 h GLN 53 Cb -0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1hj3 h GLN 53 CO -0.01 0.43 0.19 -0.92 -0.67 0.00 0.00 178.83 177.84 1hj3 h TYR 54 N 0.60 0.79 -0.72 2.96 3.20 -0.72 -1.07 116.97 122.02 1hj3 h TYR 54 Ca 0.16 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1hj3 h TYR 54 Cb -0.02 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1hj3 h TYR 54 CO -0.04 0.67 0.27 -0.91 -1.64 0.00 0.00 178.16 176.52 1hj3 h ASN 55 N 0.69 1.01 -0.77 -2.11 2.35 -0.85 0.31 115.58 116.21 1hj3 h ASN 55 Ca 0.17 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1hj3 h ASN 55 Cb 0.23 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1hj3 h ASN 55 CO -0.01 0.92 0.36 -0.08 -1.65 0.00 0.00 177.43 176.97 1hj3 h GLU 56 N 1.04 1.12 -0.19 0.81 4.81 -0.94 -1.18 114.58 120.06 1hj3 h GLU 56 Ca 0.24 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1hj3 h GLU 56 Cb 0.24 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1hj3 h GLU 56 CO -0.02 0.87 -0.57 0.00 -0.73 0.00 0.00 179.01 178.57 1hj3 h ALA 57 N 1.28 0.65 -0.35 2.92 0.00 -0.64 -2.70 119.26 120.41 1hj3 h ALA 57 Ca 0.27 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1hj3 h ALA 57 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hj3 h ALA 57 CO -0.03 0.69 0.10 -0.97 0.00 0.00 0.00 179.25 179.04 1hj3 h ASN 58 N 0.45 0.52 -0.37 0.00 -0.73 0.04 0.11 115.58 115.60 1hj3 h ASN 58 Ca 0.00 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.96 1hj3 h ASN 58 Cb 1.12 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 1hj3 h ASN 58 CO 0.11 0.60 0.24 0.11 -0.37 0.00 0.00 177.43 178.12 1hj3 h LYS 59 N 0.42 0.49 -0.63 6.67 1.57 -1.22 -1.66 116.57 122.21 1hj3 h LYS 59 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1hj3 h LYS 59 Cb 0.28 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1hj3 h LYS 59 CO -0.00 0.34 0.40 0.82 -0.57 0.00 0.00 179.45 180.44 1hj3 h ILE 60 N 0.50 1.17 -0.62 1.86 2.04 -1.33 -0.56 117.51 120.56 1hj3 h ILE 60 Ca 0.14 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1hj3 h ILE 60 Cb -0.04 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1hj3 h ILE 60 CO -0.03 0.17 0.32 0.22 0.00 0.00 0.00 178.15 178.83 1hj3 h TYR 61 N 0.85 0.59 0.09 1.37 3.20 -0.07 -0.52 116.97 122.48 1hj3 h TYR 61 Ca 0.23 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.85 1hj3 h TYR 61 Cb -0.07 -0.17 0.02 0.00 1.54 0.00 0.00 36.73 38.04 1hj3 h TYR 61 CO -0.03 0.27 -1.17 0.74 -1.64 0.00 0.00 178.16 176.33 1hj3 h PHE 62 N 0.60 0.79 -0.37 -3.82 0.04 -1.06 0.12 116.94 113.24 1hj3 h PHE 62 Ca 0.28 -0.50 -0.15 0.00 2.80 0.00 0.00 57.97 60.41 1hj3 h PHE 62 Cb 0.20 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1hj3 h PHE 62 CO -0.10 1.35 -0.35 0.93 -0.60 0.00 0.00 178.31 179.55 1hj3 h GLU 63 N 0.22 0.86 0.00 1.51 5.08 -0.96 -3.14 114.58 118.15 1hj3 h GLU 63 Ca -0.15 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1hj3 h GLU 63 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1hj3 h GLU 63 CO 0.21 1.07 -0.66 0.54 -1.00 0.00 0.00 179.01 179.17 1hj3 n ARG 64 N -4.06 2.75 -0.02 2.33 1.74 -0.22 -4.51 116.66 114.66 1hj3 n ARG 64 Ca -0.01 -0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.03 1hj3 n ARG 64 Cb 0.52 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 31.09 1hj3 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hj3 h ALA 66 N 0.07 1.51 -0.18 0.00 0.00 -1.29 -1.71 119.26 117.65 1hj3 h ALA 66 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1hj3 h ALA 66 Cb 1.18 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1hj3 h ALA 66 CO -0.01 0.14 -0.27 0.78 0.00 0.00 0.00 179.25 179.89 1hj3 h GLY 67 N 0.53 -0.29 1.23 0.00 0.00 -1.82 0.64 103.07 103.36 1hj3 h GLY 67 Ca -0.00 0.34 -0.31 0.00 0.00 0.00 0.00 47.33 47.36 1hj3 h GLY 67 CO 0.01 -0.21 -1.54 0.00 0.00 0.00 0.00 176.54 174.81 1hj3 n HIS 69 N -3.45 0.13 0.00 0.00 8.25 -0.65 0.22 115.22 119.72 1hj3 n HIS 69 Ca -0.16 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1hj3 n HIS 69 Cb 1.04 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1hj3 n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hj3 n GLY 70 N 1.43 -0.06 0.30 -1.41 0.00 0.22 -0.86 105.19 104.82 1hj3 n GLY 70 Ca 0.03 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 1hj3 n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hj3 h VAL 71 N 0.00 1.03 -0.21 1.61 2.07 -1.94 -1.90 116.25 116.91 1hj3 h VAL 71 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1hj3 h VAL 71 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1hj3 h VAL 71 CO 0.00 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1hj3 n LEU 72 N -4.66 1.74 -1.70 2.57 4.77 -1.26 -4.92 117.00 113.54 1hj3 n LEU 72 Ca 0.11 -0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 55.15 1hj3 n LEU 72 Cb 0.16 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1hj3 n LEU 72 CO 0.31 0.38 -0.20 0.54 -1.33 0.00 0.00 177.39 177.09 1hj3 n ARG 73 N 0.38 -1.35 0.04 3.23 1.74 -0.72 -4.83 116.66 115.15 1hj3 n ARG 73 Ca 0.15 1.02 0.13 0.00 -0.77 0.00 0.00 57.85 58.39 1hj3 n ARG 73 Cb 0.33 -5.40 0.43 0.00 -1.02 0.00 0.00 32.46 26.79 1hj3 n ARG 73 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hj3 n LYS 74 N -2.60 0.12 0.00 5.56 4.01 -1.20 -0.18 118.16 123.87 1hj3 n LYS 74 Ca -0.20 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1hj3 n LYS 74 Cb 0.63 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1hj3 n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hj3 n GLY 75 N 1.42 0.22 0.00 0.72 0.00 -0.04 -4.19 105.19 103.32 1hj3 n GLY 75 Ca 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1hj3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hj3 n ALA 76 N 1.42 1.44 -0.02 4.61 0.00 -0.73 -4.80 120.51 122.42 1hj3 n ALA 76 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1hj3 n ALA 76 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1hj3 n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1hj3 n THR 77 N -0.44 1.60 -3.64 0.00 -1.04 -0.53 -4.86 114.28 105.37 1hj3 n THR 77 Ca 0.00 -0.80 -0.27 0.00 -2.04 0.00 0.00 64.05 60.95 1hj3 n THR 77 Cb 0.00 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 1hj3 n THR 77 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1hj3 s GLY 78 N -5.12 1.70 0.97 3.41 0.00 0.13 -5.02 107.32 103.39 1hj3 s GLY 78 Ca -0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 1hj3 s GLY 78 CO 0.83 -0.80 1.12 0.54 0.00 0.00 0.00 173.10 174.79 1hj3 s LYS 79 N -3.52 0.61 0.35 2.90 1.02 -1.26 -4.37 119.74 115.46 1hj3 s LYS 79 Ca 0.39 1.41 -0.28 0.00 0.02 0.00 0.00 55.97 57.50 1hj3 s LYS 79 Cb -0.11 -1.69 -0.10 0.00 -0.52 0.00 0.00 37.83 35.41 1hj3 s LYS 79 CO 0.30 -2.86 1.31 0.00 -0.92 0.00 0.00 175.35 173.18 1hj3 s ALA 80 N -2.61 3.45 -0.20 5.17 0.00 -1.26 -4.40 121.76 121.91 1hj3 s ALA 80 Ca 0.67 1.26 0.13 0.00 0.00 0.00 0.00 51.96 54.02 1hj3 s ALA 80 Cb -0.23 -3.48 0.44 0.00 0.00 0.00 0.00 23.12 19.84 1hj3 s ALA 80 CO 0.59 -0.69 1.20 1.28 0.00 0.00 0.00 175.76 178.15 1hj3 n LEU 81 N 0.66 2.92 -4.79 0.00 4.77 0.75 -4.89 117.00 116.42 1hj3 n LEU 81 Ca 0.01 -3.78 -0.34 0.00 -0.03 0.00 0.00 56.01 51.87 1hj3 n LEU 81 Cb 0.42 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1hj3 n LEU 81 CO 0.59 1.42 0.74 0.42 -1.33 0.00 0.00 177.39 179.23 1hj3 s THR 82 N -3.13 3.48 0.35 -5.08 -4.23 -1.18 -4.75 115.64 101.10 1hj3 s THR 82 Ca 0.40 0.80 0.10 0.00 -1.18 0.00 0.00 61.69 61.81 1hj3 s THR 82 Cb 0.38 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 71.25 1hj3 s THR 82 CO -0.06 -0.32 1.84 -0.65 -0.54 0.00 0.00 174.62 174.89 1hj3 h PRO 83 N 0.77 0.64 -0.68 3.99 0.11 -1.83 -0.40 132.00 134.59 1hj3 h PRO 83 Ca -0.48 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1hj3 h PRO 83 Cb 1.24 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1hj3 h PRO 83 CO 0.57 0.42 0.45 0.38 -0.21 0.00 0.00 178.00 179.61 1hj3 h ASP 84 N 0.66 0.74 0.19 -2.05 2.03 -1.93 -1.51 116.42 114.54 1hj3 h ASP 84 Ca 0.49 -0.01 -0.33 0.00 -0.73 0.00 0.00 57.03 56.45 1hj3 h ASP 84 Cb 0.87 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 39.21 1hj3 h ASP 84 CO -0.25 0.52 -1.63 -0.07 -1.03 0.00 0.00 179.24 176.78 1hj3 h LEU 85 N 0.86 0.62 -0.72 0.15 3.38 -1.49 -3.33 115.31 114.78 1hj3 h LEU 85 Ca 0.26 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 57.18 1hj3 h LEU 85 Cb -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1hj3 h LEU 85 CO -0.07 1.74 -0.43 0.71 0.09 0.00 0.00 178.44 180.49 1hj3 h THR 86 N 0.04 1.31 -0.14 0.22 1.35 -1.09 -2.87 112.91 111.72 1hj3 h THR 86 Ca -0.32 -1.60 -0.10 0.00 -0.55 0.00 0.00 66.41 63.84 1hj3 h THR 86 Cb 2.05 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 1hj3 h THR 86 CO 0.18 0.50 -0.35 0.03 -0.25 0.00 0.00 175.52 175.62 1hj3 h ARG 87 N 0.39 0.29 -0.52 4.72 3.08 -1.45 0.06 114.38 120.95 1hj3 h ARG 87 Ca 0.03 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1hj3 h ARG 87 Cb 0.91 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1hj3 h ARG 87 CO 0.08 0.62 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.10 1hj3 h ASP 88 N 0.25 0.91 -0.29 7.04 3.32 -1.65 -3.06 116.42 122.94 1hj3 h ASP 88 Ca 0.03 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.70 1hj3 h ASP 88 Cb 0.75 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1hj3 h ASP 88 CO 0.06 1.00 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.23 1hj3 h LEU 89 N 0.84 0.74 0.00 1.55 3.38 -1.25 -3.50 115.31 117.07 1hj3 h LEU 89 Ca 0.15 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1hj3 h LEU 89 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1hj3 h LEU 89 CO 0.03 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.23 1hj3 n GLY 90 N 0.15 0.38 0.21 0.83 0.00 -0.03 -4.41 105.19 102.34 1hj3 n GLY 90 Ca -0.04 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1hj3 n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1hj3 h PHE 91 N 0.00 -0.42 -0.54 1.61 3.57 -1.89 -2.29 116.94 116.98 1hj3 h PHE 91 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1hj3 h PHE 91 Cb 0.00 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1hj3 h PHE 91 CO 0.00 -0.24 0.20 -0.44 -2.23 0.00 0.00 178.31 175.60 1hj3 h ASP 92 N -0.17 0.21 -0.49 0.41 3.32 -1.99 0.18 116.42 117.89 1hj3 h ASP 92 Ca 0.12 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1hj3 h ASP 92 Cb 0.36 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1hj3 h ASP 92 CO -0.31 0.14 0.29 0.22 -1.72 0.00 0.00 179.24 177.86 1hj3 h TYR 93 N 0.39 0.66 -0.33 4.55 5.03 -1.70 -0.78 116.97 124.78 1hj3 h TYR 93 Ca 0.27 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 1hj3 h TYR 93 Cb 0.29 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1hj3 h TYR 93 CO -0.16 0.47 0.08 -0.07 -1.32 0.00 0.00 178.16 177.16 1hj3 h LEU 94 N 0.65 0.50 -0.41 2.82 3.38 -0.86 -0.42 115.31 120.97 1hj3 h LEU 94 Ca 0.17 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1hj3 h LEU 94 Cb 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1hj3 h LEU 94 CO -0.03 0.61 0.24 -0.61 0.09 0.00 0.00 178.44 178.74 1hj3 h GLN 95 N 0.37 0.47 -0.23 1.13 4.15 -0.50 -1.27 115.11 119.23 1hj3 h GLN 95 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1hj3 h GLN 95 Cb 0.31 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1hj3 h GLN 95 CO 0.00 0.31 0.06 1.03 -1.93 0.00 0.00 178.83 178.30 1hj3 h SER 96 N 0.48 0.34 -0.71 -0.69 0.87 -1.03 -0.61 113.55 112.19 1hj3 h SER 96 Ca 0.16 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1hj3 h SER 96 Cb 0.01 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1hj3 h SER 96 CO -0.08 0.47 0.23 0.15 -0.53 0.00 0.00 176.83 177.08 1hj3 h PHE 97 N 0.19 1.15 -0.11 2.24 3.04 -0.88 -0.03 116.94 122.54 1hj3 h PHE 97 Ca 0.07 -0.11 -0.12 0.00 3.98 0.00 0.00 57.97 61.79 1hj3 h PHE 97 Cb 0.26 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1hj3 h PHE 97 CO 0.01 0.91 -0.47 0.82 -2.02 0.00 0.00 178.31 177.56 1hj3 h ILE 98 N 1.07 1.33 0.15 1.41 2.04 -1.16 0.34 117.51 122.70 1hj3 h ILE 98 Ca 0.24 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1hj3 h ILE 98 Cb 0.29 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1hj3 h ILE 98 CO -0.01 0.50 -0.07 0.74 0.00 0.00 0.00 178.15 179.31 1hj3 h THR 99 N 0.23 0.92 0.00 -0.27 2.02 -0.46 -2.18 112.91 113.17 1hj3 h THR 99 Ca 0.01 -1.15 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 1hj3 h THR 99 Cb 0.91 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1hj3 h THR 99 CO 0.07 0.23 -1.98 -1.22 0.37 0.00 0.00 175.52 173.00 1hj3 n TYR 100 N -4.91 0.12 -4.60 3.16 4.01 -0.08 -2.05 117.16 112.79 1hj3 n TYR 100 Ca -0.08 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1hj3 n TYR 100 Cb 0.27 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 1hj3 n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hj3 n GLY 101 N 1.36 0.13 3.50 2.72 0.00 0.12 -4.40 105.19 108.62 1hj3 n GLY 101 Ca -0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1hj3 n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hj3 s SER 102 N -4.00 -0.50 0.26 1.61 0.15 -0.92 -4.87 113.70 105.44 1hj3 s SER 102 Ca 0.00 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.75 1hj3 s SER 102 Cb 0.00 0.62 1.00 0.00 -1.71 0.00 0.00 66.02 65.93 1hj3 s SER 102 CO 0.00 -1.04 1.69 -2.65 1.20 0.00 0.00 173.24 172.44 1hj3 n PRO 103 N -0.39 0.18 -1.36 5.44 -0.02 -1.26 -3.49 135.00 134.10 1hj3 n PRO 103 Ca -0.14 0.46 -0.26 0.00 -2.02 0.00 0.00 63.50 61.54 1hj3 n PRO 103 Cb 0.64 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 1hj3 n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hj3 n ALA 104 N -1.76 6.11 -0.73 3.55 0.00 -1.26 -4.79 120.51 121.62 1hj3 n ALA 104 Ca 0.01 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1hj3 n ALA 104 Cb 0.19 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1hj3 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hj3 n GLY 105 N 0.53 0.62 3.30 0.00 0.00 -1.25 -5.05 105.19 103.35 1hj3 n GLY 105 Ca 0.45 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 1hj3 n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hj3 s MET 106 N -0.43 2.86 0.64 1.61 -2.45 -1.23 -5.04 119.30 115.26 1hj3 s MET 106 Ca 0.00 -1.01 -0.18 0.00 -1.25 0.00 0.00 55.69 53.25 1hj3 s MET 106 Cb 0.00 -3.39 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 1hj3 s MET 106 CO 0.00 -0.54 1.11 -2.30 1.05 0.00 0.00 175.02 174.33 1hj3 n PRO 107 N 4.83 0.91 -2.92 4.11 -0.02 -1.26 -2.16 135.00 138.49 1hj3 n PRO 107 Ca -0.14 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.27 1hj3 n PRO 107 Cb 0.46 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1hj3 n PRO 107 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1hj3 n ASN 108 N -1.43 5.26 -0.34 2.55 6.94 -1.26 -4.08 115.26 122.90 1hj3 n ASN 108 Ca 0.15 -3.01 0.04 0.00 -0.02 0.00 0.00 54.58 51.74 1hj3 n ASN 108 Cb 0.48 -1.54 0.22 0.00 -2.36 0.00 0.00 39.78 36.58 1hj3 n ASN 108 CO 0.00 0.00 0.00 -0.50 -1.03 0.00 0.00 177.26 175.73 1hj3 h TRP 109 N 6.90 1.12 0.10 -2.53 4.06 -1.47 -2.18 115.95 121.95 1hj3 h TRP 109 Ca 0.31 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.29 1hj3 h TRP 109 Cb 0.84 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1hj3 h TRP 109 CO 1.08 0.57 -0.05 0.78 -3.56 0.00 0.00 178.44 177.26 1hj3 h GLY 110 N 1.08 -0.14 2.00 1.49 0.00 -1.32 -0.63 103.07 105.54 1hj3 h GLY 110 Ca 0.42 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1hj3 h GLY 110 CO -0.17 -0.05 0.00 -0.91 0.00 0.00 0.00 176.54 175.41 1hj3 h THR 111 N -0.96 0.00 0.00 4.70 1.35 -1.45 -2.18 112.91 114.36 1hj3 h THR 111 Ca -0.01 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1hj3 h THR 111 Cb 0.45 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1hj3 h THR 111 CO 0.02 0.00 -0.57 0.77 -0.25 0.00 0.00 175.52 175.49 1hj3 h SER 112 N 0.00 0.00 0.00 5.36 4.64 -1.54 -3.48 113.55 118.53 1hj3 h SER 112 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1hj3 h SER 112 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1hj3 h SER 112 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1hj3 n GLY 113 N 1.17 0.86 0.31 -0.77 0.00 -0.82 -4.93 105.19 101.01 1hj3 n GLY 113 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1hj3 n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hj3 h GLU 114 N 3.89 0.99 -6.06 1.61 4.57 -1.72 -3.39 114.58 114.47 1hj3 h GLU 114 Ca 0.00 -0.06 -0.68 0.00 -1.18 0.00 0.00 59.36 57.44 1hj3 h GLU 114 Cb 0.00 -0.22 -0.26 0.00 -0.16 0.00 0.00 28.75 28.11 1hj3 h GLU 114 CO 0.00 0.65 -0.80 -0.51 -1.18 0.00 0.00 179.01 177.17 1hj3 s LEU 115 N -10.17 2.55 1.00 1.64 1.43 -0.28 -5.05 118.68 109.80 1hj3 s LEU 115 Ca -0.13 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1hj3 s LEU 115 Cb 0.17 -1.52 0.19 0.00 0.03 0.00 0.00 46.19 45.06 1hj3 s LEU 115 CO 0.79 0.28 1.08 -0.94 0.23 0.00 0.00 176.35 177.79 1hj3 s SER 116 N -0.37 2.52 0.27 2.29 1.04 -1.26 -4.35 113.70 113.84 1hj3 s SER 116 Ca 0.03 1.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.78 1hj3 s SER 116 Cb -0.12 -2.04 0.34 0.00 0.10 0.00 0.00 66.02 64.29 1hj3 s SER 116 CO 0.02 -3.22 1.91 0.00 0.98 0.00 0.00 173.24 172.93 1hj3 h ALA 117 N -1.95 1.29 -0.57 5.32 0.00 -1.96 -0.77 119.26 120.61 1hj3 h ALA 117 Ca -0.54 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 1hj3 h ALA 117 Cb 1.32 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1hj3 h ALA 117 CO 0.55 0.60 -0.04 0.93 0.00 0.00 0.00 179.25 181.29 1hj3 h GLU 118 N 1.16 1.02 -0.29 0.00 4.39 -2.00 -2.59 114.58 116.25 1hj3 h GLU 118 Ca 0.30 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1hj3 h GLU 118 Cb -0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1hj3 h GLU 118 CO -0.05 1.02 -0.31 1.96 -1.16 0.00 0.00 179.01 180.47 1hj3 h GLN 119 N 0.92 0.62 -0.19 2.33 4.20 -1.75 -1.23 115.11 120.01 1hj3 h GLN 119 Ca 0.16 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1hj3 h GLN 119 Cb 0.59 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1hj3 h GLN 119 CO 0.04 0.85 0.05 0.28 -0.67 0.00 0.00 178.83 179.38 1hj3 h VAL 120 N 0.53 0.93 -0.82 -0.54 2.07 -1.00 -0.97 116.25 116.44 1hj3 h VAL 120 Ca 0.06 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1hj3 h VAL 120 Cb 0.79 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1hj3 h VAL 120 CO 0.06 0.02 0.35 0.44 0.02 0.00 0.00 177.57 178.47 1hj3 h ASP 121 N 0.13 1.11 -0.67 0.57 3.32 -1.17 -1.31 116.42 118.39 1hj3 h ASP 121 Ca 0.08 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.04 1hj3 h ASP 121 Cb 0.07 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 1hj3 h ASP 121 CO -0.11 0.96 0.36 -0.07 -1.72 0.00 0.00 179.24 178.67 1hj3 h LEU 122 N 1.19 0.52 -0.53 1.55 3.38 -0.84 -1.08 115.31 119.49 1hj3 h LEU 122 Ca 0.28 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 1hj3 h LEU 122 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1hj3 h LEU 122 CO -0.03 0.33 -0.21 0.24 0.09 0.00 0.00 178.44 178.87 1hj3 h MET 123 N 0.66 0.97 -0.46 1.13 2.86 -0.72 0.16 114.93 119.53 1hj3 h MET 123 Ca 0.31 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1hj3 h MET 123 Cb 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1hj3 h MET 123 CO -0.20 1.08 0.20 0.00 1.06 0.00 0.00 176.91 179.05 1hj3 h ALA 124 N 0.91 0.59 -0.55 6.32 0.00 -0.89 -1.39 119.26 124.25 1hj3 h ALA 124 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1hj3 h ALA 124 Cb 0.77 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1hj3 h ALA 124 CO 0.06 0.17 0.09 -0.91 0.00 0.00 0.00 179.25 178.67 1hj3 h ASN 125 N 0.60 0.87 -0.90 0.00 2.35 -1.08 -2.79 115.58 114.63 1hj3 h ASN 125 Ca 0.16 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1hj3 h ASN 125 Cb 0.15 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1hj3 h ASN 125 CO -0.02 0.91 0.59 0.22 -1.65 0.00 0.00 177.43 177.48 1hj3 h TYR 126 N 0.80 1.07 0.00 1.19 3.20 -0.38 -1.91 116.97 120.93 1hj3 h TYR 126 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1hj3 h TYR 126 Cb 0.41 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1hj3 h TYR 126 CO 0.03 0.60 0.00 -0.07 -1.64 0.00 0.00 178.16 177.08 1hj3 h LEU 127 N 1.09 0.00 0.00 2.82 3.38 -0.98 -2.54 115.31 119.08 1hj3 h LEU 127 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1hj3 h LEU 127 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1hj3 h LEU 127 CO -0.12 0.00 -0.34 0.18 0.09 0.00 0.00 178.44 178.25 1hj3 n LEU 128 N -2.81 0.36 -4.94 1.67 4.77 -0.72 -4.33 117.00 111.00 1hj3 n LEU 128 Ca 0.01 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 1hj3 n LEU 128 Cb 0.30 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1hj3 n LEU 128 CO 0.25 0.07 -0.00 -0.76 -1.33 0.00 0.00 177.39 175.62 1hj3 s LEU 129 N -3.12 4.25 -0.23 2.23 1.43 -0.96 -4.87 118.68 117.41 1hj3 s LEU 129 Ca 0.12 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.23 1hj3 s LEU 129 Cb 0.18 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 1hj3 s LEU 129 CO 0.64 -0.06 0.86 -1.81 0.23 0.00 0.00 176.35 176.21 1hj3 s ASP 130 N -3.52 6.88 0.33 2.29 1.01 -1.26 -4.66 116.67 117.74 1hj3 s ASP 130 Ca 0.37 1.10 -0.29 0.00 0.71 0.00 0.00 52.55 54.44 1hj3 s ASP 130 Cb -0.10 -2.45 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 1hj3 s ASP 130 CO 0.30 -0.53 1.26 -2.16 0.21 0.00 0.00 175.17 174.25 1hj3 s PRO 131 N 2.82 4.39 -0.04 8.23 0.04 -1.26 -4.81 135.00 144.38 1hj3 s PRO 131 Ca 0.36 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 1hj3 s PRO 131 Cb -0.15 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1hj3 s PRO 131 CO 0.08 -0.12 1.34 0.00 0.04 0.00 0.00 177.00 178.34 1hj3 s ALA 132 N -1.16 3.57 0.12 8.56 0.00 -1.26 -4.95 121.76 126.64 1hj3 s ALA 132 Ca 0.49 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 52.87 1hj3 s ALA 132 Cb -0.38 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 18.99 1hj3 s ALA 132 CO 0.50 -0.93 1.07 0.00 0.00 0.00 0.00 175.76 176.40 1hj3 n ALA 133 N 5.56 -1.78 -1.77 0.00 0.00 -1.26 -4.91 120.51 116.35 1hj3 n ALA 133 Ca 0.13 0.50 -0.37 0.00 0.00 0.00 0.00 53.44 53.70 1hj3 n ALA 133 Cb 0.44 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1hj3 n ALA 133 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1hj3 s PRO 134 N -0.27 3.58 0.29 0.00 0.02 -1.26 -4.95 135.00 132.41 1hj3 s PRO 134 Ca 0.78 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 63.35 1hj3 s PRO 134 Cb -0.98 -2.33 -0.11 0.00 0.02 0.00 0.00 34.50 31.11 1hj3 s PRO 134 CO 0.53 -0.72 1.50 -1.25 -0.33 0.00 0.00 177.00 176.74 1hj3 s PRO 135 N -2.80 4.19 0.86 5.54 0.04 -1.26 -5.03 135.00 136.54 1hj3 s PRO 135 Ca 0.66 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 64.02 1hj3 s PRO 135 Cb -0.30 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.30 1hj3 s PRO 135 CO 0.36 -0.51 1.22 -1.21 0.04 0.00 0.00 177.00 176.91 1hj3 s GLU 136 N -0.69 1.49 -0.41 4.56 0.41 -1.26 -4.73 118.70 118.07 1hj3 s GLU 136 Ca 0.60 -0.05 0.04 0.00 -0.41 0.00 0.00 54.97 55.15 1hj3 s GLU 136 Cb -0.45 -1.91 0.17 0.00 -1.78 0.00 0.00 34.13 30.16 1hj3 s GLU 136 CO 0.48 -1.90 0.43 0.12 -0.49 0.00 0.00 175.26 173.91 1hj3 s PHE 137 N -3.67 -0.26 0.00 1.61 2.19 -1.26 -5.01 117.98 111.59 1hj3 s PHE 137 Ca 0.66 -1.08 0.00 0.00 0.33 0.00 0.00 56.93 56.84 1hj3 s PHE 137 Cb -0.09 -0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.25 1hj3 s PHE 137 CO 0.50 -1.00 0.00 0.41 1.83 0.00 0.00 175.22 176.97 1hj3 n GLY 138 N 3.73 1.61 0.31 13.12 0.00 -1.26 -4.85 105.19 117.84 1hj3 n GLY 138 Ca 0.16 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 1hj3 n GLY 138 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hj3 h MET 139 N 0.00 1.06 -0.58 1.61 4.05 -2.00 -0.42 114.93 118.64 1hj3 h MET 139 Ca 0.00 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1hj3 h MET 139 Cb 0.00 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 1hj3 h MET 139 CO 0.00 0.83 0.35 -0.22 0.23 0.00 0.00 176.91 178.10 1hj3 h LYS 140 N 1.03 0.78 -0.45 0.39 3.64 -1.99 0.88 116.57 120.85 1hj3 h LYS 140 Ca 0.25 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1hj3 h LYS 140 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1hj3 h LYS 140 CO -0.03 0.56 -0.17 0.93 -2.27 0.00 0.00 179.45 178.47 1hj3 h GLU 141 N 0.78 0.92 -0.27 1.90 3.07 -1.81 -1.27 114.58 117.89 1hj3 h GLU 141 Ca 0.21 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 1hj3 h GLU 141 Cb -0.03 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1hj3 h GLU 141 CO -0.04 1.04 0.06 0.52 -1.40 0.00 0.00 179.01 179.19 1hj3 h MET 142 N 0.76 0.44 -0.13 2.33 2.86 -0.85 -2.69 114.93 117.66 1hj3 h MET 142 Ca 0.11 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1hj3 h MET 142 Cb 0.74 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1hj3 h MET 142 CO 0.06 0.54 -0.14 0.00 1.06 0.00 0.00 176.91 178.43 1hj3 h ARG 143 N 0.27 0.20 -0.05 1.72 3.08 -0.62 -1.67 114.38 117.31 1hj3 h ARG 143 Ca 0.08 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1hj3 h ARG 143 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1hj3 h ARG 143 CO 0.00 0.34 -0.38 0.93 -1.07 0.00 0.00 179.97 179.79 1hj3 h GLU 144 N 0.19 0.10 -0.00 0.04 5.08 -1.06 -2.52 114.58 116.40 1hj3 h GLU 144 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hj3 h GLU 144 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1hj3 h GLU 144 CO 0.02 0.47 -0.41 -1.13 -1.00 0.00 0.00 179.01 176.96 1hj3 n SER 145 N -4.07 0.44 -4.66 1.42 3.41 -0.81 -4.89 113.62 104.46 1hj3 n SER 145 Ca -0.02 -0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 1hj3 n SER 145 Cb 0.43 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1hj3 n SER 145 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1hj3 s TRP 146 N -2.98 3.12 -0.07 7.33 -0.00 -0.69 -4.30 118.94 121.34 1hj3 s TRP 146 Ca 0.12 1.26 0.01 0.00 -0.00 0.00 0.00 56.10 57.49 1hj3 s TRP 146 Cb 0.18 -3.38 0.02 0.00 -0.00 0.00 0.00 33.47 30.29 1hj3 s TRP 146 CO 0.67 -1.04 -0.09 0.15 -0.00 0.00 0.00 176.95 176.63 1hj3 s LYS 147 N 3.26 1.48 -0.44 5.86 1.02 -0.39 -5.01 119.74 125.53 1hj3 s LYS 147 Ca 0.49 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 56.09 1hj3 s LYS 147 Cb -0.18 -1.34 0.10 0.00 -0.52 0.00 0.00 37.83 35.88 1hj3 s LYS 147 CO 0.11 -0.07 0.28 0.08 -0.92 0.00 0.00 175.35 174.83 1hj3 s VAL 148 N 0.99 4.13 0.08 3.17 1.01 -1.26 -1.07 120.40 127.44 1hj3 s VAL 148 Ca -0.09 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 1hj3 s VAL 148 Cb -0.15 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 1hj3 s VAL 148 CO 0.00 -0.62 1.27 0.45 0.00 0.00 0.00 175.10 176.20 1hj3 h HIS 149 N 8.39 0.95 -3.47 5.22 -0.00 -0.82 -3.42 115.15 122.01 1hj3 h HIS 149 Ca -0.21 -0.43 -0.59 0.00 -0.00 0.00 0.00 60.37 59.13 1hj3 h HIS 149 Cb 1.08 -0.14 -0.39 0.00 -0.00 0.00 0.00 27.41 27.95 1hj3 h HIS 149 CO 0.62 1.25 -0.77 0.08 -0.00 0.00 0.00 177.93 179.11 1hj3 s VAL 150 N -3.68 1.26 0.59 2.45 1.01 -1.00 -5.05 120.40 115.99 1hj3 s VAL 150 Ca -0.11 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 1hj3 s VAL 150 Cb 0.07 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1hj3 s VAL 150 CO 0.88 -0.29 1.20 0.00 0.00 0.00 0.00 175.10 176.89 1hj3 n ALA 151 N 4.75 0.94 -0.32 5.51 0.00 -1.26 -4.84 120.51 125.28 1hj3 n ALA 151 Ca -0.08 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1hj3 n ALA 151 Cb 0.44 -2.26 0.30 0.00 0.00 0.00 0.00 19.45 17.93 1hj3 n ALA 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hj3 h PRO 152 N 0.84 0.54 -0.24 0.00 0.11 -1.97 0.55 132.00 131.84 1hj3 h PRO 152 Ca -0.50 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1hj3 h PRO 152 Cb 1.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1hj3 h PRO 152 CO 0.54 0.36 0.16 0.93 -0.21 0.00 0.00 178.00 179.77 1hj3 h GLU 153 N 0.56 0.25 -0.01 1.05 3.07 -1.99 -2.26 114.58 115.24 1hj3 h GLU 153 Ca 0.55 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1hj3 h GLU 153 Cb 0.94 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1hj3 h GLU 153 CO -0.45 0.16 -0.11 -0.25 -1.40 0.00 0.00 179.01 176.96 1hj3 n ASP 154 N -4.50 1.30 -4.92 1.42 8.00 0.17 -4.94 116.55 113.08 1hj3 n ASP 154 Ca 0.01 -1.23 -0.26 0.00 0.71 0.00 0.00 54.79 54.02 1hj3 n ASP 154 Cb 0.12 0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 1hj3 n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hj3 s ARG 155 N -2.22 2.83 0.76 -1.24 0.52 -0.85 -4.94 118.95 113.80 1hj3 s ARG 155 Ca 0.32 -0.08 -0.15 0.00 -0.52 0.00 0.00 55.73 55.30 1hj3 s ARG 155 Cb 0.20 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.43 1hj3 s ARG 155 CO 0.42 -0.75 1.05 -2.30 0.02 0.00 0.00 175.30 173.74 1hj3 n PRO 156 N -2.59 0.37 0.00 3.54 -0.02 -1.26 -4.93 135.00 130.11 1hj3 n PRO 156 Ca 0.05 0.19 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1hj3 n PRO 156 Cb 0.58 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1hj3 n PRO 156 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1hj3 n THR 157 N -2.84 0.00 -3.60 3.45 -2.24 -1.26 -4.97 114.28 102.82 1hj3 n THR 157 Ca 0.13 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1hj3 n THR 157 Cb 0.50 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 1hj3 n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hj3 s GLN 158 N -1.96 1.32 0.12 -0.78 -2.07 -1.26 -5.13 119.66 109.90 1hj3 s GLN 158 Ca 0.15 -0.68 -0.32 0.00 -1.82 0.00 0.00 55.36 52.69 1hj3 s GLN 158 Cb 0.14 0.55 -0.11 0.00 -1.09 0.00 0.00 33.01 32.50 1hj3 s GLN 158 CO 0.41 -0.57 1.81 0.94 -1.32 0.00 0.00 175.29 176.57 1hj3 n GLN 159 N -0.35 2.71 -0.54 9.60 7.27 -1.26 -4.86 117.38 129.95 1hj3 n GLN 159 Ca -0.13 0.99 0.04 0.00 0.07 0.00 0.00 57.00 57.97 1hj3 n GLN 159 Cb 0.63 -2.87 0.23 0.00 2.41 0.00 0.00 30.24 30.65 1hj3 n GLN 159 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1hj3 n GLU 160 N 5.40 2.48 -4.44 3.69 1.02 0.12 -4.96 120.64 123.96 1hj3 n GLU 160 Ca 0.18 -2.93 -0.21 0.00 -0.02 0.00 0.00 57.16 54.18 1hj3 n GLU 160 Cb 0.36 -1.82 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 1hj3 n GLU 160 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1hj3 s ASN 161 N -2.16 2.25 -0.13 1.62 2.20 -1.26 -3.71 114.94 113.76 1hj3 s ASN 161 Ca 0.43 -1.38 0.17 0.00 -0.94 0.00 0.00 52.86 51.13 1hj3 s ASN 161 Cb 0.36 -0.05 0.66 0.00 -2.00 0.00 0.00 41.25 40.23 1hj3 s ASN 161 CO 0.06 -0.63 1.58 -0.90 -2.94 0.00 0.00 177.10 174.27 1hj3 n ASP 162 N -0.67 4.59 -4.76 3.54 5.75 -1.26 -5.00 116.55 118.73 1hj3 n ASP 162 Ca -0.02 -2.56 -0.35 0.00 -0.01 0.00 0.00 54.79 51.85 1hj3 n ASP 162 Cb 0.67 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1hj3 n ASP 162 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1hj3 s TRP 163 N -2.04 2.54 -0.93 2.11 0.52 -1.26 -4.95 118.94 114.93 1hj3 s TRP 163 Ca 0.47 1.54 -0.17 0.00 0.02 0.00 0.00 56.10 57.97 1hj3 s TRP 163 Cb 0.32 -3.32 0.16 0.00 -1.15 0.00 0.00 33.47 29.48 1hj3 s TRP 163 CO 0.20 -1.83 1.06 0.34 0.02 0.00 0.00 176.95 176.74 1hj3 s ASP 164 N -1.92 6.71 0.25 2.95 -1.08 -1.26 -4.90 116.67 117.42 1hj3 s ASP 164 Ca 0.73 -2.30 -0.06 0.00 -0.52 0.00 0.00 52.55 50.40 1hj3 s ASP 164 Cb -0.25 -2.35 0.28 0.00 -1.46 0.00 0.00 42.92 39.14 1hj3 s ASP 164 CO 0.33 -0.91 1.92 -0.07 0.52 0.00 0.00 175.17 176.96 1hj3 h LEU 165 N 9.65 1.13 -2.14 -1.34 3.38 -1.96 -2.42 115.31 121.60 1hj3 h LEU 165 Ca 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1hj3 h LEU 165 Cb 1.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hj3 h LEU 165 CO 1.03 0.80 -0.05 -0.33 0.09 0.00 0.00 178.44 179.98 1hj3 h GLU 166 N 1.32 0.00 -0.55 1.13 5.08 -1.93 -1.63 114.58 118.01 1hj3 h GLU 166 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1hj3 h GLU 166 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1hj3 h GLU 166 CO -0.09 0.05 0.00 -1.71 -1.00 0.00 0.00 179.01 176.26 1hj3 n ASN 167 N -3.35 4.14 -4.80 1.42 5.15 -0.92 -1.68 115.26 115.21 1hj3 n ASN 167 Ca -0.02 -2.36 -0.36 0.00 -0.60 0.00 0.00 54.58 51.24 1hj3 n ASN 167 Cb 0.20 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.90 1hj3 n ASN 167 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1hj3 s LEU 168 N -1.66 4.31 -0.14 1.20 2.96 -0.61 -1.85 118.68 122.89 1hj3 s LEU 168 Ca 0.44 1.65 -0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1hj3 s LEU 168 Cb 0.27 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1hj3 s LEU 168 CO 0.22 -0.05 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.76 1hj3 s PHE 169 N -1.62 2.92 -0.40 5.38 0.40 -0.04 -0.89 117.98 123.73 1hj3 s PHE 169 Ca 0.48 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 1hj3 s PHE 169 Cb -0.17 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.50 1hj3 s PHE 169 CO 0.22 -0.08 0.28 0.45 0.70 0.00 0.00 175.22 176.79 1hj3 s SER 170 N 0.25 6.01 -0.19 1.36 0.15 0.10 -0.92 113.70 120.46 1hj3 s SER 170 Ca -0.06 -0.94 -0.03 0.00 0.70 0.00 0.00 55.95 55.62 1hj3 s SER 170 Cb -0.15 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1hj3 s SER 170 CO 0.04 -0.44 -0.07 -0.69 1.20 0.00 0.00 173.24 173.28 1hj3 s VAL 171 N 1.64 3.31 0.11 4.45 1.01 -0.68 -1.24 120.40 129.00 1hj3 s VAL 171 Ca 0.04 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1hj3 s VAL 171 Cb -0.19 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1hj3 s VAL 171 CO 0.09 0.46 1.41 -0.89 0.00 0.00 0.00 175.10 176.16 1hj3 s THR 172 N 1.11 3.30 -0.92 3.92 2.01 0.35 0.05 115.64 125.46 1hj3 s THR 172 Ca 0.01 0.92 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 1hj3 s THR 172 Cb -0.15 -3.59 0.24 0.00 0.01 0.00 0.00 72.50 69.02 1hj3 s THR 172 CO -0.01 0.06 0.90 0.18 -0.69 0.00 0.00 174.62 175.06 1hj3 n LEU 173 N 4.11 4.57 -0.04 4.42 4.77 -0.47 -1.66 117.00 132.71 1hj3 n LEU 173 Ca 0.12 -5.16 -0.01 0.00 -0.03 0.00 0.00 56.01 50.93 1hj3 n LEU 173 Cb 0.42 -1.12 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1hj3 n LEU 173 CO 0.59 1.60 0.43 -1.14 -1.33 0.00 0.00 177.39 177.53 1hj3 n ARG 174 N 2.10 -0.04 0.05 3.23 0.63 -0.79 -2.20 116.66 119.63 1hj3 n ARG 174 Ca 0.23 0.91 0.10 0.00 -0.92 0.00 0.00 57.85 58.18 1hj3 n ARG 174 Cb 0.37 -1.36 0.43 0.00 0.45 0.00 0.00 32.46 32.35 1hj3 n ARG 174 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1hj3 n ASP 175 N -3.11 0.27 -0.32 6.15 9.92 -1.26 -2.14 116.55 126.05 1hj3 n ASP 175 Ca 0.00 0.55 0.12 0.00 -0.53 0.00 0.00 54.79 54.93 1hj3 n ASP 175 Cb 0.03 -0.61 0.23 0.00 -0.64 0.00 0.00 41.12 40.12 1hj3 n ASP 175 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hj3 n ALA 176 N -1.60 3.30 -3.63 2.24 0.00 -0.93 -4.92 120.51 114.97 1hj3 n ALA 176 Ca 0.04 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 1hj3 n ALA 176 Cb 0.25 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 18.77 1hj3 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hj3 n GLY 177 N 1.38 -0.49 3.24 0.00 0.00 -0.95 -4.90 105.19 103.46 1hj3 n GLY 177 Ca 0.11 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1hj3 n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hj3 s GLN 178 N -6.17 1.32 0.11 1.61 -0.21 -1.17 -0.69 119.66 114.46 1hj3 s GLN 178 Ca 0.46 -1.67 0.04 0.00 0.02 0.00 0.00 55.36 54.21 1hj3 s GLN 178 Cb -0.21 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 1hj3 s GLN 178 CO 0.75 -0.45 -0.11 0.96 -2.12 0.00 0.00 175.29 174.32 1hj3 s ILE 179 N -4.02 1.08 -0.15 1.08 -4.36 -0.34 -1.37 121.20 113.12 1hj3 s ILE 179 Ca 0.38 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1hj3 s ILE 179 Cb 0.06 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.35 1hj3 s ILE 179 CO 0.14 -0.51 -0.19 0.00 0.24 0.00 0.00 174.94 174.62 1hj3 s ALA 180 N -2.36 2.35 -0.39 2.27 0.00 0.11 -1.24 121.76 122.50 1hj3 s ALA 180 Ca 0.07 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1hj3 s ALA 180 Cb -0.03 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1hj3 s ALA 180 CO 0.01 -0.09 0.70 -0.51 0.00 0.00 0.00 175.76 175.87 1hj3 s LEU 181 N 0.90 4.27 -0.09 0.00 1.43 -0.16 -1.68 118.68 123.35 1hj3 s LEU 181 Ca -0.04 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1hj3 s LEU 181 Cb -0.15 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 1hj3 s LEU 181 CO -0.03 -0.72 -0.22 -0.63 0.23 0.00 0.00 176.35 174.98 1hj3 s ILE 182 N 2.94 2.26 0.09 -0.59 1.01 -0.10 0.00 121.20 126.82 1hj3 s ILE 182 Ca 0.27 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 1hj3 s ILE 182 Cb -0.14 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 1hj3 s ILE 182 CO 0.18 0.56 1.58 -0.62 0.00 0.00 0.00 174.94 176.63 1hj3 s ASP 183 N 0.18 6.64 0.45 3.58 -1.08 -0.07 -0.86 116.67 125.51 1hj3 s ASP 183 Ca -0.13 2.47 0.31 0.00 -0.52 0.00 0.00 52.55 54.68 1hj3 s ASP 183 Cb -0.16 -2.57 1.30 0.00 -1.46 0.00 0.00 42.92 40.02 1hj3 s ASP 183 CO 0.07 -0.83 1.90 1.23 0.52 0.00 0.00 175.17 178.06 1hj3 h GLY 184 N 7.87 0.00 0.00 2.66 0.00 -1.70 -0.81 103.07 111.09 1hj3 h GLY 184 Ca -0.42 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.71 1hj3 h GLY 184 CO 0.92 0.00 -1.74 0.00 0.00 0.00 0.00 176.54 175.71 1hj3 n ALA 185 N -1.97 1.72 0.43 3.60 0.00 -1.26 -4.66 120.51 118.37 1hj3 n ALA 185 Ca 0.01 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1hj3 n ALA 185 Cb 0.25 0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1hj3 n ALA 185 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hj3 n THR 186 N -2.79 0.21 -1.38 0.00 -2.24 -1.25 -4.97 114.28 101.86 1hj3 n THR 186 Ca -0.22 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1hj3 n THR 186 Cb 0.77 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1hj3 n THR 186 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1hj3 n TYR 187 N -2.10 0.00 -2.77 4.78 4.01 -0.31 -4.96 117.16 115.81 1hj3 n TYR 187 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1hj3 n TYR 187 Cb 0.47 -2.38 -0.04 0.00 -0.31 0.00 0.00 39.34 37.08 1hj3 n TYR 187 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1hj3 s GLU 188 N -3.11 4.56 -0.56 -0.72 2.12 -1.25 -4.73 118.70 115.01 1hj3 s GLU 188 Ca 0.00 1.33 -0.27 0.00 0.36 0.00 0.00 54.97 56.39 1hj3 s GLU 188 Cb 0.00 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 1hj3 s GLU 188 CO 0.00 0.02 1.65 0.42 -0.54 0.00 0.00 175.26 176.81 1hj3 s ILE 189 N 0.78 3.56 0.16 -3.70 1.01 -1.26 -0.89 121.20 120.86 1hj3 s ILE 189 Ca 0.49 0.43 -0.07 0.00 0.00 0.00 0.00 60.65 61.50 1hj3 s ILE 189 Cb -0.21 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1hj3 s ILE 189 CO 0.27 -1.00 1.46 0.11 0.00 0.00 0.00 174.94 175.78 1hj3 h LYS 190 N 12.86 0.71 -1.70 2.79 1.79 -0.79 -3.47 116.57 128.76 1hj3 h LYS 190 Ca -0.28 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 57.78 1hj3 h LYS 190 Cb 1.13 0.05 -0.23 0.00 -1.58 0.00 0.00 32.23 31.61 1hj3 h LYS 190 CO 1.18 1.07 0.42 0.45 -1.08 0.00 0.00 179.45 181.48 1hj3 s SER 191 N -6.93 -0.48 -0.24 0.86 0.15 -1.14 -5.01 113.70 100.92 1hj3 s SER 191 Ca -0.09 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1hj3 s SER 191 Cb 0.11 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1hj3 s SER 191 CO 0.86 -0.36 -0.09 -0.69 1.20 0.00 0.00 173.24 174.16 1hj3 s VAL 192 N -0.76 2.65 -0.06 4.45 1.01 -1.26 -0.98 120.40 125.44 1hj3 s VAL 192 Ca -0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1hj3 s VAL 192 Cb -0.02 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1hj3 s VAL 192 CO 0.02 0.24 -0.02 -0.76 0.00 0.00 0.00 175.10 174.58 1hj3 s LEU 193 N 1.29 3.46 -0.07 3.92 1.43 -0.37 -4.97 118.68 123.37 1hj3 s LEU 193 Ca 0.00 0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 1hj3 s LEU 193 Cb -0.16 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1hj3 s LEU 193 CO -0.06 0.35 0.63 -1.81 0.23 0.00 0.00 176.35 175.69 1hj3 s ASP 194 N -1.02 6.91 0.00 2.29 1.11 -1.26 -1.20 116.67 123.50 1hj3 s ASP 194 Ca 0.14 1.09 0.00 0.00 0.18 0.00 0.00 52.55 53.96 1hj3 s ASP 194 Cb -0.11 -2.37 0.00 0.00 1.07 0.00 0.00 42.92 41.50 1hj3 s ASP 194 CO 0.04 -0.06 0.00 0.35 1.18 0.00 0.00 175.17 176.68 1hj3 n THR 195 N 3.63 0.00 -1.37 -1.27 -2.24 0.13 -4.95 114.28 108.21 1hj3 n THR 195 Ca -0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 1hj3 n THR 195 Cb 0.51 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.84 1hj3 n THR 195 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hj3 s GLY 196 N -0.00 1.65 0.31 3.38 0.00 -1.26 -4.72 107.32 106.67 1hj3 s GLY 196 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1hj3 s GLY 196 CO 0.00 0.43 1.38 -0.47 0.00 0.00 0.00 173.10 174.44 1hj3 s TYR 197 N -3.00 2.98 -1.24 1.90 5.04 -1.26 -3.74 117.35 118.03 1hj3 s TYR 197 Ca 0.61 1.24 -0.18 0.00 -2.44 0.00 0.00 57.07 56.30 1hj3 s TYR 197 Cb -0.16 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 38.38 1hj3 s TYR 197 CO 0.56 -2.30 0.65 0.00 -1.34 0.00 0.00 175.55 173.11 1hj3 n ALA 198 N 1.33 -2.41 -1.54 3.97 0.00 -0.91 -1.60 120.51 119.35 1hj3 n ALA 198 Ca 0.03 -0.33 -0.55 0.00 0.00 0.00 0.00 53.44 52.58 1hj3 n ALA 198 Cb 0.41 -3.04 -0.07 0.00 0.00 0.00 0.00 19.45 16.75 1hj3 n ALA 198 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hj3 n VAL 199 N -4.44 0.08 -0.03 0.00 0.31 -1.25 -2.95 118.33 110.06 1hj3 n VAL 199 Ca -0.16 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 1hj3 n VAL 199 Cb 0.61 -0.39 -0.13 0.00 -0.91 0.00 0.00 33.84 33.03 1hj3 n VAL 199 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1hj3 h HIS 200 N 3.63 0.33 -3.66 3.52 2.76 -1.31 -3.46 115.15 116.96 1hj3 h HIS 200 Ca -0.49 -0.24 -0.10 0.00 -2.20 0.00 0.00 60.37 57.35 1hj3 h HIS 200 Cb 1.39 -0.01 -0.16 0.00 1.55 0.00 0.00 27.41 30.17 1hj3 h HIS 200 CO 0.58 1.68 -0.38 0.96 -1.30 0.00 0.00 177.93 179.47 1hj3 s ILE 201 N -2.49 0.12 -0.08 6.26 -4.36 -1.26 -4.79 121.20 114.60 1hj3 s ILE 201 Ca -0.24 -1.01 -0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1hj3 s ILE 201 Cb 0.06 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 1hj3 s ILE 201 CO 0.71 -0.56 -0.05 -0.44 0.24 0.00 0.00 174.94 174.84 1hj3 s SER 202 N -2.41 4.76 0.04 4.36 0.01 -1.26 -3.16 113.70 116.03 1hj3 s SER 202 Ca -0.01 -0.00 0.03 0.00 1.31 0.00 0.00 55.95 57.27 1hj3 s SER 202 Cb 0.01 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1hj3 s SER 202 CO -0.07 0.35 -0.09 -0.13 0.41 0.00 0.00 173.24 173.71 1hj3 s ARG 203 N -0.70 0.58 -0.01 12.44 1.81 0.11 -4.92 118.95 128.26 1hj3 s ARG 203 Ca 0.11 -0.73 0.03 0.00 -1.72 0.00 0.00 55.73 53.41 1hj3 s ARG 203 Cb -0.11 -0.41 -0.03 0.00 -0.45 0.00 0.00 34.95 33.94 1hj3 s ARG 203 CO 0.02 0.08 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.14 1hj3 s LEU 204 N -1.44 3.14 1.03 2.53 2.01 -1.26 -0.37 118.68 124.32 1hj3 s LEU 204 Ca -0.07 -0.13 -0.11 0.00 0.01 0.00 0.00 54.13 53.83 1hj3 s LEU 204 Cb -0.09 -1.77 0.21 0.00 0.01 0.00 0.00 46.19 44.54 1hj3 s LEU 204 CO 0.01 0.30 1.09 -0.94 1.01 0.00 0.00 176.35 177.82 1hj3 s SER 205 N -1.27 2.02 0.55 2.29 1.04 0.15 -4.66 113.70 113.82 1hj3 s SER 205 Ca 0.16 1.89 0.33 0.00 0.48 0.00 0.00 55.95 58.80 1hj3 s SER 205 Cb -0.11 -2.45 1.48 0.00 0.10 0.00 0.00 66.02 65.04 1hj3 s SER 205 CO 0.06 -3.62 2.04 0.00 0.98 0.00 0.00 173.24 172.70 1hj3 h ALA 206 N -2.22 1.06 0.00 5.32 0.00 -1.86 -1.17 119.26 120.39 1hj3 h ALA 206 Ca -0.52 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1hj3 h ALA 206 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1hj3 h ALA 206 CO 0.45 0.08 -0.52 -1.13 0.00 0.00 0.00 179.25 178.14 1hj3 n SER 207 N -3.25 0.70 0.00 0.00 3.41 -1.26 -4.95 113.62 108.27 1hj3 n SER 207 Ca -0.01 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1hj3 n SER 207 Cb 0.27 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1hj3 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hj3 n GLY 208 N 1.34 0.69 0.12 5.00 0.00 -0.44 -4.94 105.19 106.96 1hj3 n GLY 208 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1hj3 n GLY 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hj3 h ARG 209 N 2.10 0.31 -5.22 1.61 2.43 -1.93 -3.46 114.38 110.22 1hj3 h ARG 209 Ca 0.00 -0.53 -0.63 0.00 -0.81 0.00 0.00 59.98 58.01 1hj3 h ARG 209 Cb 0.00 0.20 -0.18 0.00 -0.42 0.00 0.00 29.97 29.56 1hj3 h ARG 209 CO 0.00 1.25 -0.60 0.71 -1.51 0.00 0.00 179.97 179.83 1hj3 s TYR 210 N -2.46 3.17 -0.27 2.20 2.02 -1.26 -1.51 117.35 119.24 1hj3 s TYR 210 Ca -0.15 -0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.37 1hj3 s TYR 210 Cb 0.02 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1hj3 s TYR 210 CO 0.83 0.02 0.12 -1.17 -1.57 0.00 0.00 175.55 173.77 1hj3 s LEU 211 N 0.59 3.73 -0.14 -1.29 2.96 -0.45 -0.67 118.68 123.41 1hj3 s LEU 211 Ca 0.02 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1hj3 s LEU 211 Cb -0.13 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1hj3 s LEU 211 CO 0.02 -0.07 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.60 1hj3 s PHE 212 N 1.65 3.10 0.07 5.38 0.40 0.50 0.16 117.98 129.24 1hj3 s PHE 212 Ca 0.06 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1hj3 s PHE 212 Cb -0.16 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1hj3 s PHE 212 CO 0.06 0.15 -0.16 0.14 0.70 0.00 0.00 175.22 176.11 1hj3 s VAL 213 N -0.01 1.30 -0.08 -0.44 -7.23 -0.53 -0.71 120.40 112.70 1hj3 s VAL 213 Ca 0.02 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1hj3 s VAL 213 Cb -0.13 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.63 1hj3 s VAL 213 CO 0.02 -0.08 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.13 1hj3 s ILE 214 N -1.08 1.05 0.65 -0.62 2.07 -1.19 -1.55 121.20 120.54 1hj3 s ILE 214 Ca 0.02 -0.38 -0.10 0.00 -1.41 0.00 0.00 60.65 58.78 1hj3 s ILE 214 Cb -0.09 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 1hj3 s ILE 214 CO 0.02 0.35 1.03 -0.83 -1.91 0.00 0.00 174.94 173.60 1hj3 s GLY 215 N 1.09 1.62 0.58 1.50 0.00 0.44 -0.87 107.32 111.68 1hj3 s GLY 215 Ca -0.07 -0.37 0.35 0.00 0.00 0.00 0.00 44.72 44.63 1hj3 s GLY 215 CO -0.01 -0.05 2.15 0.07 0.00 0.00 0.00 173.10 175.26 1hj3 h ARG 216 N -0.44 0.00 -0.00 2.90 0.11 -1.18 -1.91 114.38 113.85 1hj3 h ARG 216 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1hj3 h ARG 216 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1hj3 h ARG 216 CO 0.63 0.05 -0.00 -0.40 0.10 0.00 0.00 179.97 180.34 1hj3 n ASP 217 N -3.31 0.05 0.00 0.08 5.68 -1.26 -1.12 116.55 116.66 1hj3 n ASP 217 Ca -0.02 -0.82 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1hj3 n ASP 217 Cb 0.20 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1hj3 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hj3 n GLY 218 N 1.07 0.75 3.67 6.12 0.00 -0.72 -4.41 105.19 111.67 1hj3 n GLY 218 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1hj3 n GLY 218 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hj3 s LYS 219 N -0.52 4.28 -0.16 1.61 2.47 -1.25 -1.01 119.74 125.16 1hj3 s LYS 219 Ca 0.00 1.00 -0.04 0.00 -1.56 0.00 0.00 55.97 55.37 1hj3 s LYS 219 Cb 0.00 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 1hj3 s LYS 219 CO 0.00 -0.35 -0.04 0.08 0.16 0.00 0.00 175.35 175.21 1hj3 s VAL 220 N 2.22 3.86 -0.05 4.02 1.01 0.67 -0.42 120.40 131.71 1hj3 s VAL 220 Ca 0.38 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1hj3 s VAL 220 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1hj3 s VAL 220 CO 0.12 0.49 -0.16 0.20 0.00 0.00 0.00 175.10 175.75 1hj3 s ASN 221 N 0.44 3.89 -0.15 3.32 0.02 -0.59 -1.60 114.94 120.27 1hj3 s ASN 221 Ca -0.04 -0.23 0.01 0.00 -1.02 0.00 0.00 52.86 51.58 1hj3 s ASN 221 Cb -0.14 -0.78 -0.00 0.00 0.02 0.00 0.00 41.25 40.35 1hj3 s ASN 221 CO 0.03 0.34 -0.16 -0.32 0.02 0.00 0.00 177.10 177.01 1hj3 s MET 222 N -0.71 3.20 -0.06 -0.60 -2.45 -0.24 -1.45 119.30 116.98 1hj3 s MET 222 Ca 0.11 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 53.85 1hj3 s MET 222 Cb -0.11 -2.59 -0.01 0.00 1.25 0.00 0.00 34.83 33.38 1hj3 s MET 222 CO 0.00 0.04 -0.24 0.42 1.05 0.00 0.00 175.02 176.29 1hj3 s ILE 223 N 0.74 2.12 -0.48 10.11 1.01 0.12 -0.68 121.20 134.14 1hj3 s ILE 223 Ca -0.07 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.35 1hj3 s ILE 223 Cb -0.16 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.59 1hj3 s ILE 223 CO 0.01 0.57 0.60 -0.62 0.00 0.00 0.00 174.94 175.49 1hj3 s ASP 224 N -0.14 6.23 0.00 3.58 -1.08 -1.06 -1.34 116.67 122.86 1hj3 s ASP 224 Ca -0.04 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.40 1hj3 s ASP 224 Cb -0.14 -2.28 1.03 0.00 -1.46 0.00 0.00 42.92 40.07 1hj3 s ASP 224 CO 0.04 -0.82 1.65 0.18 0.52 0.00 0.00 175.17 176.74 1hj3 n LEU 225 N 6.09 0.00 0.01 -1.34 4.77 -0.57 -2.79 117.00 123.16 1hj3 n LEU 225 Ca -0.06 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1hj3 n LEU 225 Cb 0.46 -0.30 0.34 0.00 -2.33 0.00 0.00 43.42 41.60 1hj3 n LEU 225 CO 0.53 -0.09 0.58 0.79 -1.33 0.00 0.00 177.39 177.86 1hj3 n TRP 226 N -1.30 0.06 -2.07 -1.77 7.02 -1.26 -4.84 117.44 113.28 1hj3 n TRP 226 Ca 0.10 0.02 -0.35 0.00 -1.02 0.00 0.00 57.50 56.25 1hj3 n TRP 226 Cb 0.17 -0.36 0.02 0.00 -2.42 0.00 0.00 31.31 28.72 1hj3 n TRP 226 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1hj3 s MET 227 N -3.02 3.12 0.22 -0.99 -1.94 -1.12 0.11 119.30 115.68 1hj3 s MET 227 Ca 0.11 1.61 -0.08 0.00 -1.71 0.00 0.00 55.69 55.62 1hj3 s MET 227 Cb 0.17 -1.97 0.36 0.00 2.01 0.00 0.00 34.83 35.40 1hj3 s MET 227 CO 0.66 -1.04 1.68 -0.22 -0.01 0.00 0.00 175.02 176.09 1hj3 h LYS 228 N 0.83 0.20 -3.03 2.03 1.63 -1.91 -3.23 116.57 113.09 1hj3 h LYS 228 Ca -0.49 -0.01 -0.62 0.00 -0.85 0.00 0.00 60.65 58.68 1hj3 h LYS 228 Cb 1.27 -0.05 -0.40 0.00 -0.60 0.00 0.00 32.23 32.45 1hj3 h LYS 228 CO 0.56 0.13 -0.71 -1.21 -3.45 0.00 0.00 179.45 174.77 1hj3 s GLU 229 N -6.10 1.62 0.16 1.90 2.02 -1.26 -4.74 118.70 112.30 1hj3 s GLU 229 Ca -0.13 -2.40 -0.33 0.00 0.02 0.00 0.00 54.97 52.13 1hj3 s GLU 229 Cb 0.20 -2.66 -0.16 0.00 0.10 0.00 0.00 34.13 31.61 1hj3 s GLU 229 CO 0.74 -1.20 1.21 -2.30 0.02 0.00 0.00 175.26 173.73 1hj3 n PRO 230 N 3.09 1.21 -3.89 0.39 -0.02 -1.22 -4.98 135.00 129.58 1hj3 n PRO 230 Ca 0.12 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1hj3 n PRO 230 Cb 0.35 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1hj3 n PRO 230 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1hj3 n THR 231 N 1.70 0.00 -2.16 3.45 5.66 -1.26 -4.98 114.28 116.69 1hj3 n THR 231 Ca 0.15 -1.52 -0.42 0.00 -3.05 0.00 0.00 64.05 59.21 1hj3 n THR 231 Cb 0.24 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.05 1hj3 n THR 231 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1hj3 s THR 232 N -2.59 3.71 -0.18 1.09 2.01 -1.26 -2.58 115.64 115.83 1hj3 s THR 232 Ca 0.25 0.98 0.21 0.00 0.31 0.00 0.00 61.69 63.45 1hj3 s THR 232 Cb -0.02 -3.63 -0.31 0.00 0.01 0.00 0.00 72.50 68.54 1hj3 s THR 232 CO 0.18 -0.05 0.54 1.33 -0.69 0.00 0.00 174.62 175.93 1hj3 n VAL 233 N 5.08 0.00 -3.52 3.82 0.24 0.14 -4.77 118.33 119.33 1hj3 n VAL 233 Ca 0.15 -0.41 -0.18 0.00 -2.04 0.00 0.00 64.34 61.86 1hj3 n VAL 233 Cb 0.43 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 1hj3 n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hj3 s ALA 234 N -3.40 -1.76 0.04 2.33 0.00 -1.18 -0.11 121.76 117.68 1hj3 s ALA 234 Ca -0.05 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1hj3 s ALA 234 Cb 0.14 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1hj3 s ALA 234 CO 0.88 -0.39 0.23 -1.83 0.00 0.00 0.00 175.76 174.66 1hj3 s GLU 235 N -1.30 0.73 0.08 0.00 -1.05 -0.23 -1.08 118.70 115.84 1hj3 s GLU 235 Ca -0.10 -0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 53.86 1hj3 s GLU 235 Cb -0.00 0.31 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1hj3 s GLU 235 CO 0.09 -0.22 0.66 -1.50 0.95 0.00 0.00 175.26 175.23 1hj3 s ILE 236 N -2.57 0.00 -0.12 1.83 2.07 -0.63 -1.27 121.20 120.51 1hj3 s ILE 236 Ca -0.05 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1hj3 s ILE 236 Cb -0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 1hj3 s ILE 236 CO -0.04 0.00 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.14 1hj3 s LYS 237 N -2.85 3.28 0.00 3.50 2.20 -1.26 -0.24 119.74 124.37 1hj3 s LYS 237 Ca -0.02 -0.64 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1hj3 s LYS 237 Cb -0.01 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1hj3 s LYS 237 CO -0.05 0.31 0.65 0.44 -0.36 0.00 0.00 175.35 176.34 1hj3 n ILE 238 N 3.25 0.00 -2.73 5.43 -6.64 -0.18 -4.53 119.36 113.96 1hj3 n ILE 238 Ca -0.18 -0.49 0.00 0.00 -1.77 0.00 0.00 62.75 60.31 1hj3 n ILE 238 Cb 0.53 1.11 0.00 0.00 -1.44 0.00 0.00 39.64 39.83 1hj3 n ILE 238 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1hj3 n GLY 239 N 0.35 -1.36 0.11 3.28 0.00 -1.26 -4.84 105.19 101.47 1hj3 n GLY 239 Ca 0.03 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 1hj3 n GLY 239 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hj3 n SER 240 N 0.95 1.49 -3.75 1.61 7.64 0.54 -4.34 113.62 117.77 1hj3 n SER 240 Ca 0.00 0.23 -0.20 0.00 1.01 0.00 0.00 58.87 59.92 1hj3 n SER 240 Cb 0.00 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 62.64 1hj3 n SER 240 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1hj3 s GLU 241 N -2.56 0.21 0.04 1.43 0.41 -0.85 -4.39 118.70 112.99 1hj3 s GLU 241 Ca -0.16 0.21 -0.10 0.00 -0.41 0.00 0.00 54.97 54.51 1hj3 s GLU 241 Cb 0.07 -0.60 0.01 0.00 -1.78 0.00 0.00 34.13 31.83 1hj3 s GLU 241 CO 0.78 -0.26 0.21 0.00 -0.49 0.00 0.00 175.26 175.51 1hj3 s ALA 242 N 1.71 -0.41 0.00 5.21 0.00 -0.28 -0.20 121.76 127.79 1hj3 s ALA 242 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1hj3 s ALA 242 Cb -0.13 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1hj3 s ALA 242 CO -0.03 -0.36 0.00 0.54 0.00 0.00 0.00 175.76 175.90 1hj3 n ARG 243 N 0.69 2.27 -4.25 0.00 5.12 -1.22 -4.07 116.66 115.20 1hj3 n ARG 243 Ca -0.19 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.55 1hj3 n ARG 243 Cb 0.59 -0.23 -0.13 0.00 -1.16 0.00 0.00 32.46 31.53 1hj3 n ARG 243 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1hj3 s SER 244 N -0.23 1.36 -0.08 0.55 1.04 -1.24 -4.60 113.70 110.51 1hj3 s SER 244 Ca 0.00 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 55.82 1hj3 s SER 244 Cb 0.00 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1hj3 s SER 244 CO 0.00 -0.02 0.40 -0.51 0.98 0.00 0.00 173.24 174.09 1hj3 s ILE 245 N -0.90 0.03 0.14 -1.02 2.07 -1.26 -1.19 121.20 119.07 1hj3 s ILE 245 Ca -0.01 -0.23 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 1hj3 s ILE 245 Cb -0.08 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 41.90 1hj3 s ILE 245 CO 0.01 -0.12 0.42 -0.70 -1.91 0.00 0.00 174.94 172.64 1hj3 s GLU 246 N -0.68 1.12 0.25 3.50 2.56 -0.27 -4.86 118.70 120.31 1hj3 s GLU 246 Ca -0.08 -0.73 0.11 0.00 0.00 0.00 0.00 54.97 54.27 1hj3 s GLU 246 Cb -0.04 0.48 -0.05 0.00 2.00 0.00 0.00 34.13 36.53 1hj3 s GLU 246 CO 0.03 -0.44 -0.14 0.95 -0.56 0.00 0.00 175.26 175.10 1hj3 s THR 247 N -3.81 2.82 0.04 -1.70 -4.23 -1.26 -0.70 115.64 106.79 1hj3 s THR 247 Ca 0.04 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1hj3 s THR 247 Cb 0.01 -2.46 -0.07 0.00 1.34 0.00 0.00 72.50 71.33 1hj3 s THR 247 CO -0.11 -0.30 1.45 -0.94 -0.54 0.00 0.00 174.62 174.19 1hj3 s SER 248 N -3.30 6.79 -0.00 3.99 1.04 -0.58 -4.67 113.70 116.96 1hj3 s SER 248 Ca 0.28 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.94 1hj3 s SER 248 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1hj3 s SER 248 CO 0.15 -0.74 0.97 0.29 0.98 0.00 0.00 173.24 174.89 1hj3 n LYS 249 N 5.17 2.79 -2.51 4.02 5.02 -1.26 -4.31 118.16 127.07 1hj3 n LYS 249 Ca 0.13 -1.44 -0.41 0.00 -2.02 0.00 0.00 58.31 54.57 1hj3 n LYS 249 Cb 0.43 -0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1hj3 n LYS 249 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1hj3 s MET 250 N -0.95 4.54 0.22 1.97 1.75 -1.18 -4.60 119.30 121.05 1hj3 s MET 250 Ca 0.00 1.69 -0.31 0.00 -1.25 0.00 0.00 55.69 55.82 1hj3 s MET 250 Cb 0.00 -3.32 -0.14 0.00 2.84 0.00 0.00 34.83 34.21 1hj3 s MET 250 CO 0.00 -0.04 1.26 -1.91 -0.65 0.00 0.00 175.02 173.67 1hj3 n GLU 251 N 3.07 1.60 0.00 4.11 2.13 -1.26 -0.94 120.64 129.34 1hj3 n GLU 251 Ca 0.05 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1hj3 n GLU 251 Cb 0.47 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1hj3 n GLU 251 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hj3 n GLY 252 N 1.95 1.32 0.37 8.31 0.00 -1.26 -4.89 105.19 111.00 1hj3 n GLY 252 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1hj3 n GLY 252 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hj3 n TRP 253 N -2.00 0.28 -1.73 1.61 7.02 -0.12 -5.02 117.44 117.49 1hj3 n TRP 253 Ca 0.00 -1.05 -0.42 0.00 -1.02 0.00 0.00 57.50 55.01 1hj3 n TRP 253 Cb 0.00 -0.22 -0.02 0.00 -2.42 0.00 0.00 31.31 28.65 1hj3 n TRP 253 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1hj3 n GLU 254 N -1.17 2.64 -0.93 -0.99 4.71 -1.26 -2.14 120.64 121.50 1hj3 n GLU 254 Ca 0.18 0.94 0.00 0.00 -0.01 0.00 0.00 57.16 58.28 1hj3 n GLU 254 Cb 0.73 -2.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.42 1hj3 n GLU 254 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1hj3 n ASP 255 N 2.72 -4.31 0.01 1.62 8.00 -1.26 -4.88 116.55 118.45 1hj3 n ASP 255 Ca 0.11 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 1hj3 n ASP 255 Cb 0.35 -2.59 -0.11 0.00 -0.02 0.00 0.00 41.12 38.75 1hj3 n ASP 255 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1hj3 h LYS 256 N 0.34 0.46 -4.16 -1.24 1.79 -1.75 -3.35 116.57 108.65 1hj3 h LYS 256 Ca 0.00 -0.49 -0.13 0.00 -2.18 0.00 0.00 60.65 57.85 1hj3 h LYS 256 Cb 0.62 0.14 -0.16 0.00 -1.58 0.00 0.00 32.23 31.24 1hj3 h LYS 256 CO 0.00 1.14 -0.67 0.71 -1.08 0.00 0.00 179.45 179.55 1hj3 s TYR 257 N -3.23 0.45 0.15 -1.35 2.02 -1.26 -0.92 117.35 113.21 1hj3 s TYR 257 Ca -0.13 -0.94 0.07 0.00 -0.37 0.00 0.00 57.07 55.71 1hj3 s TYR 257 Cb 0.04 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1hj3 s TYR 257 CO 0.84 -0.35 -0.15 0.00 -1.57 0.00 0.00 175.55 174.32 1hj3 s ALA 258 N -3.42 1.73 -0.01 3.71 0.00 -0.48 -1.53 121.76 121.76 1hj3 s ALA 258 Ca 0.02 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1hj3 s ALA 258 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1hj3 s ALA 258 CO -0.08 0.11 -0.04 -1.50 0.00 0.00 0.00 175.76 174.25 1hj3 s ILE 259 N -2.39 0.35 0.06 0.00 2.07 0.12 -0.41 121.20 120.99 1hj3 s ILE 259 Ca 0.14 -0.16 0.08 0.00 -1.41 0.00 0.00 60.65 59.30 1hj3 s ILE 259 Cb -0.04 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1hj3 s ILE 259 CO 0.04 0.11 -0.21 0.00 -1.91 0.00 0.00 174.94 172.97 1hj3 s ALA 260 N 0.06 1.82 -0.03 1.50 0.00 -0.36 -1.11 121.76 123.64 1hj3 s ALA 260 Ca -0.00 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1hj3 s ALA 260 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1hj3 s ALA 260 CO -0.00 0.40 -0.22 0.20 0.00 0.00 0.00 175.76 176.13 1hj3 s GLY 261 N -1.42 1.36 0.08 0.00 0.00 -0.33 -0.94 107.32 106.06 1hj3 s GLY 261 Ca 0.08 -1.08 0.09 0.00 0.00 0.00 0.00 44.72 43.81 1hj3 s GLY 261 CO 0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 173.10 172.00 1hj3 s ALA 262 N -0.66 2.39 0.02 3.20 0.00 -0.15 -3.41 121.76 123.16 1hj3 s ALA 262 Ca 0.11 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 1hj3 s ALA 262 Cb -0.10 -0.51 -0.28 0.00 0.00 0.00 0.00 23.12 22.23 1hj3 s ALA 262 CO -0.00 0.55 1.06 1.88 0.00 0.00 0.00 175.76 179.24 1hj3 h TYR 263 N 4.38 0.83 -3.20 0.00 -1.99 -0.81 -2.17 116.97 114.01 1hj3 h TYR 263 Ca -0.48 -0.52 -0.24 0.00 2.00 0.00 0.00 58.73 59.49 1hj3 h TYR 263 Cb 1.15 -0.07 -0.32 0.00 2.00 0.00 0.00 36.73 39.50 1hj3 h TYR 263 CO 0.54 1.36 -0.58 -0.46 -0.00 0.00 0.00 178.16 179.02 1hj3 s TRP 264 N -2.93 -0.20 1.02 4.88 -0.11 -0.97 -3.73 118.94 116.89 1hj3 s TRP 264 Ca -0.11 0.55 -0.12 0.00 1.22 0.00 0.00 56.10 57.64 1hj3 s TRP 264 Cb 0.04 -0.07 0.20 0.00 -1.50 0.00 0.00 33.47 32.14 1hj3 s TRP 264 CO 0.89 -0.19 1.08 -2.14 -4.62 0.00 0.00 176.95 171.97 1hj3 s PRO 265 N 1.25 0.28 -0.75 5.86 0.02 -1.26 -0.34 135.00 140.06 1hj3 s PRO 265 Ca -0.09 0.77 -0.26 0.00 0.02 0.00 0.00 61.00 61.44 1hj3 s PRO 265 Cb -0.11 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1hj3 s PRO 265 CO -0.07 -2.90 1.59 -2.14 -0.33 0.00 0.00 177.00 173.16 1hj3 s PRO 266 N -4.78 2.97 -0.01 5.54 0.02 -1.24 -4.55 135.00 132.94 1hj3 s PRO 266 Ca 0.66 -0.06 -0.30 0.00 0.02 0.00 0.00 61.00 61.32 1hj3 s PRO 266 Cb -0.21 -4.52 0.10 0.00 0.02 0.00 0.00 34.50 29.90 1hj3 s PRO 266 CO 0.60 -2.52 1.02 1.14 -0.33 0.00 0.00 177.00 176.91 1hj3 s GLN 267 N 6.26 0.74 0.13 5.54 -2.07 -1.25 -1.14 119.66 127.86 1hj3 s GLN 267 Ca 0.52 -0.32 0.06 0.00 -1.82 0.00 0.00 55.36 53.80 1hj3 s GLN 267 Cb -0.08 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1hj3 s GLN 267 CO 0.12 -0.33 -0.14 1.52 -1.32 0.00 0.00 175.29 175.14 1hj3 s TYR 268 N -2.92 1.43 -0.04 9.60 -0.85 -0.64 -0.97 117.35 122.96 1hj3 s TYR 268 Ca 0.08 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1hj3 s TYR 268 Cb -0.00 -0.74 0.03 0.00 0.38 0.00 0.00 41.96 41.62 1hj3 s TYR 268 CO -0.05 0.16 -0.00 0.54 -1.52 0.00 0.00 175.55 174.67 1hj3 s VAL 269 N -2.21 0.25 -0.17 -3.49 0.11 -0.12 -1.25 120.40 113.52 1hj3 s VAL 269 Ca 0.10 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.05 1hj3 s VAL 269 Cb -0.04 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1hj3 s VAL 269 CO 0.03 0.18 0.46 -0.63 -3.33 0.00 0.00 175.10 171.81 1hj3 s ILE 270 N 1.19 5.17 0.20 7.04 1.01 0.15 -1.22 121.20 134.74 1hj3 s ILE 270 Ca -0.07 0.87 0.11 0.00 0.00 0.00 0.00 60.65 61.56 1hj3 s ILE 270 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1hj3 s ILE 270 CO -0.02 0.26 -0.23 -0.04 0.00 0.00 0.00 174.94 174.92 1hj3 s MET 271 N 1.09 1.57 0.19 2.79 -1.94 0.45 -0.81 119.30 122.65 1hj3 s MET 271 Ca 0.23 -1.53 -0.32 0.00 -1.71 0.00 0.00 55.69 52.36 1hj3 s MET 271 Cb -0.15 -1.86 -0.11 0.00 2.01 0.00 0.00 34.83 34.72 1hj3 s MET 271 CO 0.09 0.40 1.67 0.34 -0.01 0.00 0.00 175.02 177.51 1hj3 s ASP 272 N -2.76 6.45 0.12 3.03 -1.08 0.27 -1.38 116.67 121.31 1hj3 s ASP 272 Ca 0.22 2.79 0.18 0.00 -0.52 0.00 0.00 52.55 55.22 1hj3 s ASP 272 Cb -0.08 -2.60 0.77 0.00 -1.46 0.00 0.00 42.92 39.56 1hj3 s ASP 272 CO 0.11 -0.92 1.57 0.61 0.52 0.00 0.00 175.17 177.05 1hj3 n GLY 273 N 3.91 -1.11 0.05 2.66 0.00 -0.10 -0.71 105.19 109.89 1hj3 n GLY 273 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1hj3 n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hj3 n GLU 274 N -1.83 1.72 -0.00 1.61 1.02 -1.26 -4.79 120.64 117.11 1hj3 n GLU 274 Ca 0.03 -0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1hj3 n GLU 274 Cb 0.19 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1hj3 n GLU 274 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hj3 n THR 275 N -2.36 0.00 -1.01 2.62 -2.24 -1.21 -4.81 114.28 105.27 1hj3 n THR 275 Ca -0.17 -0.10 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1hj3 n THR 275 Cb 0.79 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1hj3 n THR 275 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hj3 n LEU 276 N -1.51 0.07 -4.69 3.22 4.77 0.11 -4.77 117.00 114.19 1hj3 n LEU 276 Ca -0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 1hj3 n LEU 276 Cb 0.05 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1hj3 n LEU 276 CO 0.05 -0.09 1.35 1.21 -1.33 0.00 0.00 177.39 178.57 1hj3 n GLU 277 N -2.67 2.52 -2.19 3.23 2.13 -1.26 -4.45 120.64 117.96 1hj3 n GLU 277 Ca -0.00 0.91 -0.42 0.00 0.66 0.00 0.00 57.16 58.31 1hj3 n GLU 277 Cb 0.05 -2.74 -0.03 0.00 0.27 0.00 0.00 31.44 28.98 1hj3 n GLU 277 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1hj3 s PRO 278 N 1.68 4.24 -0.14 5.31 0.04 -1.26 -0.57 135.00 144.30 1hj3 s PRO 278 Ca 0.79 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1hj3 s PRO 278 Cb -0.57 -3.71 -0.09 0.00 0.04 0.00 0.00 34.50 30.17 1hj3 s PRO 278 CO 0.37 -0.68 -0.13 1.63 0.04 0.00 0.00 177.00 178.23 1hj3 n LYS 279 N 6.04 0.34 -3.66 4.56 4.76 0.01 -4.95 118.16 125.26 1hj3 n LYS 279 Ca 0.14 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1hj3 n LYS 279 Cb 0.43 -1.26 -0.12 0.00 -1.84 0.00 0.00 35.03 32.24 1hj3 n LYS 279 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hj3 s LYS 280 N -2.28 0.20 -0.18 1.97 2.47 -1.01 -5.00 119.74 115.91 1hj3 s LYS 280 Ca -0.19 0.83 -0.05 0.00 -1.56 0.00 0.00 55.97 55.00 1hj3 s LYS 280 Cb 0.05 0.07 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1hj3 s LYS 280 CO 0.32 -0.27 -0.00 0.42 0.16 0.00 0.00 175.35 175.97 1hj3 s ILE 281 N 2.43 4.08 -0.12 5.43 1.01 -1.26 -0.68 121.20 132.10 1hj3 s ILE 281 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1hj3 s ILE 281 Cb -0.12 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1hj3 s ILE 281 CO -0.10 0.46 -0.20 -1.10 0.00 0.00 0.00 174.94 174.01 1hj3 s GLN 282 N 0.61 2.67 0.45 2.79 -1.52 -0.38 -5.00 119.66 119.27 1hj3 s GLN 282 Ca -0.01 -0.73 -0.23 0.00 -1.95 0.00 0.00 55.36 52.44 1hj3 s GLN 282 Cb -0.14 -2.15 -0.08 0.00 -0.22 0.00 0.00 33.01 30.42 1hj3 s GLN 282 CO 0.02 0.02 1.11 0.45 -0.25 0.00 0.00 175.29 176.64 1hj3 s SER 283 N 0.75 6.35 0.00 5.90 0.15 -1.26 -1.62 113.70 123.97 1hj3 s SER 283 Ca -0.10 2.16 0.13 0.00 0.70 0.00 0.00 55.95 58.84 1hj3 s SER 283 Cb -0.16 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 61.78 1hj3 s SER 283 CO 0.01 -0.79 1.08 0.35 1.20 0.00 0.00 173.24 175.10 1hj3 n THR 284 N -0.47 0.44 -1.91 6.45 -2.24 -0.29 -4.91 114.28 111.35 1hj3 n THR 284 Ca 0.07 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1hj3 n THR 284 Cb 0.49 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1hj3 n THR 284 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hj3 s ARG 285 N -1.05 4.20 0.00 -0.78 0.52 -1.26 -4.57 118.95 116.02 1hj3 s ARG 285 Ca 0.20 2.44 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1hj3 s ARG 285 Cb 0.12 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1hj3 s ARG 285 CO 0.17 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.45 1hj3 n GLY 286 N 1.27 -0.55 3.86 -3.53 0.00 -1.14 -5.03 105.19 100.06 1hj3 n GLY 286 Ca 0.04 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1hj3 n GLY 286 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hj3 s MET 287 N -0.82 3.71 0.49 1.61 -1.94 -1.26 -0.12 119.30 120.97 1hj3 s MET 287 Ca 0.00 0.14 -0.23 0.00 -1.71 0.00 0.00 55.69 53.90 1hj3 s MET 287 Cb 0.00 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.63 1hj3 s MET 287 CO 0.00 0.68 1.28 0.95 -0.01 0.00 0.00 175.02 177.92 1hj3 s THR 288 N -1.17 2.55 0.23 2.05 -4.23 -0.41 -4.84 115.64 109.81 1hj3 s THR 288 Ca 0.24 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.15 1hj3 s THR 288 Cb -0.14 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.52 1hj3 s THR 288 CO 0.13 0.00 1.65 0.10 -0.54 0.00 0.00 174.62 175.96 1hj3 h TYR 289 N 1.86 0.75 0.00 3.99 -0.00 -1.34 -2.56 116.97 119.68 1hj3 h TYR 289 Ca -0.50 -0.17 -0.08 0.00 -0.00 0.00 0.00 58.73 57.97 1hj3 h TYR 289 Cb 1.27 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.81 1hj3 h TYR 289 CO 0.50 0.85 -0.92 -0.40 -0.00 0.00 0.00 178.16 178.19 1hj3 n ASP 290 N -4.10 1.86 0.00 0.10 5.75 -1.26 -4.45 116.55 114.44 1hj3 n ASP 290 Ca -0.00 0.51 0.13 0.00 -0.01 0.00 0.00 54.79 55.42 1hj3 n ASP 290 Cb 0.44 -0.86 0.40 0.00 -1.03 0.00 0.00 41.12 40.06 1hj3 n ASP 290 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1hj3 n GLU 291 N -4.52 0.01 -3.65 0.11 1.02 -1.26 -4.97 120.64 107.38 1hj3 n GLU 291 Ca -0.17 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.72 1hj3 n GLU 291 Cb 0.45 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1hj3 n GLU 291 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1hj3 n GLN 292 N -1.52 -1.23 -4.98 3.49 6.02 -0.96 -4.99 117.38 113.20 1hj3 n GLN 292 Ca 0.06 0.72 -0.27 0.00 -0.01 0.00 0.00 57.00 57.51 1hj3 n GLN 292 Cb 0.34 -3.58 -0.16 0.00 1.02 0.00 0.00 30.24 27.86 1hj3 n GLN 292 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1hj3 s GLU 293 N -5.19 1.65 0.24 -1.09 2.12 -1.26 -4.83 118.70 110.34 1hj3 s GLU 293 Ca 0.21 -0.72 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 1hj3 s GLU 293 Cb -0.09 -1.59 -0.11 0.00 0.26 0.00 0.00 34.13 32.60 1hj3 s GLU 293 CO 0.87 0.43 1.62 -0.47 -0.54 0.00 0.00 175.26 177.17 1hj3 s TYR 294 N -0.45 2.87 -0.16 5.30 5.04 -1.26 -1.29 117.35 127.39 1hj3 s TYR 294 Ca 0.07 0.63 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 1hj3 s TYR 294 Cb -0.08 -4.06 0.02 0.00 0.35 0.00 0.00 41.96 38.19 1hj3 s TYR 294 CO -0.01 -3.75 -0.17 -1.58 -1.34 0.00 0.00 175.55 168.70 1hj3 s HIS 295 N 0.56 2.42 -2.14 4.97 5.65 0.83 -4.92 115.29 122.66 1hj3 s HIS 295 Ca 0.68 -1.39 0.30 0.00 0.25 0.00 0.00 55.06 54.90 1hj3 s HIS 295 Cb -0.47 -1.73 1.54 0.00 -1.18 0.00 0.00 32.58 30.74 1hj3 s HIS 295 CO 0.40 -0.72 2.02 -0.35 -0.65 0.00 0.00 174.74 175.44 1hj3 n PRO 296 N 4.70 1.20 -3.00 2.88 -0.04 -1.26 -2.87 135.00 136.60 1hj3 n PRO 296 Ca -0.19 -0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 62.75 1hj3 n PRO 296 Cb 0.50 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1hj3 n PRO 296 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1hj3 n GLU 297 N -0.58 0.82 -2.90 0.54 2.13 -1.26 -4.91 120.64 114.47 1hj3 n GLU 297 Ca 0.21 -2.65 -0.43 0.00 0.66 0.00 0.00 57.16 54.95 1hj3 n GLU 297 Cb 0.21 -1.35 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 1hj3 n GLU 297 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1hj3 s PRO 298 N -0.69 3.14 0.37 5.31 0.02 -1.26 -4.79 135.00 137.10 1hj3 s PRO 298 Ca 0.33 -0.99 -0.27 0.00 0.02 0.00 0.00 61.00 60.09 1hj3 s PRO 298 Cb 0.24 -4.30 -0.09 0.00 0.02 0.00 0.00 34.50 30.37 1hj3 s PRO 298 CO -0.14 -1.77 1.26 1.03 -0.33 0.00 0.00 177.00 177.05 1hj3 s ARG 299 N 3.73 4.18 -0.15 5.54 0.52 -1.26 -4.67 118.95 126.84 1hj3 s ARG 299 Ca 0.21 2.08 -0.27 0.00 -0.52 0.00 0.00 55.73 57.24 1hj3 s ARG 299 Cb -0.17 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1hj3 s ARG 299 CO 0.08 -0.29 0.90 0.08 0.02 0.00 0.00 175.30 176.09 1hj3 s VAL 300 N -1.24 4.84 0.00 3.52 1.01 -0.81 -0.98 120.40 126.74 1hj3 s VAL 300 Ca 0.53 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.30 1hj3 s VAL 300 Cb -0.37 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1hj3 s VAL 300 CO 0.48 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.59 1hj3 n ALA 301 N 5.20 0.00 -1.70 5.51 0.00 0.08 -4.50 120.51 125.10 1hj3 n ALA 301 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 1hj3 n ALA 301 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 1hj3 n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hj3 n ALA 302 N -3.00 1.23 -3.66 0.00 0.00 -0.63 -4.64 120.51 109.82 1hj3 n ALA 302 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 1hj3 n ALA 302 Cb 0.00 -2.28 -0.17 0.00 0.00 0.00 0.00 19.45 17.01 1hj3 n ALA 302 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hj3 s ILE 303 N -1.29 1.41 0.44 0.00 1.01 -1.26 -1.53 121.20 119.97 1hj3 s ILE 303 Ca 0.68 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1hj3 s ILE 303 Cb -0.45 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1hj3 s ILE 303 CO 0.52 0.42 0.01 -0.76 0.00 0.00 0.00 174.94 175.14 1hj3 s LEU 304 N 1.02 2.60 -0.08 2.97 1.02 0.00 -4.69 118.68 121.51 1hj3 s LEU 304 Ca -0.06 -1.48 0.03 0.00 0.02 0.00 0.00 54.13 52.63 1hj3 s LEU 304 Cb -0.15 -0.78 0.01 0.00 0.02 0.00 0.00 46.19 45.29 1hj3 s LEU 304 CO -0.02 -0.62 -0.16 0.00 0.02 0.00 0.00 176.35 175.57 1hj3 s ALA 305 N -2.83 1.61 0.46 4.21 0.00 -1.26 -0.61 121.76 123.34 1hj3 s ALA 305 Ca 0.25 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 1hj3 s ALA 305 Cb 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 1hj3 s ALA 305 CO 0.12 0.12 1.20 0.45 0.00 0.00 0.00 175.76 177.65 1hj3 s SER 306 N 0.65 6.09 0.00 0.00 0.15 -0.56 -4.82 113.70 115.20 1hj3 s SER 306 Ca -0.14 2.38 0.16 0.00 0.70 0.00 0.00 55.95 59.05 1hj3 s SER 306 Cb -0.16 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1hj3 s SER 306 CO 0.04 -0.98 0.88 1.41 1.20 0.00 0.00 173.24 175.79 1hj3 n HIS 307 N -0.48 0.00 -0.08 3.44 8.25 -1.26 -3.09 115.22 122.00 1hj3 n HIS 307 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 1hj3 n HIS 307 Cb 0.47 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 1hj3 n HIS 307 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hj3 n TYR 308 N 0.07 0.00 -4.10 4.41 4.02 -1.26 -4.66 117.16 115.64 1hj3 n TYR 308 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 1hj3 n TYR 308 Cb 0.35 -0.82 -0.10 0.00 -0.02 0.00 0.00 39.34 38.75 1hj3 n TYR 308 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1hj3 s ARG 309 N -2.48 0.65 -1.05 -0.72 0.52 -1.26 -4.99 118.95 109.61 1hj3 s ARG 309 Ca -0.08 -1.16 -0.19 0.00 -0.52 0.00 0.00 55.73 53.77 1hj3 s ARG 309 Cb 0.06 0.03 -0.08 0.00 0.52 0.00 0.00 34.95 35.48 1hj3 s ARG 309 CO 0.71 -0.06 2.02 -0.35 0.02 0.00 0.00 175.30 177.63 1hj3 n PRO 310 N 0.30 2.04 -4.06 3.54 -0.04 -1.26 -4.50 135.00 131.02 1hj3 n PRO 310 Ca -0.15 -2.21 -0.12 0.00 -0.04 0.00 0.00 63.50 60.98 1hj3 n PRO 310 Cb 0.60 -3.13 -0.11 0.00 -0.04 0.00 0.00 33.50 30.82 1hj3 n PRO 310 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1hj3 s GLU 311 N 4.48 0.52 0.06 0.54 2.02 -1.26 -1.74 118.70 123.33 1hj3 s GLU 311 Ca 0.55 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 1hj3 s GLU 311 Cb 0.13 -0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.12 1hj3 s GLU 311 CO 0.05 0.02 0.30 -0.06 0.02 0.00 0.00 175.26 175.58 1hj3 s PHE 312 N -1.75 3.54 -0.32 1.61 0.08 -0.29 -1.50 117.98 119.35 1hj3 s PHE 312 Ca -0.08 0.54 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 1hj3 s PHE 312 Cb -0.08 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.46 1hj3 s PHE 312 CO -0.01 0.56 0.05 0.42 -0.10 0.00 0.00 175.22 176.14 1hj3 s ILE 313 N -1.43 3.21 -0.23 0.64 1.01 0.22 -0.75 121.20 123.86 1hj3 s ILE 313 Ca 0.32 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 1hj3 s ILE 313 Cb -0.13 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1hj3 s ILE 313 CO 0.20 -0.20 -0.08 -0.69 0.00 0.00 0.00 174.94 174.17 1hj3 s VAL 314 N 1.27 2.86 -0.06 2.92 1.01 0.17 -0.82 120.40 127.75 1hj3 s VAL 314 Ca -0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1hj3 s VAL 314 Cb -0.20 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1hj3 s VAL 314 CO -0.01 0.31 0.92 0.20 0.00 0.00 0.00 175.10 176.53 1hj3 s ASN 315 N 1.36 7.22 -0.35 3.32 0.01 -0.58 -0.67 114.94 125.25 1hj3 s ASN 315 Ca 0.02 1.48 -0.01 0.00 -0.71 0.00 0.00 52.86 53.64 1hj3 s ASN 315 Cb -0.15 -2.52 0.08 0.00 0.41 0.00 0.00 41.25 39.06 1hj3 s ASN 315 CO -0.06 -0.31 0.08 -0.69 -1.51 0.00 0.00 177.10 174.62 1hj3 s VAL 316 N 1.43 3.00 0.04 1.60 1.01 0.03 -0.74 120.40 126.76 1hj3 s VAL 316 Ca 0.47 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.49 1hj3 s VAL 316 Cb -0.19 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 1hj3 s VAL 316 CO 0.21 -0.39 1.29 0.50 0.00 0.00 0.00 175.10 176.72 1hj3 h LYS 317 N 7.97 -0.61 0.00 2.72 3.64 -1.24 -2.31 116.57 126.74 1hj3 h LYS 317 Ca -0.16 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1hj3 h LYS 317 Cb 1.05 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1hj3 h LYS 317 CO 0.59 -0.41 -0.36 0.93 -2.27 0.00 0.00 179.45 177.94 1hj3 h GLU 318 N -0.63 0.00 0.00 1.90 3.07 -1.87 -0.79 114.58 116.26 1hj3 h GLU 318 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1hj3 h GLU 318 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1hj3 h GLU 318 CO 0.05 0.36 -0.69 0.25 -1.40 0.00 0.00 179.01 177.59 1hj3 n THR 319 N -3.86 0.16 -3.17 1.13 -2.24 -1.25 -4.70 114.28 100.34 1hj3 n THR 319 Ca -0.01 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1hj3 n THR 319 Cb 0.43 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1hj3 n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hj3 n GLY 320 N 1.41 0.01 3.39 3.38 0.00 -0.89 -0.96 105.19 111.53 1hj3 n GLY 320 Ca 0.04 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1hj3 n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hj3 s LYS 321 N -5.81 2.66 -0.24 1.61 -0.14 -1.09 -0.97 119.74 115.76 1hj3 s LYS 321 Ca 0.36 -0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 54.14 1hj3 s LYS 321 Cb -0.16 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1hj3 s LYS 321 CO 0.45 0.48 0.06 0.42 -0.76 0.00 0.00 175.35 176.00 1hj3 s ILE 322 N -0.36 4.25 -0.18 2.17 1.01 -0.37 -0.79 121.20 126.92 1hj3 s ILE 322 Ca 0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 1hj3 s ILE 322 Cb -0.12 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1hj3 s ILE 322 CO 0.02 0.35 0.23 -0.76 0.00 0.00 0.00 174.94 174.78 1hj3 s LEU 323 N 1.56 4.23 -0.41 2.97 1.43 0.16 -0.55 118.68 128.07 1hj3 s LEU 323 Ca 0.06 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1hj3 s LEU 323 Cb -0.15 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1hj3 s LEU 323 CO 0.03 0.13 0.26 -0.76 0.23 0.00 0.00 176.35 176.25 1hj3 s LEU 324 N 0.42 5.08 -0.32 1.79 1.43 0.14 -0.66 118.68 126.57 1hj3 s LEU 324 Ca 0.13 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.84 1hj3 s LEU 324 Cb -0.12 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1hj3 s LEU 324 CO 0.01 -0.51 0.12 -0.69 0.23 0.00 0.00 176.35 175.52 1hj3 s VAL 325 N 1.50 4.21 -0.30 -1.59 1.01 0.07 -0.97 120.40 124.33 1hj3 s VAL 325 Ca 0.03 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 1hj3 s VAL 325 Cb -0.22 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1hj3 s VAL 325 CO 0.04 0.00 0.94 -0.62 0.00 0.00 0.00 175.10 175.46 1hj3 s ASP 326 N 1.53 6.84 -0.04 3.32 -1.08 -0.52 -1.13 116.67 125.58 1hj3 s ASP 326 Ca 0.03 0.94 0.14 0.00 -0.52 0.00 0.00 52.55 53.13 1hj3 s ASP 326 Cb -0.18 -2.48 0.46 0.00 -1.46 0.00 0.00 42.92 39.27 1hj3 s ASP 326 CO 0.04 -0.72 1.35 0.00 0.52 0.00 0.00 175.17 176.36 1hj3 n TYR 327 N 6.47 0.85 0.20 -5.34 0.18 -0.71 -4.19 117.16 114.64 1hj3 n TYR 327 Ca 0.08 -0.37 0.09 0.00 1.88 0.00 0.00 57.90 59.58 1hj3 n TYR 327 Cb 0.47 -0.10 0.34 0.00 -0.38 0.00 0.00 39.34 39.67 1hj3 n TYR 327 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 1hj3 h THR 328 N 2.81 0.55 -1.98 -3.48 1.35 -1.92 -3.41 112.91 106.83 1hj3 h THR 328 Ca 0.00 -1.35 -0.22 0.00 -0.55 0.00 0.00 66.41 64.29 1hj3 h THR 328 Cb 0.88 1.93 -0.31 0.00 -1.73 0.00 0.00 68.15 68.92 1hj3 h THR 328 CO 0.09 0.26 -0.55 -0.62 -0.25 0.00 0.00 175.52 174.45 1hj3 s ASP 329 N -6.24 0.74 0.07 5.36 -1.08 -1.26 -5.02 116.67 109.24 1hj3 s ASP 329 Ca 0.02 -0.20 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 1hj3 s ASP 329 Cb 0.09 0.89 0.83 0.00 -1.46 0.00 0.00 42.92 43.27 1hj3 s ASP 329 CO 0.66 -0.34 1.68 0.18 0.52 0.00 0.00 175.17 177.88 1hj3 n LEU 330 N 5.34 0.43 -0.02 -1.34 4.77 -1.26 -3.67 117.00 121.25 1hj3 n LEU 330 Ca -0.02 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 1hj3 n LEU 330 Cb 0.49 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1hj3 n LEU 330 CO 0.03 -0.03 -0.77 0.47 -1.33 0.00 0.00 177.39 175.76 1hj3 n ASP 331 N -1.80 2.07 -4.09 -1.43 10.43 -1.26 -4.44 116.55 116.02 1hj3 n ASP 331 Ca 0.06 0.25 -0.39 0.00 2.57 0.00 0.00 54.79 57.28 1hj3 n ASP 331 Cb 0.38 -0.88 -0.04 0.00 1.84 0.00 0.00 41.12 42.42 1hj3 n ASP 331 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1hj3 n ASN 332 N -3.68 4.84 -4.63 -2.24 3.02 -1.25 -5.04 115.26 106.28 1hj3 n ASN 332 Ca -0.33 -3.18 -0.43 0.00 -0.03 0.00 0.00 54.58 50.62 1hj3 n ASN 332 Cb 0.97 -1.14 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1hj3 n ASN 332 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1hj3 s LEU 333 N -1.67 3.87 -0.20 3.41 2.96 -1.24 -4.74 118.68 121.07 1hj3 s LEU 333 Ca 0.30 0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 55.01 1hj3 s LEU 333 Cb -0.04 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1hj3 s LEU 333 CO -0.07 -0.98 0.54 -0.54 -1.32 0.00 0.00 176.35 173.98 1hj3 s LYS 334 N 3.88 4.19 0.11 1.98 1.02 -1.26 -5.03 119.74 124.62 1hj3 s LYS 334 Ca 0.48 0.44 0.05 0.00 0.02 0.00 0.00 55.97 56.96 1hj3 s LYS 334 Cb -0.12 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 1hj3 s LYS 334 CO 0.19 -0.17 -0.13 0.95 -0.92 0.00 0.00 175.35 175.28 1hj3 s THR 335 N 1.71 1.15 -0.23 2.17 -4.23 -1.26 -1.44 115.64 113.51 1hj3 s THR 335 Ca 0.25 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1hj3 s THR 335 Cb -0.15 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1hj3 s THR 335 CO 0.10 -0.44 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.73 1hj3 s THR 336 N -2.12 2.52 -0.55 3.99 2.01 -0.14 -4.96 115.64 116.39 1hj3 s THR 336 Ca 0.06 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 1hj3 s THR 336 Cb -0.05 -2.25 0.09 0.00 0.01 0.00 0.00 72.50 70.30 1hj3 s THR 336 CO 0.02 0.26 0.61 -1.61 -0.69 0.00 0.00 174.62 173.21 1hj3 s GLU 337 N 1.28 3.04 -0.28 4.92 2.02 -1.26 -0.69 118.70 127.73 1hj3 s GLU 337 Ca 0.00 -1.31 -0.18 0.00 0.02 0.00 0.00 54.97 53.50 1hj3 s GLU 337 Cb -0.16 -4.22 -0.02 0.00 0.10 0.00 0.00 34.13 29.83 1hj3 s GLU 337 CO -0.07 -1.36 0.51 0.42 0.02 0.00 0.00 175.26 174.77 1hj3 s ILE 338 N 2.32 5.06 -0.00 -1.63 1.01 0.29 -4.94 121.20 123.31 1hj3 s ILE 338 Ca 0.10 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1hj3 s ILE 338 Cb -0.24 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1hj3 s ILE 338 CO 0.07 0.03 1.45 -0.44 0.00 0.00 0.00 174.94 176.04 1hj3 s SER 339 N 1.60 6.81 0.00 3.58 0.01 -1.26 -1.24 113.70 123.20 1hj3 s SER 339 Ca 0.20 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1hj3 s SER 339 Cb -0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1hj3 s SER 339 CO 0.10 -0.76 0.00 0.00 0.41 0.00 0.00 173.24 172.99 1hj3 n ALA 340 N 5.61 0.00 -3.31 1.44 0.00 -0.14 -4.91 120.51 119.20 1hj3 n ALA 340 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1hj3 n ALA 340 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1hj3 n ALA 340 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hj3 s GLU 341 N 1.58 0.57 0.78 0.00 2.56 -1.22 -5.02 118.70 117.95 1hj3 s GLU 341 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 54.97 55.24 1hj3 s GLU 341 Cb 0.00 0.27 0.07 0.00 2.00 0.00 0.00 34.13 36.47 1hj3 s GLU 341 CO 0.00 -0.10 1.18 1.03 -0.56 0.00 0.00 175.26 176.80 1hj3 s ARG 342 N -0.20 1.86 -0.34 4.30 0.52 -1.26 -3.90 118.95 119.92 1hj3 s ARG 342 Ca -0.04 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1hj3 s ARG 342 Cb -0.03 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1hj3 s ARG 342 CO 0.02 -2.02 0.00 1.19 0.02 0.00 0.00 175.30 174.51 1hj3 n PHE 343 N -3.20 -0.16 -1.72 -0.53 3.72 -0.34 -4.56 117.46 110.67 1hj3 n PHE 343 Ca 0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 1hj3 n PHE 343 Cb 0.51 -1.47 -0.01 0.00 -0.94 0.00 0.00 39.48 37.57 1hj3 n PHE 343 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hj3 n LEU 344 N -0.53 3.87 0.00 4.37 4.77 -1.23 -1.74 117.00 126.51 1hj3 n LEU 344 Ca -0.04 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1hj3 n LEU 344 Cb 0.48 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1hj3 n LEU 344 CO 0.05 -0.26 0.00 1.57 -1.33 0.00 0.00 177.39 177.42 1hj3 n HIS 345 N 0.79 0.00 -3.35 -1.77 -0.00 -0.24 -4.27 115.22 106.38 1hj3 n HIS 345 Ca 0.05 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.03 1hj3 n HIS 345 Cb 0.36 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1hj3 n HIS 345 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1hj3 s ASP 346 N 1.00 5.17 0.00 0.26 -4.77 -1.26 -1.60 116.67 115.47 1hj3 s ASP 346 Ca 0.00 -0.74 0.00 0.00 -3.30 0.00 0.00 52.55 48.51 1hj3 s ASP 346 Cb 0.00 -0.29 0.00 0.00 -1.09 0.00 0.00 42.92 41.54 1hj3 s ASP 346 CO 0.00 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 175.60 1hj3 n GLY 347 N -1.79 -1.43 3.62 2.12 0.00 -0.78 -1.12 105.19 105.81 1hj3 n GLY 347 Ca 0.06 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1hj3 n GLY 347 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hj3 s GLY 348 N 0.00 0.52 0.29 -0.02 0.00 -0.50 -4.07 107.32 103.54 1hj3 s GLY 348 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 1hj3 s GLY 348 CO 0.00 -0.58 0.69 1.08 0.00 0.00 0.00 173.10 174.29 1hj3 s LEU 349 N -3.02 4.11 1.31 0.66 1.43 -1.26 -0.64 118.68 121.27 1hj3 s LEU 349 Ca 0.21 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 1hj3 s LEU 349 Cb -0.01 -3.95 0.33 0.00 0.03 0.00 0.00 46.19 42.59 1hj3 s LEU 349 CO 0.10 -0.16 1.05 1.51 0.23 0.00 0.00 176.35 179.08 1hj3 s ASP 350 N -2.25 -0.03 0.48 2.29 -4.77 -0.41 -4.84 116.67 107.15 1hj3 s ASP 350 Ca 0.52 0.61 0.15 0.00 -3.30 0.00 0.00 52.55 50.52 1hj3 s ASP 350 Cb -0.11 -0.81 1.15 0.00 -1.09 0.00 0.00 42.92 42.06 1hj3 s ASP 350 CO 0.18 -4.71 2.08 1.23 0.70 0.00 0.00 175.17 174.66 1hj3 h GLY 351 N -2.98 0.22 1.14 2.12 0.00 -1.90 -1.08 103.07 100.59 1hj3 h GLY 351 Ca -0.42 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1hj3 h GLY 351 CO 0.28 0.07 -0.21 -1.14 0.00 0.00 0.00 176.54 175.54 1hj3 n SER 352 N -4.49 0.41 -0.92 0.19 3.41 -1.26 -4.93 113.62 106.02 1hj3 n SER 352 Ca 0.02 -0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1hj3 n SER 352 Cb 0.19 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1hj3 n SER 352 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hj3 n HIS 353 N -1.22 -0.01 -0.11 7.33 8.25 -0.41 -4.89 115.22 124.15 1hj3 n HIS 353 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1hj3 n HIS 353 Cb 0.31 -2.22 -0.13 0.00 1.12 0.00 0.00 29.99 29.08 1hj3 n HIS 353 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1hj3 n ARG 354 N -2.64 0.67 -4.33 -0.41 0.63 -1.26 -4.43 116.66 104.88 1hj3 n ARG 354 Ca -0.12 0.12 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1hj3 n ARG 354 Cb 0.40 -1.54 -0.11 0.00 0.45 0.00 0.00 32.46 31.66 1hj3 n ARG 354 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1hj3 s TYR 355 N -2.52 3.09 -0.27 -0.14 2.02 -1.26 -1.00 117.35 117.27 1hj3 s TYR 355 Ca -0.27 -0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.19 1hj3 s TYR 355 Cb 0.08 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1hj3 s TYR 355 CO 0.67 0.13 0.29 0.12 -1.57 0.00 0.00 175.55 175.19 1hj3 s PHE 356 N 0.04 3.25 -0.25 2.71 5.36 -0.29 -1.29 117.98 127.50 1hj3 s PHE 356 Ca 0.02 0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1hj3 s PHE 356 Cb -0.13 -2.48 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1hj3 s PHE 356 CO 0.02 -0.17 -0.03 0.42 -1.46 0.00 0.00 175.22 174.00 1hj3 s ILE 357 N 1.84 3.20 0.04 3.12 1.01 0.19 -0.80 121.20 129.80 1hj3 s ILE 357 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1hj3 s ILE 357 Cb -0.16 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1hj3 s ILE 357 CO 0.10 0.23 -0.11 0.28 0.00 0.00 0.00 174.94 175.44 1hj3 s THR 358 N 1.39 0.86 -0.20 2.92 -1.32 0.15 -1.41 115.64 118.03 1hj3 s THR 358 Ca 0.02 -0.97 -0.22 0.00 -1.21 0.00 0.00 61.69 59.30 1hj3 s THR 358 Cb -0.16 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1hj3 s THR 358 CO -0.03 -0.13 0.71 0.00 -2.21 0.00 0.00 174.62 172.96 1hj3 s ALA 359 N -0.98 3.55 -1.15 11.08 0.00 -0.28 -0.09 121.76 133.90 1hj3 s ALA 359 Ca -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1hj3 s ALA 359 Cb -0.08 -3.09 0.25 0.00 0.00 0.00 0.00 23.12 20.20 1hj3 s ALA 359 CO 0.01 -0.64 1.21 0.00 0.00 0.00 0.00 175.76 176.34 1hj3 s ALA 360 N 2.12 4.53 0.16 0.00 0.00 0.53 -1.08 121.76 128.02 1hj3 s ALA 360 Ca 0.32 -3.71 -0.16 0.00 0.00 0.00 0.00 51.96 48.41 1hj3 s ALA 360 Cb -0.16 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.25 1hj3 s ALA 360 CO 0.10 -2.37 1.80 -2.95 0.00 0.00 0.00 175.76 172.35 1hj3 h ASN 361 N 6.79 0.41 0.65 0.00 7.08 -1.57 -2.48 115.58 126.46 1hj3 h ASN 361 Ca 0.22 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.44 1hj3 h ASN 361 Cb 0.87 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 1hj3 h ASN 361 CO 1.09 0.30 0.00 0.00 -2.08 0.00 0.00 177.43 176.73 1hj3 h ALA 362 N 1.17 1.00 -0.45 4.14 0.00 -1.86 -1.70 119.26 121.56 1hj3 h ALA 362 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hj3 h ALA 362 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hj3 h ALA 362 CO -0.06 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.73 1hj3 n ARG 363 N -2.47 2.52 -2.79 0.00 1.74 -0.98 -4.93 116.66 109.77 1hj3 n ARG 363 Ca 0.01 -2.23 -0.19 0.00 -0.77 0.00 0.00 57.85 54.66 1hj3 n ARG 363 Cb 0.21 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1hj3 n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hj3 n ASN 364 N 1.15 -5.01 -4.53 0.55 3.02 -0.64 -4.97 115.26 104.83 1hj3 n ASN 364 Ca 0.17 -0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.32 1hj3 n ASN 364 Cb 0.52 -4.14 -0.11 0.00 -0.61 0.00 0.00 39.78 35.45 1hj3 n ASN 364 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hj3 s LYS 365 N -5.43 1.94 -0.18 3.52 -0.14 -1.04 -1.56 119.74 116.84 1hj3 s LYS 365 Ca 0.17 -1.13 -0.07 0.00 -1.36 0.00 0.00 55.97 53.58 1hj3 s LYS 365 Cb -0.08 -2.19 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 1hj3 s LYS 365 CO 0.21 0.49 0.05 -0.51 -0.76 0.00 0.00 175.35 174.83 1hj3 s LEU 366 N -2.23 3.75 -0.16 3.17 1.43 0.60 -0.34 118.68 124.89 1hj3 s LEU 366 Ca 0.20 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1hj3 s LEU 366 Cb -0.11 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1hj3 s LEU 366 CO 0.12 0.18 0.07 -0.69 0.23 0.00 0.00 176.35 176.26 1hj3 s VAL 367 N 0.35 4.87 -0.17 -1.59 1.01 0.86 -1.31 120.40 124.42 1hj3 s VAL 367 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1hj3 s VAL 367 Cb -0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1hj3 s VAL 367 CO 0.00 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1hj3 s VAL 368 N 0.00 2.95 -0.07 2.92 1.01 0.06 -0.67 120.40 126.61 1hj3 s VAL 368 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1hj3 s VAL 368 Cb -0.12 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1hj3 s VAL 368 CO 0.01 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 174.86 1hj3 s ILE 369 N 0.96 3.35 -0.46 2.22 -1.09 0.02 -0.82 121.20 125.39 1hj3 s ILE 369 Ca -0.02 -0.61 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 1hj3 s ILE 369 Cb -0.15 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1hj3 s ILE 369 CO -0.01 0.59 0.75 -0.62 -1.23 0.00 0.00 174.94 174.42 1hj3 s ASP 370 N -0.63 6.38 0.35 3.58 -1.08 0.05 -1.14 116.67 124.17 1hj3 s ASP 370 Ca 0.09 -0.22 0.27 0.00 -0.52 0.00 0.00 52.55 52.17 1hj3 s ASP 370 Cb -0.11 -2.37 0.98 0.00 -1.46 0.00 0.00 42.92 39.95 1hj3 s ASP 370 CO 0.01 -0.91 1.79 0.71 0.52 0.00 0.00 175.17 177.30 1hj3 h THR 371 N 5.95 0.00 0.04 1.71 1.35 -1.38 0.17 112.91 120.75 1hj3 h THR 371 Ca -0.25 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.04 1hj3 h THR 371 Cb 1.09 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1hj3 h THR 371 CO 0.95 0.00 -0.51 0.50 -0.25 0.00 0.00 175.52 176.22 1hj3 h LYS 372 N 0.00 0.27 -0.00 4.72 3.64 -1.91 -3.34 116.57 119.95 1hj3 h LYS 372 Ca 0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1hj3 h LYS 372 Cb 0.56 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1hj3 h LYS 372 CO 0.00 1.08 -0.66 0.39 -2.27 0.00 0.00 179.45 178.00 1hj3 n GLU 373 N -4.31 0.16 -3.22 1.90 -0.58 -1.19 -4.99 120.64 108.41 1hj3 n GLU 373 Ca -0.11 -0.11 -0.16 0.00 -0.42 0.00 0.00 57.16 56.36 1hj3 n GLU 373 Cb 0.65 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.09 1hj3 n GLU 373 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hj3 n GLY 374 N 1.48 -0.21 3.16 0.62 0.00 0.56 -5.03 105.19 105.77 1hj3 n GLY 374 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1hj3 n GLY 374 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hj3 s LYS 375 N -5.44 0.63 0.23 1.61 1.02 -1.10 -4.99 119.74 111.69 1hj3 s LYS 375 Ca 0.18 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1hj3 s LYS 375 Cb -0.08 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 1hj3 s LYS 375 CO 0.58 -0.17 1.37 -1.17 -0.92 0.00 0.00 175.35 175.04 1hj3 s LEU 376 N -1.96 4.40 -0.01 3.17 2.96 -1.26 -0.77 118.68 125.22 1hj3 s LEU 376 Ca -0.07 2.53 0.03 0.00 -0.22 0.00 0.00 54.13 56.41 1hj3 s LEU 376 Cb -0.02 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1hj3 s LEU 376 CO -0.03 -0.61 0.07 1.33 -1.32 0.00 0.00 176.35 175.79 1hj3 n VAL 377 N 2.44 0.01 -3.57 1.68 0.24 0.00 -4.86 118.33 114.27 1hj3 n VAL 377 Ca 0.06 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 1hj3 n VAL 377 Cb 0.42 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 1hj3 n VAL 377 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hj3 s ALA 378 N -2.21 -1.94 -0.12 2.33 0.00 -1.13 -4.99 121.76 113.70 1hj3 s ALA 378 Ca -0.01 1.53 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 1hj3 s ALA 378 Cb 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1hj3 s ALA 378 CO 0.13 -0.37 0.05 0.42 0.00 0.00 0.00 175.76 175.99 1hj3 s ILE 379 N -1.45 0.15 -0.02 0.00 1.01 -1.26 -0.76 121.20 118.87 1hj3 s ILE 379 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1hj3 s ILE 379 Cb -0.01 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1hj3 s ILE 379 CO -0.01 -0.01 -0.13 -1.61 0.00 0.00 0.00 174.94 173.19 1hj3 s GLU 380 N 2.05 1.13 0.17 2.79 0.41 -0.42 -4.97 118.70 119.86 1hj3 s GLU 380 Ca 0.03 -0.44 -0.30 0.00 -0.41 0.00 0.00 54.97 53.85 1hj3 s GLU 380 Cb -0.14 -1.06 -0.07 0.00 -1.78 0.00 0.00 34.13 31.07 1hj3 s GLU 380 CO -0.06 0.23 0.95 0.34 -0.49 0.00 0.00 175.26 176.23 1hj3 s ASP 381 N -0.12 7.57 0.27 -0.19 -1.08 -1.26 -0.29 116.67 121.57 1hj3 s ASP 381 Ca 0.02 1.87 0.25 0.00 -0.52 0.00 0.00 52.55 54.17 1hj3 s ASP 381 Cb -0.07 -2.60 0.68 0.00 -1.46 0.00 0.00 42.92 39.47 1hj3 s ASP 381 CO 0.00 0.04 1.73 0.71 0.52 0.00 0.00 175.17 178.17 1hj3 h THR 382 N 3.61 0.00 0.00 1.71 1.35 -1.65 -3.46 112.91 114.47 1hj3 h THR 382 Ca -0.44 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1hj3 h THR 382 Cb 1.21 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1hj3 h THR 382 CO 0.70 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1hj3 n GLY 383 N 1.25 1.35 3.85 5.82 0.00 -1.26 -4.90 105.19 111.30 1hj3 n GLY 383 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1hj3 n GLY 383 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hj3 s GLY 384 N -1.86 2.44 -0.33 -0.02 0.00 -1.26 -5.11 107.32 101.18 1hj3 s GLY 384 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 1hj3 s GLY 384 CO 0.00 -1.95 0.16 1.20 0.00 0.00 0.00 173.10 172.50 1hj3 s GLN 385 N -4.14 3.15 -0.56 2.90 -1.52 -1.26 -4.75 119.66 113.48 1hj3 s GLN 385 Ca 0.32 -0.84 -0.01 0.00 -1.95 0.00 0.00 55.36 52.88 1hj3 s GLN 385 Cb -0.01 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.20 1hj3 s GLN 385 CO 0.19 -0.50 0.55 2.41 -0.25 0.00 0.00 175.29 177.69 1hj3 n THR 386 N 4.97 -8.32 -1.75 -0.19 -1.04 -1.25 -0.53 114.28 106.17 1hj3 n THR 386 Ca -0.13 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 1hj3 n THR 386 Cb 0.48 -6.24 -0.01 0.00 -1.82 0.00 0.00 70.33 62.73 1hj3 n THR 386 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1hj3 n PRO 387 N -1.51 2.70 -3.38 -2.82 -0.04 -1.26 -1.18 135.00 127.50 1hj3 n PRO 387 Ca 0.01 0.96 -0.26 0.00 -0.04 0.00 0.00 63.50 64.16 1hj3 n PRO 387 Cb 0.49 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.12 1hj3 n PRO 387 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1hj3 s HIS 388 N -0.18 0.88 -0.33 0.54 2.46 -0.52 -4.65 115.29 113.49 1hj3 s HIS 388 Ca 0.62 -2.08 0.23 0.00 0.47 0.00 0.00 55.06 54.30 1hj3 s HIS 388 Cb -0.49 -0.85 0.44 0.00 -0.13 0.00 0.00 32.58 31.54 1hj3 s HIS 388 CO 0.51 -0.85 1.64 -1.00 -2.47 0.00 0.00 174.74 172.57 1hj3 h PRO 389 N 5.94 0.00 0.00 2.88 0.13 -1.78 -3.39 132.00 135.78 1hj3 h PRO 389 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1hj3 h PRO 389 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1hj3 h PRO 389 CO 0.33 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1hj3 n GLY 390 N 0.97 2.87 0.40 1.56 0.00 -1.26 -0.84 105.19 108.89 1hj3 n GLY 390 Ca 0.03 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1hj3 n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hj3 n ARG 391 N 13.03 1.10 0.00 1.61 1.74 -1.26 -1.86 116.66 131.03 1hj3 n ARG 391 Ca 0.00 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 1hj3 n ARG 391 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1hj3 n ARG 391 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hj3 n GLY 392 N 1.37 -1.96 2.69 -0.13 0.00 -0.02 -3.49 105.19 103.64 1hj3 n GLY 392 Ca 0.11 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 1hj3 n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hj3 s ALA 393 N -1.02 0.38 -0.12 4.61 0.00 -0.98 -4.74 121.76 119.90 1hj3 s ALA 393 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1hj3 s ALA 393 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1hj3 s ALA 393 CO 0.00 -0.59 0.21 -0.80 0.00 0.00 0.00 175.76 174.57 1hj3 s ASN 394 N 2.11 6.44 0.21 0.00 0.01 -1.25 -0.45 114.94 122.01 1hj3 s ASN 394 Ca 0.04 0.52 -0.21 0.00 -0.71 0.00 0.00 52.86 52.51 1hj3 s ASN 394 Cb -0.13 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.45 1hj3 s ASN 394 CO -0.04 0.31 0.61 0.72 -1.51 0.00 0.00 177.10 177.19 1hj3 s PHE 395 N -0.57 -0.31 -0.55 2.20 -0.71 -0.76 -4.75 117.98 112.53 1hj3 s PHE 395 Ca 0.16 -0.02 -0.20 0.00 -1.04 0.00 0.00 56.93 55.83 1hj3 s PHE 395 Cb -0.13 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.30 1hj3 s PHE 395 CO 0.05 -0.99 0.73 0.08 -1.34 0.00 0.00 175.22 173.75 1hj3 s VAL 396 N -3.84 4.72 0.22 -2.49 1.01 -1.26 -0.87 120.40 117.89 1hj3 s VAL 396 Ca 0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1hj3 s VAL 396 Cb -0.02 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1hj3 s VAL 396 CO -0.04 -1.00 1.33 -2.28 0.00 0.00 0.00 175.10 173.11 1hj3 s HIS 397 N 3.01 3.20 0.38 5.22 2.46 0.09 -4.90 115.29 124.75 1hj3 s HIS 397 Ca 0.17 1.21 0.13 0.00 0.47 0.00 0.00 55.06 57.05 1hj3 s HIS 397 Cb -0.19 -3.64 0.96 0.00 -0.13 0.00 0.00 32.58 29.57 1hj3 s HIS 397 CO 0.11 -2.00 1.83 -1.35 -2.47 0.00 0.00 174.74 170.86 1hj3 h PRO 398 N 5.10 0.53 0.00 2.88 0.11 -1.81 -1.56 132.00 137.25 1hj3 h PRO 398 Ca -0.45 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1hj3 h PRO 398 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1hj3 h PRO 398 CO 0.76 0.35 -1.60 0.25 -0.21 0.00 0.00 178.00 177.55 1hj3 n THR 399 N -4.59 0.60 0.11 -1.15 -2.24 -1.26 -4.73 114.28 101.01 1hj3 n THR 399 Ca 0.21 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1hj3 n THR 399 Cb 0.65 -0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1hj3 n THR 399 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1hj3 h PHE 400 N 0.00 0.00 0.00 4.78 0.04 -1.93 -3.51 116.94 116.33 1hj3 h PHE 400 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1hj3 h PHE 400 Cb 1.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1hj3 h PHE 400 CO 0.00 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 1hj3 n GLY 401 N 1.27 -1.80 3.67 -1.45 0.00 -0.59 -4.91 105.19 101.38 1hj3 n GLY 401 Ca -0.02 -1.87 -0.48 0.00 0.00 0.00 0.00 46.02 43.65 1hj3 n GLY 401 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hj3 n PRO 402 N 0.00 2.05 -4.17 1.61 -0.02 -1.26 -0.73 135.00 132.47 1hj3 n PRO 402 Ca 0.00 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 1hj3 n PRO 402 Cb 0.00 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 30.85 1hj3 n PRO 402 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hj3 s VAL 403 N 2.22 0.62 -0.06 -1.45 -7.23 -0.05 -1.61 120.40 112.84 1hj3 s VAL 403 Ca 0.85 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1hj3 s VAL 403 Cb -0.72 -1.75 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 1hj3 s VAL 403 CO 0.45 -0.81 -0.18 0.86 -0.31 0.00 0.00 175.10 175.11 1hj3 s TRP 404 N -3.68 1.87 0.07 2.82 -0.00 -0.44 -1.82 118.94 117.77 1hj3 s TRP 404 Ca 0.14 -0.60 0.07 0.00 -0.00 0.00 0.00 56.10 55.71 1hj3 s TRP 404 Cb 0.06 -1.27 -0.04 0.00 -0.00 0.00 0.00 33.47 32.23 1hj3 s TRP 404 CO -0.04 -0.22 -0.13 0.00 -0.00 0.00 0.00 176.95 176.56 1hj3 s ALA 405 N 0.15 2.82 0.03 5.86 0.00 0.40 -1.08 121.76 129.94 1hj3 s ALA 405 Ca -0.07 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1hj3 s ALA 405 Cb -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1hj3 s ALA 405 CO 0.03 0.61 -0.07 -0.08 0.00 0.00 0.00 175.76 176.25 1hj3 s THR 406 N -1.08 0.52 0.59 0.00 -1.32 -0.85 -2.32 115.64 111.18 1hj3 s THR 406 Ca 0.18 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 59.88 1hj3 s THR 406 Cb -0.11 -0.55 0.09 0.00 -1.51 0.00 0.00 72.50 70.42 1hj3 s THR 406 CO 0.10 -0.25 0.75 -0.94 -2.21 0.00 0.00 174.62 172.06 1hj3 s SER 407 N -1.22 4.93 0.07 8.08 1.04 -1.26 -0.87 113.70 124.48 1hj3 s SER 407 Ca -0.07 -0.99 0.06 0.00 0.48 0.00 0.00 55.95 55.43 1hj3 s SER 407 Cb -0.08 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1hj3 s SER 407 CO 0.00 -1.38 -0.16 -1.00 0.98 0.00 0.00 173.24 171.68 1hj3 s HIS 408 N -2.74 1.37 0.08 5.02 3.76 -1.14 -1.44 115.29 120.21 1hj3 s HIS 408 Ca 0.57 -0.42 -0.06 0.00 -0.15 0.00 0.00 55.06 55.00 1hj3 s HIS 408 Cb -0.05 -0.78 -0.25 0.00 1.11 0.00 0.00 32.58 32.62 1hj3 s HIS 408 CO 0.36 0.09 1.17 0.52 -0.85 0.00 0.00 174.74 176.02 1hj3 h MET 409 N 4.40 0.33 -0.00 1.40 2.86 -1.11 -2.38 114.93 120.44 1hj3 h MET 409 Ca -0.42 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 56.72 1hj3 h MET 409 Cb 1.18 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1hj3 h MET 409 CO 0.41 1.22 -0.35 0.41 1.06 0.00 0.00 176.91 179.66 1hj3 n GLY 410 N 1.41 -1.11 3.74 8.32 0.00 0.31 -0.53 105.19 117.34 1hj3 n GLY 410 Ca -0.09 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1hj3 n GLY 410 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hj3 s ASP 411 N -2.84 0.20 -0.04 1.61 1.47 -1.24 -4.77 116.67 111.05 1hj3 s ASP 411 Ca 0.16 -1.22 0.09 0.00 1.18 0.00 0.00 52.55 52.76 1hj3 s ASP 411 Cb 0.18 0.82 0.33 0.00 -0.34 0.00 0.00 42.92 43.91 1hj3 s ASP 411 CO 0.62 -1.62 1.19 -0.90 0.68 0.00 0.00 175.17 175.14 1hj3 n ASP 412 N -1.42 2.32 -4.86 2.11 5.68 -1.26 -4.06 116.55 115.06 1hj3 n ASP 412 Ca -0.07 -2.15 -0.32 0.00 -0.50 0.00 0.00 54.79 51.75 1hj3 n ASP 412 Cb 0.60 -0.36 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 1hj3 n ASP 412 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1hj3 s SER 413 N -0.77 6.72 -0.14 -1.12 1.04 -1.26 -0.20 113.70 117.97 1hj3 s SER 413 Ca 0.24 1.17 0.02 0.00 0.48 0.00 0.00 55.95 57.86 1hj3 s SER 413 Cb 0.15 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1hj3 s SER 413 CO 0.13 -0.18 -0.19 -0.69 0.98 0.00 0.00 173.24 173.28 1hj3 s VAL 414 N -1.96 2.35 0.00 5.02 1.01 0.29 -2.89 120.40 124.22 1hj3 s VAL 414 Ca 0.52 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1hj3 s VAL 414 Cb -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1hj3 s VAL 414 CO 0.19 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.66 1hj3 s ALA 415 N 0.67 2.61 -0.10 5.51 0.00 -0.04 -1.54 121.76 128.87 1hj3 s ALA 415 Ca -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1hj3 s ALA 415 Cb -0.16 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1hj3 s ALA 415 CO 0.02 0.57 -0.14 -0.51 0.00 0.00 0.00 175.76 175.69 1hj3 s LEU 416 N -1.12 2.69 -0.07 0.00 1.43 -0.55 -2.01 118.68 119.04 1hj3 s LEU 416 Ca 0.13 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1hj3 s LEU 416 Cb -0.11 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1hj3 s LEU 416 CO 0.03 0.23 -0.22 -0.51 0.23 0.00 0.00 176.35 176.11 1hj3 s ILE 417 N -0.02 2.32 0.25 -0.59 2.07 -0.24 -0.78 121.20 124.22 1hj3 s ILE 417 Ca -0.04 -0.96 -0.30 0.00 -1.41 0.00 0.00 60.65 57.94 1hj3 s ILE 417 Cb -0.14 -1.88 -0.10 0.00 0.13 0.00 0.00 42.46 40.47 1hj3 s ILE 417 CO 0.04 0.57 1.35 -0.83 -1.91 0.00 0.00 174.94 174.15 1hj3 s GLY 418 N -0.10 2.56 -0.15 1.50 0.00 -1.00 -1.32 107.32 108.81 1hj3 s GLY 418 Ca -0.05 1.22 0.15 0.00 0.00 0.00 0.00 44.72 46.04 1hj3 s GLY 418 CO 0.04 2.09 1.17 -1.30 0.00 0.00 0.00 173.10 175.10 1hj3 n THR 419 N 2.02 1.77 -3.66 0.90 -2.24 -0.63 -0.55 114.28 111.88 1hj3 n THR 419 Ca 0.05 -2.46 -0.28 0.00 -2.27 0.00 0.00 64.05 59.09 1hj3 n THR 419 Cb 0.42 -0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1hj3 n THR 419 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hj3 s ASP 420 N -2.85 3.24 0.35 3.42 2.15 -1.26 -4.96 116.67 116.77 1hj3 s ASP 420 Ca 0.33 -3.47 0.06 0.00 0.43 0.00 0.00 52.55 49.90 1hj3 s ASP 420 Cb 0.31 -1.07 0.66 0.00 -0.30 0.00 0.00 42.92 42.52 1hj3 s ASP 420 CO -0.03 -0.13 1.88 1.55 -0.17 0.00 0.00 175.17 178.28 1hj3 h PRO 421 N 5.54 0.41 0.08 4.34 0.13 -1.91 0.26 132.00 140.84 1hj3 h PRO 421 Ca 0.20 -0.09 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 1hj3 h PRO 421 Cb 0.83 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.92 1hj3 h PRO 421 CO 0.55 0.49 -0.66 0.93 -0.23 0.00 0.00 178.00 179.08 1hj3 h GLU 422 N 0.39 0.31 0.00 0.86 5.08 -1.94 -3.31 114.58 115.97 1hj3 h GLU 422 Ca 0.08 -0.44 -0.21 0.00 -1.00 0.00 0.00 59.36 57.79 1hj3 h GLU 422 Cb 0.36 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1hj3 h GLU 422 CO 0.02 1.16 -1.88 0.41 -1.00 0.00 0.00 179.01 177.72 1hj3 n GLY 423 N 1.41 -1.08 2.30 -3.84 0.00 -1.13 -4.50 105.19 98.36 1hj3 n GLY 423 Ca -0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1hj3 n GLY 423 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hj3 n HIS 424 N -2.73 0.88 -0.09 1.61 8.25 0.06 -5.02 115.22 118.19 1hj3 n HIS 424 Ca -0.17 -3.74 -0.07 0.00 -0.26 0.00 0.00 57.72 53.48 1hj3 n HIS 424 Cb 0.91 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1hj3 n HIS 424 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1hj3 h PRO 425 N 4.26 0.26 -0.02 -0.41 0.11 -1.65 -2.10 132.00 132.44 1hj3 h PRO 425 Ca 0.13 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1hj3 h PRO 425 Cb 0.81 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1hj3 h PRO 425 CO 0.57 0.17 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.96 1hj3 h ASP 426 N 0.27 0.03 1.15 -2.05 3.32 -1.91 -2.51 116.42 114.71 1hj3 h ASP 426 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1hj3 h ASP 426 Cb 0.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1hj3 h ASP 426 CO -0.13 0.17 -0.28 0.59 -1.72 0.00 0.00 179.24 177.87 1hj3 n ASN 427 N -4.37 0.70 -4.71 6.45 3.02 -0.84 -4.84 115.26 110.67 1hj3 n ASN 427 Ca -0.02 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1hj3 n ASN 427 Cb 0.21 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1hj3 n ASN 427 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hj3 s ALA 428 N -3.11 3.72 -1.88 5.41 0.00 -0.91 -2.69 121.76 122.30 1hj3 s ALA 428 Ca 0.09 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1hj3 s ALA 428 Cb 0.13 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1hj3 s ALA 428 CO 0.65 -0.84 0.00 0.91 0.00 0.00 0.00 175.76 176.48 1hj3 n TRP 429 N 4.42 -0.81 -4.90 0.00 5.03 0.28 -4.90 117.44 116.56 1hj3 n TRP 429 Ca 0.14 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.36 1hj3 n TRP 429 Cb 0.40 -3.90 -0.14 0.00 -1.03 0.00 0.00 31.31 26.63 1hj3 n TRP 429 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1hj3 s LYS 430 N -4.80 2.06 -0.27 -0.99 -0.14 -1.10 -4.85 119.74 109.65 1hj3 s LYS 430 Ca 0.00 -0.97 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 1hj3 s LYS 430 Cb 0.00 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1hj3 s LYS 430 CO 0.00 0.55 1.50 0.42 -0.76 0.00 0.00 175.35 177.06 1hj3 s ILE 431 N -0.80 3.85 -0.15 2.17 -1.09 -1.26 -2.38 121.20 121.55 1hj3 s ILE 431 Ca 0.12 0.95 0.19 0.00 -2.23 0.00 0.00 60.65 59.69 1hj3 s ILE 431 Cb -0.10 -3.90 -0.13 0.00 -1.58 0.00 0.00 42.46 36.74 1hj3 s ILE 431 CO 0.02 -0.40 0.79 0.18 -1.23 0.00 0.00 174.94 174.30 1hj3 n LEU 432 N 8.29 0.69 -3.53 2.97 4.77 0.04 -4.98 117.00 125.25 1hj3 n LEU 432 Ca 0.17 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1hj3 n LEU 432 Cb 0.46 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1hj3 n LEU 432 CO 0.65 0.06 0.66 -0.62 -1.33 0.00 0.00 177.39 176.81 1hj3 s ASP 433 N -5.49 -0.43 -0.12 -1.43 2.15 -1.24 -5.01 116.67 105.08 1hj3 s ASP 433 Ca -0.03 0.29 -0.08 0.00 0.43 0.00 0.00 52.55 53.16 1hj3 s ASP 433 Cb 0.09 0.39 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 1hj3 s ASP 433 CO 0.82 -0.53 0.30 -0.55 -0.17 0.00 0.00 175.17 175.05 1hj3 s SER 434 N -1.71 -0.35 0.08 -0.34 0.15 -1.26 -1.48 113.70 108.80 1hj3 s SER 434 Ca -0.01 0.65 -0.19 0.00 0.70 0.00 0.00 55.95 57.10 1hj3 s SER 434 Cb -0.01 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1hj3 s SER 434 CO -0.02 -0.16 0.45 0.72 1.20 0.00 0.00 173.24 175.43 1hj3 s PHE 435 N 1.04 -0.30 0.35 3.44 -0.12 -0.59 -4.95 117.98 116.85 1hj3 s PHE 435 Ca -0.07 0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 56.74 1hj3 s PHE 435 Cb -0.08 0.29 -0.10 0.00 -0.63 0.00 0.00 43.02 42.50 1hj3 s PHE 435 CO -0.08 -0.66 0.91 -1.25 -0.05 0.00 0.00 175.22 174.10 1hj3 s PRO 436 N -3.05 4.40 0.00 1.99 0.04 -1.26 -0.54 135.00 136.57 1hj3 s PRO 436 Ca -0.02 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1hj3 s PRO 436 Cb 0.00 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1hj3 s PRO 436 CO -0.07 0.18 0.00 0.00 0.04 0.00 0.00 177.00 177.15 1hj3 n ALA 437 N 0.12 0.00 -0.12 8.56 0.00 0.73 -4.89 120.51 124.91 1hj3 n ALA 437 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1hj3 n ALA 437 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1hj3 n ALA 437 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hj3 h LEU 438 N 0.00 0.87 0.00 0.00 3.38 -1.88 -3.49 115.31 114.19 1hj3 h LEU 438 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1hj3 h LEU 438 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1hj3 h LEU 438 CO 0.00 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.27 1hj3 n GLY 439 N 0.06 -2.07 3.66 0.83 0.00 -1.26 -5.04 105.19 101.37 1hj3 n GLY 439 Ca -0.02 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1hj3 n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hj3 s GLY 440 N 0.00 1.56 0.00 -0.02 0.00 -1.26 -4.18 107.32 103.43 1hj3 s GLY 440 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1hj3 s GLY 440 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1hj3 n GLY 441 N -0.92 0.58 3.78 0.20 0.00 0.31 -3.75 105.19 105.38 1hj3 n GLY 441 Ca 0.05 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1hj3 n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hj3 s SER 442 N -2.67 6.89 -0.01 1.61 0.15 -0.89 -0.82 113.70 117.95 1hj3 s SER 442 Ca 0.00 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1hj3 s SER 442 Cb 0.00 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1hj3 s SER 442 CO 0.00 -0.40 -0.01 0.18 1.20 0.00 0.00 173.24 174.21 1hj3 n LEU 443 N 0.25 2.86 -3.88 3.45 4.77 -1.26 -3.21 117.00 119.98 1hj3 n LEU 443 Ca 0.03 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1hj3 n LEU 443 Cb 0.48 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1hj3 n LEU 443 CO 0.47 0.50 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.30 1hj3 s PHE 444 N -2.03 0.26 0.02 -1.77 0.08 -1.26 -4.03 117.98 109.26 1hj3 s PHE 444 Ca -0.02 -0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.08 1hj3 s PHE 444 Cb 0.00 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 1hj3 s PHE 444 CO 0.03 -0.05 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.40 1hj3 s ILE 445 N 0.32 2.55 -0.10 0.64 2.07 -1.26 -2.31 121.20 123.10 1hj3 s ILE 445 Ca -0.03 -1.18 -0.15 0.00 -1.41 0.00 0.00 60.65 57.88 1hj3 s ILE 445 Cb -0.05 -2.02 0.04 0.00 0.13 0.00 0.00 42.46 40.55 1hj3 s ILE 445 CO -0.01 0.41 0.38 -0.75 -1.91 0.00 0.00 174.94 173.06 1hj3 s LYS 446 N -1.20 0.56 0.34 3.50 2.47 0.08 -4.49 119.74 121.00 1hj3 s LYS 446 Ca 0.13 0.30 -0.03 0.00 -1.56 0.00 0.00 55.97 54.81 1hj3 s LYS 446 Cb -0.10 0.26 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1hj3 s LYS 446 CO 0.03 -0.11 0.50 -2.37 0.16 0.00 0.00 175.35 173.56 1hj3 n THR 447 N 2.26 0.00 -3.70 3.43 5.66 -1.26 -0.90 114.28 119.77 1hj3 n THR 447 Ca -0.16 -1.62 -0.14 0.00 -3.05 0.00 0.00 64.05 59.07 1hj3 n THR 447 Cb 0.57 1.04 -0.08 0.00 -1.55 0.00 0.00 70.33 70.31 1hj3 n THR 447 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1hj3 s HIS 448 N -2.96 -0.34 0.56 1.09 2.46 -1.26 -4.73 115.29 110.10 1hj3 s HIS 448 Ca 0.26 0.61 0.25 0.00 0.47 0.00 0.00 55.06 56.65 1hj3 s HIS 448 Cb -0.01 0.18 1.50 0.00 -0.13 0.00 0.00 32.58 34.12 1hj3 s HIS 448 CO 0.19 -0.42 2.10 -1.35 -2.47 0.00 0.00 174.74 172.78 1hj3 h PRO 449 N 3.86 0.00 -0.01 2.88 0.11 -1.95 -1.28 132.00 135.62 1hj3 h PRO 449 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1hj3 h PRO 449 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hj3 h PRO 449 CO 0.37 0.00 -0.08 0.09 -0.21 0.00 0.00 178.00 178.17 1hj3 n ASN 450 N -4.14 1.21 -4.76 -2.05 3.02 -1.26 -4.91 115.26 102.36 1hj3 n ASN 450 Ca 0.02 -1.23 -0.30 0.00 -0.03 0.00 0.00 54.58 53.05 1hj3 n ASN 450 Cb 0.32 0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 1hj3 n ASN 450 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1hj3 s SER 451 N -2.18 5.44 -0.03 6.41 0.15 -0.48 -4.93 113.70 118.07 1hj3 s SER 451 Ca 0.34 -0.06 0.19 0.00 0.70 0.00 0.00 55.95 57.13 1hj3 s SER 451 Cb 0.20 -1.43 0.60 0.00 -1.71 0.00 0.00 66.02 63.69 1hj3 s SER 451 CO 0.40 0.16 1.50 0.00 1.20 0.00 0.00 173.24 176.50 1hj3 n GLN 452 N 0.38 2.99 -4.62 5.44 10.64 -1.26 -4.68 117.38 126.26 1hj3 n GLN 452 Ca -0.09 -2.61 -0.31 0.00 -1.83 0.00 0.00 57.00 52.16 1hj3 n GLN 452 Cb 0.52 -1.59 -0.12 0.00 -0.86 0.00 0.00 30.24 28.18 1hj3 n GLN 452 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1hj3 s TYR 453 N -1.23 2.57 -0.24 2.61 2.02 -1.26 -0.09 117.35 121.73 1hj3 s TYR 453 Ca 0.45 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 1hj3 s TYR 453 Cb 0.25 -1.46 0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1hj3 s TYR 453 CO 0.28 0.27 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.23 1hj3 s LEU 454 N -1.48 3.09 -0.17 -1.29 2.96 -0.15 -4.51 118.68 117.13 1hj3 s LEU 454 Ca 0.15 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1hj3 s LEU 454 Cb -0.11 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1hj3 s LEU 454 CO 0.06 -0.13 0.10 -0.31 -1.32 0.00 0.00 176.35 174.75 1hj3 s TYR 455 N 1.20 3.39 -0.09 5.38 1.51 -0.08 -1.15 117.35 127.50 1hj3 s TYR 455 Ca -0.04 0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.30 1hj3 s TYR 455 Cb -0.18 -2.07 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1hj3 s TYR 455 CO -0.07 0.35 -0.05 0.08 -1.11 0.00 0.00 175.55 174.75 1hj3 s VAL 456 N 0.03 0.77 0.77 0.71 1.01 0.26 -0.74 120.40 123.21 1hj3 s VAL 456 Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1hj3 s VAL 456 Cb -0.12 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.53 1hj3 s VAL 456 CO -0.00 0.32 1.09 1.51 0.00 0.00 0.00 175.10 178.02 1hj3 s ASP 457 N 1.69 4.34 -0.33 3.32 1.47 -0.98 -1.32 116.67 124.87 1hj3 s ASP 457 Ca 0.03 0.31 0.16 0.00 1.18 0.00 0.00 52.55 54.23 1hj3 s ASP 457 Cb -0.13 -0.77 0.45 0.00 -0.34 0.00 0.00 42.92 42.13 1hj3 s ASP 457 CO -0.06 -1.91 1.19 0.00 0.68 0.00 0.00 175.17 175.06 1hj3 n ALA 458 N -3.12 2.62 -0.24 2.11 0.00 -1.26 -4.40 120.51 116.22 1hj3 n ALA 458 Ca 0.11 -2.25 0.05 0.00 0.00 0.00 0.00 53.44 51.34 1hj3 n ALA 458 Cb 0.60 -0.92 0.17 0.00 0.00 0.00 0.00 19.45 19.31 1hj3 n ALA 458 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1hj3 h THR 459 N 3.61 0.57 -0.44 0.00 2.02 -1.59 -2.00 112.91 115.09 1hj3 h THR 459 Ca -0.21 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1hj3 h THR 459 Cb 1.25 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1hj3 h THR 459 CO 0.17 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.30 1hj3 n LEU 460 N -5.11 2.64 -4.77 2.58 4.77 0.00 -4.73 117.00 112.39 1hj3 n LEU 460 Ca 0.13 -1.27 -0.39 0.00 -0.03 0.00 0.00 56.01 54.45 1hj3 n LEU 460 Cb 0.43 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1hj3 n LEU 460 CO 0.15 0.63 0.98 0.21 -1.33 0.00 0.00 177.39 178.03 1hj3 s ASN 461 N -1.15 6.13 0.51 -1.43 3.84 -0.75 -4.75 114.94 117.33 1hj3 s ASN 461 Ca 0.34 2.70 0.30 0.00 0.21 0.00 0.00 52.86 56.41 1hj3 s ASN 461 Cb 0.18 -2.64 1.13 0.00 -0.55 0.00 0.00 41.25 39.37 1hj3 s ASN 461 CO 0.25 -0.98 1.90 1.55 -2.79 0.00 0.00 177.10 177.03 1hj3 h PRO 462 N 2.46 0.00 -5.68 0.43 0.13 -1.90 -3.41 132.00 124.03 1hj3 h PRO 462 Ca -0.50 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 1hj3 h PRO 462 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1hj3 h PRO 462 CO 0.62 0.07 0.09 -2.00 -0.23 0.00 0.00 178.00 176.54 1hj3 s GLU 463 N -3.62 4.23 0.26 0.86 2.12 -1.26 -4.98 118.70 116.32 1hj3 s GLU 463 Ca 0.02 0.61 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 1hj3 s GLU 463 Cb 0.09 -3.56 0.42 0.00 0.26 0.00 0.00 34.13 31.35 1hj3 s GLU 463 CO 0.58 -0.19 1.85 0.00 -0.54 0.00 0.00 175.26 176.97 1hj3 h ALA 464 N 7.38 1.35 -0.13 6.30 0.00 -1.97 -0.45 119.26 131.74 1hj3 h ALA 464 Ca -0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1hj3 h ALA 464 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1hj3 h ALA 464 CO 0.77 0.31 -0.01 0.93 0.00 0.00 0.00 179.25 181.25 1hj3 h GLU 465 N 1.04 0.19 0.18 0.00 5.08 -1.96 -1.27 114.58 117.83 1hj3 h GLU 465 Ca 0.43 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.43 1hj3 h GLU 465 Cb 0.27 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1hj3 h GLU 465 CO -0.21 0.22 -1.68 0.82 -1.00 0.00 0.00 179.01 177.16 1hj3 h ILE 466 N 0.19 0.97 0.00 3.13 2.04 -1.73 -3.28 117.51 118.82 1hj3 h ILE 466 Ca 0.05 -2.50 -0.05 0.00 1.00 0.00 0.00 64.86 63.36 1hj3 h ILE 466 Cb 0.15 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1hj3 h ILE 466 CO 0.00 0.83 -0.22 0.77 0.00 0.00 0.00 178.15 179.54 1hj3 h SER 467 N 0.03 0.00 -0.61 1.72 4.64 -0.94 -1.63 113.55 116.76 1hj3 h SER 467 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1hj3 h SER 467 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1hj3 h SER 467 CO 0.16 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 1hj3 n GLY 468 N -0.57 2.86 3.32 -0.77 0.00 -0.50 -0.84 105.19 108.69 1hj3 n GLY 468 Ca -0.02 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1hj3 n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hj3 s SER 469 N -0.82 1.61 -0.01 1.61 0.01 -0.61 -1.06 113.70 114.44 1hj3 s SER 469 Ca 0.53 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1hj3 s SER 469 Cb 0.38 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 1hj3 s SER 469 CO 0.20 -0.57 -0.09 -0.69 0.41 0.00 0.00 173.24 172.49 1hj3 s VAL 470 N -3.53 0.75 0.04 3.43 1.01 -0.58 -4.19 120.40 117.33 1hj3 s VAL 470 Ca 0.30 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1hj3 s VAL 470 Cb 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 1hj3 s VAL 470 CO 0.09 0.21 0.51 0.00 0.00 0.00 0.00 175.10 175.92 1hj3 s ALA 471 N -0.21 3.61 -0.15 5.51 0.00 -0.43 -0.58 121.76 129.51 1hj3 s ALA 471 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1hj3 s ALA 471 Cb -0.04 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1hj3 s ALA 471 CO -0.00 0.39 -0.08 0.08 0.00 0.00 0.00 175.76 176.15 1hj3 s VAL 472 N -0.96 1.26 -0.06 0.00 1.01 0.14 -0.57 120.40 121.22 1hj3 s VAL 472 Ca 0.27 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1hj3 s VAL 472 Cb -0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1hj3 s VAL 472 CO 0.17 0.26 0.17 -0.36 0.00 0.00 0.00 175.10 175.34 1hj3 s PHE 473 N 1.59 3.58 -0.52 5.22 0.40 -0.30 -1.15 117.98 126.80 1hj3 s PHE 473 Ca 0.02 0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 56.63 1hj3 s PHE 473 Cb -0.14 -1.90 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1hj3 s PHE 473 CO -0.08 0.69 0.64 0.34 0.70 0.00 0.00 175.22 177.50 1hj3 s ASP 474 N -1.49 6.22 0.31 1.36 -1.08 -1.26 -0.98 116.67 119.75 1hj3 s ASP 474 Ca 0.22 -0.99 0.02 0.00 -0.52 0.00 0.00 52.55 51.28 1hj3 s ASP 474 Cb -0.12 -2.29 0.58 0.00 -1.46 0.00 0.00 42.92 39.63 1hj3 s ASP 474 CO 0.12 -0.93 1.90 0.40 0.52 0.00 0.00 175.17 177.18 1hj3 h ILE 475 N 5.87 1.02 0.00 4.11 2.04 -0.86 -1.77 117.51 127.92 1hj3 h ILE 475 Ca -0.28 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1hj3 h ILE 475 Cb 1.09 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1hj3 h ILE 475 CO 0.99 0.18 -0.05 0.11 0.00 0.00 0.00 178.15 179.37 1hj3 h LYS 476 N 0.96 0.00 -0.01 2.37 1.57 -1.93 -1.90 116.57 117.64 1hj3 h LYS 476 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1hj3 h LYS 476 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1hj3 h LYS 476 CO -0.16 0.05 -0.22 0.00 -0.57 0.00 0.00 179.45 178.54 1hj3 n ALA 477 N -2.39 3.01 -2.23 3.86 0.00 -0.67 -4.89 120.51 117.19 1hj3 n ALA 477 Ca -0.03 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1hj3 n ALA 477 Cb 0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1hj3 n ALA 477 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1hj3 s MET 478 N -2.47 4.34 -0.01 0.00 -1.94 -0.71 -4.89 119.30 113.62 1hj3 s MET 478 Ca 0.26 1.99 0.09 0.00 -1.71 0.00 0.00 55.69 56.32 1hj3 s MET 478 Cb 0.19 -3.32 -0.11 0.00 2.01 0.00 0.00 34.83 33.61 1hj3 s MET 478 CO 0.50 -0.42 0.28 0.25 -0.01 0.00 0.00 175.02 175.62 1hj3 n THR 479 N 4.05 0.00 -3.92 2.05 -2.24 -1.26 -4.58 114.28 108.37 1hj3 n THR 479 Ca 0.11 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 1hj3 n THR 479 Cb 0.43 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1hj3 n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hj3 n GLY 480 N 1.58 -0.40 0.88 3.38 0.00 -1.26 -4.83 105.19 104.53 1hj3 n GLY 480 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1hj3 n GLY 480 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hj3 n ASP 481 N -2.88 2.60 0.00 1.61 5.75 -1.26 -4.91 116.55 117.46 1hj3 n ASP 481 Ca -0.08 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1hj3 n ASP 481 Cb 0.58 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1hj3 n ASP 481 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hj3 n GLY 482 N 1.32 3.25 3.80 6.12 0.00 -1.26 -5.05 105.19 113.37 1hj3 n GLY 482 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1hj3 n GLY 482 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hj3 s SER 483 N -1.08 5.09 -0.16 1.61 1.04 -1.26 -5.00 113.70 113.94 1hj3 s SER 483 Ca 0.00 1.67 -0.23 0.00 0.48 0.00 0.00 55.95 57.87 1hj3 s SER 483 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 1hj3 s SER 483 CO 0.00 -1.64 0.74 -1.81 0.98 0.00 0.00 173.24 171.51 1hj3 s ASP 484 N -3.67 6.87 0.31 7.02 1.01 -1.26 -4.91 116.67 122.05 1hj3 s ASP 484 Ca 0.59 1.07 -0.29 0.00 0.71 0.00 0.00 52.55 54.63 1hj3 s ASP 484 Cb -0.15 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1hj3 s ASP 484 CO 0.55 -0.30 1.41 -2.84 0.21 0.00 0.00 175.17 174.20 1hj3 s PRO 485 N 1.79 4.25 0.72 8.23 0.02 -1.26 -5.00 135.00 143.76 1hj3 s PRO 485 Ca 0.35 2.35 -0.11 0.00 0.02 0.00 0.00 61.00 63.61 1hj3 s PRO 485 Cb -0.17 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1hj3 s PRO 485 CO 0.13 -0.37 1.08 -1.21 -0.33 0.00 0.00 177.00 176.29 1hj3 s GLU 486 N -1.30 2.65 0.07 5.54 2.02 -1.26 -4.92 118.70 121.50 1hj3 s GLU 486 Ca 0.54 1.11 0.02 0.00 0.02 0.00 0.00 54.97 56.67 1hj3 s GLU 486 Cb -0.43 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1hj3 s GLU 486 CO 0.52 -1.33 -0.07 -0.59 0.02 0.00 0.00 175.26 173.80 1hj3 s PHE 487 N -2.86 0.76 0.14 1.61 -0.12 -1.26 -4.51 117.98 111.74 1hj3 s PHE 487 Ca 0.61 -0.68 -0.11 0.00 -0.05 0.00 0.00 56.93 56.69 1hj3 s PHE 487 Cb -0.16 -0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 41.71 1hj3 s PHE 487 CO 0.53 -0.11 0.49 0.21 -0.05 0.00 0.00 175.22 176.28 1hj3 s LYS 488 N -2.57 3.85 -0.26 1.99 2.20 -0.30 -4.86 119.74 119.80 1hj3 s LYS 488 Ca -0.00 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.83 1hj3 s LYS 488 Cb -0.03 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1hj3 s LYS 488 CO -0.02 0.47 0.09 0.99 -0.36 0.00 0.00 175.35 176.52 1hj3 s THR 489 N -1.53 4.41 -0.23 3.43 2.01 -1.26 -0.68 115.64 121.78 1hj3 s THR 489 Ca 0.38 -0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1hj3 s THR 489 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1hj3 s THR 489 CO 0.20 0.31 0.36 -0.76 -0.69 0.00 0.00 174.62 174.03 1hj3 s LEU 490 N 1.62 4.11 -1.37 4.42 1.43 0.25 -4.94 118.68 124.21 1hj3 s LEU 490 Ca 0.06 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1hj3 s LEU 490 Cb -0.15 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 43.74 1hj3 s LEU 490 CO 0.04 -0.09 2.04 -0.81 0.23 0.00 0.00 176.35 177.76 1hj3 n PRO 491 N 4.74 3.21 -0.02 1.29 -0.04 -1.26 -1.52 135.00 141.40 1hj3 n PRO 491 Ca -0.09 -3.06 -0.10 0.00 -0.04 0.00 0.00 63.50 60.21 1hj3 n PRO 491 Cb 0.51 -3.14 -0.04 0.00 -0.04 0.00 0.00 33.50 30.79 1hj3 n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1hj3 h ILE 492 N 3.97 1.01 -0.77 0.52 1.08 -1.83 0.48 117.51 121.97 1hj3 h ILE 492 Ca 0.48 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.85 1hj3 h ILE 492 Cb 0.65 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 1hj3 h ILE 492 CO 1.74 0.03 0.29 0.00 -0.69 0.00 0.00 178.15 179.52 1hj3 h ALA 493 N 1.07 1.05 -0.67 1.87 0.00 -1.41 -2.31 119.26 118.86 1hj3 h ALA 493 Ca 0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1hj3 h ALA 493 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1hj3 h ALA 493 CO -0.03 0.66 0.11 1.49 0.00 0.00 0.00 179.25 181.48 1hj3 h GLU 494 N 1.13 1.11 -0.66 0.00 4.81 -1.65 -1.64 114.58 117.68 1hj3 h GLU 494 Ca 0.26 -0.30 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1hj3 h GLU 494 Cb 0.24 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1hj3 h GLU 494 CO -0.02 1.02 0.44 -1.49 -0.73 0.00 0.00 179.01 178.23 1hj3 h TRP 495 N 1.03 0.55 0.00 0.92 6.55 -0.52 -0.66 115.95 123.83 1hj3 h TRP 495 Ca 0.20 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.06 1hj3 h TRP 495 Cb 0.45 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1hj3 h TRP 495 CO 0.03 0.27 0.00 0.00 -1.05 0.00 0.00 178.44 177.69 1hj3 h ALA 496 N 1.66 1.00 -0.18 1.49 0.00 -0.77 -3.47 119.26 118.99 1hj3 h ALA 496 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1hj3 h ALA 496 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1hj3 h ALA 496 CO -0.09 0.00 -0.04 0.41 0.00 0.00 0.00 179.25 179.52 1hj3 n GLY 497 N 0.82 0.39 3.19 0.00 0.00 -0.26 -5.03 105.19 104.31 1hj3 n GLY 497 Ca 0.04 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1hj3 n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hj3 s ILE 498 N -2.08 2.63 0.00 -0.61 1.01 -1.11 -4.90 121.20 116.14 1hj3 s ILE 498 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1hj3 s ILE 498 Cb 0.00 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1hj3 s ILE 498 CO 0.00 0.38 0.00 0.35 0.00 0.00 0.00 174.94 175.67 1hj3 n THR 499 N 4.67 0.00 -1.44 2.92 -2.24 -1.26 -4.53 114.28 112.40 1hj3 n THR 499 Ca -0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 1hj3 n THR 499 Cb 0.49 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.93 1hj3 n THR 499 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hj3 n GLU 500 N -1.77 0.48 0.00 -0.78 0.28 -1.26 -4.48 120.64 113.11 1hj3 n GLU 500 Ca 0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1hj3 n GLU 500 Cb 0.41 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1hj3 n GLU 500 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1hj3 n GLY 501 N 1.87 2.96 2.46 -1.84 0.00 -1.26 -4.07 105.19 105.31 1hj3 n GLY 501 Ca 0.11 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1hj3 n GLY 501 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hj3 s GLN 502 N 0.00 0.58 0.04 1.61 0.74 -1.26 -5.12 119.66 116.25 1hj3 s GLN 502 Ca 0.00 -1.39 -0.31 0.00 0.05 0.00 0.00 55.36 53.71 1hj3 s GLN 502 Cb 0.00 -1.28 -0.06 0.00 1.10 0.00 0.00 33.01 32.76 1hj3 s GLN 502 CO 0.00 -1.23 1.35 -1.25 -0.55 0.00 0.00 175.29 173.61 1hj3 s PRO 503 N 0.98 4.32 -0.17 1.67 0.04 -1.26 -4.76 135.00 135.82 1hj3 s PRO 503 Ca 0.20 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1hj3 s PRO 503 Cb -0.20 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1hj3 s PRO 503 CO -0.01 -0.47 -0.02 1.03 0.04 0.00 0.00 177.00 177.56 1hj3 s ARG 504 N 1.79 3.68 0.05 4.56 0.52 -0.22 -4.44 118.95 124.89 1hj3 s ARG 504 Ca 0.63 -0.51 -0.20 0.00 -0.52 0.00 0.00 55.73 55.13 1hj3 s ARG 504 Cb -0.32 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.11 1hj3 s ARG 504 CO 0.28 0.18 0.58 0.14 0.02 0.00 0.00 175.30 176.50 1hj3 s VAL 505 N 0.53 4.79 -0.11 3.52 -7.23 -0.02 -0.64 120.40 121.24 1hj3 s VAL 505 Ca -0.02 1.23 -0.10 0.00 -1.81 0.00 0.00 61.98 61.27 1hj3 s VAL 505 Cb -0.14 -3.91 0.03 0.00 0.56 0.00 0.00 36.38 32.92 1hj3 s VAL 505 CO 0.02 0.51 0.29 0.54 -0.31 0.00 0.00 175.10 176.16 1hj3 s VAL 506 N -0.80 0.00 -0.10 1.32 0.11 -0.31 -3.91 120.40 116.72 1hj3 s VAL 506 Ca 0.30 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1hj3 s VAL 506 Cb -0.19 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1hj3 s VAL 506 CO 0.18 -0.01 0.15 1.67 -3.33 0.00 0.00 175.10 173.76 1hj3 n GLN 507 N 2.86 -4.86 -2.40 1.54 7.27 -1.26 -2.00 117.38 118.52 1hj3 n GLN 507 Ca -0.13 3.59 -0.40 0.00 0.07 0.00 0.00 57.00 60.13 1hj3 n GLN 507 Cb 0.58 -4.90 -0.04 0.00 2.41 0.00 0.00 30.24 28.29 1hj3 n GLN 507 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1hj3 s GLY 508 N -0.63 3.01 -0.06 1.69 0.00 -1.26 -4.25 107.32 105.82 1hj3 s GLY 508 Ca -0.17 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 1hj3 s GLY 508 CO 0.45 1.53 0.13 1.85 0.00 0.00 0.00 173.10 177.06 1hj3 s GLU 509 N -1.69 0.05 0.41 2.90 2.56 -0.55 -4.90 118.70 117.48 1hj3 s GLU 509 Ca 0.48 0.39 -0.05 0.00 0.00 0.00 0.00 54.97 55.78 1hj3 s GLU 509 Cb -0.32 -0.22 -0.04 0.00 2.00 0.00 0.00 34.13 35.54 1hj3 s GLU 509 CO 0.41 -0.20 0.70 -0.06 -0.56 0.00 0.00 175.26 175.55 1hj3 s PHE 510 N 1.44 3.52 1.02 5.30 0.40 -1.26 -0.24 117.98 128.16 1hj3 s PHE 510 Ca -0.06 0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 56.86 1hj3 s PHE 510 Cb -0.12 -2.23 0.21 0.00 0.51 0.00 0.00 43.02 41.39 1hj3 s PHE 510 CO -0.05 -0.10 1.22 0.54 0.70 0.00 0.00 175.22 177.52 1hj3 s ASN 511 N -3.76 2.58 0.30 1.36 4.22 -0.82 -4.59 114.94 114.23 1hj3 s ASN 511 Ca 0.46 0.53 -0.02 0.00 -2.14 0.00 0.00 52.86 51.69 1hj3 s ASN 511 Cb -0.10 -0.75 0.44 0.00 1.28 0.00 0.00 41.25 42.12 1hj3 s ASN 511 CO 0.38 -3.09 1.97 0.50 -2.04 0.00 0.00 177.10 174.82 1hj3 h LYS 512 N -1.88 1.09 0.00 3.55 3.64 -1.87 -2.48 116.57 118.62 1hj3 h LYS 512 Ca -0.46 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1hj3 h LYS 512 Cb 1.27 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1hj3 h LYS 512 CO 0.43 0.72 -0.12 -0.25 -2.27 0.00 0.00 179.45 177.96 1hj3 n ASP 513 N -4.41 0.23 -1.47 4.20 8.00 -1.26 -4.93 116.55 116.91 1hj3 n ASP 513 Ca 0.10 0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.84 1hj3 n ASP 513 Cb 0.03 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1hj3 n ASP 513 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hj3 n GLY 514 N 1.47 -0.01 0.10 0.44 0.00 -0.94 -4.79 105.19 101.47 1hj3 n GLY 514 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1hj3 n GLY 514 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hj3 n THR 515 N -3.95 0.00 -3.94 2.61 -2.24 -1.26 -4.28 114.28 101.21 1hj3 n THR 515 Ca -0.09 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1hj3 n THR 515 Cb 0.58 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 1hj3 n THR 515 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hj3 s GLU 516 N -1.55 0.26 -0.04 -0.78 2.02 -1.26 -1.67 118.70 115.68 1hj3 s GLU 516 Ca 0.05 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.64 1hj3 s GLU 516 Cb 0.07 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1hj3 s GLU 516 CO 0.29 -0.05 -0.14 0.54 0.02 0.00 0.00 175.26 175.92 1hj3 s VAL 517 N -1.11 1.22 -0.05 2.63 0.11 -0.47 -1.94 120.40 120.79 1hj3 s VAL 517 Ca -0.12 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1hj3 s VAL 517 Cb -0.07 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1hj3 s VAL 517 CO -0.00 0.36 -0.02 0.26 -3.33 0.00 0.00 175.10 172.37 1hj3 s TRP 518 N 0.21 3.07 0.03 1.54 0.52 0.66 -0.81 118.94 124.16 1hj3 s TRP 518 Ca -0.06 0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.22 1hj3 s TRP 518 Cb -0.12 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1hj3 s TRP 518 CO 0.02 0.43 -0.16 -0.06 0.02 0.00 0.00 176.95 177.20 1hj3 s PHE 519 N -0.94 1.38 -0.07 -1.98 0.08 -0.11 -1.49 117.98 114.86 1hj3 s PHE 519 Ca 0.15 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.68 1hj3 s PHE 519 Cb -0.11 -0.83 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 1hj3 s PHE 519 CO 0.05 0.04 0.47 -1.12 -0.10 0.00 0.00 175.22 174.57 1hj3 s SER 520 N -1.06 6.76 -0.77 1.36 0.01 -0.85 -0.96 113.70 118.18 1hj3 s SER 520 Ca 0.03 0.90 -0.12 0.00 1.31 0.00 0.00 55.95 58.08 1hj3 s SER 520 Cb -0.08 -2.29 0.20 0.00 0.21 0.00 0.00 66.02 64.07 1hj3 s SER 520 CO 0.01 0.10 0.69 -0.69 0.41 0.00 0.00 173.24 173.77 1hj3 s VAL 521 N 0.05 5.21 -0.55 3.43 1.01 0.15 -1.16 120.40 128.54 1hj3 s VAL 521 Ca 0.26 -2.53 -0.25 0.00 0.00 0.00 0.00 61.98 59.46 1hj3 s VAL 521 Cb -0.16 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.01 1hj3 s VAL 521 CO 0.12 -0.99 0.99 0.86 0.00 0.00 0.00 175.10 176.07 1hj3 s TRP 522 N 0.17 2.76 0.47 5.22 -0.00 0.18 -2.21 118.94 125.53 1hj3 s TRP 522 Ca 0.17 0.08 0.05 0.00 -0.00 0.00 0.00 56.10 56.40 1hj3 s TRP 522 Cb -0.13 -4.15 -0.02 0.00 -0.00 0.00 0.00 33.47 29.17 1hj3 s TRP 522 CO -0.07 -1.38 0.17 1.21 -0.00 0.00 0.00 176.95 176.88 1hj3 s ASN 523 N 2.84 4.35 0.92 5.86 3.84 -1.26 -1.05 114.94 130.44 1hj3 s ASN 523 Ca 0.33 -1.29 -0.10 0.00 0.21 0.00 0.00 52.86 52.00 1hj3 s ASN 523 Cb -0.12 -0.01 0.15 0.00 -0.55 0.00 0.00 41.25 40.73 1hj3 s ASN 523 CO 0.21 -0.75 1.12 -0.83 -2.79 0.00 0.00 177.10 174.06 1hj3 s GLY 524 N -3.97 1.67 0.42 1.21 0.00 -1.26 -4.23 107.32 101.16 1hj3 s GLY 524 Ca 0.30 0.45 0.13 0.00 0.00 0.00 0.00 44.72 45.60 1hj3 s GLY 524 CO 0.17 0.89 1.96 0.07 0.00 0.00 0.00 173.10 176.19 1hj3 h LYS 525 N -1.85 0.45 -0.53 2.90 2.10 -1.99 -0.61 116.57 117.03 1hj3 h LYS 525 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1hj3 h LYS 525 Cb 1.27 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1hj3 h LYS 525 CO 0.44 0.29 0.00 -0.25 -2.00 0.00 0.00 179.45 177.94 1hj3 n ASP 526 N -4.48 5.24 -4.74 7.07 8.00 -1.26 -4.86 116.55 121.53 1hj3 n ASP 526 Ca 0.11 -2.86 -0.30 0.00 0.71 0.00 0.00 54.79 52.45 1hj3 n ASP 526 Cb 0.39 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1hj3 n ASP 526 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hj3 s GLN 527 N -2.61 2.15 -0.17 -1.24 -1.52 -0.24 -5.12 119.66 110.92 1hj3 s GLN 527 Ca 0.52 -2.21 -0.18 0.00 -1.95 0.00 0.00 55.36 51.54 1hj3 s GLN 527 Cb 0.39 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.45 1hj3 s GLN 527 CO 0.16 -0.28 0.49 -2.00 -0.25 0.00 0.00 175.29 173.41 1hj3 s GLU 528 N -3.89 4.25 0.50 2.91 2.12 -1.26 -4.76 118.70 118.57 1hj3 s GLU 528 Ca 0.21 0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.99 1hj3 s GLU 528 Cb 0.03 -3.51 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1hj3 s GLU 528 CO 0.12 -0.02 0.29 0.43 -0.54 0.00 0.00 175.26 175.54 1hj3 n SER 529 N 4.33 2.80 -3.80 -1.70 7.64 -1.26 -4.59 113.62 117.03 1hj3 n SER 529 Ca -0.06 -2.84 -0.05 0.00 1.01 0.00 0.00 58.87 56.93 1hj3 n SER 529 Cb 0.51 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1hj3 n SER 529 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hj3 s ALA 530 N -2.76 -1.47 -0.07 -0.43 0.00 -0.94 -4.73 121.76 111.37 1hj3 s ALA 530 Ca 0.22 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.16 1hj3 s ALA 530 Cb -0.02 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1hj3 s ALA 530 CO 0.14 -1.04 -0.19 -0.51 0.00 0.00 0.00 175.76 174.16 1hj3 s LEU 531 N -2.93 2.44 -0.19 0.00 1.43 -0.49 0.35 118.68 119.28 1hj3 s LEU 531 Ca 0.12 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1hj3 s LEU 531 Cb -0.03 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1hj3 s LEU 531 CO 0.04 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.14 1hj3 s VAL 532 N -0.27 3.34 -0.28 -1.59 1.01 -0.13 -0.36 120.40 122.12 1hj3 s VAL 532 Ca 0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1hj3 s VAL 532 Cb -0.13 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1hj3 s VAL 532 CO 0.03 0.45 0.17 -0.69 0.00 0.00 0.00 175.10 175.06 1hj3 s VAL 533 N 1.12 5.09 -0.14 2.92 1.01 0.54 -0.93 120.40 130.00 1hj3 s VAL 533 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1hj3 s VAL 533 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1hj3 s VAL 533 CO -0.01 0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.71 1hj3 s VAL 534 N 1.72 4.87 -0.42 2.92 1.01 0.01 -0.85 120.40 129.67 1hj3 s VAL 534 Ca 0.07 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1hj3 s VAL 534 Cb -0.16 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1hj3 s VAL 534 CO 0.09 0.54 1.27 -0.62 0.00 0.00 0.00 175.10 176.38 1hj3 s ASP 535 N -0.30 6.53 0.39 3.32 -1.08 -0.22 -1.37 116.67 123.95 1hj3 s ASP 535 Ca 0.09 0.75 0.08 0.00 -0.52 0.00 0.00 52.55 52.95 1hj3 s ASP 535 Cb -0.12 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.60 1hj3 s ASP 535 CO 0.02 -1.29 1.96 -0.78 0.52 0.00 0.00 175.17 175.60 1hj3 h ASP 536 N 9.79 0.32 -0.49 -0.34 3.58 -1.64 0.28 116.42 127.93 1hj3 h ASP 536 Ca -0.25 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.03 1hj3 h ASP 536 Cb 1.08 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1hj3 h ASP 536 CO 1.09 0.38 -0.18 0.11 -2.88 0.00 0.00 179.24 177.77 1hj3 h LYS 537 N 0.35 0.99 0.00 0.28 1.79 -1.92 -3.34 116.57 114.72 1hj3 h LYS 537 Ca 0.08 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1hj3 h LYS 537 Cb 0.23 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1hj3 h LYS 537 CO 0.00 1.08 -1.56 0.25 -1.08 0.00 0.00 179.45 178.15 1hj3 n THR 538 N -4.14 0.00 -2.33 -0.16 -2.24 -1.14 -4.98 114.28 99.28 1hj3 n THR 538 Ca 0.00 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1hj3 n THR 538 Cb 0.44 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1hj3 n THR 538 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hj3 n LEU 539 N -1.93 -1.78 -4.69 3.22 4.77 0.97 -5.00 117.00 112.56 1hj3 n LEU 539 Ca -0.02 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1hj3 n LEU 539 Cb 0.42 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 38.99 1hj3 n LEU 539 CO 0.37 -0.17 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.38 1hj3 s GLU 540 N -4.85 2.44 0.19 3.23 2.02 -1.22 -4.91 118.70 115.60 1hj3 s GLU 540 Ca 0.01 -1.35 -0.32 0.00 0.02 0.00 0.00 54.97 53.33 1hj3 s GLU 540 Cb -0.00 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 31.86 1hj3 s GLU 540 CO 0.01 0.35 1.72 -1.17 0.02 0.00 0.00 175.26 176.18 1hj3 s LEU 541 N -3.73 4.37 -0.17 1.80 2.96 -1.26 -1.06 118.68 121.60 1hj3 s LEU 541 Ca 0.32 2.81 -0.14 0.00 -0.22 0.00 0.00 54.13 56.90 1hj3 s LEU 541 Cb -0.06 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 1hj3 s LEU 541 CO 0.21 -0.96 -0.29 1.17 -1.32 0.00 0.00 176.35 175.17 1hj3 n LYS 542 N 4.28 0.45 -3.67 1.98 3.00 -0.03 -4.80 118.16 119.37 1hj3 n LYS 542 Ca 0.16 0.19 -0.14 0.00 -0.00 0.00 0.00 58.31 58.51 1hj3 n LYS 542 Cb 0.36 -1.28 -0.08 0.00 0.00 0.00 0.00 35.03 34.03 1hj3 n LYS 542 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1hj3 s HIS 543 N -2.64 -0.52 -0.19 5.64 5.04 -1.00 -5.01 115.29 116.61 1hj3 s HIS 543 Ca -0.27 1.15 -0.03 0.00 -1.54 0.00 0.00 55.06 54.37 1hj3 s HIS 543 Cb 0.06 0.22 -0.02 0.00 0.04 0.00 0.00 32.58 32.89 1hj3 s HIS 543 CO 0.37 -0.36 -0.05 0.08 -2.34 0.00 0.00 174.74 172.44 1hj3 s VAL 544 N -0.30 3.54 -0.32 0.89 1.01 -1.26 -0.34 120.40 123.62 1hj3 s VAL 544 Ca -0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1hj3 s VAL 544 Cb -0.03 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1hj3 s VAL 544 CO 0.03 0.45 0.24 -0.63 0.00 0.00 0.00 175.10 175.20 1hj3 s ILE 545 N 1.00 5.28 0.00 2.22 1.01 0.52 -4.97 121.20 126.25 1hj3 s ILE 545 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1hj3 s ILE 545 Cb -0.15 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1hj3 s ILE 545 CO 0.01 0.06 -0.10 -0.54 0.00 0.00 0.00 174.94 174.36 1hj3 s LYS 546 N 1.77 0.79 -0.24 2.79 1.02 -1.26 -1.40 119.74 123.22 1hj3 s LYS 546 Ca 0.07 -0.42 -0.26 0.00 0.02 0.00 0.00 55.97 55.38 1hj3 s LYS 546 Cb -0.17 -0.76 0.10 0.00 -0.52 0.00 0.00 37.83 36.48 1hj3 s LYS 546 CO 0.11 0.20 0.88 0.34 -0.92 0.00 0.00 175.35 175.96 1hj3 s ASP 547 N -0.41 -0.57 0.57 2.83 -1.08 -1.26 -5.02 116.67 111.73 1hj3 s ASP 547 Ca 0.03 1.01 0.26 0.00 -0.52 0.00 0.00 52.55 53.32 1hj3 s ASP 547 Cb -0.05 0.99 1.61 0.00 -1.46 0.00 0.00 42.92 44.02 1hj3 s ASP 547 CO -0.00 -0.25 2.17 -0.33 0.52 0.00 0.00 175.17 177.27 1hj3 h GLU 548 N 4.18 0.00 0.00 4.34 4.39 -2.01 -0.79 114.58 124.69 1hj3 h GLU 548 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1hj3 h GLU 548 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1hj3 h GLU 548 CO 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.99 1hj3 h ARG 549 N 0.00 0.00 -4.84 2.33 3.08 -2.02 -3.41 114.38 109.52 1hj3 h ARG 549 Ca 0.04 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.40 1hj3 h ARG 549 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1hj3 h ARG 549 CO -0.00 0.00 2.70 -0.11 -1.07 0.00 0.00 179.97 181.49 1hj3 n LEU 550 N -2.33 5.99 -4.67 3.04 7.94 -0.30 -4.93 117.00 121.72 1hj3 n LEU 550 Ca 0.05 -4.05 -0.39 0.00 -1.11 0.00 0.00 56.01 50.51 1hj3 n LEU 550 Cb 0.39 -1.70 -0.06 0.00 0.53 0.00 0.00 43.42 42.57 1hj3 n LEU 550 CO 0.28 0.67 0.26 -0.69 -1.11 0.00 0.00 177.39 176.80 1hj3 s VAL 551 N 3.64 5.10 -1.22 1.96 1.01 -1.26 -4.44 120.40 125.19 1hj3 s VAL 551 Ca 0.50 1.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 1hj3 s VAL 551 Cb 0.09 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1hj3 s VAL 551 CO -0.01 0.19 0.67 0.35 0.00 0.00 0.00 175.10 176.30 1hj3 n THR 552 N 4.40 -3.67 -2.12 3.92 -2.24 -1.26 -3.59 114.28 109.71 1hj3 n THR 552 Ca -0.04 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 1hj3 n THR 552 Cb 0.50 -2.91 -0.03 0.00 -2.10 0.00 0.00 70.33 65.80 1hj3 n THR 552 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1hj3 s PRO 553 N -6.93 4.25 0.00 -0.78 0.04 -1.26 -1.88 135.00 128.44 1hj3 s PRO 553 Ca 0.44 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1hj3 s PRO 553 Cb -0.21 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1hj3 s PRO 553 CO 0.94 -0.64 0.00 0.25 0.04 0.00 0.00 177.00 177.59 1hj3 n THR 554 N 4.73 0.00 -2.01 1.26 -2.24 -0.66 -4.20 114.28 111.15 1hj3 n THR 554 Ca 0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1hj3 n THR 554 Cb 0.43 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1hj3 n THR 554 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hj3 s GLY 555 N 0.00 2.83 -0.05 3.38 0.00 -1.26 -4.68 107.32 107.54 1hj3 s GLY 555 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1hj3 s GLY 555 CO 0.00 2.08 -0.14 0.54 0.00 0.00 0.00 173.10 175.58 1hj3 s LYS 556 N -1.56 1.68 -0.12 2.90 1.02 -1.26 -0.49 119.74 121.91 1hj3 s LYS 556 Ca 0.52 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 55.99 1hj3 s LYS 556 Cb -0.42 -1.43 0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1hj3 s LYS 556 CO 0.53 0.15 -0.01 -0.06 -0.92 0.00 0.00 175.35 175.04 1hj3 s PHE 557 N 0.29 1.01 0.15 3.18 0.08 -0.38 -4.82 117.98 117.50 1hj3 s PHE 557 Ca -0.08 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.12 1hj3 s PHE 557 Cb -0.13 -0.99 -0.07 0.00 -0.57 0.00 0.00 43.02 41.26 1hj3 s PHE 557 CO 0.03 -0.47 1.10 1.21 -0.10 0.00 0.00 175.22 176.99 1hj3 s ASN 558 N 1.86 7.25 0.12 1.36 3.84 -1.26 -0.72 114.94 127.40 1hj3 s ASN 558 Ca 0.03 2.06 -0.23 0.00 0.21 0.00 0.00 52.86 54.92 1hj3 s ASN 558 Cb -0.14 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.92 1hj3 s ASN 558 CO -0.07 -0.25 1.67 0.58 -2.79 0.00 0.00 177.10 176.24 1hj3 h VAL 559 N 3.87 0.59 -0.27 -5.21 2.07 -1.14 -1.35 116.25 114.81 1hj3 h VAL 559 Ca -0.44 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1hj3 h VAL 559 Cb 1.21 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1hj3 h VAL 559 CO 0.74 0.00 0.01 0.22 0.02 0.00 0.00 177.57 178.56 1hj3 h TYR 560 N -0.23 0.51 0.00 1.57 3.20 -1.59 -0.81 116.97 119.62 1hj3 h TYR 560 Ca 0.08 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1hj3 h TYR 560 Cb 0.34 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1hj3 h TYR 560 CO -0.25 0.61 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.69 1hj3 h ASN 561 N 0.27 0.00 0.14 -2.11 2.35 -1.81 -2.20 115.58 112.21 1hj3 h ASN 561 Ca 0.08 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.61 1hj3 h ASN 561 Cb 0.39 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.78 1hj3 h ASN 561 CO 0.01 0.28 -1.00 0.74 -1.65 0.00 0.00 177.43 175.82 1hj3 h THR 562 N 0.00 1.38 -0.21 2.81 2.02 -1.05 -0.69 112.91 117.17 1hj3 h THR 562 Ca -0.00 -2.51 -0.05 0.00 0.77 0.00 0.00 66.41 64.62 1hj3 h THR 562 Cb 0.55 3.07 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 1hj3 h THR 562 CO 0.04 0.71 -0.07 0.00 0.37 0.00 0.00 175.52 176.57 1hj3 h MET 563 N -0.34 0.32 -0.02 6.66 -0.00 -1.06 -2.85 114.93 117.64 1hj3 h MET 563 Ca -0.19 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.44 1hj3 h MET 563 Cb 1.69 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 33.25 1hj3 h MET 563 CO 0.13 0.41 -0.14 0.25 -0.00 0.00 0.00 176.91 177.56 1hj3 n THR 564 N -4.29 0.00 -3.69 -0.10 -2.24 -0.84 -4.77 114.28 98.34 1hj3 n THR 564 Ca -0.00 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 1hj3 n THR 564 Cb 0.25 1.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1hj3 n THR 564 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hj3 n ASP 565 N 0.69 -1.57 -4.40 3.42 8.00 -0.97 -4.93 116.55 116.79 1hj3 n ASP 565 Ca 0.13 -0.80 -0.44 0.00 0.71 0.00 0.00 54.79 54.39 1hj3 n ASP 565 Cb 0.51 -4.14 -0.06 0.00 -0.02 0.00 0.00 41.12 37.41 1hj3 n ASP 565 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hj3 s THR 566 N -3.61 4.99 0.00 -3.53 2.01 -0.30 -5.01 115.64 110.18 1hj3 s THR 566 Ca 0.06 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1hj3 s THR 566 Cb -0.03 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1hj3 s THR 566 CO 0.81 -0.84 0.00 0.00 -0.69 0.00 0.00 174.62 173.90