#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hn3 n GLN 24 N 0.00 0.00 0.00 1.47 -0.06 -1.26 -4.92 117.38 112.61 3hn3 n GLN 24 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3hn3 n GLN 24 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3hn3 n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hn3 n GLY 25 N 0.00 -1.88 3.95 1.69 0.00 -1.26 -4.93 105.19 102.76 3hn3 n GLY 25 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 3hn3 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hn3 n GLY 26 N 0.00 -0.33 2.66 -0.02 0.00 -1.24 -5.03 105.19 101.23 3hn3 n GLY 26 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 3hn3 n GLY 26 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hn3 n MET 27 N -3.33 1.05 -2.34 1.61 0.00 -1.26 -4.98 117.12 107.87 3hn3 n MET 27 Ca 0.17 -2.11 -0.41 0.00 0.00 0.00 0.00 57.70 55.35 3hn3 n MET 27 Cb 0.60 -0.96 -0.03 0.00 0.00 0.00 0.00 33.22 32.82 3hn3 n MET 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hn3 s LEU 28 N -2.46 4.49 0.08 -0.89 1.43 -1.26 -4.74 118.68 115.32 3hn3 s LEU 28 Ca 0.24 2.39 -0.31 0.00 -1.03 0.00 0.00 54.13 55.43 3hn3 s LEU 28 Cb 0.32 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 3hn3 s LEU 28 CO -0.06 -0.32 1.82 -0.47 0.23 0.00 0.00 176.35 177.55 3hn3 s TYR 29 N -0.84 1.94 0.49 0.29 5.04 -1.26 -4.92 117.35 118.08 3hn3 s TYR 29 Ca 0.48 -0.07 -0.24 0.00 -2.44 0.00 0.00 57.07 54.81 3hn3 s TYR 29 Cb -0.35 -4.14 -0.07 0.00 0.35 0.00 0.00 41.96 37.76 3hn3 s TYR 29 CO 0.43 -4.81 1.38 -2.14 -1.34 0.00 0.00 175.55 169.08 3hn3 s PRO 30 N 3.31 3.47 0.05 4.97 0.02 -1.26 -5.03 135.00 140.53 3hn3 s PRO 30 Ca 0.81 2.31 -0.13 0.00 0.02 0.00 0.00 61.00 64.01 3hn3 s PRO 30 Cb -0.43 -2.48 0.02 0.00 0.02 0.00 0.00 34.50 31.62 3hn3 s PRO 30 CO 0.37 -0.95 0.28 1.14 -0.33 0.00 0.00 177.00 177.51 3hn3 s GLN 31 N -2.64 0.81 0.43 5.54 -2.07 -1.26 -5.12 119.66 115.35 3hn3 s GLN 31 Ca 0.65 -0.58 -0.22 0.00 -1.82 0.00 0.00 55.36 53.40 3hn3 s GLN 31 Cb -0.42 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 31.75 3hn3 s GLN 31 CO 0.52 -0.26 0.98 -1.21 -1.32 0.00 0.00 175.29 174.00 3hn3 s GLU 32 N -2.75 4.13 0.36 9.60 8.01 -1.26 -4.67 118.70 132.13 3hn3 s GLU 32 Ca -0.04 1.25 -0.15 0.00 0.01 0.00 0.00 54.97 56.04 3hn3 s GLU 32 Cb -0.00 -2.25 0.04 0.00 -4.31 0.00 0.00 34.13 27.61 3hn3 s GLU 32 CO -0.05 -0.13 0.74 -1.54 0.01 0.00 0.00 175.26 174.30 3hn3 s SER 33 N -2.01 0.06 0.58 -0.19 1.04 -0.76 -4.93 113.70 107.49 3hn3 s SER 33 Ca 0.62 -1.11 0.28 0.00 0.48 0.00 0.00 55.95 56.23 3hn3 s SER 33 Cb -0.13 0.81 1.50 0.00 0.10 0.00 0.00 66.02 68.30 3hn3 s SER 33 CO 0.17 -1.60 1.95 -0.65 0.98 0.00 0.00 173.24 174.09 3hn3 h PRO 34 N 2.02 0.00 -0.02 4.02 0.11 -1.97 -2.38 132.00 133.78 3hn3 h PRO 34 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3hn3 h PRO 34 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hn3 h PRO 34 CO 0.38 0.00 -0.10 -1.13 -0.21 0.00 0.00 178.00 176.93 3hn3 n SER 35 N -3.83 1.94 -3.94 -2.05 3.41 -1.26 -5.00 113.62 102.89 3hn3 n SER 35 Ca 0.08 -1.47 -0.17 0.00 -0.26 0.00 0.00 58.87 57.04 3hn3 n SER 35 Cb 0.61 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.58 3hn3 n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hn3 s ARG 36 N -1.39 0.56 0.23 4.33 0.52 -0.90 -4.15 118.95 118.17 3hn3 s ARG 36 Ca 0.15 -0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.29 3hn3 s ARG 36 Cb 0.12 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 3hn3 s ARG 36 CO 0.24 0.05 -0.02 -1.21 0.02 0.00 0.00 175.30 174.39 3hn3 s GLU 37 N 0.25 2.29 -0.03 3.54 2.02 -1.22 -1.83 118.70 123.71 3hn3 s GLU 37 Ca -0.03 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.65 3hn3 s GLU 37 Cb -0.07 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.98 3hn3 s GLU 37 CO -0.00 0.39 -0.04 0.00 0.02 0.00 0.00 175.26 175.63 3hn3 s LYS 39 N 0.73 1.79 0.34 0.00 2.20 0.25 -5.01 119.74 120.04 3hn3 s LYS 39 Ca -0.09 -1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 54.20 3hn3 s LYS 39 Cb -0.12 -2.63 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 3hn3 s LYS 39 CO -0.00 -0.58 1.14 -1.21 -0.36 0.00 0.00 175.35 174.35 3hn3 s GLU 40 N 1.33 4.34 -0.29 4.03 8.01 -1.26 -1.05 118.70 133.81 3hn3 s GLU 40 Ca -0.06 1.83 0.09 0.00 0.01 0.00 0.00 54.97 56.83 3hn3 s GLU 40 Cb -0.19 -2.91 0.50 0.00 -4.31 0.00 0.00 34.13 27.23 3hn3 s GLU 40 CO -0.06 -0.07 1.44 1.28 0.01 0.00 0.00 175.26 177.86 3hn3 n LEU 41 N 0.58 4.01 -4.87 1.80 4.77 -0.02 -4.90 117.00 118.37 3hn3 n LEU 41 Ca 0.02 -3.82 -0.31 0.00 -0.03 0.00 0.00 56.01 51.87 3hn3 n LEU 41 Cb 0.46 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3hn3 n LEU 41 CO 0.52 1.30 0.73 -1.81 -1.33 0.00 0.00 177.39 176.80 3hn3 s ASP 42 N -2.63 5.94 0.00 -1.43 1.01 -1.26 -4.82 116.67 113.48 3hn3 s ASP 42 Ca 0.44 1.37 0.00 0.00 0.71 0.00 0.00 52.55 55.07 3hn3 s ASP 42 Cb 0.41 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.99 3hn3 s ASP 42 CO -0.01 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 174.92 3hn3 n GLY 43 N -2.72 0.19 3.69 0.21 0.00 0.78 -4.97 105.19 102.38 3hn3 n GLY 43 Ca 0.06 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3hn3 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hn3 s LEU 44 N 0.00 4.27 0.20 0.99 1.43 -1.26 -0.46 118.68 123.85 3hn3 s LEU 44 Ca 0.00 1.39 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3hn3 s LEU 44 Cb 0.00 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3hn3 s LEU 44 CO 0.00 -0.32 -0.15 0.26 0.23 0.00 0.00 176.35 176.37 3hn3 s TRP 45 N 1.54 2.49 0.42 0.29 0.52 -0.51 -4.94 118.94 118.76 3hn3 s TRP 45 Ca 0.44 -0.28 -0.20 0.00 0.02 0.00 0.00 56.10 56.08 3hn3 s TRP 45 Cb -0.18 -1.20 -0.10 0.00 -1.15 0.00 0.00 33.47 30.83 3hn3 s TRP 45 CO 0.19 0.53 0.92 -1.12 0.02 0.00 0.00 176.95 177.49 3hn3 s SER 46 N -2.87 6.88 -0.13 2.95 0.01 0.10 -0.47 113.70 120.16 3hn3 s SER 46 Ca 0.24 1.62 -0.11 0.00 1.31 0.00 0.00 55.95 59.01 3hn3 s SER 46 Cb -0.08 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.67 3hn3 s SER 46 CO 0.13 -0.36 0.34 0.12 0.41 0.00 0.00 173.24 173.88 3hn3 s PHE 47 N -2.20 -0.38 -0.09 2.43 2.19 0.51 -1.15 117.98 119.29 3hn3 s PHE 47 Ca 0.61 0.92 -0.04 0.00 0.33 0.00 0.00 56.93 58.75 3hn3 s PHE 47 Cb -0.09 0.13 0.04 0.00 -1.31 0.00 0.00 43.02 41.79 3hn3 s PHE 47 CO 0.16 -0.19 0.20 0.50 1.83 0.00 0.00 175.22 177.71 3hn3 s ARG 48 N 0.34 0.14 0.15 10.12 3.52 -0.57 -1.12 118.95 131.53 3hn3 s ARG 48 Ca -0.01 0.46 -0.24 0.00 -0.13 0.00 0.00 55.73 55.80 3hn3 s ARG 48 Cb -0.03 -0.15 -0.08 0.00 -1.56 0.00 0.00 34.95 33.13 3hn3 s ARG 48 CO -0.01 -0.17 0.74 0.00 -0.81 0.00 0.00 175.30 175.05 3hn3 s ALA 49 N 1.27 3.47 -0.81 6.12 0.00 -1.26 -0.38 121.76 130.17 3hn3 s ALA 49 Ca -0.09 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 3hn3 s ALA 49 Cb -0.11 -2.90 0.15 0.00 0.00 0.00 0.00 23.12 20.26 3hn3 s ALA 49 CO -0.07 0.30 0.91 0.34 0.00 0.00 0.00 175.76 177.24 3hn3 s ASP 50 N -1.10 6.55 -0.00 0.00 2.15 -0.56 -4.90 116.67 118.82 3hn3 s ASP 50 Ca 0.35 -2.06 0.04 0.00 0.43 0.00 0.00 52.55 51.30 3hn3 s ASP 50 Cb -0.22 -2.32 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 3hn3 s ASP 50 CO 0.25 -0.94 1.08 0.49 -0.17 0.00 0.00 175.17 175.88 3hn3 n PHE 51 N 5.74 0.17 -1.73 -5.34 3.72 -1.26 -4.63 117.46 114.14 3hn3 n PHE 51 Ca 0.12 -0.08 -0.39 0.00 -0.05 0.00 0.00 57.45 57.04 3hn3 n PHE 51 Cb 0.47 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.04 3hn3 n PHE 51 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hn3 n SER 52 N -0.14 2.61 -0.26 4.37 3.41 -1.26 -4.87 113.62 117.47 3hn3 n SER 52 Ca 0.04 1.02 0.03 0.00 -0.26 0.00 0.00 58.87 59.70 3hn3 n SER 52 Cb 0.11 -1.55 0.16 0.00 -0.26 0.00 0.00 64.21 62.68 3hn3 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hn3 h ASP 53 N 1.67 0.48 -0.11 4.04 3.32 -2.03 0.17 116.42 123.95 3hn3 h ASP 53 Ca -0.50 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3hn3 h ASP 53 Cb 1.30 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hn3 h ASP 53 CO 0.58 0.25 0.00 -0.46 -1.72 0.00 0.00 179.24 177.89 3hn3 n ASN 54 N -4.87 1.20 -0.68 6.45 0.23 -1.26 -4.93 115.26 111.40 3hn3 n ASN 54 Ca 0.13 -1.61 -0.09 0.00 -0.53 0.00 0.00 54.58 52.48 3hn3 n ASN 54 Cb 0.32 -0.07 -0.04 0.00 -2.08 0.00 0.00 39.78 37.92 3hn3 n ASN 54 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hn3 n ARG 55 N 0.01 -1.77 -0.28 -3.83 5.12 0.59 -4.78 116.66 111.71 3hn3 n ARG 55 Ca 0.16 0.80 0.03 0.00 -1.93 0.00 0.00 57.85 56.91 3hn3 n ARG 55 Cb 0.26 -5.25 0.04 0.00 -1.16 0.00 0.00 32.46 26.35 3hn3 n ARG 55 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hn3 n ARG 56 N -0.43 0.55 -0.34 5.56 1.85 -1.26 -4.50 116.66 118.09 3hn3 n ARG 56 Ca -0.09 -1.40 0.20 0.00 -1.00 0.00 0.00 57.85 55.56 3hn3 n ARG 56 Cb 0.58 -0.81 0.42 0.00 -1.05 0.00 0.00 32.46 31.60 3hn3 n ARG 56 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 3hn3 h ARG 57 N 0.00 0.48 -0.35 2.89 2.43 -1.92 0.42 114.38 118.33 3hn3 h ARG 57 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hn3 h ARG 57 Cb 1.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3hn3 h ARG 57 CO 0.00 0.32 0.22 0.78 -1.51 0.00 0.00 179.97 179.77 3hn3 h GLY 58 N 0.49 0.50 1.46 2.80 0.00 -1.96 0.20 103.07 106.56 3hn3 h GLY 58 Ca 0.67 -0.19 -0.27 0.00 0.00 0.00 0.00 47.33 47.54 3hn3 h GLY 58 CO -0.49 0.19 -1.37 0.74 0.00 0.00 0.00 176.54 175.60 3hn3 h PHE 59 N 0.48 0.17 -0.40 5.60 0.04 -1.39 -1.23 116.94 120.21 3hn3 h PHE 59 Ca 0.13 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3hn3 h PHE 59 Cb -0.03 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3hn3 h PHE 59 CO 0.00 1.14 0.22 0.93 -0.60 0.00 0.00 178.31 180.00 3hn3 h GLU 60 N 0.03 0.56 -0.06 1.51 5.08 -0.13 -2.69 114.58 118.87 3hn3 h GLU 60 Ca -0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3hn3 h GLU 60 Cb 1.92 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.07 3hn3 h GLU 60 CO 0.13 0.45 0.00 0.39 -1.00 0.00 0.00 179.01 178.98 3hn3 n GLU 61 N -4.73 1.79 -3.79 2.33 1.02 0.61 -4.98 120.64 112.90 3hn3 n GLU 61 Ca 0.00 -1.16 -0.32 0.00 -0.02 0.00 0.00 57.16 55.67 3hn3 n GLU 61 Cb 0.08 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3hn3 n GLU 61 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hn3 n GLN 62 N 0.40 -1.67 -0.29 3.49 6.02 -0.76 -4.84 117.38 119.73 3hn3 n GLN 62 Ca 0.18 0.40 0.15 0.00 -0.01 0.00 0.00 57.00 57.73 3hn3 n GLN 62 Cb 0.39 -4.06 0.41 0.00 1.02 0.00 0.00 30.24 28.00 3hn3 n GLN 62 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3hn3 h TRP 63 N -1.96 0.79 -0.00 1.08 6.55 -1.56 -2.01 115.95 118.83 3hn3 h TRP 63 Ca -0.66 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.20 3hn3 h TRP 63 Cb 1.37 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 29.43 3hn3 h TRP 63 CO 0.38 0.21 0.11 0.10 -1.05 0.00 0.00 178.44 178.19 3hn3 h TYR 64 N 0.60 0.00 0.00 0.49 -0.00 -1.88 -2.81 116.97 113.37 3hn3 h TYR 64 Ca 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.22 3hn3 h TYR 64 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.71 3hn3 h TYR 64 CO -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 178.16 178.06 3hn3 h ARG 65 N 0.00 0.00 -4.45 0.10 3.08 -1.64 -3.34 114.38 108.13 3hn3 h ARG 65 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3hn3 h ARG 65 Cb 0.21 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.11 3hn3 h ARG 65 CO -0.00 0.10 -0.68 1.03 -1.07 0.00 0.00 179.97 179.35 3hn3 s ARG 66 N -3.67 0.78 0.27 0.04 1.81 -1.06 -4.80 118.95 112.31 3hn3 s ARG 66 Ca 0.01 -1.32 -0.28 0.00 -1.72 0.00 0.00 55.73 52.42 3hn3 s ARG 66 Cb 0.10 0.05 -0.15 0.00 -0.45 0.00 0.00 34.95 34.50 3hn3 s ARG 66 CO 0.59 -0.11 0.89 -2.30 -0.68 0.00 0.00 175.30 173.68 3hn3 n PRO 67 N -0.01 1.02 -0.32 3.54 -0.02 -1.26 -4.84 135.00 133.11 3hn3 n PRO 67 Ca -0.11 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3hn3 n PRO 67 Cb 0.62 -1.64 0.20 0.00 -0.02 0.00 0.00 33.50 32.66 3hn3 n PRO 67 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hn3 h LEU 68 N 1.73 0.98 -2.81 2.45 5.85 -1.96 -1.64 115.31 119.91 3hn3 h LEU 68 Ca -0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3hn3 h LEU 68 Cb 1.36 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3hn3 h LEU 68 CO 0.60 0.65 0.01 4.11 -0.34 0.00 0.00 178.44 183.46 3hn3 h TRP 69 N 1.12 0.00 0.00 1.25 5.08 -1.88 -2.06 115.95 119.46 3hn3 h TRP 69 Ca 0.39 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.30 3hn3 h TRP 69 Cb 0.10 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 3hn3 h TRP 69 CO -0.00 0.00 -0.27 0.93 -1.28 0.00 0.00 178.44 177.82 3hn3 h GLU 70 N 0.00 0.00 -0.46 0.12 5.08 -1.64 -3.13 114.58 114.56 3hn3 h GLU 70 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hn3 h GLU 70 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3hn3 h GLU 70 CO -0.00 0.27 0.00 -1.13 -1.00 0.00 0.00 179.01 177.15 3hn3 n SER 71 N -3.51 3.41 0.00 1.42 3.41 -0.77 -5.04 113.62 112.54 3hn3 n SER 71 Ca -0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3hn3 n SER 71 Cb 0.43 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3hn3 n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hn3 n GLY 72 N 1.51 0.88 3.57 5.00 0.00 -1.18 -5.12 105.19 109.85 3hn3 n GLY 72 Ca 0.20 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3hn3 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hn3 n PRO 73 N -1.53 1.13 -4.30 1.61 -0.02 -1.26 -4.44 135.00 126.19 3hn3 n PRO 73 Ca 0.00 0.41 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 3hn3 n PRO 73 Cb 0.00 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 3hn3 n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hn3 s THR 74 N -1.33 0.89 0.18 3.45 -4.23 -1.26 -4.83 115.64 108.50 3hn3 s THR 74 Ca 0.64 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 3hn3 s THR 74 Cb -0.56 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3hn3 s THR 74 CO 0.56 -0.35 -0.08 0.68 -0.54 0.00 0.00 174.62 174.89 3hn3 s VAL 75 N -3.52 1.22 0.28 2.29 -7.23 -0.28 -4.92 120.40 108.25 3hn3 s VAL 75 Ca 0.28 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 3hn3 s VAL 75 Cb 0.06 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.90 3hn3 s VAL 75 CO 0.07 -0.62 1.10 -1.81 -0.31 0.00 0.00 175.10 173.53 3hn3 s ASP 76 N -3.23 7.28 -0.04 4.85 1.01 -1.26 -0.36 116.67 124.92 3hn3 s ASP 76 Ca 0.20 2.26 -0.01 0.00 0.71 0.00 0.00 52.55 55.72 3hn3 s ASP 76 Cb 0.03 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3hn3 s ASP 76 CO 0.03 -0.14 0.02 -0.32 0.21 0.00 0.00 175.17 174.98 3hn3 s MET 77 N -1.41 0.27 0.43 8.23 1.75 0.37 -4.87 119.30 124.07 3hn3 s MET 77 Ca 0.44 0.17 -0.24 0.00 -1.25 0.00 0.00 55.69 54.82 3hn3 s MET 77 Cb -0.32 -0.60 -0.08 0.00 2.84 0.00 0.00 34.83 36.67 3hn3 s MET 77 CO 0.41 -0.23 1.12 -1.25 -0.65 0.00 0.00 175.02 174.42 3hn3 s PRO 78 N 1.55 3.94 -0.05 4.11 0.04 -1.26 -1.42 135.00 141.92 3hn3 s PRO 78 Ca -0.02 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.71 3hn3 s PRO 78 Cb -0.13 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3hn3 s PRO 78 CO -0.03 -0.37 -0.05 0.08 0.04 0.00 0.00 177.00 176.67 3hn3 s VAL 79 N -1.58 0.59 0.33 -0.36 1.01 0.39 -3.82 120.40 116.96 3hn3 s VAL 79 Ca 0.61 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 3hn3 s VAL 79 Cb -0.26 -0.61 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 3hn3 s VAL 79 CO 0.32 0.24 0.97 -2.16 0.00 0.00 0.00 175.10 174.47 3hn3 s PRO 80 N 0.94 4.54 -0.27 2.72 0.04 -1.26 -0.15 135.00 141.57 3hn3 s PRO 80 Ca -0.11 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 61.99 3hn3 s PRO 80 Cb -0.14 -2.82 0.17 0.00 0.04 0.00 0.00 34.50 31.74 3hn3 s PRO 80 CO 0.00 0.23 1.34 0.45 0.04 0.00 0.00 177.00 179.06 3hn3 s SER 81 N -1.52 -0.05 0.41 6.66 0.15 -0.30 -4.57 113.70 114.48 3hn3 s SER 81 Ca 0.50 0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.96 3hn3 s SER 81 Cb -0.21 0.05 -0.11 0.00 -1.71 0.00 0.00 66.02 64.04 3hn3 s SER 81 CO 0.26 -0.07 0.94 -0.44 1.20 0.00 0.00 173.24 175.13 3hn3 s SER 82 N -1.69 6.99 0.07 5.45 0.01 0.03 -3.41 113.70 121.14 3hn3 s SER 82 Ca 0.10 1.69 0.27 0.00 1.31 0.00 0.00 55.95 59.32 3hn3 s SER 82 Cb -0.01 -2.54 0.82 0.00 0.21 0.00 0.00 66.02 64.51 3hn3 s SER 82 CO -0.04 -0.31 1.68 2.22 0.41 0.00 0.00 173.24 177.19 3hn3 n PHE 83 N -0.47 0.31 0.14 2.43 1.16 0.11 -4.51 117.46 116.63 3hn3 n PHE 83 Ca 0.06 0.09 -0.00 0.00 -1.87 0.00 0.00 57.45 55.73 3hn3 n PHE 83 Cb 0.53 -0.57 0.24 0.00 -1.61 0.00 0.00 39.48 38.07 3hn3 n PHE 83 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 3hn3 h ASN 84 N 0.00 0.06 -0.32 5.98 4.21 -1.89 -3.01 115.58 120.60 3hn3 h ASN 84 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3hn3 h ASN 84 Cb 0.60 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 3hn3 h ASN 84 CO 0.00 0.55 0.00 0.47 -1.29 0.00 0.00 177.43 177.16 3hn3 n ASP 85 N -3.95 2.85 0.09 5.81 8.00 -1.26 -3.88 116.55 124.21 3hn3 n ASP 85 Ca -0.02 -1.95 -0.13 0.00 0.71 0.00 0.00 54.79 53.41 3hn3 n ASP 85 Cb 0.52 -0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 41.29 3hn3 n ASP 85 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hn3 h ILE 86 N 2.08 1.55 -1.30 0.53 1.08 -1.70 -3.46 117.51 116.29 3hn3 h ILE 86 Ca 0.00 -3.10 -0.46 0.00 -0.39 0.00 0.00 64.86 60.90 3hn3 h ILE 86 Cb 0.71 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 3hn3 h ILE 86 CO 0.00 0.90 -0.27 -0.94 -0.69 0.00 0.00 178.15 177.15 3hn3 s SER 87 N -7.02 5.31 0.00 1.72 1.04 -1.26 -5.02 113.70 108.48 3hn3 s SER 87 Ca -0.03 -0.64 0.20 0.00 0.48 0.00 0.00 55.95 55.96 3hn3 s SER 87 Cb 0.08 -0.41 0.56 0.00 0.10 0.00 0.00 66.02 66.35 3hn3 s SER 87 CO 0.86 -0.84 1.46 0.00 0.98 0.00 0.00 173.24 175.70 3hn3 n GLN 88 N -1.81 2.76 -2.33 4.02 1.13 -1.26 -4.96 117.38 114.92 3hn3 n GLN 88 Ca 0.07 -2.50 -0.43 0.00 -1.94 0.00 0.00 57.00 52.20 3hn3 n GLN 88 Cb 0.61 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.44 3hn3 n GLN 88 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3hn3 s ASP 89 N -1.01 6.79 0.65 1.08 -1.08 -1.26 -4.90 116.67 116.94 3hn3 s ASP 89 Ca 0.42 1.67 0.42 0.00 -0.52 0.00 0.00 52.55 54.54 3hn3 s ASP 89 Cb 0.22 -2.54 2.23 0.00 -1.46 0.00 0.00 42.92 41.38 3hn3 s ASP 89 CO 0.29 -0.90 2.31 -0.50 0.52 0.00 0.00 175.17 176.88 3hn3 h TRP 90 N 8.89 0.00 0.00 -5.34 4.06 -2.01 -2.83 115.95 118.72 3hn3 h TRP 90 Ca -0.29 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.59 3hn3 h TRP 90 Cb 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 3hn3 h TRP 90 CO 0.84 0.00 -0.64 0.00 -3.56 0.00 0.00 178.44 175.09 3hn3 h ARG 91 N 0.00 0.00 0.16 0.49 3.08 -2.01 -3.40 114.38 112.70 3hn3 h ARG 91 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3hn3 h ARG 91 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hn3 h ARG 91 CO 0.00 0.22 -1.12 1.25 -1.07 0.00 0.00 179.97 179.25 3hn3 h LEU 92 N 0.00 0.53 -0.69 3.04 5.85 -1.86 -3.11 115.31 119.06 3hn3 h LEU 92 Ca -0.03 -0.92 0.10 0.00 0.84 0.00 0.00 57.88 57.87 3hn3 h LEU 92 Cb 1.24 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 3hn3 h LEU 92 CO 0.03 1.53 0.31 -0.09 -0.34 0.00 0.00 178.44 179.87 3hn3 h ARG 93 N -0.24 0.49 -0.64 1.25 2.43 -1.73 -1.44 114.38 114.51 3hn3 h ARG 93 Ca -0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3hn3 h ARG 93 Cb 1.79 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 3hn3 h ARG 93 CO 0.16 0.33 0.00 0.72 -1.51 0.00 0.00 179.97 179.66 3hn3 n HIS 94 N -4.93 1.52 -1.81 2.20 8.25 -1.26 -4.86 115.22 114.33 3hn3 n HIS 94 Ca 0.11 -0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 56.53 3hn3 n HIS 94 Cb 0.31 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3hn3 n HIS 94 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3hn3 s PHE 95 N -1.93 2.78 -0.14 4.41 5.36 -0.54 -5.02 117.98 122.89 3hn3 s PHE 95 Ca 0.51 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 3hn3 s PHE 95 Cb 0.34 -4.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.00 3hn3 s PHE 95 CO 0.24 -3.42 -0.17 0.08 -1.46 0.00 0.00 175.22 170.48 3hn3 s VAL 96 N -0.09 1.77 -5.00 3.12 1.01 -1.26 -4.98 120.40 114.97 3hn3 s VAL 96 Ca 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3hn3 s VAL 96 Cb -0.47 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3hn3 s VAL 96 CO 0.48 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3hn3 n GLY 97 N 4.44 0.12 3.71 4.51 0.00 -1.26 -5.02 105.19 111.68 3hn3 n GLY 97 Ca -0.19 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3hn3 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hn3 s TRP 98 N -3.93 3.37 0.02 1.61 0.52 -1.26 -2.33 118.94 116.94 3hn3 s TRP 98 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.41 3hn3 s TRP 98 Cb 0.00 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 3hn3 s TRP 98 CO 0.00 0.25 -0.00 0.14 0.02 0.00 0.00 176.95 177.36 3hn3 s VAL 99 N 0.37 4.10 -0.14 4.03 -7.23 -0.23 -1.49 120.40 119.81 3hn3 s VAL 99 Ca 0.07 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 3hn3 s VAL 99 Cb -0.11 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 3hn3 s VAL 99 CO -0.01 0.31 -0.15 0.26 -0.31 0.00 0.00 175.10 175.19 3hn3 s TRP 100 N -1.14 2.76 0.09 2.82 0.52 0.48 -0.93 118.94 123.55 3hn3 s TRP 100 Ca 0.21 -0.85 0.09 0.00 0.02 0.00 0.00 56.10 55.57 3hn3 s TRP 100 Cb -0.12 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 3hn3 s TRP 100 CO 0.12 -0.34 -0.19 0.71 0.02 0.00 0.00 176.95 177.28 3hn3 s TYR 101 N 0.53 2.53 -0.14 -1.98 2.02 0.21 -1.51 117.35 119.01 3hn3 s TYR 101 Ca -0.10 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.20 3hn3 s TYR 101 Cb -0.16 -1.37 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3hn3 s TYR 101 CO 0.04 0.34 0.39 -2.00 -1.57 0.00 0.00 175.55 172.75 3hn3 s GLU 102 N -1.92 0.45 -0.01 -0.62 2.12 -0.30 -0.95 118.70 117.47 3hn3 s GLU 102 Ca 0.17 0.53 0.02 0.00 0.36 0.00 0.00 54.97 56.05 3hn3 s GLU 102 Cb -0.10 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 3hn3 s GLU 102 CO 0.08 -0.05 -0.08 0.50 -0.54 0.00 0.00 175.26 175.17 3hn3 s ARG 103 N 0.20 0.62 -0.09 4.30 6.06 -0.59 -0.73 118.95 128.72 3hn3 s ARG 103 Ca -0.00 -0.27 -0.03 0.00 -2.50 0.00 0.00 55.73 52.93 3hn3 s ARG 103 Cb -0.03 -0.60 -0.03 0.00 0.06 0.00 0.00 34.95 34.35 3hn3 s ARG 103 CO 0.01 0.16 0.02 -1.21 -2.50 0.00 0.00 175.30 171.78 3hn3 s GLU 104 N -0.16 3.09 -0.02 5.12 2.02 -1.26 -0.80 118.70 126.69 3hn3 s GLU 104 Ca 0.03 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3hn3 s GLU 104 Cb -0.03 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3hn3 s GLU 104 CO -0.00 0.69 -0.10 0.08 0.02 0.00 0.00 175.26 175.94 3hn3 s VAL 105 N -0.83 0.88 -0.36 2.63 1.01 0.14 -4.98 120.40 118.89 3hn3 s VAL 105 Ca 0.13 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3hn3 s VAL 105 Cb -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3hn3 s VAL 105 CO 0.02 0.27 0.36 -0.63 0.00 0.00 0.00 175.10 175.12 3hn3 s ILE 106 N 0.08 5.18 0.36 2.22 1.01 -1.26 -0.65 121.20 128.13 3hn3 s ILE 106 Ca -0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 3hn3 s ILE 106 Cb -0.08 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 3hn3 s ILE 106 CO 0.00 -0.17 0.76 -0.76 0.00 0.00 0.00 174.94 174.77 3hn3 s LEU 107 N 1.97 3.97 0.34 2.97 1.43 -1.26 -5.03 118.68 123.07 3hn3 s LEU 107 Ca 0.10 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 3hn3 s LEU 107 Cb -0.17 -4.08 -0.12 0.00 0.03 0.00 0.00 46.19 41.86 3hn3 s LEU 107 CO 0.12 -0.28 1.40 -2.65 0.23 0.00 0.00 176.35 175.17 3hn3 n PRO 108 N -0.71 2.36 -0.24 1.29 -0.02 -1.26 -4.90 135.00 131.52 3hn3 n PRO 108 Ca 0.03 0.83 0.05 0.00 -2.02 0.00 0.00 63.50 62.39 3hn3 n PRO 108 Cb 0.53 -2.49 0.17 0.00 -0.02 0.00 0.00 33.50 31.70 3hn3 n PRO 108 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hn3 h GLU 109 N 3.10 0.30 -0.04 -0.52 4.81 -2.00 -1.79 114.58 118.44 3hn3 h GLU 109 Ca -0.48 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3hn3 h GLU 109 Cb 1.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3hn3 h GLU 109 CO 0.66 0.20 -0.02 0.07 -0.73 0.00 0.00 179.01 179.19 3hn3 h ARG 110 N 0.31 0.06 -0.40 1.92 0.11 -1.97 -0.07 114.38 114.35 3hn3 h ARG 110 Ca 0.40 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.44 3hn3 h ARG 110 Cb 0.66 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.71 3hn3 h ARG 110 CO -0.47 0.09 0.10 -1.49 0.10 0.00 0.00 179.97 178.30 3hn3 h TRP 111 N 0.06 0.66 0.00 4.08 4.06 -1.63 -1.51 115.95 121.67 3hn3 h TRP 111 Ca 0.01 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 3hn3 h TRP 111 Cb 0.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 3hn3 h TRP 111 CO 0.00 0.63 -0.70 1.79 -3.56 0.00 0.00 178.44 176.61 3hn3 h THR 112 N 0.50 0.42 0.00 1.49 1.35 -1.33 -3.38 112.91 111.96 3hn3 h THR 112 Ca 0.12 -1.66 -0.29 0.00 -0.55 0.00 0.00 66.41 64.04 3hn3 h THR 112 Cb 0.30 2.06 -0.05 0.00 -1.73 0.00 0.00 68.15 68.73 3hn3 h THR 112 CO 0.00 0.24 -2.07 0.00 -0.25 0.00 0.00 175.52 173.44 3hn3 n GLN 113 N -3.01 1.41 -3.11 4.72 1.13 -0.11 -4.31 117.38 114.09 3hn3 n GLN 113 Ca -0.01 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.62 3hn3 n GLN 113 Cb 0.68 -1.40 -0.06 0.00 0.11 0.00 0.00 30.24 29.56 3hn3 n GLN 113 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3hn3 s ASP 114 N -4.96 6.28 0.00 1.08 -1.08 -0.57 -4.93 116.67 112.49 3hn3 s ASP 114 Ca -0.09 -0.55 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 3hn3 s ASP 114 Cb 0.05 -2.32 0.65 0.00 -1.46 0.00 0.00 42.92 39.85 3hn3 s ASP 114 CO 0.63 -0.85 1.47 0.18 0.52 0.00 0.00 175.17 177.12 3hn3 n LEU 115 N 6.32 0.00 0.07 -1.34 4.77 -1.26 -1.55 117.00 124.01 3hn3 n LEU 115 Ca -0.03 0.47 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 3hn3 n LEU 115 Cb 0.47 -0.47 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 3hn3 n LEU 115 CO 0.54 -0.23 0.80 0.54 -1.33 0.00 0.00 177.39 177.72 3hn3 n ARG 116 N -1.47 0.11 -2.97 3.23 1.74 -1.26 -4.75 116.66 111.29 3hn3 n ARG 116 Ca 0.04 0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 57.06 3hn3 n ARG 116 Cb 0.17 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.85 3hn3 n ARG 116 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hn3 s THR 117 N -3.18 4.95 -0.25 0.55 2.01 -0.60 -3.22 115.64 115.91 3hn3 s THR 117 Ca 0.06 1.50 -0.14 0.00 0.31 0.00 0.00 61.69 63.42 3hn3 s THR 117 Cb 0.09 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3hn3 s THR 117 CO 0.34 0.10 0.33 -0.60 -0.69 0.00 0.00 174.62 174.10 3hn3 s ARG 118 N 1.77 4.06 -0.19 4.92 3.52 0.06 -4.89 118.95 128.20 3hn3 s ARG 118 Ca 0.36 0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 3hn3 s ARG 118 Cb -0.17 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3hn3 s ARG 118 CO 0.14 -0.15 0.02 0.08 -0.81 0.00 0.00 175.30 174.57 3hn3 s VAL 119 N 1.69 4.21 -0.08 7.11 1.01 -1.26 -1.70 120.40 131.37 3hn3 s VAL 119 Ca 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hn3 s VAL 119 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 3hn3 s VAL 119 CO 0.09 0.43 -0.24 -0.69 0.00 0.00 0.00 175.10 174.69 3hn3 s VAL 120 N 0.81 2.11 -0.27 2.92 1.01 0.42 -0.03 120.40 127.38 3hn3 s VAL 120 Ca 0.01 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 3hn3 s VAL 120 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3hn3 s VAL 120 CO 0.02 0.56 0.33 -0.22 0.00 0.00 0.00 175.10 175.79 3hn3 s LEU 121 N 0.14 4.04 -0.16 3.92 2.96 -0.18 -1.02 118.68 128.38 3hn3 s LEU 121 Ca -0.12 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3hn3 s LEU 121 Cb -0.16 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.18 3hn3 s LEU 121 CO 0.07 -0.15 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.19 3hn3 s ARG 122 N 1.97 3.18 -0.24 1.98 6.06 -0.57 -1.26 118.95 130.06 3hn3 s ARG 122 Ca 0.13 -0.77 -0.06 0.00 -2.50 0.00 0.00 55.73 52.53 3hn3 s ARG 122 Cb -0.16 -2.61 -0.02 0.00 0.06 0.00 0.00 34.95 32.22 3hn3 s ARG 122 CO 0.10 -0.01 0.04 0.42 -2.50 0.00 0.00 175.30 173.35 3hn3 s ILE 123 N 0.87 4.07 0.19 4.11 -1.09 0.38 -2.00 121.20 127.73 3hn3 s ILE 123 Ca -0.05 -0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.02 3hn3 s ILE 123 Cb -0.15 -2.89 0.12 0.00 -1.58 0.00 0.00 42.46 37.96 3hn3 s ILE 123 CO -0.01 0.37 1.76 1.23 -1.23 0.00 0.00 174.94 177.05 3hn3 h GLY 124 N 8.12 1.11 -2.30 6.18 0.00 -1.67 -1.30 103.07 113.21 3hn3 h GLY 124 Ca -0.39 -0.59 0.19 0.00 0.00 0.00 0.00 47.33 46.53 3hn3 h GLY 124 CO 0.59 0.56 0.51 -1.35 0.00 0.00 0.00 176.54 176.85 3hn3 s SER 125 N -6.20 -0.15 0.00 0.19 1.04 -1.26 -2.02 113.70 105.30 3hn3 s SER 125 Ca -0.13 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3hn3 s SER 125 Cb 0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3hn3 s SER 125 CO 0.81 -0.87 0.00 0.00 0.98 0.00 0.00 173.24 174.16 3hn3 n ALA 126 N -0.49 0.00 -2.90 5.32 0.00 -1.26 -4.53 120.51 116.65 3hn3 n ALA 126 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hn3 n ALA 126 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3hn3 n ALA 126 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hn3 n HIS 127 N 0.00 0.00 -0.24 0.00 -0.00 -1.26 -4.44 115.22 109.28 3hn3 n HIS 127 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 3hn3 n HIS 127 Cb 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.04 3hn3 n HIS 127 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 3hn3 h SER 128 N 0.00 0.20 -4.51 0.26 0.02 -1.70 -2.14 113.55 105.68 3hn3 h SER 128 Ca 0.00 0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 3hn3 h SER 128 Cb 0.00 0.11 -0.23 0.00 0.14 0.00 0.00 62.40 62.42 3hn3 h SER 128 CO 0.00 0.07 -0.58 -0.47 -1.14 0.00 0.00 176.83 174.71 3hn3 s TYR 129 N -6.04 0.03 -0.01 3.45 5.04 -0.94 -1.31 117.35 117.58 3hn3 s TYR 129 Ca -0.13 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 3hn3 s TYR 129 Cb 0.20 -0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.47 3hn3 s TYR 129 CO 0.76 -0.17 0.01 0.00 -1.34 0.00 0.00 175.55 174.80 3hn3 s ALA 130 N -0.85 0.05 -0.05 3.97 0.00 -0.37 -0.38 121.76 124.14 3hn3 s ALA 130 Ca -0.09 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3hn3 s ALA 130 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3hn3 s ALA 130 CO 0.00 -0.03 -0.21 0.42 0.00 0.00 0.00 175.76 175.95 3hn3 s ILE 131 N 0.33 1.73 -0.13 0.00 1.01 -0.16 -1.65 121.20 122.33 3hn3 s ILE 131 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3hn3 s ILE 131 Cb -0.04 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3hn3 s ILE 131 CO -0.01 0.49 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 3hn3 s VAL 132 N -0.07 1.98 -0.06 2.92 1.01 0.11 -0.98 120.40 125.31 3hn3 s VAL 132 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3hn3 s VAL 132 Cb -0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3hn3 s VAL 132 CO 0.03 0.53 0.00 0.26 0.00 0.00 0.00 175.10 175.93 3hn3 s TRP 133 N 0.79 3.14 -0.20 5.22 0.51 0.47 -0.98 118.94 127.89 3hn3 s TRP 133 Ca -0.08 0.16 0.02 0.00 -2.12 0.00 0.00 56.10 54.07 3hn3 s TRP 133 Cb -0.16 -1.75 0.03 0.00 -0.81 0.00 0.00 33.47 30.78 3hn3 s TRP 133 CO -0.01 0.47 -0.16 0.08 -0.51 0.00 0.00 176.95 176.81 3hn3 s VAL 134 N -0.95 2.04 -1.59 4.03 1.01 0.10 -1.07 120.40 123.97 3hn3 s VAL 134 Ca 0.15 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3hn3 s VAL 134 Cb -0.11 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.42 3hn3 s VAL 134 CO 0.05 0.34 0.76 0.59 0.00 0.00 0.00 175.10 176.84 3hn3 n ASN 135 N 4.58 -2.99 0.00 3.32 3.02 -0.00 -1.50 115.26 121.69 3hn3 n ASN 135 Ca -0.18 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3hn3 n ASN 135 Cb 0.47 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 3hn3 n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hn3 n GLY 136 N -1.60 0.92 3.60 7.41 0.00 -1.25 -5.02 105.19 109.25 3hn3 n GLY 136 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3hn3 n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hn3 s VAL 137 N -3.68 4.78 0.10 1.61 1.01 -0.56 -4.70 120.40 118.96 3hn3 s VAL 137 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3hn3 s VAL 137 Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 3hn3 s VAL 137 CO 0.00 0.42 1.47 1.51 0.00 0.00 0.00 175.10 178.50 3hn3 s ASP 138 N 0.71 6.75 0.00 3.32 1.47 -1.26 -0.72 116.67 126.93 3hn3 s ASP 138 Ca 0.04 2.37 0.00 0.00 1.18 0.00 0.00 52.55 56.14 3hn3 s ASP 138 Cb -0.13 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 3hn3 s ASP 138 CO 0.02 -0.73 0.00 0.35 0.68 0.00 0.00 175.17 175.49 3hn3 n THR 139 N 4.18 0.00 -3.64 2.11 -2.24 -0.15 -4.92 114.28 109.62 3hn3 n THR 139 Ca 0.13 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 3hn3 n THR 139 Cb 0.41 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 3hn3 n THR 139 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hn3 s LEU 140 N -0.77 -0.71 0.09 3.22 2.96 -1.14 -4.91 118.68 117.42 3hn3 s LEU 140 Ca 0.00 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 3hn3 s LEU 140 Cb 0.00 2.14 -0.04 0.00 0.50 0.00 0.00 46.19 48.79 3hn3 s LEU 140 CO 0.00 -0.20 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.13 3hn3 s GLU 141 N 1.12 0.82 -0.14 1.98 2.02 -1.26 0.09 118.70 123.33 3hn3 s GLU 141 Ca -0.06 -1.16 -0.22 0.00 0.02 0.00 0.00 54.97 53.56 3hn3 s GLU 141 Cb -0.05 -0.45 0.05 0.00 0.10 0.00 0.00 34.13 33.79 3hn3 s GLU 141 CO -0.13 0.06 0.56 -1.58 0.02 0.00 0.00 175.26 174.19 3hn3 s HIS 142 N -2.57 -0.56 -0.17 1.61 2.46 -0.66 -5.00 115.29 110.39 3hn3 s HIS 142 Ca 0.05 1.23 -0.02 0.00 0.47 0.00 0.00 55.06 56.79 3hn3 s HIS 142 Cb -0.02 0.24 -0.01 0.00 -0.13 0.00 0.00 32.58 32.66 3hn3 s HIS 142 CO -0.01 -0.39 -0.08 -2.00 -2.47 0.00 0.00 174.74 169.79 3hn3 s GLU 143 N -0.33 3.42 0.00 2.88 -6.30 -1.26 -1.23 118.70 115.87 3hn3 s GLU 143 Ca -0.05 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.78 3hn3 s GLU 143 Cb -0.03 -2.83 0.00 0.00 0.00 0.00 0.00 34.13 31.26 3hn3 s GLU 143 CO 0.04 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.76 3hn3 n GLY 144 N 4.08 2.50 3.98 -1.50 0.00 -0.43 -4.98 105.19 108.84 3hn3 n GLY 144 Ca -0.18 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 3hn3 n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hn3 s GLY 145 N 0.00 1.78 -0.03 -0.02 0.00 -1.11 -4.27 107.32 103.67 3hn3 s GLY 145 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3hn3 s GLY 145 CO 0.00 -1.03 0.00 -1.72 0.00 0.00 0.00 173.10 170.35 3hn3 n TYR 146 N -2.67 0.00 -3.89 1.90 4.01 -1.26 -4.93 117.16 110.31 3hn3 n TYR 146 Ca 0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.74 3hn3 n TYR 146 Cb 0.60 -0.83 -0.13 0.00 -0.31 0.00 0.00 39.34 38.67 3hn3 n TYR 146 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hn3 s LEU 147 N -0.06 2.04 0.59 7.72 1.43 -1.26 -4.62 118.68 124.52 3hn3 s LEU 147 Ca 0.00 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 3hn3 s LEU 147 Cb 0.00 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 3hn3 s LEU 147 CO 0.00 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 3hn3 s PRO 148 N -0.33 3.44 0.02 1.29 0.04 -0.86 -4.15 135.00 134.45 3hn3 s PRO 148 Ca -0.04 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 3hn3 s PRO 148 Cb -0.02 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3hn3 s PRO 148 CO -0.00 -0.70 0.26 -0.59 0.04 0.00 0.00 177.00 176.01 3hn3 s PHE 149 N -2.60 -0.08 0.16 0.56 -0.71 -0.49 -4.99 117.98 109.82 3hn3 s PHE 149 Ca 0.61 0.02 -0.09 0.00 -1.04 0.00 0.00 56.93 56.44 3hn3 s PHE 149 Cb -0.14 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 3hn3 s PHE 149 CO 0.38 -0.42 0.28 -1.83 -1.34 0.00 0.00 175.22 172.30 3hn3 s GLU 150 N -1.93 1.13 -0.08 1.99 -1.05 -1.26 -0.47 118.70 117.04 3hn3 s GLU 150 Ca -0.10 -1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 53.51 3hn3 s GLU 150 Cb -0.03 0.38 0.02 0.00 -0.44 0.00 0.00 34.13 34.05 3hn3 s GLU 150 CO 0.00 -0.41 0.21 0.00 0.95 0.00 0.00 175.26 176.01 3hn3 s ALA 151 N -3.95 -0.51 -0.24 -0.84 0.00 -0.39 -4.99 121.76 110.84 3hn3 s ALA 151 Ca 0.16 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 3hn3 s ALA 151 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hn3 s ALA 151 CO -0.01 -0.10 1.40 0.34 0.00 0.00 0.00 175.76 177.38 3hn3 s ASP 152 N 0.06 6.64 -0.11 0.00 -1.08 -1.26 -1.01 116.67 119.91 3hn3 s ASP 152 Ca -0.00 1.46 0.14 0.00 -0.52 0.00 0.00 52.55 53.63 3hn3 s ASP 152 Cb -0.02 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.37 3hn3 s ASP 152 CO 0.00 -1.06 1.38 2.30 0.52 0.00 0.00 175.17 178.31 3hn3 n ILE 153 N 6.07 1.78 -0.17 4.11 -5.35 0.96 -4.75 119.36 122.02 3hn3 n ILE 153 Ca 0.16 -1.49 -0.02 0.00 -0.27 0.00 0.00 62.75 61.13 3hn3 n ILE 153 Cb 0.46 0.05 0.06 0.00 -1.74 0.00 0.00 39.64 38.47 3hn3 n ILE 153 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3hn3 h SER 154 N 2.08 -0.40 -0.13 7.28 0.02 -1.90 0.21 113.55 120.71 3hn3 h SER 154 Ca 0.00 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3hn3 h SER 154 Cb 1.19 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3hn3 h SER 154 CO 0.15 -0.15 0.06 -0.55 -1.14 0.00 0.00 176.83 175.20 3hn3 h ASN 155 N 0.04 0.21 0.89 3.07 -1.07 -1.88 0.91 115.58 117.76 3hn3 h ASN 155 Ca 0.27 -0.01 -0.17 0.00 0.07 0.00 0.00 56.30 56.46 3hn3 h ASN 155 Cb 0.41 -0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 3hn3 h ASN 155 CO -0.52 0.21 -0.79 -0.07 0.07 0.00 0.00 177.43 176.33 3hn3 h LEU 156 N 0.24 0.00 0.00 6.14 4.07 -1.26 -3.31 115.31 121.20 3hn3 h LEU 156 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3hn3 h LEU 156 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3hn3 h LEU 156 CO -0.01 0.79 -1.73 1.33 -1.08 0.00 0.00 178.44 177.74 3hn3 n VAL 157 N -3.51 0.03 -3.15 1.22 0.24 -0.94 -4.65 118.33 107.57 3hn3 n VAL 157 Ca -0.00 -0.40 -0.44 0.00 -2.04 0.00 0.00 64.34 61.45 3hn3 n VAL 157 Cb 0.78 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 3hn3 n VAL 157 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hn3 n GLN 158 N -2.12 3.55 -0.12 7.34 6.02 0.28 -4.66 117.38 127.67 3hn3 n GLN 158 Ca -0.02 -4.23 0.00 0.00 -0.01 0.00 0.00 57.00 52.74 3hn3 n GLN 158 Cb 0.52 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 29.05 3hn3 n GLN 158 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3hn3 n VAL 159 N 3.25 0.00 0.00 5.09 3.14 -1.26 -4.85 118.33 123.71 3hn3 n VAL 159 Ca 0.29 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 3hn3 n VAL 159 Cb 0.40 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 3hn3 n VAL 159 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3hn3 n SER 164 N 1.02 0.00 -3.83 6.55 2.88 -1.26 -4.74 113.62 114.24 3hn3 n SER 164 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 3hn3 n SER 164 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3hn3 n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hn3 s ARG 165 N -1.06 0.54 -0.02 -1.46 3.03 -1.26 -4.63 118.95 114.08 3hn3 s ARG 165 Ca 0.00 0.03 -0.30 0.00 2.03 0.00 0.00 55.73 57.49 3hn3 s ARG 165 Cb 0.00 -0.70 -0.06 0.00 -1.03 0.00 0.00 34.95 33.16 3hn3 s ARG 165 CO 0.00 -0.15 1.51 -1.17 -1.13 0.00 0.00 175.30 174.35 3hn3 s LEU 166 N 1.20 4.31 -0.25 -1.89 2.96 0.18 -4.81 118.68 120.38 3hn3 s LEU 166 Ca -0.07 2.18 -0.08 0.00 -0.22 0.00 0.00 54.13 55.94 3hn3 s LEU 166 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3hn3 s LEU 166 CO -0.02 -0.81 0.08 -0.60 -1.32 0.00 0.00 176.35 173.68 3hn3 s ARG 167 N 3.02 3.72 -0.24 1.98 3.52 -1.26 0.27 118.95 129.95 3hn3 s ARG 167 Ca 0.68 -0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 55.78 3hn3 s ARG 167 Cb -0.33 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3hn3 s ARG 167 CO 0.27 -0.15 0.00 0.42 -0.81 0.00 0.00 175.30 175.03 3hn3 s ILE 168 N 1.53 3.64 -0.10 4.11 1.01 0.02 -0.82 121.20 130.59 3hn3 s ILE 168 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3hn3 s ILE 168 Cb -0.15 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 3hn3 s ILE 168 CO 0.04 0.33 -0.17 -0.89 0.00 0.00 0.00 174.94 174.25 3hn3 s THR 169 N 1.50 2.75 -0.10 2.92 2.01 -0.23 -1.54 115.64 122.95 3hn3 s THR 169 Ca 0.05 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 3hn3 s THR 169 Cb -0.15 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3hn3 s THR 169 CO -0.01 0.55 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.79 3hn3 s ILE 170 N 0.12 0.80 -0.18 1.82 1.01 -0.12 -0.39 121.20 124.25 3hn3 s ILE 170 Ca -0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 3hn3 s ILE 170 Cb -0.15 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3hn3 s ILE 170 CO 0.05 0.33 0.07 0.00 0.00 0.00 0.00 174.94 175.39 3hn3 s ALA 171 N 1.74 3.42 -0.09 9.38 0.00 -0.15 -0.61 121.76 135.44 3hn3 s ALA 171 Ca 0.04 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3hn3 s ALA 171 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3hn3 s ALA 171 CO -0.07 0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.10 3hn3 s ILE 172 N 0.39 1.63 -0.16 0.00 1.01 -0.10 -0.99 121.20 122.98 3hn3 s ILE 172 Ca 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3hn3 s ILE 172 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3hn3 s ILE 172 CO 0.00 0.46 0.02 0.21 0.00 0.00 0.00 174.94 175.64 3hn3 s ASN 173 N 0.65 5.29 -0.08 3.58 3.84 0.49 -1.07 114.94 127.65 3hn3 s ASN 173 Ca -0.13 0.02 0.14 0.00 0.21 0.00 0.00 52.86 53.10 3hn3 s ASN 173 Cb -0.16 -1.84 0.45 0.00 -0.55 0.00 0.00 41.25 39.15 3hn3 s ASN 173 CO 0.04 0.21 1.37 -0.46 -2.79 0.00 0.00 177.10 175.47 3hn3 n ASN 174 N 3.31 3.56 -4.69 -4.21 6.94 -0.98 -2.15 115.26 117.03 3hn3 n ASN 174 Ca -0.17 -2.45 -0.42 0.00 -0.02 0.00 0.00 54.58 51.52 3hn3 n ASN 174 Cb 0.53 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 3hn3 n ASN 174 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3hn3 s THR 175 N -1.81 4.57 0.08 5.53 2.01 -1.26 -4.84 115.64 119.93 3hn3 s THR 175 Ca 0.34 1.86 -0.04 0.00 0.31 0.00 0.00 61.69 64.16 3hn3 s THR 175 Cb 0.23 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3hn3 s THR 175 CO 0.14 0.04 0.29 -0.76 -0.69 0.00 0.00 174.62 173.65 3hn3 s LEU 176 N 1.81 4.32 0.22 4.42 1.43 -1.26 -4.77 118.68 124.85 3hn3 s LEU 176 Ca 0.52 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 3hn3 s LEU 176 Cb -0.22 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 3hn3 s LEU 176 CO 0.22 0.14 0.13 0.42 0.23 0.00 0.00 176.35 177.48 3hn3 s THR 177 N -1.52 0.17 -0.92 5.49 -4.23 -1.20 -4.05 115.64 109.37 3hn3 s THR 177 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3hn3 s THR 177 Cb -0.13 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3hn3 s THR 177 CO 0.24 0.00 0.93 -2.65 -0.54 0.00 0.00 174.62 172.60 3hn3 n PRO 178 N -0.35 0.00 -0.05 3.99 -0.02 -0.77 -1.49 135.00 136.31 3hn3 n PRO 178 Ca 0.02 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3hn3 n PRO 178 Cb 0.66 -1.55 0.04 0.00 -0.02 0.00 0.00 33.50 32.63 3hn3 n PRO 178 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hn3 n THR 179 N -1.43 1.12 -3.25 3.45 -2.24 -1.26 -4.64 114.28 106.03 3hn3 n THR 179 Ca 0.00 -1.24 -0.21 0.00 -2.27 0.00 0.00 64.05 60.33 3hn3 n THR 179 Cb 0.05 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3hn3 n THR 179 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hn3 s THR 180 N -1.42 4.19 -0.19 4.28 -4.23 -0.95 -4.87 115.64 112.45 3hn3 s THR 180 Ca 0.10 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3hn3 s THR 180 Cb 0.08 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.46 3hn3 s THR 180 CO 0.01 -0.29 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.98 3hn3 s LEU 181 N -4.36 2.02 0.65 4.79 1.43 -1.26 -1.49 118.68 120.46 3hn3 s LEU 181 Ca 0.46 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3hn3 s LEU 181 Cb -0.10 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.06 3hn3 s LEU 181 CO 0.35 -0.19 1.13 -2.16 0.23 0.00 0.00 176.35 175.71 3hn3 s PRO 182 N 1.51 2.78 0.78 1.29 0.04 -1.14 -4.58 135.00 135.68 3hn3 s PRO 182 Ca -0.01 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3hn3 s PRO 182 Cb -0.16 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.50 3hn3 s PRO 182 CO -0.08 -1.29 1.15 -1.25 0.04 0.00 0.00 177.00 175.58 3hn3 s PRO 183 N -3.90 2.14 0.22 0.56 0.04 -0.55 -4.58 135.00 128.92 3hn3 s PRO 183 Ca 0.70 0.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 3hn3 s PRO 183 Cb -0.23 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.40 3hn3 s PRO 183 CO 0.39 -1.47 0.97 0.20 0.04 0.00 0.00 177.00 177.13 3hn3 s GLY 184 N -4.53 0.07 0.12 0.56 0.00 -0.56 -4.65 107.32 98.32 3hn3 s GLY 184 Ca 0.61 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.06 3hn3 s GLY 184 CO 0.49 1.28 -0.08 -0.51 0.00 0.00 0.00 173.10 174.29 3hn3 s THR 185 N -2.51 0.86 -0.12 0.90 -4.23 -0.74 -1.85 115.64 107.95 3hn3 s THR 185 Ca 0.18 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3hn3 s THR 185 Cb -0.03 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 3hn3 s THR 185 CO 0.06 -0.82 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.56 3hn3 s ILE 186 N -3.52 3.13 -0.25 2.99 -1.09 -1.26 -0.63 121.20 120.57 3hn3 s ILE 186 Ca 0.14 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 3hn3 s ILE 186 Cb 0.04 -2.30 0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3hn3 s ILE 186 CO -0.03 0.53 -0.08 -1.10 -1.23 0.00 0.00 174.94 173.03 3hn3 s GLN 187 N 0.17 2.61 -0.17 2.79 -1.52 0.05 -4.97 119.66 118.63 3hn3 s GLN 187 Ca -0.07 -1.12 -0.25 0.00 -1.95 0.00 0.00 55.36 51.97 3hn3 s GLN 187 Cb -0.15 -2.93 -0.02 0.00 -0.22 0.00 0.00 33.01 29.69 3hn3 s GLN 187 CO 0.05 -0.46 0.83 0.71 -0.25 0.00 0.00 175.29 176.16 3hn3 s TYR 188 N 1.24 3.42 -0.40 0.91 1.51 -1.26 -1.54 117.35 121.23 3hn3 s TYR 188 Ca -0.03 1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 57.21 3hn3 s TYR 188 Cb -0.18 -3.01 0.08 0.00 -0.11 0.00 0.00 41.96 38.74 3hn3 s TYR 188 CO -0.05 -0.23 0.21 -0.51 -1.11 0.00 0.00 175.55 173.86 3hn3 s LEU 189 N 2.12 4.98 0.00 -1.29 1.43 -0.63 -4.98 118.68 120.31 3hn3 s LEU 189 Ca 0.38 -1.52 0.24 0.00 -1.03 0.00 0.00 54.13 52.20 3hn3 s LEU 189 Cb -0.17 -1.93 0.42 0.00 0.03 0.00 0.00 46.19 44.55 3hn3 s LEU 189 CO 0.12 -0.49 1.39 0.35 0.23 0.00 0.00 176.35 177.96 3hn3 n THR 190 N 4.84 0.24 -2.14 5.49 -2.24 -1.26 -4.47 114.28 114.73 3hn3 n THR 190 Ca -0.09 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.77 3hn3 n THR 190 Cb 0.43 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3hn3 n THR 190 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hn3 s ASP 191 N -1.73 5.43 0.00 3.42 -1.08 -1.26 -4.85 116.67 116.60 3hn3 s ASP 191 Ca 0.34 -0.23 0.21 0.00 -0.52 0.00 0.00 52.55 52.35 3hn3 s ASP 191 Cb 0.21 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 40.34 3hn3 s ASP 191 CO 0.31 -2.37 1.66 0.35 0.52 0.00 0.00 175.17 175.64 3hn3 n THR 192 N 7.31 0.10 0.54 1.71 -2.24 -1.25 -1.10 114.28 119.34 3hn3 n THR 192 Ca 0.26 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 3hn3 n THR 192 Cb 0.50 -0.69 0.33 0.00 -2.10 0.00 0.00 70.33 68.38 3hn3 n THR 192 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hn3 h SER 193 N 0.00 0.00 0.00 3.42 4.64 -1.99 -3.37 113.55 116.24 3hn3 h SER 193 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3hn3 h SER 193 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hn3 h SER 193 CO 0.00 0.01 -1.04 0.29 -0.87 0.00 0.00 176.83 175.22 3hn3 n LYS 194 N -2.41 1.80 -4.11 4.77 5.02 -0.54 -5.07 118.16 117.62 3hn3 n LYS 194 Ca 0.05 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 3hn3 n LYS 194 Cb 0.45 -1.02 -0.14 0.00 -0.02 0.00 0.00 35.03 34.30 3hn3 n LYS 194 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hn3 s TYR 195 N -2.03 0.41 0.73 2.13 1.51 -0.26 -5.10 117.35 114.74 3hn3 s TYR 195 Ca -0.00 -0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 3hn3 s TYR 195 Cb 0.00 -0.26 0.04 0.00 -0.11 0.00 0.00 41.96 41.63 3hn3 s TYR 195 CO 0.03 -0.01 1.16 -1.25 -1.11 0.00 0.00 175.55 174.37 3hn3 s PRO 196 N -0.22 2.24 0.02 -1.71 0.04 -1.26 -3.97 135.00 130.14 3hn3 s PRO 196 Ca 0.01 1.59 -0.37 0.00 0.04 0.00 0.00 61.00 62.27 3hn3 s PRO 196 Cb -0.02 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 3hn3 s PRO 196 CO -0.00 -1.72 1.51 1.17 0.04 0.00 0.00 177.00 178.00 3hn3 n LYS 197 N -2.81 1.45 -0.32 4.56 4.81 -1.26 -1.73 118.16 122.86 3hn3 n LYS 197 Ca 0.12 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3hn3 n LYS 197 Cb 0.51 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3hn3 n LYS 197 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hn3 n GLY 198 N 3.17 0.84 3.69 3.14 0.00 -1.26 -5.03 105.19 109.75 3hn3 n GLY 198 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3hn3 n GLY 198 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hn3 n TYR 199 N -2.00 2.50 -3.91 1.61 4.19 -0.71 -4.94 117.16 113.91 3hn3 n TYR 199 Ca 0.00 0.16 -0.09 0.00 3.31 0.00 0.00 57.90 61.28 3hn3 n TYR 199 Cb 0.00 -2.61 -0.08 0.00 0.49 0.00 0.00 39.34 37.15 3hn3 n TYR 199 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 3hn3 s PHE 200 N 1.03 0.25 0.06 2.98 -0.71 -1.26 -1.60 117.98 118.73 3hn3 s PHE 200 Ca 0.77 -0.69 0.02 0.00 -1.04 0.00 0.00 56.93 55.99 3hn3 s PHE 200 Cb -0.60 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 3hn3 s PHE 200 CO 0.35 -0.53 -0.07 0.14 -1.34 0.00 0.00 175.22 173.77 3hn3 s VAL 201 N -3.88 0.56 -0.24 -2.49 -7.23 -0.59 -4.96 120.40 101.56 3hn3 s VAL 201 Ca 0.07 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.71 3hn3 s VAL 201 Cb 0.05 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 3hn3 s VAL 201 CO -0.10 -0.54 0.60 -1.58 -0.31 0.00 0.00 175.10 173.18 3hn3 s GLN 202 N -2.27 4.13 -0.02 4.82 2.00 -1.26 -0.77 119.66 126.29 3hn3 s GLN 202 Ca -0.04 0.52 -0.15 0.00 -2.00 0.00 0.00 55.36 53.69 3hn3 s GLN 202 Cb -0.05 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 30.07 3hn3 s GLN 202 CO -0.01 -0.36 0.40 -0.80 -0.50 0.00 0.00 175.29 174.02 3hn3 s ASN 203 N 1.42 6.77 0.10 6.67 0.01 0.20 -4.98 114.94 125.13 3hn3 s ASN 203 Ca 0.26 0.92 -0.03 0.00 -0.71 0.00 0.00 52.86 53.30 3hn3 s ASN 203 Cb -0.16 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3hn3 s ASN 203 CO 0.09 0.30 0.06 0.42 -1.51 0.00 0.00 177.10 176.46 3hn3 s THR 204 N -0.91 0.14 -0.08 1.60 -4.23 -1.26 -1.79 115.64 109.12 3hn3 s THR 204 Ca 0.23 -1.75 0.18 0.00 -1.18 0.00 0.00 61.69 59.17 3hn3 s THR 204 Cb -0.16 -1.77 0.37 0.00 1.34 0.00 0.00 72.50 72.28 3hn3 s THR 204 CO 0.12 -0.65 1.17 -1.22 -0.54 0.00 0.00 174.62 173.50 3hn3 n TYR 205 N -0.03 0.00 -4.36 3.99 4.01 -1.26 -5.04 117.16 114.47 3hn3 n TYR 205 Ca -0.10 -0.80 -0.27 0.00 -0.16 0.00 0.00 57.90 56.57 3hn3 n TYR 205 Cb 0.63 -0.17 -0.13 0.00 -0.31 0.00 0.00 39.34 39.36 3hn3 n TYR 205 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 3hn3 s PHE 206 N -1.24 2.07 -1.06 -0.72 -0.12 -1.26 -4.23 117.98 111.41 3hn3 s PHE 206 Ca 0.32 -0.40 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 3hn3 s PHE 206 Cb 0.34 -1.13 0.25 0.00 -0.63 0.00 0.00 43.02 41.85 3hn3 s PHE 206 CO -0.11 0.27 2.07 -3.47 -0.05 0.00 0.00 175.22 173.93 3hn3 n ASP 207 N 1.02 7.54 -3.53 1.98 2.03 -1.26 -4.89 116.55 119.44 3hn3 n ASP 207 Ca -0.19 -3.52 -0.18 0.00 0.52 0.00 0.00 54.79 51.43 3hn3 n ASP 207 Cb 0.53 -1.22 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 3hn3 n ASP 207 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3hn3 s PHE 208 N -3.23 -0.67 0.24 -0.67 -0.12 -1.26 -4.87 117.98 107.41 3hn3 s PHE 208 Ca 0.46 1.19 -0.30 0.00 -0.05 0.00 0.00 56.93 58.24 3hn3 s PHE 208 Cb 0.23 0.40 -0.09 0.00 -0.63 0.00 0.00 43.02 42.92 3hn3 s PHE 208 CO -0.16 -0.59 1.21 0.12 -0.05 0.00 0.00 175.22 175.76 3hn3 s PHE 209 N -1.05 3.36 -1.46 3.49 5.36 -0.69 -4.60 117.98 122.39 3hn3 s PHE 209 Ca -0.10 1.46 -0.08 0.00 -0.96 0.00 0.00 56.93 57.25 3hn3 s PHE 209 Cb -0.00 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.17 3hn3 s PHE 209 CO 0.09 -1.27 2.81 -1.71 -1.46 0.00 0.00 175.22 173.68 3hn3 n ASN 210 N 1.81 8.40 -4.47 6.13 5.15 -1.26 -4.95 115.26 126.06 3hn3 n ASN 210 Ca 0.02 -2.75 -0.37 0.00 -0.60 0.00 0.00 54.58 50.87 3hn3 n ASN 210 Cb 0.44 -1.49 0.05 0.00 -0.53 0.00 0.00 39.78 38.25 3hn3 n ASN 210 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3hn3 n TYR 211 N 2.93 -0.66 -4.02 1.20 4.01 -1.26 -5.04 117.16 114.31 3hn3 n TYR 211 Ca 0.72 0.41 -0.09 0.00 -0.16 0.00 0.00 57.90 58.78 3hn3 n TYR 211 Cb 0.27 -1.95 -0.09 0.00 -0.31 0.00 0.00 39.34 37.26 3hn3 n TYR 211 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hn3 s ALA 212 N -1.76 0.31 0.00 -0.72 0.00 -1.26 -5.04 121.76 113.29 3hn3 s ALA 212 Ca 0.68 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3hn3 s ALA 212 Cb -0.41 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3hn3 s ALA 212 CO 0.55 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3hn3 n GLY 213 N -0.07 0.61 3.44 0.00 0.00 -1.26 -0.71 105.19 107.19 3hn3 n GLY 213 Ca -0.10 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 3hn3 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hn3 s LEU 214 N 0.00 5.31 0.00 0.99 1.43 -1.22 -4.59 118.68 120.61 3hn3 s LEU 214 Ca 0.00 -2.73 0.27 0.00 -1.03 0.00 0.00 54.13 50.64 3hn3 s LEU 214 Cb 0.00 -2.37 0.95 0.00 0.03 0.00 0.00 46.19 44.80 3hn3 s LEU 214 CO 0.00 -0.79 1.70 0.00 0.23 0.00 0.00 176.35 177.49 3hn3 n GLN 215 N 5.50 0.42 -4.28 1.70 6.02 -1.23 -1.15 117.38 124.36 3hn3 n GLN 215 Ca 0.30 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.00 56.95 3hn3 n GLN 215 Cb 0.45 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 3hn3 n GLN 215 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hn3 s ARG 216 N -2.71 1.16 0.31 -1.09 0.52 -1.26 -1.13 118.95 114.74 3hn3 s ARG 216 Ca 0.21 -1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 3hn3 s ARG 216 Cb 0.19 -0.58 -0.12 0.00 0.52 0.00 0.00 34.95 34.96 3hn3 s ARG 216 CO 0.55 -0.00 1.52 0.43 0.02 0.00 0.00 175.30 177.82 3hn3 n SER 217 N -0.27 3.62 -4.70 0.23 7.64 -1.26 -4.46 113.62 114.41 3hn3 n SER 217 Ca -0.08 1.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.62 3hn3 n SER 217 Cb 0.62 -1.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.16 3hn3 n SER 217 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hn3 s VAL 218 N -0.36 4.43 0.08 0.44 1.01 -1.26 -2.25 120.40 122.48 3hn3 s VAL 218 Ca 0.61 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 3hn3 s VAL 218 Cb -0.52 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3hn3 s VAL 218 CO 0.53 0.60 0.34 -1.48 0.00 0.00 0.00 175.10 175.10 3hn3 s LEU 219 N -0.86 0.71 0.01 3.92 2.34 -0.85 -0.84 118.68 123.11 3hn3 s LEU 219 Ca 0.13 -0.26 -0.00 0.00 0.06 0.00 0.00 54.13 54.06 3hn3 s LEU 219 Cb -0.11 1.54 -0.04 0.00 -0.56 0.00 0.00 46.19 47.02 3hn3 s LEU 219 CO 0.02 -0.72 0.10 -0.76 -1.06 0.00 0.00 176.35 173.94 3hn3 s LEU 220 N -2.40 3.98 0.12 1.48 1.43 -0.22 -1.51 118.68 121.56 3hn3 s LEU 220 Ca -0.01 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3hn3 s LEU 220 Cb 0.01 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3hn3 s LEU 220 CO -0.07 0.25 0.17 -0.72 0.23 0.00 0.00 176.35 176.21 3hn3 s TYR 221 N -1.25 0.41 0.11 0.29 -0.85 -0.18 -0.58 117.35 115.29 3hn3 s TYR 221 Ca 0.25 -0.83 0.10 0.00 -0.52 0.00 0.00 57.07 56.07 3hn3 s TYR 221 Cb -0.12 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.00 3hn3 s TYR 221 CO 0.16 -0.58 -0.26 0.95 -1.52 0.00 0.00 175.55 174.31 3hn3 s THR 222 N -3.94 2.12 0.19 -3.49 -4.23 -0.35 -0.43 115.64 105.51 3hn3 s THR 222 Ca 0.13 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3hn3 s THR 222 Cb 0.05 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3hn3 s THR 222 CO -0.05 0.11 0.11 0.42 -0.54 0.00 0.00 174.62 174.67 3hn3 s THR 223 N -1.03 0.10 1.04 3.99 -4.23 -0.69 -3.41 115.64 111.41 3hn3 s THR 223 Ca 0.12 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 3hn3 s THR 223 Cb -0.10 -2.42 0.21 0.00 1.34 0.00 0.00 72.50 71.53 3hn3 s THR 223 CO 0.05 -0.10 1.07 -2.84 -0.54 0.00 0.00 174.62 172.26 3hn3 s PRO 224 N -4.12 0.12 0.46 3.99 0.02 -1.26 -0.76 135.00 133.45 3hn3 s PRO 224 Ca 0.36 0.74 0.26 0.00 0.02 0.00 0.00 61.00 62.37 3hn3 s PRO 224 Cb 0.07 -1.68 1.00 0.00 0.02 0.00 0.00 34.50 33.91 3hn3 s PRO 224 CO 0.10 -3.00 1.86 1.79 -0.33 0.00 0.00 177.00 177.42 3hn3 h THR 225 N -2.10 0.45 -3.32 0.99 1.35 -1.89 -3.39 112.91 105.01 3hn3 h THR 225 Ca -0.56 -1.00 -0.64 0.00 -0.55 0.00 0.00 66.41 63.67 3hn3 h THR 225 Cb 1.32 1.71 -0.21 0.00 -1.73 0.00 0.00 68.15 69.24 3hn3 h THR 225 CO 0.54 0.18 -0.67 -0.89 -0.25 0.00 0.00 175.52 174.43 3hn3 s THR 226 N -3.66 3.91 0.15 6.82 2.01 -1.26 -4.38 115.64 119.23 3hn3 s THR 226 Ca 0.01 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 3hn3 s THR 226 Cb 0.10 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.94 3hn3 s THR 226 CO 0.62 0.50 0.44 -0.72 -0.69 0.00 0.00 174.62 174.77 3hn3 s TYR 227 N 0.25 -0.16 -0.37 4.92 1.13 -0.34 -4.83 117.35 117.94 3hn3 s TYR 227 Ca -0.03 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.18 3hn3 s TYR 227 Cb -0.14 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 3hn3 s TYR 227 CO 0.03 -0.78 1.46 0.42 -2.51 0.00 0.00 175.55 174.18 3hn3 s ILE 228 N -3.83 3.86 -0.17 -3.49 1.01 -1.26 -1.54 121.20 115.78 3hn3 s ILE 228 Ca 0.06 0.90 0.09 0.00 0.00 0.00 0.00 60.65 61.69 3hn3 s ILE 228 Cb 0.01 -4.09 -0.23 0.00 0.01 0.00 0.00 42.46 38.16 3hn3 s ILE 228 CO -0.09 -0.65 0.18 -0.67 0.00 0.00 0.00 174.94 173.72 3hn3 n ASP 229 N 8.84 1.02 -3.70 3.58 2.03 0.51 -4.96 116.55 123.87 3hn3 n ASP 229 Ca 0.17 0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.44 3hn3 n ASP 229 Cb 0.47 0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 3hn3 n ASP 229 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3hn3 s ASP 230 N -6.13 -0.39 -0.01 1.67 -1.08 -1.04 -3.63 116.67 106.05 3hn3 s ASP 230 Ca -0.17 0.52 0.02 0.00 -0.52 0.00 0.00 52.55 52.40 3hn3 s ASP 230 Cb 0.07 0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 42.12 3hn3 s ASP 230 CO 0.76 -0.38 -0.06 -0.63 0.52 0.00 0.00 175.17 175.39 3hn3 s ILE 231 N -0.72 0.46 -0.10 4.11 1.01 -1.26 -0.98 121.20 123.73 3hn3 s ILE 231 Ca -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3hn3 s ILE 231 Cb -0.03 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.05 3hn3 s ILE 231 CO 0.04 0.14 -0.11 -0.89 0.00 0.00 0.00 174.94 174.12 3hn3 s THR 232 N -0.03 1.18 -0.05 2.92 2.01 0.15 -4.94 115.64 116.87 3hn3 s THR 232 Ca 0.01 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.63 3hn3 s THR 232 Cb -0.03 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3hn3 s THR 232 CO -0.00 0.38 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.38 3hn3 s VAL 233 N 1.16 1.93 0.07 3.82 1.01 -1.26 -1.09 120.40 126.05 3hn3 s VAL 233 Ca -0.05 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.98 3hn3 s VAL 233 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3hn3 s VAL 233 CO -0.03 0.54 -0.14 0.42 0.00 0.00 0.00 175.10 175.90 3hn3 s THR 234 N -0.20 1.10 0.03 3.92 -4.23 -0.80 -4.80 115.64 110.65 3hn3 s THR 234 Ca -0.01 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 3hn3 s THR 234 Cb -0.13 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 3hn3 s THR 234 CO 0.03 -0.25 -0.11 0.42 -0.54 0.00 0.00 174.62 174.16 3hn3 s THR 235 N -1.37 0.89 0.33 3.99 -4.23 -1.26 -0.49 115.64 113.49 3hn3 s THR 235 Ca -0.01 -0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3hn3 s THR 235 Cb -0.09 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.94 3hn3 s THR 235 CO 0.02 -0.01 0.47 -0.94 -0.54 0.00 0.00 174.62 173.62 3hn3 s SER 236 N -0.95 0.80 0.04 3.99 1.04 -0.57 -4.59 113.70 113.45 3hn3 s SER 236 Ca 0.00 -1.43 0.06 0.00 0.48 0.00 0.00 55.95 55.06 3hn3 s SER 236 Cb -0.07 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 3hn3 s SER 236 CO 0.01 -1.27 -0.18 -0.69 0.98 0.00 0.00 173.24 172.09 3hn3 s VAL 237 N -3.17 1.40 -0.03 5.02 1.01 -1.26 -0.75 120.40 122.63 3hn3 s VAL 237 Ca 0.30 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3hn3 s VAL 237 Cb -0.00 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3hn3 s VAL 237 CO 0.19 0.14 0.04 -1.83 0.00 0.00 0.00 175.10 173.65 3hn3 s GLU 238 N -1.07 -0.04 3.87 2.72 -1.05 -0.81 -4.96 118.70 117.37 3hn3 s GLU 238 Ca 0.05 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.10 3hn3 s GLU 238 Cb -0.08 -0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.33 3hn3 s GLU 238 CO 0.01 -0.19 0.00 1.04 0.95 0.00 0.00 175.26 177.07 3hn3 n GLN 239 N 4.35 0.00 -0.93 -4.83 3.00 -1.26 -0.52 117.38 117.19 3hn3 n GLN 239 Ca -0.24 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.66 3hn3 n GLN 239 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 30.24 30.97 3hn3 n GLN 239 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3hn3 n ASP 240 N 3.73 3.62 -4.67 1.08 5.75 -1.26 -4.96 116.55 119.84 3hn3 n ASP 240 Ca 0.00 -3.49 -0.27 0.00 -0.01 0.00 0.00 54.79 51.02 3hn3 n ASP 240 Cb 0.00 -0.71 -0.08 0.00 -1.03 0.00 0.00 41.12 39.30 3hn3 n ASP 240 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3hn3 s SER 241 N -1.74 4.80 -0.02 -1.12 0.01 0.32 -1.58 113.70 114.37 3hn3 s SER 241 Ca 0.50 -0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.38 3hn3 s SER 241 Cb 0.43 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 3hn3 s SER 241 CO 0.08 0.09 0.04 -0.83 0.41 0.00 0.00 173.24 173.02 3hn3 s GLY 242 N -2.91 1.93 -0.16 3.44 0.00 -0.10 -1.93 107.32 107.60 3hn3 s GLY 242 Ca 0.27 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 3hn3 s GLY 242 CO 0.19 -0.73 -0.14 1.08 0.00 0.00 0.00 173.10 173.49 3hn3 s LEU 243 N -1.48 2.51 -0.29 0.66 1.43 0.07 -0.24 118.68 121.35 3hn3 s LEU 243 Ca 0.19 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3hn3 s LEU 243 Cb -0.12 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3hn3 s LEU 243 CO 0.10 0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 3hn3 s VAL 244 N 0.87 2.52 -0.12 -1.59 1.01 0.40 -1.52 120.40 121.97 3hn3 s VAL 244 Ca -0.04 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.04 3hn3 s VAL 244 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3hn3 s VAL 244 CO -0.01 -0.18 0.63 0.20 0.00 0.00 0.00 175.10 175.75 3hn3 s ASN 245 N 1.17 6.82 0.08 3.32 -0.87 0.36 -0.13 114.94 125.69 3hn3 s ASN 245 Ca -0.04 0.99 0.09 0.00 -1.57 0.00 0.00 52.86 52.33 3hn3 s ASN 245 Cb -0.20 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 3hn3 s ASN 245 CO -0.04 -0.15 -0.24 -0.72 -2.57 0.00 0.00 177.10 173.38 3hn3 s TYR 246 N 1.17 2.09 -0.02 2.20 -0.85 -0.22 -1.90 117.35 119.81 3hn3 s TYR 246 Ca 0.32 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.48 3hn3 s TYR 246 Cb -0.16 -1.19 0.02 0.00 0.38 0.00 0.00 41.96 41.00 3hn3 s TYR 246 CO 0.14 0.20 -0.01 -0.65 -1.52 0.00 0.00 175.55 173.70 3hn3 s GLN 247 N -1.60 0.33 -0.03 -3.49 -0.21 -0.25 -2.23 119.66 112.18 3hn3 s GLN 247 Ca 0.10 0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.52 3hn3 s GLN 247 Cb -0.10 -0.45 0.01 0.00 1.00 0.00 0.00 33.01 33.47 3hn3 s GLN 247 CO 0.04 -0.08 -0.07 0.42 -2.12 0.00 0.00 175.29 173.47 3hn3 s ILE 248 N 0.76 0.69 -0.08 1.08 1.01 0.62 -0.67 121.20 124.60 3hn3 s ILE 248 Ca -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3hn3 s ILE 248 Cb -0.11 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 3hn3 s ILE 248 CO -0.01 0.24 -0.12 -0.44 0.00 0.00 0.00 174.94 174.60 3hn3 s SER 249 N 0.47 4.16 -0.07 3.58 0.01 -0.15 -4.75 113.70 116.95 3hn3 s SER 249 Ca -0.07 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.03 3hn3 s SER 249 Cb -0.11 -1.19 -0.00 0.00 0.21 0.00 0.00 66.02 64.93 3hn3 s SER 249 CO 0.01 0.28 -0.23 -0.69 0.41 0.00 0.00 173.24 173.02 3hn3 s VAL 250 N -0.35 1.91 0.15 3.43 1.01 -1.26 -0.37 120.40 124.93 3hn3 s VAL 250 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.14 3hn3 s VAL 250 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3hn3 s VAL 250 CO 0.02 0.53 -0.12 -0.54 0.00 0.00 0.00 175.10 175.00 3hn3 s LYS 251 N 0.12 2.00 0.00 2.72 -0.14 -0.59 -4.85 119.74 119.00 3hn3 s LYS 251 Ca -0.11 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 3hn3 s LYS 251 Cb -0.15 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 3hn3 s LYS 251 CO 0.06 0.46 0.00 0.41 -0.76 0.00 0.00 175.35 175.51 3hn3 n GLY 252 N 0.31 3.13 3.01 -3.33 0.00 -1.26 -1.20 105.19 105.85 3hn3 n GLY 252 Ca -0.12 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 3hn3 n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hn3 s SER 253 N 0.00 0.57 0.00 1.61 0.15 -1.26 -4.90 113.70 109.87 3hn3 s SER 253 Ca 0.00 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.47 3hn3 s SER 253 Cb 0.00 0.04 0.19 0.00 -1.71 0.00 0.00 66.02 64.54 3hn3 s SER 253 CO 0.00 -0.17 1.25 -0.46 1.20 0.00 0.00 173.24 175.06 3hn3 n ASN 254 N 1.86 2.80 -4.27 5.45 0.23 -1.26 -4.77 115.26 115.30 3hn3 n ASN 254 Ca -0.21 -1.91 -0.44 0.00 -0.53 0.00 0.00 54.58 51.50 3hn3 n ASN 254 Cb 0.56 0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 3hn3 n ASN 254 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hn3 s LEU 255 N -2.07 5.97 0.17 -4.53 1.43 -1.26 -5.03 118.68 113.36 3hn3 s LEU 255 Ca 0.27 -1.83 -0.23 0.00 -1.03 0.00 0.00 54.13 51.30 3hn3 s LEU 255 Cb 0.20 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.35 3hn3 s LEU 255 CO 0.34 -0.79 0.71 0.72 0.23 0.00 0.00 176.35 177.56 3hn3 s PHE 256 N 1.50 -0.37 0.06 0.29 -0.71 -1.26 -0.77 117.98 116.71 3hn3 s PHE 256 Ca 0.04 0.09 0.06 0.00 -1.04 0.00 0.00 56.93 56.08 3hn3 s PHE 256 Cb -0.28 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 3hn3 s PHE 256 CO 0.01 -0.93 -0.16 -1.59 -1.34 0.00 0.00 175.22 171.22 3hn3 s LYS 257 N -3.68 0.97 -0.08 1.99 -2.85 0.33 -5.00 119.74 111.42 3hn3 s LYS 257 Ca 0.06 -0.88 0.04 0.00 -1.00 0.00 0.00 55.97 54.18 3hn3 s LYS 257 Cb -0.03 -1.02 -0.01 0.00 -2.06 0.00 0.00 37.83 34.71 3hn3 s LYS 257 CO -0.05 0.24 -0.20 -0.51 0.10 0.00 0.00 175.35 174.93 3hn3 s LEU 258 N -1.40 2.35 -0.04 2.77 1.43 -1.26 -0.98 118.68 121.55 3hn3 s LEU 258 Ca 0.02 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3hn3 s LEU 258 Cb -0.09 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3hn3 s LEU 258 CO 0.02 0.23 -0.19 -1.61 0.23 0.00 0.00 176.35 175.02 3hn3 s GLU 259 N -0.05 2.41 -0.04 1.70 2.02 -0.18 -2.15 118.70 122.41 3hn3 s GLU 259 Ca -0.05 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3hn3 s GLU 259 Cb -0.14 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.85 3hn3 s GLU 259 CO 0.05 0.56 -0.08 0.08 0.02 0.00 0.00 175.26 175.89 3hn3 s VAL 260 N -0.58 0.76 0.03 2.63 1.01 -0.38 -0.57 120.40 123.29 3hn3 s VAL 260 Ca 0.08 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3hn3 s VAL 260 Cb -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3hn3 s VAL 260 CO 0.00 0.26 -0.18 -0.13 0.00 0.00 0.00 175.10 175.06 3hn3 s ARG 261 N 0.63 1.28 -0.23 2.72 0.52 -0.49 -0.03 118.95 123.35 3hn3 s ARG 261 Ca -0.10 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 3hn3 s ARG 261 Cb -0.13 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 3hn3 s ARG 261 CO 0.01 0.34 0.11 -1.17 0.02 0.00 0.00 175.30 174.61 3hn3 s LEU 262 N -0.97 3.80 -0.10 2.53 2.96 0.74 -0.56 118.68 127.09 3hn3 s LEU 262 Ca 0.06 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hn3 s LEU 262 Cb -0.08 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3hn3 s LEU 262 CO 0.01 0.04 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.32 3hn3 s LEU 263 N 1.16 3.53 0.00 -0.68 1.43 0.12 -0.87 118.68 123.37 3hn3 s LEU 263 Ca 0.06 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3hn3 s LEU 263 Cb -0.14 -1.81 0.09 0.00 0.03 0.00 0.00 46.19 44.36 3hn3 s LEU 263 CO 0.04 0.35 0.47 -0.90 0.23 0.00 0.00 176.35 176.55 3hn3 n ASP 264 N 2.34 -0.29 0.26 2.29 5.68 0.50 -0.51 116.55 126.83 3hn3 n ASP 264 Ca -0.18 -1.08 0.12 0.00 -0.50 0.00 0.00 54.79 53.15 3hn3 n ASP 264 Cb 0.53 -0.38 0.73 0.00 -1.14 0.00 0.00 41.12 40.87 3hn3 n ASP 264 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hn3 h ALA 265 N -2.00 1.41 -0.96 2.12 0.00 -1.89 -0.20 119.26 117.73 3hn3 h ALA 265 Ca -0.16 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.07 3hn3 h ALA 265 Cb 0.44 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.92 3hn3 h ALA 265 CO 0.11 0.13 0.69 -1.91 0.00 0.00 0.00 179.25 178.26 3hn3 n GLU 266 N -3.80 2.49 -2.43 0.00 2.13 -1.26 -4.94 120.64 112.83 3hn3 n GLU 266 Ca -0.02 -3.19 -0.04 0.00 0.66 0.00 0.00 57.16 54.57 3hn3 n GLU 266 Cb 0.20 -2.22 -0.00 0.00 0.27 0.00 0.00 31.44 29.69 3hn3 n GLU 266 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3hn3 n ASN 267 N -1.02 -1.89 -4.74 4.31 0.23 -0.09 -4.94 115.26 107.12 3hn3 n ASN 267 Ca 0.60 0.39 -0.38 0.00 -0.53 0.00 0.00 54.58 54.65 3hn3 n ASN 267 Cb 1.13 -1.73 -0.06 0.00 -2.08 0.00 0.00 39.78 37.05 3hn3 n ASN 267 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3hn3 s LYS 268 N -4.91 4.32 -0.05 -3.83 2.20 -1.26 -4.78 119.74 111.44 3hn3 s LYS 268 Ca 0.00 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 3hn3 s LYS 268 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3hn3 s LYS 268 CO 0.00 0.23 1.46 0.08 -0.36 0.00 0.00 175.35 176.76 3hn3 s VAL 269 N 0.34 3.75 -0.36 4.02 1.01 -1.26 -0.37 120.40 127.54 3hn3 s VAL 269 Ca 0.29 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.38 3hn3 s VAL 269 Cb -0.16 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3hn3 s VAL 269 CO 0.13 -0.05 0.34 1.33 0.00 0.00 0.00 175.10 176.85 3hn3 n VAL 270 N 5.06 0.00 -3.53 2.92 0.24 -0.05 -4.94 118.33 118.03 3hn3 n VAL 270 Ca 0.15 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 3hn3 n VAL 270 Cb 0.43 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.70 3hn3 n VAL 270 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hn3 s ALA 271 N -1.85 -1.83 0.12 2.33 0.00 -1.21 -4.77 121.76 114.56 3hn3 s ALA 271 Ca 0.03 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 3hn3 s ALA 271 Cb 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3hn3 s ALA 271 CO 0.34 -0.45 0.46 0.54 0.00 0.00 0.00 175.76 176.65 3hn3 s ASN 272 N -1.59 -0.34 0.05 0.00 4.22 -1.26 -0.18 114.94 115.84 3hn3 s ASN 272 Ca -0.03 -0.18 -0.02 0.00 -2.14 0.00 0.00 52.86 50.50 3hn3 s ASN 272 Cb -0.00 0.50 0.01 0.00 1.28 0.00 0.00 41.25 43.03 3hn3 s ASN 272 CO 0.00 -0.86 0.10 0.61 -2.04 0.00 0.00 177.10 174.92 3hn3 n GLY 273 N -0.16 1.97 3.30 0.45 0.00 0.95 -4.97 105.19 106.73 3hn3 n GLY 273 Ca -0.17 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 3hn3 n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hn3 s THR 274 N -2.84 0.00 0.00 2.61 -4.23 -1.26 -1.26 115.64 108.66 3hn3 s THR 274 Ca 0.02 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3hn3 s THR 274 Cb -0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3hn3 s THR 274 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3hn3 n GLY 275 N -0.49 -0.98 0.01 3.99 0.00 -0.92 -4.48 105.19 102.33 3hn3 n GLY 275 Ca 0.05 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.55 3hn3 n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hn3 n THR 276 N -1.03 0.00 -3.64 2.61 -2.24 -1.26 -4.75 114.28 103.97 3hn3 n THR 276 Ca 0.00 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 3hn3 n THR 276 Cb 0.00 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 3hn3 n THR 276 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hn3 s GLN 277 N -2.90 1.01 0.00 -0.78 -2.07 -1.26 -0.28 119.66 113.38 3hn3 s GLN 277 Ca 0.17 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.12 3hn3 s GLN 277 Cb 0.19 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 3hn3 s GLN 277 CO 0.54 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.54 3hn3 n GLY 278 N 0.04 -0.48 2.97 2.60 0.00 -0.95 -4.88 105.19 104.49 3hn3 n GLY 278 Ca -0.17 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 3hn3 n GLY 278 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hn3 s GLN 279 N -2.00 1.14 -0.11 1.61 0.74 -1.26 -1.05 119.66 118.73 3hn3 s GLN 279 Ca 0.00 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 3hn3 s GLN 279 Cb 0.00 -1.03 -0.04 0.00 1.10 0.00 0.00 33.01 33.04 3hn3 s GLN 279 CO 0.00 0.02 0.05 -0.51 -0.55 0.00 0.00 175.29 174.30 3hn3 s LEU 280 N 0.59 3.84 -0.15 3.68 1.43 0.82 -4.93 118.68 123.96 3hn3 s LEU 280 Ca -0.10 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3hn3 s LEU 280 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3hn3 s LEU 280 CO 0.01 0.36 -0.03 -0.75 0.23 0.00 0.00 176.35 176.18 3hn3 s LYS 281 N -0.75 3.67 -0.37 1.70 2.20 -1.26 -0.45 119.74 124.48 3hn3 s LYS 281 Ca 0.12 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 3hn3 s LYS 281 Cb -0.12 -2.93 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3hn3 s LYS 281 CO 0.03 0.27 0.11 0.08 -0.36 0.00 0.00 175.35 175.48 3hn3 s VAL 282 N 0.29 2.80 0.38 4.02 1.01 0.67 -4.73 120.40 124.84 3hn3 s VAL 282 Ca -0.03 -2.12 -0.28 0.00 0.00 0.00 0.00 61.98 59.55 3hn3 s VAL 282 Cb -0.14 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 3hn3 s VAL 282 CO 0.03 -0.59 1.37 -2.84 0.00 0.00 0.00 175.10 173.07 3hn3 s PRO 283 N 1.04 4.12 -1.34 2.72 0.02 -1.26 -0.92 135.00 139.38 3hn3 s PRO 283 Ca 0.08 2.34 -0.02 0.00 0.02 0.00 0.00 61.00 63.41 3hn3 s PRO 283 Cb -0.21 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.39 3hn3 s PRO 283 CO -0.06 -0.43 0.56 0.41 -0.33 0.00 0.00 177.00 177.15 3hn3 n GLY 284 N 0.64 -0.33 3.76 0.52 0.00 -1.03 -4.89 105.19 103.86 3hn3 n GLY 284 Ca 0.02 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3hn3 n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hn3 s VAL 285 N -3.80 2.86 -0.49 1.61 0.11 -0.62 -5.00 120.40 115.06 3hn3 s VAL 285 Ca 0.05 0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 3hn3 s VAL 285 Cb -0.02 -3.19 0.10 0.00 -1.53 0.00 0.00 36.38 31.74 3hn3 s VAL 285 CO 0.86 -0.13 0.41 -0.44 -3.33 0.00 0.00 175.10 172.47 3hn3 s SER 286 N -1.72 6.03 0.65 3.54 0.01 -1.26 -4.95 113.70 116.00 3hn3 s SER 286 Ca 0.75 -1.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 3hn3 s SER 286 Cb -0.27 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 3hn3 s SER 286 CO 0.31 -0.72 1.18 -0.76 0.41 0.00 0.00 173.24 173.67 3hn3 s LEU 287 N 1.56 3.48 -0.24 2.44 1.02 -1.26 -4.67 118.68 121.00 3hn3 s LEU 287 Ca 0.04 2.27 -0.27 0.00 0.02 0.00 0.00 54.13 56.19 3hn3 s LEU 287 Cb -0.26 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.37 3hn3 s LEU 287 CO 0.04 -1.81 0.95 0.86 0.02 0.00 0.00 176.35 176.40 3hn3 s TRP 288 N -1.92 3.32 -0.03 0.29 -0.00 0.05 -4.32 118.94 116.33 3hn3 s TRP 288 Ca 0.74 1.30 0.05 0.00 -0.00 0.00 0.00 56.10 58.19 3hn3 s TRP 288 Cb -0.27 -3.19 -0.03 0.00 -0.00 0.00 0.00 33.47 29.98 3hn3 s TRP 288 CO 0.39 -0.46 -0.18 -1.58 -0.00 0.00 0.00 176.95 175.12 3hn3 s TRP 289 N 3.06 2.59 0.58 5.86 0.52 -1.26 -4.69 118.94 125.60 3hn3 s TRP 289 Ca 0.40 -0.24 -0.21 0.00 0.02 0.00 0.00 56.10 56.07 3hn3 s TRP 289 Cb -0.15 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 3hn3 s TRP 289 CO 0.07 0.15 1.34 -2.14 0.02 0.00 0.00 176.95 176.40 3hn3 s PRO 290 N -0.84 2.95 -0.03 4.98 0.02 -1.26 0.16 135.00 140.98 3hn3 s PRO 290 Ca 0.12 2.20 -0.39 0.00 0.02 0.00 0.00 61.00 62.94 3hn3 s PRO 290 Cb -0.10 -2.13 -0.18 0.00 0.02 0.00 0.00 34.50 32.10 3hn3 s PRO 290 CO 0.01 -1.32 1.29 0.98 -0.33 0.00 0.00 177.00 177.62 3hn3 n TYR 291 N -1.30 1.22 -0.87 6.54 9.36 0.29 -0.84 117.16 131.55 3hn3 n TYR 291 Ca 0.12 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.19 3hn3 n TYR 291 Cb 0.46 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 3hn3 n TYR 291 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3hn3 n LEU 292 N 2.48 0.27 0.05 2.98 4.77 -1.26 -4.77 117.00 121.52 3hn3 n LEU 292 Ca 0.21 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 3hn3 n LEU 292 Cb 0.12 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3hn3 n LEU 292 CO 0.66 -0.15 0.12 0.80 -1.33 0.00 0.00 177.39 177.49 3hn3 n MET 293 N -1.99 0.33 -3.63 3.23 1.56 -0.02 -4.93 117.12 111.66 3hn3 n MET 293 Ca 0.00 0.04 -0.16 0.00 -0.27 0.00 0.00 57.70 57.31 3hn3 n MET 293 Cb 0.01 -1.65 -0.07 0.00 2.15 0.00 0.00 33.22 33.66 3hn3 n MET 293 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 3hn3 s HIS 294 N -3.21 -0.48 0.45 1.12 5.65 -1.24 -4.98 115.29 112.60 3hn3 s HIS 294 Ca 0.04 0.85 0.31 0.00 0.25 0.00 0.00 55.06 56.52 3hn3 s HIS 294 Cb 0.13 0.27 1.65 0.00 -1.18 0.00 0.00 32.58 33.46 3hn3 s HIS 294 CO 0.77 -0.49 2.14 0.93 -0.65 0.00 0.00 174.74 177.44 3hn3 h GLU 295 N 3.61 0.00 -2.74 2.88 5.08 -1.94 -3.26 114.58 118.21 3hn3 h GLU 295 Ca -0.28 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 3hn3 h GLU 295 Cb 1.16 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.00 3hn3 h GLU 295 CO 0.36 0.07 -0.71 0.54 -1.00 0.00 0.00 179.01 178.27 3hn3 n ARG 296 N -3.52 1.41 -1.73 2.33 1.74 -1.26 -5.07 116.66 110.57 3hn3 n ARG 296 Ca -0.02 -4.09 -0.30 0.00 -0.77 0.00 0.00 57.85 52.67 3hn3 n ARG 296 Cb 0.20 -2.06 0.08 0.00 -1.02 0.00 0.00 32.46 29.66 3hn3 n ARG 296 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hn3 s PRO 297 N -1.16 2.18 -1.44 5.56 0.04 -1.23 -4.44 135.00 134.52 3hn3 s PRO 297 Ca 0.29 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.74 3hn3 s PRO 297 Cb 0.01 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3hn3 s PRO 297 CO -0.16 -1.50 0.30 0.00 0.04 0.00 0.00 177.00 175.68 3hn3 n ALA 298 N -3.32 -0.71 -1.77 8.56 0.00 0.12 -4.83 120.51 118.56 3hn3 n ALA 298 Ca 0.07 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3hn3 n ALA 298 Cb 0.58 -2.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 3hn3 n ALA 298 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hn3 s TYR 299 N -3.02 2.37 -0.13 0.00 6.14 -1.26 -4.78 117.35 116.68 3hn3 s TYR 299 Ca 0.15 0.14 0.03 0.00 0.64 0.00 0.00 57.07 58.03 3hn3 s TYR 299 Cb -0.07 -4.11 0.00 0.00 0.42 0.00 0.00 41.96 38.20 3hn3 s TYR 299 CO 0.19 -4.49 -0.22 -0.51 0.64 0.00 0.00 175.55 171.16 3hn3 s LEU 300 N 2.38 2.16 0.72 6.97 1.43 -1.26 -4.24 118.68 126.83 3hn3 s LEU 300 Ca 0.78 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3hn3 s LEU 300 Cb -0.45 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.40 3hn3 s LEU 300 CO 0.35 0.11 1.02 -0.31 0.23 0.00 0.00 176.35 177.74 3hn3 s TYR 301 N 0.63 2.57 -0.04 0.29 2.02 0.12 -4.12 117.35 118.82 3hn3 s TYR 301 Ca -0.11 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 3hn3 s TYR 301 Cb -0.16 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 3hn3 s TYR 301 CO 0.02 -1.52 -0.14 -1.54 -1.57 0.00 0.00 175.55 170.80 3hn3 s SER 302 N -4.58 1.80 -0.56 2.29 1.04 0.33 -0.29 113.70 113.74 3hn3 s SER 302 Ca 0.62 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 3hn3 s SER 302 Cb -0.09 -0.58 0.11 0.00 0.10 0.00 0.00 66.02 65.56 3hn3 s SER 302 CO 0.45 0.10 0.60 -0.22 0.98 0.00 0.00 173.24 175.14 3hn3 s LEU 303 N 0.24 5.69 -0.30 2.42 2.96 0.61 0.14 118.68 130.43 3hn3 s LEU 303 Ca -0.06 -1.53 -0.23 0.00 -0.22 0.00 0.00 54.13 52.09 3hn3 s LEU 303 Cb -0.12 -2.27 -0.00 0.00 0.50 0.00 0.00 46.19 44.30 3hn3 s LEU 303 CO 0.02 -0.96 0.76 -0.70 -1.32 0.00 0.00 176.35 174.15 3hn3 s GLU 304 N 2.18 3.96 -0.19 1.98 2.12 0.28 -1.25 118.70 127.79 3hn3 s GLU 304 Ca 0.08 0.56 -0.04 0.00 0.36 0.00 0.00 54.97 55.92 3hn3 s GLU 304 Cb -0.26 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 3hn3 s GLU 304 CO 0.05 -0.65 -0.02 0.08 -0.54 0.00 0.00 175.26 174.18 3hn3 s VAL 305 N 2.90 3.83 -0.23 3.70 1.01 0.23 -1.39 120.40 130.45 3hn3 s VAL 305 Ca 0.31 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3hn3 s VAL 305 Cb -0.14 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3hn3 s VAL 305 CO 0.12 0.45 -0.10 -1.58 0.00 0.00 0.00 175.10 173.99 3hn3 s GLN 306 N 0.86 2.08 -0.12 2.72 0.74 0.27 -1.96 119.66 124.25 3hn3 s GLN 306 Ca -0.00 -1.05 -0.13 0.00 0.05 0.00 0.00 55.36 54.22 3hn3 s GLN 306 Cb -0.14 -2.64 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 3hn3 s GLN 306 CO 0.02 -0.50 0.30 -1.17 -0.55 0.00 0.00 175.29 173.39 3hn3 s LEU 307 N 1.28 4.31 -0.21 3.68 2.96 0.28 -1.01 118.68 129.98 3hn3 s LEU 307 Ca -0.05 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3hn3 s LEU 307 Cb -0.18 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.14 3hn3 s LEU 307 CO -0.07 0.18 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.11 3hn3 s THR 308 N -0.03 2.41 0.13 3.68 2.01 -0.15 -1.23 115.64 122.46 3hn3 s THR 308 Ca 0.18 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.29 3hn3 s THR 308 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3hn3 s THR 308 CO 0.06 0.40 -0.18 0.00 -0.69 0.00 0.00 174.62 174.20 3hn3 s ALA 309 N 1.30 1.77 -0.30 7.40 0.00 -0.46 -0.52 121.76 130.95 3hn3 s ALA 309 Ca 0.03 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 3hn3 s ALA 309 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3hn3 s ALA 309 CO -0.09 0.25 0.11 -0.65 0.00 0.00 0.00 175.76 175.38 3hn3 s GLN 310 N -2.36 3.21 0.46 0.00 1.11 0.05 -1.20 119.66 120.94 3hn3 s GLN 310 Ca 0.09 -0.78 0.06 0.00 0.01 0.00 0.00 55.36 54.74 3hn3 s GLN 310 Cb -0.07 -3.45 -0.02 0.00 -1.01 0.00 0.00 33.01 28.46 3hn3 s GLN 310 CO 0.05 -0.42 0.21 0.95 0.01 0.00 0.00 175.29 176.09 3hn3 s THR 311 N 1.55 1.95 0.12 -0.19 -4.23 0.13 -4.63 115.64 110.34 3hn3 s THR 311 Ca 0.04 -1.69 0.34 0.00 -1.18 0.00 0.00 61.69 59.20 3hn3 s THR 311 Cb -0.17 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.42 3hn3 s THR 311 CO 0.04 0.00 2.01 0.28 -0.54 0.00 0.00 174.62 176.41 3hn3 h SER 312 N 1.23 0.00 -0.44 3.99 0.02 -1.98 -1.81 113.55 114.56 3hn3 h SER 312 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3hn3 h SER 312 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3hn3 h SER 312 CO 0.67 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.54 3hn3 n LEU 313 N -2.98 4.42 0.00 5.07 4.77 -1.26 -5.08 117.00 121.94 3hn3 n LEU 313 Ca 0.00 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 3hn3 n LEU 313 Cb 0.25 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3hn3 n LEU 313 CO 0.25 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3hn3 n GLY 314 N 0.27 -1.19 3.81 -0.72 0.00 -0.68 -5.02 105.19 101.65 3hn3 n GLY 314 Ca 0.23 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3hn3 n GLY 314 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hn3 s PRO 315 N -0.44 3.71 0.04 1.61 0.04 -1.26 -0.70 135.00 138.00 3hn3 s PRO 315 Ca 0.00 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 3hn3 s PRO 315 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3hn3 s PRO 315 CO 0.00 -0.49 0.01 0.14 0.04 0.00 0.00 177.00 176.70 3hn3 s VAL 316 N -2.20 0.17 -0.03 -0.36 -7.23 -0.34 -4.89 120.40 105.51 3hn3 s VAL 316 Ca 0.65 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 3hn3 s VAL 316 Cb -0.15 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 3hn3 s VAL 316 CO 0.25 -0.75 -0.15 -0.44 -0.31 0.00 0.00 175.10 173.70 3hn3 s SER 317 N -2.32 3.94 -0.04 4.85 0.01 -1.26 -1.35 113.70 117.53 3hn3 s SER 317 Ca -0.02 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3hn3 s SER 317 Cb 0.01 -0.77 0.01 0.00 0.21 0.00 0.00 66.02 65.47 3hn3 s SER 317 CO -0.06 0.32 -0.09 -0.62 0.41 0.00 0.00 173.24 173.19 3hn3 s ASP 318 N -0.91 1.33 -0.12 2.44 2.15 -0.37 -4.74 116.67 116.46 3hn3 s ASP 318 Ca 0.12 -0.21 0.03 0.00 0.43 0.00 0.00 52.55 52.92 3hn3 s ASP 318 Cb -0.11 -0.45 0.01 0.00 -0.30 0.00 0.00 42.92 42.07 3hn3 s ASP 318 CO 0.02 0.05 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.49 3hn3 s PHE 319 N 0.37 2.47 -0.02 -5.34 0.40 -1.26 -0.56 117.98 114.04 3hn3 s PHE 319 Ca -0.06 -1.14 0.02 0.00 -0.60 0.00 0.00 56.93 55.15 3hn3 s PHE 319 Cb -0.11 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.74 3hn3 s PHE 319 CO 0.01 -0.50 -0.07 -0.47 0.70 0.00 0.00 175.22 174.89 3hn3 s TYR 320 N 0.64 0.73 -0.15 0.36 6.14 -0.83 -4.72 117.35 119.52 3hn3 s TYR 320 Ca -0.12 -0.17 0.02 0.00 0.64 0.00 0.00 57.07 57.44 3hn3 s TYR 320 Cb -0.16 -0.54 0.01 0.00 0.42 0.00 0.00 41.96 41.69 3hn3 s TYR 320 CO 0.03 -0.09 -0.21 0.99 0.64 0.00 0.00 175.55 176.91 3hn3 s THR 321 N 0.26 2.12 -0.19 4.34 2.01 -1.26 -0.60 115.64 122.32 3hn3 s THR 321 Ca -0.03 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3hn3 s THR 321 Cb -0.08 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 3hn3 s THR 321 CO 0.00 0.54 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.17 3hn3 s LEU 322 N 0.88 2.79 0.41 4.42 2.96 -0.38 -4.92 118.68 124.84 3hn3 s LEU 322 Ca -0.05 -0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 53.21 3hn3 s LEU 322 Cb -0.15 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.76 3hn3 s LEU 322 CO -0.03 0.04 1.42 -2.84 -1.32 0.00 0.00 176.35 173.62 3hn3 s PRO 323 N 1.09 3.90 -0.06 0.98 0.02 -1.26 -0.29 135.00 139.39 3hn3 s PRO 323 Ca 0.01 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3hn3 s PRO 323 Cb -0.15 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.60 3hn3 s PRO 323 CO -0.02 -0.64 -0.05 0.08 -0.33 0.00 0.00 177.00 176.04 3hn3 s VAL 324 N -1.18 0.61 -0.19 3.83 1.01 0.60 -4.85 120.40 120.23 3hn3 s VAL 324 Ca 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3hn3 s VAL 324 Cb -0.44 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3hn3 s VAL 324 CO 0.57 0.25 -0.09 -0.83 0.00 0.00 0.00 175.10 175.01 3hn3 s GLY 325 N 1.10 1.55 -0.46 4.51 0.00 -1.26 0.14 107.32 112.91 3hn3 s GLY 325 Ca -0.08 -1.12 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 3hn3 s GLY 325 CO -0.01 0.27 0.83 -0.42 0.00 0.00 0.00 173.10 173.77 3hn3 s ILE 326 N 1.20 4.58 -0.02 0.90 1.01 -1.26 -4.77 121.20 122.84 3hn3 s ILE 326 Ca 0.02 0.48 -0.28 0.00 0.00 0.00 0.00 60.65 60.87 3hn3 s ILE 326 Cb -0.14 -4.37 0.09 0.00 0.01 0.00 0.00 42.46 38.05 3hn3 s ILE 326 CO -0.03 -0.79 0.80 0.00 0.00 0.00 0.00 174.94 174.91 3hn3 s ARG 327 N 3.47 0.93 0.20 2.79 1.04 -1.26 -0.77 118.95 125.35 3hn3 s ARG 327 Ca 0.32 -0.08 0.10 0.00 -1.04 0.00 0.00 55.73 55.02 3hn3 s ARG 327 Cb -0.12 0.43 -0.04 0.00 -2.04 0.00 0.00 34.95 33.18 3hn3 s ARG 327 CO 0.23 -0.35 -0.19 0.95 -0.04 0.00 0.00 175.30 175.90 3hn3 s THR 328 N -2.27 2.04 -0.04 4.99 -4.23 -1.26 -4.64 115.64 110.23 3hn3 s THR 328 Ca -0.02 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.40 3hn3 s THR 328 Cb -0.01 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.81 3hn3 s THR 328 CO -0.02 -0.36 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.93 3hn3 s VAL 329 N -2.27 0.77 0.08 2.29 1.01 -1.26 -1.36 120.40 119.65 3hn3 s VAL 329 Ca 0.21 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 3hn3 s VAL 329 Cb -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3hn3 s VAL 329 CO 0.09 0.26 0.22 0.00 0.00 0.00 0.00 175.10 175.67 3hn3 s ALA 330 N 0.60 -0.36 -0.02 5.51 0.00 0.00 -4.86 121.76 122.63 3hn3 s ALA 330 Ca -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3hn3 s ALA 330 Cb -0.13 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3hn3 s ALA 330 CO 0.01 -0.48 -0.14 0.54 0.00 0.00 0.00 175.76 175.69 3hn3 s VAL 331 N -3.41 1.17 0.00 0.00 0.11 -1.26 0.22 120.40 117.23 3hn3 s VAL 331 Ca 0.01 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 3hn3 s VAL 331 Cb 0.03 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3hn3 s VAL 331 CO -0.09 0.34 0.00 0.35 -3.33 0.00 0.00 175.10 172.37 3hn3 n THR 332 N 2.93 0.00 0.40 5.04 -2.24 -0.16 -4.99 114.28 115.25 3hn3 n THR 332 Ca -0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3hn3 n THR 332 Cb 0.54 -0.45 0.48 0.00 -2.10 0.00 0.00 70.33 68.80 3hn3 n THR 332 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hn3 h LYS 333 N 0.00 0.00 0.00 -0.78 1.57 -1.97 -3.37 116.57 112.02 3hn3 h LYS 333 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hn3 h LYS 333 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hn3 h LYS 333 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3hn3 n SER 334 N -2.55 0.09 -4.06 0.86 3.41 -1.26 -3.25 113.62 106.86 3hn3 n SER 334 Ca 0.03 -0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 58.02 3hn3 n SER 334 Cb 0.33 0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 3hn3 n SER 334 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hn3 s GLN 335 N -0.13 0.56 -0.28 4.33 -0.21 -1.26 -4.35 119.66 118.33 3hn3 s GLN 335 Ca 0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.64 3hn3 s GLN 335 Cb 0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 33.01 33.61 3hn3 s GLN 335 CO 0.00 0.08 0.06 0.12 -2.12 0.00 0.00 175.29 173.44 3hn3 s PHE 336 N -1.12 3.11 -0.21 0.91 2.19 -1.26 -0.99 117.98 120.60 3hn3 s PHE 336 Ca -0.06 -0.83 -0.06 0.00 0.33 0.00 0.00 56.93 56.31 3hn3 s PHE 336 Cb -0.08 -2.23 -0.02 0.00 -1.31 0.00 0.00 43.02 39.37 3hn3 s PHE 336 CO 0.01 -0.52 0.02 -0.51 1.83 0.00 0.00 175.22 176.04 3hn3 s LEU 337 N 1.53 3.29 -0.15 6.12 1.43 0.13 0.02 118.68 131.06 3hn3 s LEU 337 Ca 0.04 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3hn3 s LEU 337 Cb -0.16 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3hn3 s LEU 337 CO 0.02 0.03 -0.09 -0.63 0.23 0.00 0.00 176.35 175.92 3hn3 s ILE 338 N 1.19 3.41 -1.35 -0.59 1.01 -0.28 -0.82 121.20 123.76 3hn3 s ILE 338 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3hn3 s ILE 338 Cb -0.14 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.89 3hn3 s ILE 338 CO 0.02 0.50 0.46 0.59 0.00 0.00 0.00 174.94 176.50 3hn3 n ASN 339 N 3.67 -4.57 0.00 3.58 3.02 -0.46 -1.37 115.26 119.12 3hn3 n ASN 339 Ca -0.18 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3hn3 n ASN 339 Cb 0.52 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3hn3 n ASN 339 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hn3 n GLY 340 N -1.24 0.72 3.53 7.41 0.00 -1.26 -5.00 105.19 109.34 3hn3 n GLY 340 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3hn3 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hn3 s LYS 341 N -0.20 2.77 0.19 1.61 1.02 -0.47 -5.01 119.74 119.65 3hn3 s LYS 341 Ca 0.00 -0.60 -0.33 0.00 0.02 0.00 0.00 55.97 55.06 3hn3 s LYS 341 Cb 0.00 -2.55 -0.13 0.00 -0.52 0.00 0.00 37.83 34.63 3hn3 s LYS 341 CO 0.00 0.60 1.57 -2.30 -0.92 0.00 0.00 175.35 174.30 3hn3 n PRO 342 N 2.41 2.25 -4.54 -1.68 -0.02 -1.26 -1.12 135.00 131.04 3hn3 n PRO 342 Ca -0.18 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 3hn3 n PRO 342 Cb 0.53 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 3hn3 n PRO 342 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hn3 s PHE 343 N 0.74 2.52 -0.11 6.00 5.36 0.10 -4.85 117.98 127.74 3hn3 s PHE 343 Ca 0.76 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 3hn3 s PHE 343 Cb -0.64 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 3hn3 s PHE 343 CO 0.39 0.29 -0.10 -0.47 -1.46 0.00 0.00 175.22 173.88 3hn3 s TYR 344 N -1.00 1.58 -0.13 10.12 6.14 -1.26 -4.46 117.35 128.34 3hn3 s TYR 344 Ca 0.15 -0.76 -0.29 0.00 0.64 0.00 0.00 57.07 56.81 3hn3 s TYR 344 Cb -0.10 -1.25 -0.03 0.00 0.42 0.00 0.00 41.96 41.00 3hn3 s TYR 344 CO 0.07 -0.48 1.42 -0.06 0.64 0.00 0.00 175.55 177.14 3hn3 s PHE 345 N 1.44 2.49 -0.43 4.97 0.08 -0.46 -4.95 117.98 121.11 3hn3 s PHE 345 Ca 0.00 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.76 3hn3 s PHE 345 Cb -0.13 -3.69 0.12 0.00 -0.57 0.00 0.00 43.02 38.75 3hn3 s PHE 345 CO -0.06 -2.55 0.20 -3.38 -0.10 0.00 0.00 175.22 169.33 3hn3 s HIS 346 N 3.80 2.48 0.00 0.36 -3.43 -1.26 -0.94 115.29 116.30 3hn3 s HIS 346 Ca 0.62 -2.60 0.00 0.00 -0.80 0.00 0.00 55.06 52.28 3hn3 s HIS 346 Cb -0.26 -2.24 0.00 0.00 -1.43 0.00 0.00 32.58 28.65 3hn3 s HIS 346 CO 0.21 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.56 3hn3 n GLY 347 N 3.69 4.52 3.14 -1.38 0.00 -0.58 -1.64 105.19 112.93 3hn3 n GLY 347 Ca 0.06 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 3hn3 n GLY 347 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hn3 s VAL 348 N -1.47 0.13 0.18 1.61 -7.23 -0.78 -2.33 120.40 110.51 3hn3 s VAL 348 Ca 0.00 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 3hn3 s VAL 348 Cb 0.00 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3hn3 s VAL 348 CO 0.00 -0.58 0.41 0.20 -0.31 0.00 0.00 175.10 174.82 3hn3 s ASN 349 N -3.02 6.46 0.06 4.85 0.01 -0.27 -2.60 114.94 120.44 3hn3 s ASN 349 Ca 0.20 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.92 3hn3 s ASN 349 Cb 0.08 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.65 3hn3 s ASN 349 CO -0.01 -0.01 0.02 0.29 -1.51 0.00 0.00 177.10 175.88 3hn3 n LYS 350 N -0.26 0.84 -3.60 -0.60 5.02 -1.23 -0.54 118.16 117.78 3hn3 n LYS 350 Ca -0.03 -0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 55.59 3hn3 n LYS 350 Cb 0.53 0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 35.79 3hn3 n LYS 350 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3hn3 s HIS 351 N -1.80 -0.36 -0.81 2.13 3.76 -1.26 -4.27 115.29 112.68 3hn3 s HIS 351 Ca 0.03 0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 55.04 3hn3 s HIS 351 Cb 0.00 0.31 0.08 0.00 1.11 0.00 0.00 32.58 34.08 3hn3 s HIS 351 CO 0.02 -0.64 1.14 -1.21 -0.85 0.00 0.00 174.74 173.20 3hn3 s GLU 352 N -2.72 3.35 -0.28 1.40 2.02 -1.26 -4.94 118.70 116.26 3hn3 s GLU 352 Ca -0.04 -1.08 -0.16 0.00 0.02 0.00 0.00 54.97 53.71 3hn3 s GLU 352 Cb -0.00 -4.62 0.08 0.00 0.10 0.00 0.00 34.13 29.69 3hn3 s GLU 352 CO -0.04 -1.91 0.69 0.34 0.02 0.00 0.00 175.26 174.36 3hn3 s ASP 353 N 3.89 -0.95 0.18 -0.19 -1.08 -1.25 -4.01 116.67 113.26 3hn3 s ASP 353 Ca 0.31 1.51 -0.22 0.00 -0.52 0.00 0.00 52.55 53.63 3hn3 s ASP 353 Cb -0.09 1.43 0.06 0.00 -1.46 0.00 0.00 42.92 42.85 3hn3 s ASP 353 CO 0.02 -0.24 0.59 0.00 0.52 0.00 0.00 175.17 176.06 3hn3 s ALA 354 N 1.69 -1.44 0.33 3.66 0.00 -0.42 -5.00 121.76 120.59 3hn3 s ALA 354 Ca -0.10 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 3hn3 s ALA 354 Cb -0.05 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.81 3hn3 s ALA 354 CO -0.20 -0.80 1.47 -0.25 0.00 0.00 0.00 175.76 175.98 3hn3 n ASP 355 N -0.37 3.47 0.00 0.00 8.00 -1.26 -2.42 116.55 123.97 3hn3 n ASP 355 Ca -0.15 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.54 3hn3 n ASP 355 Cb 0.64 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3hn3 n ASP 355 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hn3 n ILE 356 N 1.10 0.00 1.29 0.53 2.08 -1.26 -4.38 119.36 118.72 3hn3 n ILE 356 Ca 0.05 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.50 3hn3 n ILE 356 Cb 0.37 0.00 0.57 0.00 -0.75 0.00 0.00 39.64 39.82 3hn3 n ILE 356 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 3hn3 n ARG 357 N 0.00 0.49 0.00 0.38 1.85 -1.25 -4.23 116.66 113.91 3hn3 n ARG 357 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 3hn3 n ARG 357 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 3hn3 n ARG 357 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hn3 n GLY 358 N 1.34 3.03 0.78 2.89 0.00 -1.02 -0.79 105.19 111.43 3hn3 n GLY 358 Ca 0.12 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.49 3hn3 n GLY 358 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hn3 n LYS 359 N 7.87 1.99 -1.94 1.61 5.02 -1.26 -1.30 118.16 130.16 3hn3 n LYS 359 Ca 0.00 -1.53 -0.41 0.00 -2.02 0.00 0.00 58.31 54.35 3hn3 n LYS 359 Cb 0.00 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3hn3 n LYS 359 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hn3 s GLY 360 N -1.13 2.84 0.32 0.72 0.00 -0.34 -4.79 107.32 104.95 3hn3 s GLY 360 Ca 0.30 1.44 -0.29 0.00 0.00 0.00 0.00 44.72 46.17 3hn3 s GLY 360 CO 0.22 2.16 1.29 -0.12 0.00 0.00 0.00 173.10 176.64 3hn3 s PHE 361 N -0.93 3.11 -0.17 1.90 5.36 -0.29 -4.90 117.98 122.06 3hn3 s PHE 361 Ca 0.53 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.85 3hn3 s PHE 361 Cb -0.44 -3.64 0.07 0.00 -0.34 0.00 0.00 43.02 38.67 3hn3 s PHE 361 CO 0.56 -1.73 0.39 0.34 -1.46 0.00 0.00 175.22 173.32 3hn3 s ASP 362 N -0.50 -0.40 0.03 6.13 2.15 -1.26 -4.77 116.67 118.04 3hn3 s ASP 362 Ca 0.49 0.88 -0.26 0.00 0.43 0.00 0.00 52.55 54.09 3hn3 s ASP 362 Cb -0.39 0.88 -0.17 0.00 -0.30 0.00 0.00 42.92 42.94 3hn3 s ASP 362 CO 0.51 -0.20 1.39 -0.50 -0.17 0.00 0.00 175.17 176.20 3hn3 h TRP 363 N 7.43 -0.26 -0.55 -5.34 4.06 -1.99 -2.06 115.95 117.23 3hn3 h TRP 363 Ca -0.31 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 60.72 3hn3 h TRP 363 Cb 1.16 0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 29.34 3hn3 h TRP 363 CO 0.27 0.03 0.18 -1.35 -3.56 0.00 0.00 178.44 174.01 3hn3 h PRO 364 N -0.55 0.34 -0.31 0.49 0.11 -1.99 -0.89 132.00 129.19 3hn3 h PRO 364 Ca -0.03 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3hn3 h PRO 364 Cb 0.41 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3hn3 h PRO 364 CO 0.05 0.22 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.94 3hn3 h LEU 365 N 0.35 0.47 0.31 2.35 3.38 -1.99 -0.24 115.31 119.94 3hn3 h LEU 365 Ca 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hn3 h LEU 365 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hn3 h LEU 365 CO -0.30 0.57 -0.15 0.25 0.09 0.00 0.00 178.44 178.91 3hn3 h LEU 366 N 0.47 -0.35 -0.77 1.67 5.85 -0.62 -1.05 115.31 120.50 3hn3 h LEU 366 Ca 0.10 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3hn3 h LEU 366 Cb 0.39 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3hn3 h LEU 366 CO 0.02 -0.16 0.08 0.58 -0.34 0.00 0.00 178.44 178.62 3hn3 h VAL 367 N -0.52 1.26 -0.09 1.05 2.07 -0.97 -2.31 116.25 116.74 3hn3 h VAL 367 Ca -0.04 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3hn3 h VAL 367 Cb 0.39 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hn3 h VAL 367 CO 0.07 0.38 -0.00 0.50 0.02 0.00 0.00 177.57 178.54 3hn3 h LYS 368 N 0.95 0.03 -0.65 1.57 1.63 -0.99 -0.36 116.57 118.74 3hn3 h LYS 368 Ca 0.19 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.03 3hn3 h LYS 368 Cb 0.44 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 3hn3 h LYS 368 CO 0.01 0.02 0.38 -0.44 -3.45 0.00 0.00 179.45 175.97 3hn3 h ASP 369 N 0.03 0.58 -0.46 4.20 5.19 -0.95 0.35 116.42 125.36 3hn3 h ASP 369 Ca 0.04 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 3hn3 h ASP 369 Cb 0.05 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 3hn3 h ASP 369 CO -0.07 0.39 -0.14 -0.26 -3.12 0.00 0.00 179.24 176.03 3hn3 h PHE 370 N 0.71 1.05 -0.75 4.55 0.04 -1.15 0.93 116.94 122.33 3hn3 h PHE 370 Ca 0.28 -0.22 0.04 0.00 2.80 0.00 0.00 57.97 60.87 3hn3 h PHE 370 Cb 0.13 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3hn3 h PHE 370 CO -0.07 1.01 0.49 -0.91 -0.60 0.00 0.00 178.31 178.23 3hn3 h ASN 371 N 0.83 0.77 0.12 2.17 2.35 -0.45 -1.41 115.58 119.95 3hn3 h ASN 371 Ca 0.13 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3hn3 h ASN 371 Cb 0.68 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.89 3hn3 h ASN 371 CO 0.05 0.52 -0.87 -0.07 -1.65 0.00 0.00 177.43 175.41 3hn3 h LEU 372 N 0.88 0.71 -0.32 1.61 3.38 -0.46 -1.57 115.31 119.54 3hn3 h LEU 372 Ca 0.30 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3hn3 h LEU 372 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hn3 h LEU 372 CO -0.09 1.30 0.08 -0.07 0.09 0.00 0.00 178.44 179.75 3hn3 h LEU 373 N 0.36 0.05 -0.48 1.67 3.38 -0.56 0.11 115.31 119.85 3hn3 h LEU 373 Ca -0.07 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hn3 h LEU 373 Cb 1.50 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 3hn3 h LEU 373 CO 0.16 0.07 0.11 0.03 0.09 0.00 0.00 178.44 178.90 3hn3 h ARG 374 N 0.20 0.77 -0.65 1.13 3.08 -1.25 -1.39 114.38 116.27 3hn3 h ARG 374 Ca 0.15 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hn3 h ARG 374 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3hn3 h ARG 374 CO -0.18 0.76 0.41 2.35 -1.07 0.00 0.00 179.97 182.24 3hn3 h TRP 375 N 0.65 0.77 0.00 3.04 7.01 -1.07 -2.15 115.95 124.19 3hn3 h TRP 375 Ca 0.15 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3hn3 h TRP 375 Cb 0.34 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 3hn3 h TRP 375 CO 0.02 0.44 -0.04 1.25 -2.79 0.00 0.00 178.44 177.33 3hn3 h LEU 376 N 0.81 0.00 0.12 0.65 5.85 -0.58 -3.47 115.31 118.69 3hn3 h LEU 376 Ca 0.26 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3hn3 h LEU 376 Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3hn3 h LEU 376 CO -0.10 0.04 -0.04 0.61 -0.34 0.00 0.00 178.44 178.61 3hn3 n GLY 377 N -0.41 0.54 3.72 3.75 0.00 -0.81 -4.28 105.19 107.71 3hn3 n GLY 377 Ca -0.01 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3hn3 n GLY 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hn3 s ALA 378 N -2.09 3.37 -0.86 4.61 0.00 -0.58 -4.68 121.76 121.53 3hn3 s ALA 378 Ca 0.00 0.82 0.10 0.00 0.00 0.00 0.00 51.96 52.88 3hn3 s ALA 378 Cb 0.00 -3.40 0.27 0.00 0.00 0.00 0.00 23.12 19.99 3hn3 s ALA 378 CO 0.00 -0.33 1.21 0.27 0.00 0.00 0.00 175.76 176.91 3hn3 n ASN 379 N 3.19 2.79 -3.57 0.00 0.23 -0.65 -4.60 115.26 112.65 3hn3 n ASN 379 Ca 0.06 -1.97 -0.12 0.00 -0.53 0.00 0.00 54.58 52.02 3hn3 n ASN 379 Cb 0.46 -0.20 -0.05 0.00 -2.08 0.00 0.00 39.78 37.91 3hn3 n ASN 379 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hn3 s ALA 380 N -0.99 -1.90 0.07 -2.53 0.00 -1.26 -1.43 121.76 113.72 3hn3 s ALA 380 Ca 0.21 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 3hn3 s ALA 380 Cb 0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 3hn3 s ALA 380 CO 0.14 -0.32 0.17 -0.59 0.00 0.00 0.00 175.76 175.16 3hn3 s PHE 381 N -1.12 0.16 -0.11 0.00 -0.12 -0.34 -1.87 117.98 114.59 3hn3 s PHE 381 Ca -0.04 -0.55 -0.08 0.00 -0.05 0.00 0.00 56.93 56.21 3hn3 s PHE 381 Cb -0.00 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 3hn3 s PHE 381 CO 0.03 -0.49 0.18 0.50 -0.05 0.00 0.00 175.22 175.40 3hn3 s ARG 382 N -3.47 3.55 -1.58 1.99 3.52 -1.07 -1.74 118.95 120.14 3hn3 s ARG 382 Ca 0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.47 3hn3 s ARG 382 Cb 0.03 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 3hn3 s ARG 382 CO -0.09 0.74 2.80 0.25 -0.81 0.00 0.00 175.30 178.19 3hn3 n THR 383 N 2.04 4.21 -1.97 4.11 -2.24 -0.73 -3.57 114.28 116.13 3hn3 n THR 383 Ca -0.19 -2.76 -0.42 0.00 -2.27 0.00 0.00 64.05 58.42 3hn3 n THR 383 Cb 0.54 -2.59 -0.03 0.00 -2.10 0.00 0.00 70.33 66.15 3hn3 n THR 383 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hn3 s SER 384 N 2.27 6.62 -0.49 3.42 1.04 -1.26 -1.19 113.70 124.10 3hn3 s SER 384 Ca 0.65 2.61 0.07 0.00 0.48 0.00 0.00 55.95 59.75 3hn3 s SER 384 Cb 0.17 -2.60 0.37 0.00 0.10 0.00 0.00 66.02 64.06 3hn3 s SER 384 CO -0.07 -0.79 0.95 1.41 0.98 0.00 0.00 173.24 175.73 3hn3 n HIS 385 N 3.64 3.07 -3.64 5.02 -0.00 -1.26 -4.29 115.22 117.76 3hn3 n HIS 385 Ca 0.12 -3.68 -0.02 0.00 -0.00 0.00 0.00 57.72 54.14 3hn3 n HIS 385 Cb 0.39 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.99 29.98 3hn3 n HIS 385 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3hn3 s TYR 386 N -3.29 -0.04 0.48 4.41 -0.85 -0.33 -3.87 117.35 113.86 3hn3 s TYR 386 Ca 0.46 0.04 -0.23 0.00 -0.52 0.00 0.00 57.07 56.81 3hn3 s TYR 386 Cb 0.33 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 43.10 3hn3 s TYR 386 CO -0.13 -0.05 1.33 -2.14 -1.52 0.00 0.00 175.55 173.04 3hn3 s PRO 387 N -1.63 3.52 0.58 -3.49 0.02 -0.90 -4.69 135.00 128.41 3hn3 s PRO 387 Ca 0.10 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3hn3 s PRO 387 Cb -0.01 -2.46 0.04 0.00 0.02 0.00 0.00 34.50 32.09 3hn3 s PRO 387 CO -0.05 -0.87 0.81 0.71 -0.33 0.00 0.00 177.00 177.28 3hn3 s TYR 388 N -1.32 2.86 0.38 6.54 2.02 -1.26 -4.88 117.35 121.69 3hn3 s TYR 388 Ca 0.65 0.06 -0.24 0.00 -0.37 0.00 0.00 57.07 57.17 3hn3 s TYR 388 Cb -0.38 -2.83 -0.13 0.00 -0.40 0.00 0.00 41.96 38.22 3hn3 s TYR 388 CO 0.47 -0.96 0.76 0.00 -1.57 0.00 0.00 175.55 174.25 3hn3 n ALA 389 N -2.44 -0.92 -0.30 3.71 0.00 -1.26 -4.83 120.51 114.48 3hn3 n ALA 389 Ca 0.08 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.90 3hn3 n ALA 389 Cb 0.60 -1.89 0.38 0.00 0.00 0.00 0.00 19.45 18.54 3hn3 n ALA 389 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hn3 h GLU 390 N 1.23 0.66 -0.78 0.00 3.07 -1.96 -0.11 114.58 116.70 3hn3 h GLU 390 Ca -0.40 -0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.52 3hn3 h GLU 390 Cb 1.37 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 3hn3 h GLU 390 CO 0.55 0.44 0.51 0.93 -1.40 0.00 0.00 179.01 180.04 3hn3 h GLU 391 N 0.68 0.66 -0.74 2.33 3.07 -2.00 0.47 114.58 119.06 3hn3 h GLU 391 Ca 0.50 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.26 3hn3 h GLU 391 Cb 0.86 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 3hn3 h GLU 391 CO -0.26 0.44 0.22 0.28 -1.40 0.00 0.00 179.01 178.29 3hn3 h VAL 392 N 0.68 1.26 -0.34 3.13 2.07 -1.34 -2.21 116.25 119.51 3hn3 h VAL 392 Ca 0.36 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 3hn3 h VAL 392 Cb 0.48 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hn3 h VAL 392 CO -0.14 0.36 -0.29 0.24 0.02 0.00 0.00 177.57 177.76 3hn3 h MET 393 N 1.10 0.71 -0.69 1.57 2.86 -0.92 -1.60 114.93 117.97 3hn3 h MET 393 Ca 0.24 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3hn3 h MET 393 Cb 0.32 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3hn3 h MET 393 CO -0.01 0.92 0.27 1.96 1.06 0.00 0.00 176.91 181.11 3hn3 h GLN 394 N 0.61 1.02 -0.42 1.72 1.08 -0.90 -1.47 115.11 116.75 3hn3 h GLN 394 Ca 0.07 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 3hn3 h GLN 394 Cb 0.81 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 3hn3 h GLN 394 CO 0.07 0.83 0.08 0.52 -0.95 0.00 0.00 178.83 179.38 3hn3 h MET 395 N 1.00 0.68 -0.74 1.46 2.86 -1.06 -2.29 114.93 116.85 3hn3 h MET 395 Ca 0.23 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3hn3 h MET 395 Cb 0.20 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3hn3 h MET 395 CO -0.02 0.71 0.42 0.00 1.06 0.00 0.00 176.91 179.08 3hn3 h ASP 397 N 0.74 0.93 0.94 0.00 3.32 -0.86 -0.02 116.42 121.46 3hn3 h ASP 397 Ca 0.34 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3hn3 h ASP 397 Cb 0.25 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3hn3 h ASP 397 CO -0.21 0.73 -1.14 0.03 -1.72 0.00 0.00 179.24 176.94 3hn3 h ARG 398 N 1.05 0.00 0.00 3.56 3.08 -0.82 -3.35 114.38 117.90 3hn3 h ARG 398 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3hn3 h ARG 398 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hn3 h ARG 398 CO -0.05 0.49 -1.11 0.66 -1.07 0.00 0.00 179.97 178.89 3hn3 n TYR 399 N -3.08 0.05 -1.67 3.04 4.02 0.56 -4.82 117.16 115.26 3hn3 n TYR 399 Ca -0.06 0.01 -0.02 0.00 -0.01 0.00 0.00 57.90 57.82 3hn3 n TYR 399 Cb 0.86 -0.17 -0.00 0.00 -0.02 0.00 0.00 39.34 40.00 3hn3 n TYR 399 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hn3 n GLY 400 N 1.44 0.38 3.50 2.72 0.00 -0.05 -4.37 105.19 108.82 3hn3 n GLY 400 Ca 0.03 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 3hn3 n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hn3 s ILE 401 N -2.10 5.01 0.62 -0.61 -1.09 -1.05 -0.55 121.20 121.43 3hn3 s ILE 401 Ca 0.00 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.14 3hn3 s ILE 401 Cb 0.00 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3hn3 s ILE 401 CO 0.00 -0.44 1.06 0.68 -1.23 0.00 0.00 174.94 175.00 3hn3 s VAL 402 N 2.35 3.89 -0.04 2.92 -7.23 -0.51 -4.68 120.40 117.10 3hn3 s VAL 402 Ca 0.16 0.81 0.03 0.00 -1.81 0.00 0.00 61.98 61.17 3hn3 s VAL 402 Cb -0.16 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.39 3hn3 s VAL 402 CO 0.15 -0.60 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.52 3hn3 s VAL 403 N -2.62 1.08 -0.47 1.32 1.01 0.82 -1.20 120.40 120.34 3hn3 s VAL 403 Ca 0.62 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 3hn3 s VAL 403 Cb -0.15 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.34 3hn3 s VAL 403 CO 0.42 0.33 0.45 -0.63 0.00 0.00 0.00 175.10 175.66 3hn3 s ILE 404 N 0.21 5.14 -0.34 2.22 1.01 -0.71 -1.18 121.20 127.54 3hn3 s ILE 404 Ca -0.05 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 3hn3 s ILE 404 Cb -0.11 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3hn3 s ILE 404 CO 0.02 -0.61 0.76 -0.62 0.00 0.00 0.00 174.94 174.49 3hn3 s ASP 405 N 2.52 6.58 -0.08 3.58 -1.08 -0.29 -1.77 116.67 126.14 3hn3 s ASP 405 Ca 0.07 0.46 0.04 0.00 -0.52 0.00 0.00 52.55 52.60 3hn3 s ASP 405 Cb -0.22 -2.39 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 3hn3 s ASP 405 CO 0.09 -0.66 -0.19 -0.70 0.52 0.00 0.00 175.17 174.23 3hn3 s GLU 406 N 2.98 2.80 0.59 4.34 2.12 -1.26 -1.23 118.70 129.05 3hn3 s GLU 406 Ca 0.31 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 3hn3 s GLU 406 Cb -0.14 -2.36 0.02 0.00 0.26 0.00 0.00 34.13 31.91 3hn3 s GLU 406 CO 0.15 0.38 0.89 0.00 -0.54 0.00 0.00 175.26 176.14 3hn3 n PRO 408 N -2.58 0.42 -1.34 0.00 -0.02 -1.25 -4.24 135.00 125.99 3hn3 n PRO 408 Ca 0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 3hn3 n PRO 408 Cb 0.58 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3hn3 n PRO 408 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hn3 n GLY 409 N 0.70 4.27 3.29 -1.23 0.00 -1.26 -2.90 105.19 108.06 3hn3 n GLY 409 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 3hn3 n GLY 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hn3 s VAL 410 N 1.93 1.81 0.00 1.61 0.11 -1.26 -1.21 120.40 123.38 3hn3 s VAL 410 Ca 0.69 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3hn3 s VAL 410 Cb 0.19 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 3hn3 s VAL 410 CO -0.06 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 3hn3 n GLY 411 N 1.36 0.48 2.65 6.54 0.00 -1.26 -4.11 105.19 110.86 3hn3 n GLY 411 Ca -0.18 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3hn3 n GLY 411 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hn3 n LEU 412 N 0.00 7.29 0.04 0.99 4.77 -1.26 -4.56 117.00 124.27 3hn3 n LEU 412 Ca 0.00 -4.28 0.11 0.00 -0.03 0.00 0.00 56.01 51.81 3hn3 n LEU 412 Cb 0.00 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.39 3hn3 n LEU 412 CO 0.00 1.39 -0.43 0.00 -1.33 0.00 0.00 177.39 177.02 3hn3 n ALA 413 N 5.12 2.71 -2.68 -1.18 0.00 -1.26 -1.23 120.51 122.00 3hn3 n ALA 413 Ca 0.57 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 3hn3 n ALA 413 Cb 0.35 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 3hn3 n ALA 413 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hn3 s LEU 414 N -4.84 3.49 0.37 0.00 1.43 -1.26 -4.74 118.68 113.13 3hn3 s LEU 414 Ca -0.05 -0.00 0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3hn3 s LEU 414 Cb 0.12 -1.98 0.98 0.00 0.03 0.00 0.00 46.19 45.34 3hn3 s LEU 414 CO 0.86 0.29 1.80 -0.65 0.23 0.00 0.00 176.35 178.88 3hn3 h PRO 415 N 4.44 0.50 0.00 1.29 0.11 -1.97 -1.95 132.00 134.41 3hn3 h PRO 415 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hn3 h PRO 415 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hn3 h PRO 415 CO 0.57 0.33 0.00 -0.56 -0.21 0.00 0.00 178.00 178.13 3hn3 h GLN 416 N 0.52 0.00 0.00 1.05 3.07 -1.98 -2.06 115.11 115.70 3hn3 h GLN 416 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.29 3hn3 h GLN 416 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3hn3 h GLN 416 CO -0.29 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.82 3hn3 n PHE 417 N -2.73 0.00 -3.56 0.06 3.72 -0.73 -4.34 117.46 109.87 3hn3 n PHE 417 Ca -0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 3hn3 n PHE 417 Cb 0.17 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.20 3hn3 n PHE 417 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hn3 s PHE 418 N -2.92 3.96 0.29 1.38 0.08 -0.78 -4.77 117.98 115.22 3hn3 s PHE 418 Ca 0.15 -2.90 0.03 0.00 0.12 0.00 0.00 56.93 54.33 3hn3 s PHE 418 Cb 0.17 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 3hn3 s PHE 418 CO 0.47 -0.80 0.06 0.54 -0.10 0.00 0.00 175.22 175.38 3hn3 s ASN 419 N 0.33 1.92 0.40 1.36 2.20 -1.26 -4.94 114.94 114.95 3hn3 s ASN 419 Ca 0.27 -1.35 0.09 0.00 -0.94 0.00 0.00 52.86 50.93 3hn3 s ASN 419 Cb -0.09 0.01 0.83 0.00 -2.00 0.00 0.00 41.25 40.00 3hn3 s ASN 419 CO -0.11 -0.63 1.97 -1.13 -2.94 0.00 0.00 177.10 174.26 3hn3 h ASN 420 N 2.26 0.30 -0.15 3.54 -1.24 -1.97 -0.71 115.58 117.61 3hn3 h ASN 420 Ca -0.40 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 56.52 3hn3 h ASN 420 Cb 1.24 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.21 3hn3 h ASN 420 CO 0.66 0.36 -0.11 0.58 -1.29 0.00 0.00 177.43 177.63 3hn3 h VAL 421 N 0.33 1.33 -0.34 2.57 2.07 -1.97 -1.40 116.25 118.83 3hn3 h VAL 421 Ca 0.08 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 3hn3 h VAL 421 Cb 0.22 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3hn3 h VAL 421 CO 0.00 0.36 -0.05 0.28 0.02 0.00 0.00 177.57 178.18 3hn3 h SER 422 N -0.01 0.53 -0.06 0.57 0.02 -1.79 -2.33 113.55 110.48 3hn3 h SER 422 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3hn3 h SER 422 Cb 0.61 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3hn3 h SER 422 CO 0.03 0.64 0.01 0.25 -1.14 0.00 0.00 176.83 176.61 3hn3 h LEU 423 N 0.52 0.10 -0.75 5.07 5.85 -0.99 -0.52 115.31 124.59 3hn3 h LEU 423 Ca 0.10 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3hn3 h LEU 423 Cb 0.42 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3hn3 h LEU 423 CO 0.02 0.35 0.44 -0.74 -0.34 0.00 0.00 178.44 178.17 3hn3 h HIS 424 N -0.16 0.82 -0.53 1.25 2.76 -1.15 -1.09 115.15 117.04 3hn3 h HIS 424 Ca 0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3hn3 h HIS 424 Cb 0.30 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3hn3 h HIS 424 CO 0.02 0.41 0.24 1.25 -1.30 0.00 0.00 177.93 178.56 3hn3 h HIS 425 N 0.82 0.78 -0.85 5.26 -0.00 -1.20 -2.17 115.15 117.80 3hn3 h HIS 425 Ca 0.33 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 3hn3 h HIS 425 Cb 0.16 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 3hn3 h HIS 425 CO -0.05 0.62 0.44 1.25 -0.00 0.00 0.00 177.93 180.18 3hn3 h HIS 426 N 0.72 1.18 -0.73 5.26 6.17 -0.64 -1.15 115.15 125.96 3hn3 h HIS 426 Ca 0.18 -0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.19 3hn3 h HIS 426 Cb 0.14 -0.37 -0.03 0.00 2.52 0.00 0.00 27.41 29.67 3hn3 h HIS 426 CO -0.00 0.83 0.32 0.52 0.71 0.00 0.00 177.93 180.31 3hn3 h MET 427 N 1.19 1.07 -0.52 5.26 2.86 -0.93 -0.94 114.93 122.92 3hn3 h MET 427 Ca 0.30 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3hn3 h MET 427 Cb 0.07 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3hn3 h MET 427 CO -0.04 0.87 -0.06 1.96 1.06 0.00 0.00 176.91 180.69 3hn3 h GLN 428 N 1.04 0.96 -0.62 1.72 4.20 -0.88 -1.40 115.11 120.12 3hn3 h GLN 428 Ca 0.25 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3hn3 h GLN 428 Cb 0.17 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3hn3 h GLN 428 CO -0.02 1.00 0.38 0.28 -0.67 0.00 0.00 178.83 179.80 3hn3 h VAL 429 N 0.83 1.18 -0.62 -0.54 2.07 -1.01 -1.44 116.25 116.72 3hn3 h VAL 429 Ca 0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3hn3 h VAL 429 Cb 0.61 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3hn3 h VAL 429 CO 0.04 0.18 0.33 0.24 0.02 0.00 0.00 177.57 178.38 3hn3 h MET 430 N 0.84 0.85 -0.37 1.57 2.86 -0.98 -0.13 114.93 119.58 3hn3 h MET 430 Ca 0.22 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3hn3 h MET 430 Cb -0.03 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 3hn3 h MET 430 CO -0.04 0.63 0.18 0.93 1.06 0.00 0.00 176.91 179.66 3hn3 h GLU 431 N 0.86 0.36 -0.60 1.72 5.08 -0.61 -1.06 114.58 120.32 3hn3 h GLU 431 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hn3 h GLU 431 Cb 0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3hn3 h GLU 431 CO -0.04 0.24 0.33 0.93 -1.00 0.00 0.00 179.01 179.47 3hn3 h GLU 432 N 0.37 0.84 0.13 2.33 5.08 -0.60 0.12 114.58 122.86 3hn3 h GLU 432 Ca 0.16 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hn3 h GLU 432 Cb 0.07 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3hn3 h GLU 432 CO -0.11 0.64 -0.09 0.28 -1.00 0.00 0.00 179.01 178.73 3hn3 h VAL 433 N 0.82 0.81 -0.47 3.13 2.07 -0.82 -1.26 116.25 120.54 3hn3 h VAL 433 Ca 0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 3hn3 h VAL 433 Cb 0.04 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3hn3 h VAL 433 CO -0.03 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.29 3hn3 h VAL 434 N -0.22 1.22 -0.63 2.57 2.07 -1.10 -1.81 116.25 118.36 3hn3 h VAL 434 Ca -0.01 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.86 3hn3 h VAL 434 Cb 0.19 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3hn3 h VAL 434 CO 0.01 0.27 0.29 -0.09 0.02 0.00 0.00 177.57 178.06 3hn3 h ARG 435 N 0.62 0.50 -0.29 1.57 2.43 -0.81 0.13 114.38 118.54 3hn3 h ARG 435 Ca 0.15 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3hn3 h ARG 435 Cb 0.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hn3 h ARG 435 CO -0.01 0.33 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.62 3hn3 h ARG 436 N 0.52 0.55 -0.01 0.20 2.43 -0.94 -3.38 114.38 113.75 3hn3 h ARG 436 Ca 0.31 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hn3 h ARG 436 Cb 0.32 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3hn3 h ARG 436 CO -0.26 0.75 -0.01 -0.25 -1.51 0.00 0.00 179.97 178.70 3hn3 n ASP 437 N -4.50 1.86 0.10 -3.80 8.00 -0.71 -4.66 116.55 112.85 3hn3 n ASP 437 Ca -0.03 -1.43 0.20 0.00 0.71 0.00 0.00 54.79 54.24 3hn3 n ASP 437 Cb 0.32 0.02 0.74 0.00 -0.02 0.00 0.00 41.12 42.18 3hn3 n ASP 437 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3hn3 h LYS 438 N 2.05 0.00 -0.30 -1.24 2.10 -0.92 -2.23 116.57 116.03 3hn3 h LYS 438 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hn3 h LYS 438 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3hn3 h LYS 438 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3hn3 n ASN 439 N -3.66 3.11 -4.60 7.07 3.02 -1.26 -4.86 115.26 114.08 3hn3 n ASN 439 Ca 0.07 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.25 3hn3 n ASN 439 Cb 0.61 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 3hn3 n ASN 439 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hn3 s HIS 440 N -1.62 3.08 0.47 3.10 3.76 -0.84 -4.85 115.29 118.40 3hn3 s HIS 440 Ca 0.36 0.69 0.14 0.00 -0.15 0.00 0.00 55.06 56.11 3hn3 s HIS 440 Cb 0.22 -3.58 1.11 0.00 1.11 0.00 0.00 32.58 31.44 3hn3 s HIS 440 CO 0.31 -0.81 2.06 -1.00 -0.85 0.00 0.00 174.74 174.45 3hn3 h PRO 441 N 8.50 0.25 0.00 8.40 0.13 -1.90 -2.09 132.00 145.29 3hn3 h PRO 441 Ca -0.24 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 3hn3 h PRO 441 Cb 1.08 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3hn3 h PRO 441 CO 0.96 0.17 -0.20 0.00 -0.23 0.00 0.00 178.00 178.70 3hn3 h ALA 442 N 1.82 1.47 -2.08 -0.56 0.00 -1.88 -3.40 119.26 114.62 3hn3 h ALA 442 Ca 0.15 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 3hn3 h ALA 442 Cb 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hn3 h ALA 442 CO -0.03 0.25 0.96 0.08 0.00 0.00 0.00 179.25 180.51 3hn3 s VAL 443 N -4.37 4.13 -0.51 0.00 1.01 -0.79 -0.12 120.40 119.75 3hn3 s VAL 443 Ca -0.03 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.33 3hn3 s VAL 443 Cb 0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3hn3 s VAL 443 CO 0.66 -0.26 0.49 1.33 0.00 0.00 0.00 175.10 177.32 3hn3 n VAL 444 N 5.77 0.00 -3.64 2.92 0.24 -0.33 -4.89 118.33 118.41 3hn3 n VAL 444 Ca 0.15 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 3hn3 n VAL 444 Cb 0.45 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 3hn3 n VAL 444 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3hn3 s MET 445 N -0.87 0.55 -0.04 7.34 1.75 -1.22 -4.15 119.30 122.65 3hn3 s MET 445 Ca 0.05 0.65 -0.12 0.00 -1.25 0.00 0.00 55.69 55.02 3hn3 s MET 445 Cb 0.04 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.93 3hn3 s MET 445 CO 0.12 -0.07 0.31 -1.58 -0.65 0.00 0.00 175.02 173.16 3hn3 s TRP 446 N 0.24 3.68 -0.15 4.11 0.52 -0.68 -1.13 118.94 125.53 3hn3 s TRP 446 Ca 0.03 0.82 0.01 0.00 0.02 0.00 0.00 56.10 56.98 3hn3 s TRP 446 Cb -0.05 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 3hn3 s TRP 446 CO -0.05 0.68 -0.18 0.45 0.02 0.00 0.00 176.95 177.86 3hn3 s SER 447 N -1.08 3.39 0.00 2.95 0.15 -0.36 -1.08 113.70 117.67 3hn3 s SER 447 Ca 0.21 -0.54 0.24 0.00 0.70 0.00 0.00 55.95 56.56 3hn3 s SER 447 Cb -0.15 -1.51 0.35 0.00 -1.71 0.00 0.00 66.02 63.01 3hn3 s SER 447 CO 0.10 0.08 1.31 1.33 1.20 0.00 0.00 173.24 177.25 3hn3 n VAL 448 N 4.10 0.01 -3.63 4.45 0.24 -0.34 -1.91 118.33 121.24 3hn3 n VAL 448 Ca -0.20 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 3hn3 n VAL 448 Cb 0.52 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 33.25 3hn3 n VAL 448 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hn3 s ALA 449 N -3.01 -1.86 -0.07 2.33 0.00 -1.26 -4.29 121.76 113.61 3hn3 s ALA 449 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3hn3 s ALA 449 Cb 0.17 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.75 3hn3 s ALA 449 CO 0.73 -0.88 -0.04 1.21 0.00 0.00 0.00 175.76 176.78 3hn3 s ASN 450 N -2.72 1.44 -1.48 0.00 2.47 -0.35 -0.81 114.94 113.49 3hn3 s ASN 450 Ca 0.10 -0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.20 3hn3 s ASN 450 Cb -0.00 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.25 3hn3 s ASN 450 CO -0.03 -0.10 0.18 -0.62 -3.72 0.00 0.00 177.10 172.81 3hn3 n GLU 451 N 4.52 -1.76 -1.21 0.43 1.02 0.13 -4.03 120.64 119.74 3hn3 n GLU 451 Ca -0.17 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 3hn3 n GLU 451 Cb 0.50 -3.89 0.13 0.00 -0.02 0.00 0.00 31.44 28.16 3hn3 n GLU 451 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hn3 s PRO 452 N -7.07 1.52 -1.11 3.49 0.04 -1.26 -4.58 135.00 126.04 3hn3 s PRO 452 Ca 0.02 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 3hn3 s PRO 452 Cb -0.01 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 3hn3 s PRO 452 CO 0.96 -2.09 2.27 0.00 0.04 0.00 0.00 177.00 178.18 3hn3 n ALA 453 N -3.79 5.14 1.27 8.56 0.00 -0.36 -4.69 120.51 126.64 3hn3 n ALA 453 Ca 0.08 -2.83 0.11 0.00 0.00 0.00 0.00 53.44 50.79 3hn3 n ALA 453 Cb 0.55 -3.28 0.62 0.00 0.00 0.00 0.00 19.45 17.34 3hn3 n ALA 453 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hn3 n SER 454 N 5.00 0.00 0.17 0.00 3.41 -1.26 -1.87 113.62 119.06 3hn3 n SER 454 Ca 0.54 -0.49 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 3hn3 n SER 454 Cb 0.24 -0.09 0.51 0.00 -0.26 0.00 0.00 64.21 64.61 3hn3 n SER 454 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3hn3 h HIS 455 N 0.00 0.00 -3.53 7.33 2.07 -1.84 0.56 115.15 119.74 3hn3 h HIS 455 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 3hn3 h HIS 455 Cb 0.06 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.02 3hn3 h HIS 455 CO 0.00 0.00 0.27 -0.51 -3.07 0.00 0.00 177.93 174.62 3hn3 s LEU 456 N -5.01 4.51 0.37 6.12 1.43 -0.78 -4.76 118.68 120.55 3hn3 s LEU 456 Ca 0.05 1.68 0.05 0.00 -1.03 0.00 0.00 54.13 54.87 3hn3 s LEU 456 Cb 0.09 -3.44 0.72 0.00 0.03 0.00 0.00 46.19 43.60 3hn3 s LEU 456 CO 0.48 0.02 2.00 -0.33 0.23 0.00 0.00 176.35 178.75 3hn3 h GLU 457 N 5.31 0.74 -0.71 1.70 4.39 -1.90 -1.12 114.58 122.99 3hn3 h GLU 457 Ca -0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3hn3 h GLU 457 Cb 1.21 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 3hn3 h GLU 457 CO 0.70 0.49 0.46 0.66 -1.16 0.00 0.00 179.01 180.16 3hn3 h SER 458 N 0.76 0.82 -0.61 1.42 4.64 -1.95 -2.54 113.55 116.09 3hn3 h SER 458 Ca 0.24 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3hn3 h SER 458 Cb 0.04 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3hn3 h SER 458 CO -0.06 0.61 0.24 0.00 -0.87 0.00 0.00 176.83 176.74 3hn3 h ALA 459 N 1.25 0.79 -0.37 5.18 0.00 -1.52 -1.07 119.26 123.53 3hn3 h ALA 459 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hn3 h ALA 459 Cb -0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.39 3hn3 h ALA 459 CO -0.05 0.42 -0.07 0.78 0.00 0.00 0.00 179.25 180.32 3hn3 h GLY 460 N 0.85 0.29 0.94 0.00 0.00 -1.08 0.68 103.07 104.76 3hn3 h GLY 460 Ca 0.20 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 3hn3 h GLY 460 CO -0.02 -0.13 0.14 -1.82 0.00 0.00 0.00 176.54 174.71 3hn3 h TYR 461 N 0.02 0.67 -0.20 5.60 3.20 -1.25 -1.42 116.97 123.58 3hn3 h TYR 461 Ca 0.18 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hn3 h TYR 461 Cb 0.27 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3hn3 h TYR 461 CO -0.32 0.61 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.80 3hn3 h TYR 462 N 0.53 -0.21 -0.40 -3.82 5.03 -0.82 -1.81 116.97 115.48 3hn3 h TYR 462 Ca 0.14 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.35 3hn3 h TYR 462 Cb 0.25 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 3hn3 h TYR 462 CO 0.01 -0.14 -0.23 -0.07 -1.32 0.00 0.00 178.16 176.41 3hn3 h LEU 463 N -0.06 0.81 -0.53 2.82 3.38 -0.81 -1.88 115.31 119.04 3hn3 h LEU 463 Ca 0.11 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hn3 h LEU 463 Cb 0.22 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3hn3 h LEU 463 CO -0.24 1.01 0.12 0.50 0.09 0.00 0.00 178.44 179.91 3hn3 h LYS 464 N 0.69 0.26 -0.27 1.13 3.64 -0.91 -0.42 116.57 120.69 3hn3 h LYS 464 Ca 0.09 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3hn3 h LYS 464 Cb 0.74 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3hn3 h LYS 464 CO 0.06 0.17 -0.20 0.52 -2.27 0.00 0.00 179.45 177.73 3hn3 h MET 465 N 0.26 0.60 -0.69 1.90 2.86 -1.02 -0.79 114.93 118.05 3hn3 h MET 465 Ca 0.27 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3hn3 h MET 465 Cb 0.36 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3hn3 h MET 465 CO -0.33 0.88 0.22 0.28 1.06 0.00 0.00 176.91 179.02 3hn3 h VAL 466 N 0.33 1.25 -0.12 -2.22 2.07 -1.10 0.08 116.25 116.53 3hn3 h VAL 466 Ca 0.05 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3hn3 h VAL 466 Cb 0.74 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3hn3 h VAL 466 CO 0.05 0.33 0.03 0.40 0.02 0.00 0.00 177.57 178.40 3hn3 h ILE 467 N 1.02 1.20 -0.76 4.57 2.04 -0.98 -0.89 117.51 123.71 3hn3 h ILE 467 Ca 0.23 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3hn3 h ILE 467 Cb 0.27 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3hn3 h ILE 467 CO -0.01 0.19 0.46 0.00 0.00 0.00 0.00 178.15 178.78 3hn3 h ALA 468 N 0.82 1.03 -0.51 1.87 0.00 -0.93 -1.36 119.26 120.17 3hn3 h ALA 468 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hn3 h ALA 468 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hn3 h ALA 468 CO 0.00 0.19 0.25 1.25 0.00 0.00 0.00 179.25 180.94 3hn3 h HIS 469 N 0.86 0.73 -0.28 0.00 -0.00 -0.83 -1.51 115.15 114.12 3hn3 h HIS 469 Ca 0.33 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.68 3hn3 h HIS 469 Cb 0.14 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3hn3 h HIS 469 CO -0.05 0.57 0.16 1.15 -0.00 0.00 0.00 177.93 179.76 3hn3 h THR 470 N 0.68 1.02 -0.10 6.26 2.02 -0.60 -2.11 112.91 120.08 3hn3 h THR 470 Ca 0.18 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3hn3 h THR 470 Cb 0.11 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3hn3 h THR 470 CO -0.02 0.06 -0.03 0.11 0.37 0.00 0.00 175.52 176.01 3hn3 h LYS 471 N 0.32 0.14 0.00 6.66 1.57 -1.00 -0.89 116.57 123.38 3hn3 h LYS 471 Ca 0.11 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3hn3 h LYS 471 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hn3 h LYS 471 CO -0.05 0.19 -0.28 0.66 -0.57 0.00 0.00 179.45 179.39 3hn3 h SER 472 N 0.14 0.00 0.69 0.86 4.64 -0.62 -3.15 113.55 116.12 3hn3 h SER 472 Ca 0.03 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.10 3hn3 h SER 472 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 3hn3 h SER 472 CO 0.01 0.28 -1.43 -0.07 -0.87 0.00 0.00 176.83 174.75 3hn3 h LEU 473 N 0.00 0.00 -6.70 5.97 3.38 -0.79 -3.45 115.31 113.73 3hn3 h LEU 473 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 3hn3 h LEU 473 Cb 0.60 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.99 3hn3 h LEU 473 CO 0.04 0.99 -0.66 -0.62 0.09 0.00 0.00 178.44 178.27 3hn3 s ASP 474 N -6.31 1.90 0.00 -0.43 2.15 -0.67 -5.01 116.67 108.30 3hn3 s ASP 474 Ca -0.02 -0.61 0.21 0.00 0.43 0.00 0.00 52.55 52.55 3hn3 s ASP 474 Cb 0.09 0.27 0.97 0.00 -0.30 0.00 0.00 42.92 43.96 3hn3 s ASP 474 CO 0.82 -0.37 1.65 -0.81 -0.17 0.00 0.00 175.17 176.30 3hn3 n PRO 475 N 5.30 0.18 0.00 4.34 -0.04 -1.25 -4.10 135.00 139.44 3hn3 n PRO 475 Ca -0.04 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 3hn3 n PRO 475 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3hn3 n PRO 475 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hn3 n SER 476 N -1.37 1.54 -4.03 3.54 3.41 -1.26 -4.95 113.62 110.50 3hn3 n SER 476 Ca 0.08 -1.22 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 3hn3 n SER 476 Cb 0.19 0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 3hn3 n SER 476 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hn3 s ARG 477 N -2.64 0.45 0.76 4.33 0.52 -1.26 -4.58 118.95 116.54 3hn3 s ARG 477 Ca 0.16 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 3hn3 s ARG 477 Cb 0.18 -0.18 0.05 0.00 0.52 0.00 0.00 34.95 35.51 3hn3 s ARG 477 CO 0.65 0.02 1.08 -1.25 0.02 0.00 0.00 175.30 175.82 3hn3 s PRO 478 N -1.46 2.41 0.03 3.54 0.04 -1.26 -4.88 135.00 133.42 3hn3 s PRO 478 Ca -0.11 0.81 0.05 0.00 0.04 0.00 0.00 61.00 61.79 3hn3 s PRO 478 Cb -0.10 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3hn3 s PRO 478 CO -0.00 -1.44 -0.14 0.08 0.04 0.00 0.00 177.00 175.54 3hn3 s VAL 479 N -3.08 1.13 0.28 -0.36 1.01 -1.26 -1.68 120.40 116.44 3hn3 s VAL 479 Ca 0.60 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3hn3 s VAL 479 Cb -0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 3hn3 s VAL 479 CO 0.55 0.07 0.44 0.28 0.00 0.00 0.00 175.10 176.44 3hn3 s THR 480 N -0.74 0.00 0.06 3.92 -1.32 -0.24 -1.16 115.64 116.15 3hn3 s THR 480 Ca 0.03 -1.55 -0.00 0.00 -1.21 0.00 0.00 61.69 58.95 3hn3 s THR 480 Cb -0.07 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 3hn3 s THR 480 CO 0.01 0.00 -0.04 0.72 -2.21 0.00 0.00 174.62 173.10 3hn3 s PHE 481 N -3.60 0.58 -0.21 9.09 -0.71 -1.26 -1.20 117.98 120.67 3hn3 s PHE 481 Ca 0.28 -0.95 -0.13 0.00 -1.04 0.00 0.00 56.93 55.08 3hn3 s PHE 481 Cb 0.00 -0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 41.37 3hn3 s PHE 481 CO 0.14 -0.30 0.27 0.08 -1.34 0.00 0.00 175.22 174.07 3hn3 s VAL 482 N -3.49 5.30 0.04 -2.49 1.01 0.01 -4.09 120.40 116.68 3hn3 s VAL 482 Ca 0.05 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3hn3 s VAL 482 Cb 0.05 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3hn3 s VAL 482 CO -0.07 0.33 -0.21 -0.55 0.00 0.00 0.00 175.10 174.59 3hn3 s SER 483 N 0.89 3.56 -0.14 3.32 0.15 0.15 0.20 113.70 121.84 3hn3 s SER 483 Ca 0.13 -0.49 0.18 0.00 0.70 0.00 0.00 55.95 56.47 3hn3 s SER 483 Cb -0.14 -0.48 0.31 0.00 -1.71 0.00 0.00 66.02 63.99 3hn3 s SER 483 CO 0.05 0.26 1.16 -0.46 1.20 0.00 0.00 173.24 175.45 3hn3 n ASN 484 N 1.63 2.35 -4.84 5.45 6.94 -1.26 -1.19 115.26 124.34 3hn3 n ASN 484 Ca -0.16 -3.14 -0.31 0.00 -0.02 0.00 0.00 54.58 50.94 3hn3 n ASN 484 Cb 0.52 -0.44 0.04 0.00 -2.36 0.00 0.00 39.78 37.54 3hn3 n ASN 484 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3hn3 s SER 485 N -2.88 5.58 0.29 0.53 0.01 -1.26 -5.00 113.70 110.97 3hn3 s SER 485 Ca 0.33 1.50 -0.30 0.00 1.31 0.00 0.00 55.95 58.79 3hn3 s SER 485 Cb 0.29 -2.42 -0.11 0.00 0.21 0.00 0.00 66.02 63.99 3hn3 s SER 485 CO 0.02 -1.30 1.47 0.21 0.41 0.00 0.00 173.24 174.06 3hn3 s ASN 486 N -3.96 6.55 0.34 2.44 3.84 -1.26 -4.90 114.94 118.00 3hn3 s ASN 486 Ca 0.57 2.80 0.05 0.00 0.21 0.00 0.00 52.86 56.49 3hn3 s ASN 486 Cb -0.13 -2.64 0.70 0.00 -0.55 0.00 0.00 41.25 38.64 3hn3 s ASN 486 CO 0.54 -0.76 1.91 0.10 -2.79 0.00 0.00 177.10 176.10 3hn3 h TYR 487 N 4.54 0.87 0.00 0.43 -0.00 -1.97 -1.19 116.97 119.65 3hn3 h TYR 487 Ca -0.47 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.25 3hn3 h TYR 487 Cb 1.22 -0.28 -0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3hn3 h TYR 487 CO 0.58 0.41 -0.14 0.00 -0.00 0.00 0.00 178.16 179.02 3hn3 h ALA 488 N 1.57 0.94 0.00 0.10 0.00 -1.95 -3.31 119.26 116.62 3hn3 h ALA 488 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hn3 h ALA 488 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hn3 h ALA 488 CO -0.15 0.17 -1.68 0.00 0.00 0.00 0.00 179.25 177.59 3hn3 n ALA 489 N -2.14 2.95 -1.81 0.00 0.00 -0.55 -4.94 120.51 114.02 3hn3 n ALA 489 Ca 0.02 -0.45 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 3hn3 n ALA 489 Cb 0.51 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3hn3 n ALA 489 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hn3 s ASP 490 N -3.89 5.14 0.09 0.00 -1.08 -0.64 -4.23 116.67 112.06 3hn3 s ASP 490 Ca -0.05 1.01 0.27 0.00 -0.52 0.00 0.00 52.55 53.26 3hn3 s ASP 490 Cb 0.12 -2.52 1.03 0.00 -1.46 0.00 0.00 42.92 40.10 3hn3 s ASP 490 CO 0.76 -2.36 1.84 0.29 0.52 0.00 0.00 175.17 176.22 3hn3 n LYS 491 N 8.91 0.11 0.10 4.34 4.76 0.19 -3.32 118.16 133.25 3hn3 n LYS 491 Ca 0.28 0.11 0.08 0.00 -2.87 0.00 0.00 58.31 55.91 3hn3 n LYS 491 Cb 0.51 -1.63 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3hn3 n LYS 491 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3hn3 h GLY 492 N 4.56 0.00 1.79 0.72 0.00 -1.85 -3.40 103.07 104.89 3hn3 h GLY 492 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hn3 h GLY 492 CO 0.00 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.59 3hn3 h ALA 493 N 1.84 1.73 -0.01 3.60 0.00 -1.92 -1.20 119.26 123.30 3hn3 h ALA 493 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hn3 h ALA 493 Cb 1.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hn3 h ALA 493 CO 0.01 0.22 0.02 -1.35 0.00 0.00 0.00 179.25 178.14 3hn3 h PRO 494 N 0.28 0.00 0.00 0.00 0.11 -1.80 -3.16 132.00 127.42 3hn3 h PRO 494 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3hn3 h PRO 494 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3hn3 h PRO 494 CO -0.00 0.00 -0.81 0.66 -0.21 0.00 0.00 178.00 177.63 3hn3 n TYR 495 N -3.64 0.01 -2.84 0.65 4.01 -0.45 -4.94 117.16 109.95 3hn3 n TYR 495 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 3hn3 n TYR 495 Cb 0.10 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 3hn3 n TYR 495 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hn3 s VAL 496 N -3.01 4.75 0.01 -0.72 -7.23 -1.20 -4.97 120.40 108.03 3hn3 s VAL 496 Ca 0.09 0.72 0.04 0.00 -1.81 0.00 0.00 61.98 61.02 3hn3 s VAL 496 Cb 0.16 -3.72 -0.24 0.00 0.56 0.00 0.00 36.38 33.15 3hn3 s VAL 496 CO 0.80 -0.50 0.89 0.44 -0.31 0.00 0.00 175.10 176.42 3hn3 h ASP 497 N 1.35 0.17 -3.66 4.85 3.32 -1.49 -3.45 116.42 117.49 3hn3 h ASP 497 Ca -0.47 -0.25 -0.39 0.00 0.02 0.00 0.00 57.03 55.94 3hn3 h ASP 497 Cb 1.19 -0.05 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 3hn3 h ASP 497 CO 0.64 1.21 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.90 3hn3 s VAL 498 N -2.63 0.58 -0.19 -1.35 1.01 -1.26 -4.52 120.40 112.04 3hn3 s VAL 498 Ca -0.06 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3hn3 s VAL 498 Cb 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3hn3 s VAL 498 CO 0.83 0.21 0.71 -0.63 0.00 0.00 0.00 175.10 176.21 3hn3 s ILE 499 N 0.47 4.97 -0.20 2.22 1.01 -0.39 -4.61 121.20 124.67 3hn3 s ILE 499 Ca -0.06 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 3hn3 s ILE 499 Cb -0.10 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 3hn3 s ILE 499 CO 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 174.94 174.93 3hn3 s LEU 501 N 1.33 2.37 -0.17 0.00 1.43 -0.35 -0.67 118.68 122.62 3hn3 s LEU 501 Ca 0.04 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3hn3 s LEU 501 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3hn3 s LEU 501 CO -0.05 0.26 -0.01 0.20 0.23 0.00 0.00 176.35 176.98 3hn3 s ASN 502 N -0.26 4.95 -0.01 2.29 0.01 -0.33 -0.89 114.94 120.70 3hn3 s ASN 502 Ca 0.00 -0.11 -0.16 0.00 -0.71 0.00 0.00 52.86 51.88 3hn3 s ASN 502 Cb -0.13 -1.82 0.03 0.00 0.41 0.00 0.00 41.25 39.74 3hn3 s ASN 502 CO 0.03 0.15 0.35 -0.55 -1.51 0.00 0.00 177.10 175.57 3hn3 s SER 503 N 0.48 -0.23 -0.38 -1.22 0.15 -0.96 -4.66 113.70 106.88 3hn3 s SER 503 Ca -0.02 0.10 0.11 0.00 0.70 0.00 0.00 55.95 56.85 3hn3 s SER 503 Cb -0.14 0.35 0.33 0.00 -1.71 0.00 0.00 66.02 64.85 3hn3 s SER 503 CO 0.02 -0.50 0.71 -1.22 1.20 0.00 0.00 173.24 173.45 3hn3 n TYR 504 N 1.09 0.01 -1.78 3.44 4.02 -1.26 -4.07 117.16 118.62 3hn3 n TYR 504 Ca -0.21 -3.73 -0.41 0.00 -0.01 0.00 0.00 57.90 53.54 3hn3 n TYR 504 Cb 0.57 -0.35 -0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3hn3 n TYR 504 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hn3 s TYR 505 N -2.17 2.60 0.00 -0.72 2.02 -1.26 -1.32 117.35 116.49 3hn3 s TYR 505 Ca 0.39 1.07 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 3hn3 s TYR 505 Cb 0.32 -4.05 0.00 0.00 -0.40 0.00 0.00 41.96 37.83 3hn3 s TYR 505 CO -0.08 -3.20 0.00 -1.13 -1.57 0.00 0.00 175.55 169.57 3hn3 n SER 506 N 0.83 0.00 -0.05 2.29 3.41 -1.01 -4.79 113.62 114.31 3hn3 n SER 506 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 3hn3 n SER 506 Cb 0.39 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3hn3 n SER 506 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3hn3 n TRP 507 N -2.00 0.00 1.27 7.33 -0.00 -0.44 -1.62 117.44 121.99 3hn3 n TRP 507 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.64 3hn3 n TRP 507 Cb 0.00 -0.35 0.53 0.00 -0.00 0.00 0.00 31.31 31.49 3hn3 n TRP 507 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3hn3 n TYR 508 N -4.13 0.00 -3.57 5.87 4.01 -0.69 -4.77 117.16 113.88 3hn3 n TYR 508 Ca -0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 3hn3 n TYR 508 Cb 0.36 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 3hn3 n TYR 508 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3hn3 s HIS 509 N -2.62 -0.31 -1.23 -0.72 -3.43 -1.26 -4.97 115.29 100.74 3hn3 s HIS 509 Ca 0.24 0.03 -0.13 0.00 -0.80 0.00 0.00 55.06 54.40 3hn3 s HIS 509 Cb 0.19 0.39 -0.00 0.00 -1.43 0.00 0.00 32.58 31.73 3hn3 s HIS 509 CO 0.52 -0.79 0.67 -0.25 -2.00 0.00 0.00 174.74 172.89 3hn3 n ASP 510 N -0.30 -3.45 -4.68 7.38 8.00 -1.26 -2.39 116.55 119.85 3hn3 n ASP 510 Ca -0.15 -1.00 -0.49 0.00 0.71 0.00 0.00 54.79 53.85 3hn3 n ASP 510 Cb 0.64 -3.30 -0.05 0.00 -0.02 0.00 0.00 41.12 38.39 3hn3 n ASP 510 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hn3 n TYR 511 N -4.28 2.29 -0.09 1.24 4.01 -1.26 -1.26 117.16 117.81 3hn3 n TYR 511 Ca -0.18 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3hn3 n TYR 511 Cb 0.63 -2.63 0.00 0.00 -0.31 0.00 0.00 39.34 37.02 3hn3 n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hn3 n GLY 512 N 4.28 0.93 3.04 2.72 0.00 -0.64 -4.99 105.19 110.53 3hn3 n GLY 512 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3hn3 n GLY 512 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hn3 n HIS 513 N -2.00 3.67 0.21 1.61 8.25 -0.39 -4.75 115.22 121.83 3hn3 n HIS 513 Ca 0.00 -2.96 0.16 0.00 -0.26 0.00 0.00 57.72 54.66 3hn3 n HIS 513 Cb 0.00 -2.19 0.81 0.00 1.12 0.00 0.00 29.99 29.73 3hn3 n HIS 513 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hn3 h LEU 514 N 9.15 0.00 -0.48 2.41 3.38 -1.89 -2.05 115.31 125.83 3hn3 h LEU 514 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3hn3 h LEU 514 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hn3 h LEU 514 CO 1.58 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 178.27 3hn3 n GLU 515 N -3.98 0.14 0.03 1.13 0.00 -1.26 -2.78 120.64 113.91 3hn3 n GLU 515 Ca 0.01 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.65 3hn3 n GLU 515 Cb 0.26 -1.76 0.08 0.00 0.00 0.00 0.00 31.44 30.02 3hn3 n GLU 515 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hn3 n LEU 516 N -2.02 0.63 0.23 -1.84 4.77 -0.77 -4.62 117.00 113.38 3hn3 n LEU 516 Ca 0.03 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 3hn3 n LEU 516 Cb 0.21 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3hn3 n LEU 516 CO 0.18 0.04 0.70 0.40 -1.33 0.00 0.00 177.39 177.37 3hn3 h ILE 517 N 0.00 0.62 -0.59 -0.08 2.04 -1.67 -1.28 117.51 116.54 3hn3 h ILE 517 Ca 0.00 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3hn3 h ILE 517 Cb 0.69 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3hn3 h ILE 517 CO 0.00 0.03 0.23 1.56 0.00 0.00 0.00 178.15 179.97 3hn3 h GLN 518 N -0.60 0.42 0.08 2.37 4.20 -1.81 -0.06 115.11 119.70 3hn3 h GLN 518 Ca -0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hn3 h GLN 518 Cb 0.45 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3hn3 h GLN 518 CO 0.09 0.27 -0.04 1.25 -0.67 0.00 0.00 178.83 179.73 3hn3 h LEU 519 N 0.43 -0.09 -0.92 1.46 5.85 -1.81 -0.48 115.31 119.74 3hn3 h LEU 519 Ca 0.29 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 3hn3 h LEU 519 Cb 0.32 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hn3 h LEU 519 CO -0.27 0.02 -0.49 1.56 -0.34 0.00 0.00 178.44 178.92 3hn3 h GLN 520 N -0.20 0.13 -0.33 1.25 4.20 -0.90 -1.87 115.11 117.38 3hn3 h GLN 520 Ca -0.01 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 3hn3 h GLN 520 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3hn3 h GLN 520 CO 0.02 0.59 -0.44 1.25 -0.67 0.00 0.00 178.83 179.58 3hn3 h LEU 521 N 0.10 0.93 -0.31 1.46 5.85 -0.90 -0.88 115.31 121.56 3hn3 h LEU 521 Ca 0.00 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.30 3hn3 h LEU 521 Cb 0.90 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3hn3 h LEU 521 CO 0.07 1.23 0.15 0.00 -0.34 0.00 0.00 178.44 179.55 3hn3 h ALA 522 N 0.80 0.38 -0.55 1.25 0.00 -0.82 -1.90 119.26 118.42 3hn3 h ALA 522 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hn3 h ALA 522 Cb 1.03 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3hn3 h ALA 522 CO 0.10 -0.24 0.36 1.15 0.00 0.00 0.00 179.25 180.62 3hn3 h THR 523 N 0.31 1.12 0.06 0.00 2.02 -1.27 -1.35 112.91 113.80 3hn3 h THR 523 Ca 0.13 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hn3 h THR 523 Cb 0.05 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3hn3 h THR 523 CO -0.10 0.13 -0.24 -0.61 0.37 0.00 0.00 175.52 175.07 3hn3 h GLN 524 N 0.72 -0.40 -0.46 6.66 4.15 -0.91 -0.44 115.11 124.44 3hn3 h GLN 524 Ca 0.20 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 3hn3 h GLN 524 Cb -0.06 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3hn3 h GLN 524 CO -0.06 -0.26 0.11 0.74 -1.93 0.00 0.00 178.83 177.43 3hn3 h PHE 525 N -0.41 0.77 -0.31 3.99 0.04 -1.23 -1.50 116.94 118.29 3hn3 h PHE 525 Ca 0.04 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3hn3 h PHE 525 Cb 0.46 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3hn3 h PHE 525 CO -0.25 0.71 0.19 1.49 -0.60 0.00 0.00 178.31 179.85 3hn3 h GLU 526 N 0.61 0.42 -0.17 1.51 4.81 -1.13 -1.14 114.58 119.48 3hn3 h GLU 526 Ca 0.14 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3hn3 h GLU 526 Cb 0.33 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3hn3 h GLU 526 CO 0.00 0.32 0.03 -0.91 -0.73 0.00 0.00 179.01 177.72 3hn3 h ASN 527 N 0.40 0.27 -0.23 1.04 2.35 -0.99 -1.83 115.58 116.61 3hn3 h ASN 527 Ca 0.11 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3hn3 h ASN 527 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3hn3 h ASN 527 CO -0.02 0.45 0.09 -0.50 -1.65 0.00 0.00 177.43 175.81 3hn3 h TRP 528 N 0.08 0.34 -0.10 1.19 4.06 -1.22 -2.64 115.95 117.65 3hn3 h TRP 528 Ca 0.05 -0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.81 3hn3 h TRP 528 Cb 0.29 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3hn3 h TRP 528 CO 0.02 0.37 -0.64 -0.92 -3.56 0.00 0.00 178.44 173.70 3hn3 h TYR 529 N 0.22 0.50 -0.66 0.49 3.20 -1.23 -1.60 116.97 117.89 3hn3 h TYR 529 Ca 0.08 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.77 3hn3 h TYR 529 Cb 0.17 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3hn3 h TYR 529 CO -0.01 0.92 0.42 -0.22 -1.64 0.00 0.00 178.16 177.63 3hn3 h LYS 530 N 0.28 0.81 -0.06 1.82 3.64 -1.30 -0.68 116.57 121.08 3hn3 h LYS 530 Ca -0.01 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 3hn3 h LYS 530 Cb 1.18 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3hn3 h LYS 530 CO 0.11 0.54 -0.93 -0.22 -2.27 0.00 0.00 179.45 176.68 3hn3 h LYS 531 N 0.84 0.73 0.00 1.90 3.64 -1.22 -3.40 116.57 119.06 3hn3 h LYS 531 Ca 0.26 -0.71 -0.15 0.00 -1.27 0.00 0.00 60.65 58.77 3hn3 h LYS 531 Cb -0.02 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3hn3 h LYS 531 CO -0.09 1.30 -1.60 0.66 -2.27 0.00 0.00 179.45 177.46 3hn3 n TYR 532 N -3.90 0.00 -3.68 1.91 4.01 -0.62 -5.04 117.16 109.84 3hn3 n TYR 532 Ca -0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 3hn3 n TYR 532 Cb 0.83 -0.42 0.05 0.00 -0.31 0.00 0.00 39.34 39.48 3hn3 n TYR 532 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3hn3 n GLN 533 N -2.30 -5.89 -4.14 -0.72 6.02 -0.27 -5.01 117.38 105.08 3hn3 n GLN 533 Ca -0.14 0.70 -0.16 0.00 -0.01 0.00 0.00 57.00 57.39 3hn3 n GLN 533 Cb 0.76 -5.50 -0.11 0.00 1.02 0.00 0.00 30.24 26.40 3hn3 n GLN 533 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hn3 s LYS 534 N -6.05 0.74 0.57 -1.09 1.02 -1.25 -4.68 119.74 109.01 3hn3 s LYS 534 Ca 0.24 -0.95 -0.21 0.00 0.02 0.00 0.00 55.97 55.07 3hn3 s LYS 534 Cb -0.12 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3hn3 s LYS 534 CO 0.79 0.12 1.31 -2.30 -0.92 0.00 0.00 175.35 174.35 3hn3 n PRO 535 N 1.15 1.51 -5.20 -1.68 -0.02 -1.20 -4.71 135.00 124.85 3hn3 n PRO 535 Ca -0.20 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 3hn3 n PRO 535 Cb 0.55 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 3hn3 n PRO 535 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hn3 s ILE 536 N -1.32 1.93 -0.12 4.25 1.01 -0.67 -1.26 121.20 125.02 3hn3 s ILE 536 Ca 0.74 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3hn3 s ILE 536 Cb -0.41 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3hn3 s ILE 536 CO 0.47 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 175.17 3hn3 s ILE 537 N -0.33 2.81 -0.83 2.92 1.01 0.26 -0.45 121.20 126.59 3hn3 s ILE 537 Ca 0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3hn3 s ILE 537 Cb -0.12 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.24 3hn3 s ILE 537 CO 0.01 0.54 1.30 -1.58 0.00 0.00 0.00 174.94 175.21 3hn3 s GLN 538 N 0.28 3.33 0.26 2.79 2.00 -0.42 -1.21 119.66 126.68 3hn3 s GLN 538 Ca -0.11 -0.63 0.23 0.00 -2.00 0.00 0.00 55.36 52.85 3hn3 s GLN 538 Cb -0.16 -4.59 0.27 0.00 0.80 0.00 0.00 33.01 29.34 3hn3 s GLN 538 CO 0.06 -2.12 1.36 0.66 -0.50 0.00 0.00 175.29 174.75 3hn3 h SER 539 N 9.87 0.00 -4.03 6.67 4.64 -1.26 0.11 113.55 129.55 3hn3 h SER 539 Ca -0.11 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.04 3hn3 h SER 539 Cb 1.04 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.89 3hn3 h SER 539 CO 1.31 0.02 -0.26 -1.61 -0.87 0.00 0.00 176.83 175.43 3hn3 s GLU 540 N -3.24 0.49 0.00 4.77 2.02 -1.21 -4.49 118.70 117.04 3hn3 s GLU 540 Ca 0.05 0.45 -0.28 0.00 0.02 0.00 0.00 54.97 55.20 3hn3 s GLU 540 Cb 0.09 0.23 0.09 0.00 0.10 0.00 0.00 34.13 34.65 3hn3 s GLU 540 CO 0.72 -0.07 0.81 1.52 0.02 0.00 0.00 175.26 178.25 3hn3 s TYR 541 N -0.00 -0.44 -4.55 1.61 1.13 -1.25 -2.26 117.35 111.58 3hn3 s TYR 541 Ca -0.02 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.07 3hn3 s TYR 541 Cb -0.03 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 3hn3 s TYR 541 CO 0.01 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 172.87 3hn3 n GLY 542 N 0.03 -2.10 3.10 5.49 0.00 -1.26 -0.96 105.19 109.49 3hn3 n GLY 542 Ca -0.12 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 3hn3 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hn3 s ALA 543 N -1.51 -0.61 0.24 4.61 0.00 -1.26 -4.89 121.76 118.34 3hn3 s ALA 543 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3hn3 s ALA 543 Cb 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.46 3hn3 s ALA 543 CO 0.00 -0.17 1.53 -1.21 0.00 0.00 0.00 175.76 175.91 3hn3 s GLU 544 N 0.80 4.20 -0.18 0.00 0.41 -1.26 -4.23 118.70 118.44 3hn3 s GLU 544 Ca -0.05 2.42 -0.04 0.00 -0.41 0.00 0.00 54.97 56.88 3hn3 s GLU 544 Cb -0.07 -3.09 0.09 0.00 -1.78 0.00 0.00 34.13 29.28 3hn3 s GLU 544 CO -0.05 -0.54 0.24 0.99 -0.49 0.00 0.00 175.26 175.41 3hn3 s THR 545 N 0.31 -0.37 -0.28 3.63 2.01 -0.38 -3.19 115.64 117.36 3hn3 s THR 545 Ca 0.64 -0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 3hn3 s THR 545 Cb -0.44 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 3hn3 s THR 545 CO 0.41 -0.11 0.65 -0.63 -0.69 0.00 0.00 174.62 174.26 3hn3 s ILE 546 N 2.37 4.94 0.22 1.82 -1.09 -0.69 -4.76 121.20 124.01 3hn3 s ILE 546 Ca 0.06 1.04 -0.32 0.00 -2.23 0.00 0.00 60.65 59.20 3hn3 s ILE 546 Cb -0.15 -3.99 -0.13 0.00 -1.58 0.00 0.00 42.46 36.61 3hn3 s ILE 546 CO -0.11 -0.08 1.47 0.00 -1.23 0.00 0.00 174.94 174.99 3hn3 n ALA 547 N 5.85 1.32 0.00 9.38 0.00 -1.26 -1.75 120.51 134.05 3hn3 n ALA 547 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3hn3 n ALA 547 Cb 0.49 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3hn3 n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hn3 n GLY 548 N 2.48 1.21 3.69 0.00 0.00 -1.26 -5.03 105.19 106.28 3hn3 n GLY 548 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3hn3 n GLY 548 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hn3 s PHE 549 N -2.34 3.52 0.02 1.61 0.08 -0.71 -5.01 117.98 115.15 3hn3 s PHE 549 Ca 0.00 1.56 0.03 0.00 0.12 0.00 0.00 56.93 58.64 3hn3 s PHE 549 Cb 0.00 -3.15 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 3hn3 s PHE 549 CO 0.00 -0.19 -0.09 -1.01 -0.10 0.00 0.00 175.22 173.83 3hn3 s HIS 550 N 1.87 0.78 -0.19 0.36 3.76 -1.26 -1.38 115.29 119.22 3hn3 s HIS 550 Ca 0.47 -0.30 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 3hn3 s HIS 550 Cb -0.18 -0.48 0.09 0.00 1.11 0.00 0.00 32.58 33.12 3hn3 s HIS 550 CO 0.18 -0.02 0.82 -1.14 -0.85 0.00 0.00 174.74 173.74 3hn3 s GLN 551 N -0.86 0.79 -0.07 1.40 0.74 -1.26 -5.02 119.66 115.38 3hn3 s GLN 551 Ca -0.02 0.56 0.02 0.00 0.05 0.00 0.00 55.36 55.97 3hn3 s GLN 551 Cb -0.06 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.44 3hn3 s GLN 551 CO 0.00 -0.17 -0.12 0.34 -0.55 0.00 0.00 175.29 174.79 3hn3 s ASP 552 N -0.35 1.80 0.83 6.67 2.15 -1.26 -3.59 116.67 122.92 3hn3 s ASP 552 Ca -0.03 -0.30 -0.12 0.00 0.43 0.00 0.00 52.55 52.53 3hn3 s ASP 552 Cb -0.03 -0.83 0.10 0.00 -0.30 0.00 0.00 42.92 41.86 3hn3 s ASP 552 CO 0.02 0.03 1.18 -2.84 -0.17 0.00 0.00 175.17 173.39 3hn3 s PRO 553 N 0.71 1.50 0.36 4.34 0.02 -1.26 -5.09 135.00 135.59 3hn3 s PRO 553 Ca -0.14 1.66 -0.27 0.00 0.02 0.00 0.00 61.00 62.27 3hn3 s PRO 553 Cb -0.16 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 3hn3 s PRO 553 CO 0.03 -2.29 1.21 -1.25 -0.33 0.00 0.00 177.00 174.37 3hn3 s PRO 554 N -4.33 4.23 0.13 5.54 0.04 -1.24 -5.05 135.00 134.33 3hn3 s PRO 554 Ca 0.70 1.98 0.09 0.00 0.04 0.00 0.00 61.00 63.82 3hn3 s PRO 554 Cb -0.26 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3hn3 s PRO 554 CO 0.53 -0.21 -0.23 -0.51 0.04 0.00 0.00 177.00 176.62 3hn3 s LEU 555 N -2.10 2.35 0.22 -3.56 1.43 -1.26 -4.92 118.68 110.84 3hn3 s LEU 555 Ca 0.52 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3hn3 s LEU 555 Cb -0.34 -1.00 -0.16 0.00 0.03 0.00 0.00 46.19 44.72 3hn3 s LEU 555 CO 0.44 0.08 0.90 0.23 0.23 0.00 0.00 176.35 178.23 3hn3 n MET 556 N 0.80 0.83 -0.06 1.70 2.81 -1.26 -1.92 117.12 120.03 3hn3 n MET 556 Ca -0.17 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3hn3 n MET 556 Cb 0.54 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 3hn3 n MET 556 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3hn3 n PHE 557 N 0.50 0.00 -2.63 2.03 3.72 -1.19 -5.05 117.46 114.83 3hn3 n PHE 557 Ca 0.14 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.26 3hn3 n PHE 557 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 3hn3 n PHE 557 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hn3 s THR 558 N -2.67 4.87 0.39 4.37 -4.23 -0.81 -1.71 115.64 115.86 3hn3 s THR 558 Ca 0.00 0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.98 3hn3 s THR 558 Cb 0.00 -3.84 0.13 0.00 1.34 0.00 0.00 72.50 70.13 3hn3 s THR 558 CO 0.00 -0.80 1.88 -0.33 -0.54 0.00 0.00 174.62 174.83 3hn3 h GLU 559 N 0.41 0.00 -0.30 3.99 5.08 -1.48 -2.49 114.58 119.80 3hn3 h GLU 559 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 3hn3 h GLU 559 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3hn3 h GLU 559 CO 0.62 0.31 -0.34 0.93 -1.00 0.00 0.00 179.01 179.53 3hn3 h GLU 560 N 0.00 0.66 -0.40 2.33 3.07 -1.86 -1.53 114.58 116.85 3hn3 h GLU 560 Ca -0.00 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.40 3hn3 h GLU 560 Cb 0.56 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3hn3 h GLU 560 CO 0.04 0.91 -0.30 -0.92 -1.40 0.00 0.00 179.01 177.33 3hn3 h TYR 561 N 0.55 1.08 -0.26 4.33 5.03 -1.71 -1.42 116.97 124.58 3hn3 h TYR 561 Ca 0.06 -0.30 0.01 0.00 2.58 0.00 0.00 58.73 61.07 3hn3 h TYR 561 Cb 0.85 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 3hn3 h TYR 561 CO 0.04 1.12 0.16 0.37 -1.32 0.00 0.00 178.16 178.52 3hn3 h GLN 562 N 0.74 0.32 -0.46 1.82 4.15 -1.18 -0.15 115.11 120.35 3hn3 h GLN 562 Ca 0.08 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.54 3hn3 h GLN 562 Cb 0.89 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 3hn3 h GLN 562 CO 0.08 0.21 0.16 0.87 -1.93 0.00 0.00 178.83 178.22 3hn3 h LYS 563 N 0.33 0.32 -0.23 1.69 1.57 -1.16 -1.17 116.57 117.91 3hn3 h LYS 563 Ca 0.10 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3hn3 h LYS 563 Cb -0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3hn3 h LYS 563 CO -0.03 0.21 -0.26 0.77 -0.57 0.00 0.00 179.45 179.57 3hn3 h SER 564 N 0.33 0.62 -0.55 0.86 0.02 -0.98 0.16 113.55 114.01 3hn3 h SER 564 Ca 0.22 -0.49 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3hn3 h SER 564 Cb 0.23 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 3hn3 h SER 564 CO -0.23 0.98 0.29 0.25 -1.14 0.00 0.00 176.83 176.98 3hn3 h LEU 565 N 0.27 0.43 0.02 5.07 6.46 -0.94 -0.71 115.31 125.92 3hn3 h LEU 565 Ca 0.03 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3hn3 h LEU 565 Cb 0.82 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 3hn3 h LEU 565 CO 0.06 0.29 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.08 3hn3 h LEU 566 N 0.56 -0.05 -0.63 2.25 4.07 -0.91 -1.06 115.31 119.54 3hn3 h LEU 566 Ca 0.24 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.31 3hn3 h LEU 566 Cb 0.13 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.81 3hn3 h LEU 566 CO -0.15 -0.03 0.23 -0.33 -1.08 0.00 0.00 178.44 177.08 3hn3 h GLU 567 N -0.05 0.39 -0.47 1.13 5.08 -0.29 0.14 114.58 120.51 3hn3 h GLU 567 Ca 0.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3hn3 h GLU 567 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hn3 h GLU 567 CO -0.01 0.26 -0.24 1.96 -1.00 0.00 0.00 179.01 179.99 3hn3 h GLN 568 N 0.40 0.98 -0.66 2.33 1.08 -0.94 -1.95 115.11 116.36 3hn3 h GLN 568 Ca 0.33 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3hn3 h GLN 568 Cb 0.42 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 3hn3 h GLN 568 CO -0.33 1.10 0.32 1.88 -0.95 0.00 0.00 178.83 180.85 3hn3 h TYR 569 N 0.84 0.95 -0.74 2.96 -1.99 -0.46 -2.43 116.97 116.10 3hn3 h TYR 569 Ca 0.10 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 3hn3 h TYR 569 Cb 0.82 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 3hn3 h TYR 569 CO 0.05 0.71 0.42 0.45 -0.00 0.00 0.00 178.16 179.80 3hn3 h HIS 570 N 0.92 1.00 -0.78 4.88 3.86 -0.55 0.35 115.15 124.83 3hn3 h HIS 570 Ca 0.23 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3hn3 h HIS 570 Cb 0.12 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 3hn3 h HIS 570 CO 0.00 0.69 0.44 -0.07 0.86 0.00 0.00 177.93 179.86 3hn3 h LEU 571 N 1.02 0.97 -0.34 2.43 3.38 -1.17 0.11 115.31 121.70 3hn3 h LEU 571 Ca 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hn3 h LEU 571 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hn3 h LEU 571 CO -0.05 0.78 0.01 1.23 0.09 0.00 0.00 178.44 180.51 3hn3 h GLY 572 N 1.08 0.64 0.96 0.83 0.00 -1.08 -3.00 103.07 102.50 3hn3 h GLY 572 Ca 0.28 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3hn3 h GLY 572 CO -0.05 0.42 0.64 1.41 0.00 0.00 0.00 176.54 178.97 3hn3 h LEU 573 N 0.41 1.07 -1.81 3.11 3.38 -0.58 -2.30 115.31 118.58 3hn3 h LEU 573 Ca 0.10 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.17 3hn3 h LEU 573 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hn3 h LEU 573 CO 0.01 0.75 0.37 0.44 0.09 0.00 0.00 178.44 180.10 3hn3 h ASP 574 N 1.25 0.19 1.10 -0.43 3.32 -0.65 0.56 116.42 121.76 3hn3 h ASP 574 Ca 0.38 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3hn3 h ASP 574 Cb -0.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hn3 h ASP 574 CO -0.11 0.11 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 3hn3 h GLN 575 N 0.21 0.00 0.00 3.56 1.08 -1.36 -3.34 115.11 115.26 3hn3 h GLN 575 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3hn3 h GLN 575 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3hn3 h GLN 575 CO -0.05 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.46 3hn3 n LYS 576 N -2.63 2.29 0.00 1.46 4.76 -0.61 -4.83 118.16 118.60 3hn3 n LYS 576 Ca 0.02 -0.11 0.09 0.00 -2.87 0.00 0.00 58.31 55.45 3hn3 n LYS 576 Cb 0.32 -0.47 0.42 0.00 -1.84 0.00 0.00 35.03 33.47 3hn3 n LYS 576 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3hn3 n ARG 577 N -0.36 0.12 -0.35 1.97 1.85 0.09 -1.16 116.66 118.82 3hn3 n ARG 577 Ca 0.00 0.15 0.08 0.00 -1.00 0.00 0.00 57.85 57.08 3hn3 n ARG 577 Cb 0.04 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.17 3hn3 n ARG 577 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hn3 n ARG 578 N -1.40 2.80 0.04 2.89 1.74 -1.26 -4.72 116.66 116.73 3hn3 n ARG 578 Ca 0.06 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 3hn3 n ARG 578 Cb 0.18 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3hn3 n ARG 578 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hn3 n LYS 579 N -0.38 0.00 0.00 5.56 5.02 -0.31 -5.02 118.16 123.03 3hn3 n LYS 579 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3hn3 n LYS 579 Cb 0.77 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 3hn3 n LYS 579 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3hn3 n TYR 580 N -3.04 0.00 -3.04 2.13 4.11 -0.98 -4.81 117.16 111.52 3hn3 n TYR 580 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.49 3hn3 n TYR 580 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.29 3hn3 n TYR 580 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3hn3 s VAL 581 N 0.00 4.93 -0.81 -3.48 1.01 -0.82 -1.67 120.40 119.56 3hn3 s VAL 581 Ca 0.00 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.30 3hn3 s VAL 581 Cb 0.00 -4.00 0.23 0.00 0.00 0.00 0.00 36.38 32.61 3hn3 s VAL 581 CO 0.00 -0.03 1.16 1.33 0.00 0.00 0.00 175.10 177.56 3hn3 n VAL 582 N 5.24 0.88 -3.60 2.92 0.24 0.40 -4.31 118.33 120.11 3hn3 n VAL 582 Ca 0.01 -0.94 -0.05 0.00 -2.04 0.00 0.00 64.34 61.32 3hn3 n VAL 582 Cb 0.48 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 3hn3 n VAL 582 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hn3 s GLY 583 N -0.97 -0.22 -0.01 7.63 0.00 -1.24 -1.35 107.32 111.15 3hn3 s GLY 583 Ca 0.18 1.88 0.00 0.00 0.00 0.00 0.00 44.72 46.78 3hn3 s GLY 583 CO 0.13 0.72 0.00 -1.83 0.00 0.00 0.00 173.10 172.12 3hn3 s GLU 584 N -1.97 0.11 -0.15 2.90 -1.05 -0.11 -1.30 118.70 117.12 3hn3 s GLU 584 Ca 0.07 0.06 -0.01 0.00 -0.15 0.00 0.00 54.97 54.94 3hn3 s GLU 584 Cb -0.01 -0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.48 3hn3 s GLU 584 CO -0.05 -0.08 -0.05 -0.51 0.95 0.00 0.00 175.26 175.53 3hn3 s LEU 585 N 0.58 1.41 0.35 1.83 1.43 0.38 -1.53 118.68 123.13 3hn3 s LEU 585 Ca -0.05 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 3hn3 s LEU 585 Cb -0.08 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 3hn3 s LEU 585 CO -0.01 -0.18 1.12 -0.51 0.23 0.00 0.00 176.35 176.99 3hn3 s ILE 586 N 1.69 3.41 -0.34 -0.59 2.07 -0.98 -3.35 121.20 123.10 3hn3 s ILE 586 Ca 0.02 1.24 -0.12 0.00 -1.41 0.00 0.00 60.65 60.38 3hn3 s ILE 586 Cb -0.15 -3.72 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 3hn3 s ILE 586 CO -0.08 0.17 0.23 0.86 -1.91 0.00 0.00 174.94 174.21 3hn3 s TRP 587 N -1.38 3.22 0.18 3.50 -0.11 -0.13 -1.11 118.94 123.11 3hn3 s TRP 587 Ca 0.52 -0.26 -0.00 0.00 1.22 0.00 0.00 56.10 57.58 3hn3 s TRP 587 Cb -0.29 -2.46 -0.04 0.00 -1.50 0.00 0.00 33.47 29.17 3hn3 s TRP 587 CO 0.37 -0.37 0.07 1.21 -4.62 0.00 0.00 176.95 173.61 3hn3 s ASN 588 N 1.71 0.58 0.16 5.86 3.84 -0.95 -4.32 114.94 121.82 3hn3 s ASN 588 Ca 0.06 -1.27 -0.18 0.00 0.21 0.00 0.00 52.86 51.68 3hn3 s ASN 588 Cb -0.17 0.26 0.07 0.00 -0.55 0.00 0.00 41.25 40.86 3hn3 s ASN 588 CO 0.10 -0.72 1.67 0.15 -2.79 0.00 0.00 177.10 175.50 3hn3 h PHE 589 N 2.70 -0.26 -3.33 0.43 3.04 -1.03 -1.30 116.94 117.20 3hn3 h PHE 589 Ca -0.36 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.49 3hn3 h PHE 589 Cb 1.22 0.17 -0.20 0.00 2.56 0.00 0.00 35.95 39.70 3hn3 h PHE 589 CO 0.44 -0.18 -0.41 0.00 -2.02 0.00 0.00 178.31 176.14 3hn3 s ALA 590 N -6.20 -0.50 0.25 2.41 0.00 -1.26 -0.96 121.76 115.50 3hn3 s ALA 590 Ca -0.14 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 3hn3 s ALA 590 Cb 0.14 0.10 -0.14 0.00 0.00 0.00 0.00 23.12 23.22 3hn3 s ALA 590 CO 0.70 -0.23 1.17 -0.25 0.00 0.00 0.00 175.76 177.15 3hn3 n ASP 591 N 1.36 1.78 -4.04 0.00 8.00 -0.89 -4.43 116.55 118.33 3hn3 n ASP 591 Ca -0.22 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.35 3hn3 n ASP 591 Cb 0.56 -1.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.25 3hn3 n ASP 591 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hn3 s PHE 592 N -0.58 0.57 0.31 1.24 -0.12 -0.78 -4.04 117.98 114.58 3hn3 s PHE 592 Ca 0.65 -0.97 -0.21 0.00 -0.05 0.00 0.00 56.93 56.35 3hn3 s PHE 592 Cb -0.72 -0.26 -0.09 0.00 -0.63 0.00 0.00 43.02 41.31 3hn3 s PHE 592 CO 0.56 -0.59 0.84 1.41 -0.05 0.00 0.00 175.22 177.39 3hn3 s MET 593 N -3.99 4.32 0.29 1.99 -2.45 -1.26 -0.41 119.30 117.80 3hn3 s MET 593 Ca 0.18 1.04 0.03 0.00 -1.25 0.00 0.00 55.69 55.69 3hn3 s MET 593 Cb 0.06 -2.66 -0.04 0.00 1.25 0.00 0.00 34.83 33.44 3hn3 s MET 593 CO -0.01 0.25 0.18 0.95 1.05 0.00 0.00 175.02 177.43 3hn3 s THR 594 N -1.74 0.21 0.85 10.11 -4.23 -1.26 -1.71 115.64 117.87 3hn3 s THR 594 Ca 0.50 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 3hn3 s THR 594 Cb -0.15 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.28 3hn3 s THR 594 CO 0.20 0.00 1.10 -0.62 -0.54 0.00 0.00 174.62 174.76 3hn3 n GLU 595 N -0.54 -0.07 -2.43 3.99 -0.58 -1.26 -4.60 120.64 115.15 3hn3 n GLU 595 Ca 0.02 0.05 -0.41 0.00 -0.42 0.00 0.00 57.16 56.41 3hn3 n GLU 595 Cb 0.65 -2.35 -0.04 0.00 -0.57 0.00 0.00 31.44 29.13 3hn3 n GLU 595 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hn3 s GLN 596 N -4.20 4.54 -0.04 3.49 -0.21 -1.26 -4.77 119.66 117.22 3hn3 s GLN 596 Ca 0.70 1.81 -0.30 0.00 0.02 0.00 0.00 55.36 57.59 3hn3 s GLN 596 Cb -0.27 -3.25 0.11 0.00 1.00 0.00 0.00 33.01 30.61 3hn3 s GLN 596 CO 0.55 0.00 1.02 -1.54 -2.12 0.00 0.00 175.29 173.19 3hn3 s SER 597 N -0.07 -0.26 0.17 5.90 1.04 -1.26 -5.04 113.70 114.19 3hn3 s SER 597 Ca 0.51 -0.06 0.15 0.00 0.48 0.00 0.00 55.95 57.02 3hn3 s SER 597 Cb -0.31 0.31 0.72 0.00 0.10 0.00 0.00 66.02 66.84 3hn3 s SER 597 CO 0.37 -0.52 1.45 -2.65 0.98 0.00 0.00 173.24 172.86 3hn3 n PRO 598 N -0.25 0.09 -0.22 4.02 -0.02 -1.26 -1.89 135.00 135.47 3hn3 n PRO 598 Ca -0.06 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3hn3 n PRO 598 Cb 0.61 -1.75 0.21 0.00 -0.02 0.00 0.00 33.50 32.55 3hn3 n PRO 598 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hn3 n THR 599 N -1.94 0.69 -3.84 3.45 -2.24 -1.26 -4.85 114.28 104.30 3hn3 n THR 599 Ca 0.00 -0.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 3hn3 n THR 599 Cb 0.08 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 68.94 3hn3 n THR 599 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hn3 s ARG 600 N -1.20 1.08 -1.01 -0.78 1.81 -0.79 -5.01 118.95 113.04 3hn3 s ARG 600 Ca 0.36 -1.10 -0.22 0.00 -1.72 0.00 0.00 55.73 53.05 3hn3 s ARG 600 Cb 0.20 -2.37 0.07 0.00 -0.45 0.00 0.00 34.95 32.40 3hn3 s ARG 600 CO 0.27 -0.83 1.37 0.08 -0.68 0.00 0.00 175.30 175.51 3hn3 s VAL 601 N 1.47 4.17 -1.30 3.52 1.01 -1.26 -3.85 120.40 124.15 3hn3 s VAL 601 Ca 0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3hn3 s VAL 601 Cb -0.18 -4.98 -0.00 0.00 0.00 0.00 0.00 36.38 31.21 3hn3 s VAL 601 CO -0.15 -1.82 0.62 0.18 0.00 0.00 0.00 175.10 173.94 3hn3 n LEU 602 N 8.18 -2.83 0.00 3.92 4.77 -1.26 -4.73 117.00 125.05 3hn3 n LEU 602 Ca 0.31 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3hn3 n LEU 602 Cb 0.50 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 3hn3 n LEU 602 CO 0.62 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3hn3 n GLY 603 N -1.73 -1.86 3.68 -0.72 0.00 -1.25 -4.78 105.19 98.53 3hn3 n GLY 603 Ca -0.26 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.37 3hn3 n GLY 603 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hn3 s ASN 604 N -4.00 6.48 -0.17 1.61 3.84 0.45 -4.62 114.94 118.52 3hn3 s ASN 604 Ca 0.00 0.56 0.16 0.00 0.21 0.00 0.00 52.86 53.79 3hn3 s ASN 604 Cb 0.00 -2.24 0.56 0.00 -0.55 0.00 0.00 41.25 39.02 3hn3 s ASN 604 CO 0.00 -0.07 1.46 0.29 -2.79 0.00 0.00 177.10 175.99 3hn3 n LYS 605 N 4.36 3.21 -0.00 0.43 4.76 -1.26 -1.87 118.16 127.79 3hn3 n LYS 605 Ca -0.08 -2.83 0.10 0.00 -2.87 0.00 0.00 58.31 52.63 3hn3 n LYS 605 Cb 0.51 -1.86 0.61 0.00 -1.84 0.00 0.00 35.03 32.45 3hn3 n LYS 605 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hn3 n LYS 606 N -0.24 1.01 -1.69 1.97 5.02 -1.26 -1.25 118.16 121.72 3hn3 n LYS 606 Ca 0.22 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 3hn3 n LYS 606 Cb 0.90 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.60 3hn3 n LYS 606 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hn3 n GLY 607 N 0.83 0.47 0.19 0.72 0.00 -1.26 -2.24 105.19 103.89 3hn3 n GLY 607 Ca 0.15 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.45 3hn3 n GLY 607 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3hn3 h ILE 608 N 2.05 0.35 -3.12 -0.61 3.07 -1.16 -3.44 117.51 114.63 3hn3 h ILE 608 Ca -0.47 -1.48 -0.63 0.00 1.55 0.00 0.00 64.86 63.82 3hn3 h ILE 608 Cb 1.30 2.17 -0.12 0.00 -0.27 0.00 0.00 36.82 39.90 3hn3 h ILE 608 CO 0.60 0.20 -0.67 -0.36 -1.05 0.00 0.00 178.15 176.86 3hn3 s PHE 609 N -3.11 2.86 1.03 0.16 0.40 -0.13 -1.22 117.98 117.97 3hn3 s PHE 609 Ca 0.06 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 3hn3 s PHE 609 Cb 0.06 -1.43 0.21 0.00 0.51 0.00 0.00 43.02 42.37 3hn3 s PHE 609 CO 0.70 0.49 1.07 0.95 0.70 0.00 0.00 175.22 179.13 3hn3 s THR 610 N -1.53 2.18 0.61 0.64 -4.23 0.24 -2.10 115.64 111.45 3hn3 s THR 610 Ca 0.26 0.06 0.41 0.00 -1.18 0.00 0.00 61.69 61.24 3hn3 s THR 610 Cb -0.10 -2.36 0.43 0.00 1.34 0.00 0.00 72.50 71.80 3hn3 s THR 610 CO 0.18 -0.07 2.32 -0.09 -0.54 0.00 0.00 174.62 176.41 3hn3 h ARG 611 N -2.09 0.00 -0.63 3.99 2.43 -1.91 -1.40 114.38 114.77 3hn3 h ARG 611 Ca -0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3hn3 h ARG 611 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3hn3 h ARG 611 CO 0.53 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 180.04 3hn3 n GLN 612 N -3.22 3.21 -2.81 0.20 3.00 -1.26 -4.67 117.38 111.84 3hn3 n GLN 612 Ca -0.03 -2.19 -0.14 0.00 -0.01 0.00 0.00 57.00 54.63 3hn3 n GLN 612 Cb 0.09 -1.80 0.03 0.00 0.00 0.00 0.00 30.24 28.56 3hn3 n GLN 612 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3hn3 n ARG 613 N 0.74 -3.41 -4.54 -1.09 3.00 -0.53 -5.05 116.66 105.78 3hn3 n ARG 613 Ca 0.20 0.58 -0.31 0.00 -0.01 0.00 0.00 57.85 58.30 3hn3 n ARG 613 Cb 0.75 -4.75 -0.11 0.00 0.00 0.00 0.00 32.46 28.35 3hn3 n ARG 613 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3hn3 s GLN 614 N -5.35 2.29 0.15 5.56 -1.52 -1.26 -4.91 119.66 114.62 3hn3 s GLN 614 Ca 0.22 -0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 3hn3 s GLN 614 Cb -0.10 -2.33 -0.07 0.00 -0.22 0.00 0.00 33.01 30.29 3hn3 s GLN 614 CO 0.27 0.56 1.12 -1.25 -0.25 0.00 0.00 175.29 175.75 3hn3 s PRO 615 N -1.50 4.56 0.86 2.91 0.04 -1.26 -0.59 135.00 140.02 3hn3 s PRO 615 Ca 0.16 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 3hn3 s PRO 615 Cb -0.11 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.25 3hn3 s PRO 615 CO 0.07 0.00 1.13 0.15 0.04 0.00 0.00 177.00 178.39 3hn3 s LYS 616 N -0.08 1.54 0.43 4.56 1.02 -0.35 -4.89 119.74 121.97 3hn3 s LYS 616 Ca 0.51 0.34 0.10 0.00 0.02 0.00 0.00 55.97 56.94 3hn3 s LYS 616 Cb -0.29 -1.88 0.93 0.00 -0.52 0.00 0.00 37.83 36.06 3hn3 s LYS 616 CO 0.34 -1.93 2.03 0.77 -0.92 0.00 0.00 175.35 175.64 3hn3 h SER 617 N -1.30 0.27 0.41 2.83 0.02 -1.93 -1.59 113.55 112.26 3hn3 h SER 617 Ca -0.49 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 3hn3 h SER 617 Cb 1.32 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3hn3 h SER 617 CO 0.62 0.28 -0.08 0.00 -1.14 0.00 0.00 176.83 176.51 3hn3 h ALA 618 N 1.77 1.19 -0.77 3.77 0.00 -1.87 -2.86 119.26 120.49 3hn3 h ALA 618 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hn3 h ALA 618 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hn3 h ALA 618 CO -0.00 0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.69 3hn3 h ALA 619 N 1.92 1.16 -0.58 0.00 0.00 -1.44 -1.90 119.26 118.42 3hn3 h ALA 619 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3hn3 h ALA 619 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hn3 h ALA 619 CO 0.01 0.62 0.07 0.74 0.00 0.00 0.00 179.25 180.70 3hn3 h PHE 620 N 1.10 1.00 0.04 0.00 -1.00 -1.64 -1.03 116.94 115.41 3hn3 h PHE 620 Ca 0.26 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 3hn3 h PHE 620 Cb 0.14 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.42 3hn3 h PHE 620 CO 0.01 0.86 -0.02 1.25 -1.61 0.00 0.00 178.31 178.81 3hn3 h LEU 621 N 0.89 -0.04 -0.81 1.54 5.85 -1.45 -2.24 115.31 119.03 3hn3 h LEU 621 Ca 0.18 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3hn3 h LEU 621 Cb 0.42 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3hn3 h LEU 621 CO 0.01 0.02 0.37 0.25 -0.34 0.00 0.00 178.44 178.75 3hn3 h LEU 622 N -0.10 1.08 -0.17 2.25 5.85 -1.25 -2.60 115.31 120.37 3hn3 h LEU 622 Ca -0.01 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3hn3 h LEU 622 Cb 0.09 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 3hn3 h LEU 622 CO 0.01 0.93 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.77 3hn3 h ARG 623 N 1.16 -0.20 -0.68 1.25 2.43 -1.08 0.28 114.38 117.54 3hn3 h ARG 623 Ca 0.28 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3hn3 h ARG 623 Cb 0.15 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 3hn3 h ARG 623 CO -0.03 -0.13 0.38 0.93 -1.51 0.00 0.00 179.97 179.61 3hn3 h GLU 624 N -0.20 0.68 0.10 0.20 4.39 -1.18 -1.87 114.58 116.70 3hn3 h GLU 624 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3hn3 h GLU 624 Cb 0.37 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3hn3 h GLU 624 CO -0.29 0.45 -0.05 -0.09 -1.16 0.00 0.00 179.01 177.87 3hn3 h ARG 625 N 0.70 -0.13 -0.89 2.33 2.43 -1.05 -1.60 114.38 116.17 3hn3 h ARG 625 Ca 0.31 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3hn3 h ARG 625 Cb 0.19 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3hn3 h ARG 625 CO -0.18 -0.04 0.54 1.88 -1.51 0.00 0.00 179.97 180.65 3hn3 h TYR 626 N -0.19 1.17 -0.08 2.20 -1.99 -0.55 0.61 116.97 118.15 3hn3 h TYR 626 Ca -0.01 -0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.55 3hn3 h TYR 626 Cb 0.15 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 3hn3 h TYR 626 CO -0.06 0.78 -0.65 -1.49 -0.00 0.00 0.00 178.16 176.74 3hn3 h TRP 627 N 1.23 0.42 0.12 4.88 4.06 -1.33 -0.19 115.95 125.14 3hn3 h TRP 627 Ca 0.32 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 3hn3 h TRP 627 Cb -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3hn3 h TRP 627 CO 0.00 0.88 -0.06 -0.22 -3.56 0.00 0.00 178.44 175.49 3hn3 h LYS 628 N 0.23 -0.15 -0.48 0.49 3.64 -0.59 -1.04 116.57 118.66 3hn3 h LYS 628 Ca -0.01 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3hn3 h LYS 628 Cb 1.18 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3hn3 h LYS 628 CO 0.11 0.03 0.27 0.82 -2.27 0.00 0.00 179.45 178.40 3hn3 h ILE 629 N -0.30 1.00 -0.88 2.00 2.04 -0.84 -2.43 117.51 118.09 3hn3 h ILE 629 Ca -0.02 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3hn3 h ILE 629 Cb 0.25 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 3hn3 h ILE 629 CO 0.03 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.83 3hn3 h ALA 630 N 1.24 1.20 0.00 1.87 0.00 -0.84 -2.03 119.26 120.70 3hn3 h ALA 630 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hn3 h ALA 630 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hn3 h ALA 630 CO -0.12 0.34 0.00 -0.97 0.00 0.00 0.00 179.25 178.50 3hn3 h ASN 631 N 1.03 0.00 0.00 0.00 -1.24 -0.74 -3.49 115.58 111.15 3hn3 h ASN 631 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.39 3hn3 h ASN 631 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 3hn3 h ASN 631 CO -0.16 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.36