#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hn3 s GLN 24 N 0.00 3.50 0.11 1.96 -0.21 -1.26 -5.07 119.66 118.69 3hn3 s GLN 24 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.84 3hn3 s GLN 24 Cb 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.18 3hn3 s GLN 24 CO 0.00 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 3hn3 n GLY 25 N 3.31 -1.59 3.99 3.09 0.00 -1.26 -4.98 105.19 107.75 3hn3 n GLY 25 Ca -0.18 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 3hn3 n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hn3 s GLY 26 N -3.96 1.76 -0.44 -0.02 0.00 -1.24 -5.05 107.32 98.37 3hn3 s GLY 26 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.08 3hn3 s GLY 26 CO 0.00 -1.09 0.93 -0.13 0.00 0.00 0.00 173.10 172.81 3hn3 n MET 27 N -2.99 0.92 -2.57 2.90 1.56 -1.26 -4.96 117.12 110.72 3hn3 n MET 27 Ca 0.16 -2.26 -0.40 0.00 -0.27 0.00 0.00 57.70 54.92 3hn3 n MET 27 Cb 0.60 -1.28 -0.05 0.00 2.15 0.00 0.00 33.22 34.64 3hn3 n MET 27 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3hn3 s LEU 28 N -1.79 4.58 0.10 -0.89 1.43 -1.26 -4.75 118.68 116.10 3hn3 s LEU 28 Ca 0.29 2.15 -0.31 0.00 -1.03 0.00 0.00 54.13 55.23 3hn3 s LEU 28 Cb 0.27 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 3hn3 s LEU 28 CO -0.11 -0.04 1.56 -0.47 0.23 0.00 0.00 176.35 177.51 3hn3 s TYR 29 N -1.11 2.83 0.45 0.29 5.04 -1.26 -4.91 117.35 118.67 3hn3 s TYR 29 Ca 0.43 0.58 -0.24 0.00 -2.44 0.00 0.00 57.07 55.40 3hn3 s TYR 29 Cb -0.30 -3.88 -0.08 0.00 0.35 0.00 0.00 41.96 38.06 3hn3 s TYR 29 CO 0.38 -3.34 1.28 -2.14 -1.34 0.00 0.00 175.55 170.39 3hn3 s PRO 30 N 1.83 3.75 0.06 4.97 0.02 -1.26 -5.03 135.00 139.34 3hn3 s PRO 30 Ca 0.70 2.07 -0.09 0.00 0.02 0.00 0.00 61.00 63.71 3hn3 s PRO 30 Cb -0.40 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3hn3 s PRO 30 CO 0.31 -0.64 0.19 1.14 -0.33 0.00 0.00 177.00 177.66 3hn3 s GLN 31 N -2.49 0.75 0.39 5.54 -2.07 -1.26 -5.13 119.66 115.39 3hn3 s GLN 31 Ca 0.61 -0.77 -0.24 0.00 -1.82 0.00 0.00 55.36 53.15 3hn3 s GLN 31 Cb -0.36 0.31 -0.10 0.00 -1.09 0.00 0.00 33.01 31.77 3hn3 s GLN 31 CO 0.45 -0.22 0.99 -1.21 -1.32 0.00 0.00 175.29 173.97 3hn3 s GLU 32 N -3.08 4.30 0.31 9.60 8.01 -1.26 -4.67 118.70 131.91 3hn3 s GLU 32 Ca -0.01 1.33 -0.16 0.00 0.01 0.00 0.00 54.97 56.14 3hn3 s GLU 32 Cb 0.01 -2.50 0.02 0.00 -4.31 0.00 0.00 34.13 27.35 3hn3 s GLU 32 CO -0.07 0.02 0.67 -1.54 0.01 0.00 0.00 175.26 174.35 3hn3 s SER 33 N -1.78 -0.03 0.60 -0.19 1.04 -0.32 -4.93 113.70 108.09 3hn3 s SER 33 Ca 0.57 -0.93 0.29 0.00 0.48 0.00 0.00 55.95 56.36 3hn3 s SER 33 Cb -0.17 0.73 1.36 0.00 0.10 0.00 0.00 66.02 68.05 3hn3 s SER 33 CO 0.22 -1.41 1.76 -0.65 0.98 0.00 0.00 173.24 174.14 3hn3 h PRO 34 N 2.06 0.00 -0.02 4.02 0.11 -1.98 -2.02 132.00 134.17 3hn3 h PRO 34 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 0.32 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 3hn3 n SER 35 N -3.58 2.02 -3.83 -2.05 3.41 -1.26 -5.00 113.62 103.33 3hn3 n SER 35 Ca 0.12 -1.51 -0.14 0.00 -0.26 0.00 0.00 58.87 57.08 3hn3 n SER 35 Cb 0.87 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.99 0.06 0.26 4.33 0.52 -0.76 -4.12 118.95 118.24 3hn3 s ARG 36 Ca 0.14 0.06 0.09 0.00 -0.52 0.00 0.00 55.73 55.51 3hn3 s ARG 36 Cb 0.10 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 3hn3 s ARG 36 CO 0.15 -0.07 0.01 -1.21 0.02 0.00 0.00 175.30 174.20 3hn3 s GLU 37 N 0.51 2.36 -0.03 3.54 2.02 -1.24 -1.17 118.70 124.69 3hn3 s GLU 37 Ca -0.04 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 53.60 3hn3 s GLU 37 Cb -0.07 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3hn3 s GLU 37 CO -0.01 0.37 -0.07 0.00 0.02 0.00 0.00 175.26 175.57 3hn3 s LYS 39 N 0.31 1.79 0.27 0.00 2.20 0.86 -5.00 119.74 120.16 3hn3 s LYS 39 Ca -0.04 -1.27 -0.29 0.00 -0.36 0.00 0.00 55.97 54.00 3hn3 s LYS 39 Cb -0.09 -2.77 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3hn3 s LYS 39 CO 0.00 -0.66 1.27 -1.21 -0.36 0.00 0.00 175.35 174.39 3hn3 s GLU 40 N 1.22 4.42 -0.44 4.03 8.01 -1.26 -0.93 118.70 133.75 3hn3 s GLU 40 Ca -0.04 2.07 0.04 0.00 0.01 0.00 0.00 54.97 57.06 3hn3 s GLU 40 Cb -0.19 -3.14 0.47 0.00 -4.31 0.00 0.00 34.13 26.96 3hn3 s GLU 40 CO -0.07 -0.14 1.58 1.28 0.01 0.00 0.00 175.26 177.92 3hn3 n LEU 41 N 1.65 5.92 -4.77 1.80 4.77 0.26 -4.93 117.00 121.69 3hn3 n LEU 41 Ca 0.02 -4.38 -0.32 0.00 -0.03 0.00 0.00 56.01 51.31 3hn3 n LEU 41 Cb 0.43 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3hn3 n LEU 41 CO 0.58 1.69 0.71 -1.81 -1.33 0.00 0.00 177.39 177.23 3hn3 s ASP 42 N -2.67 4.81 0.00 -1.43 1.11 -1.26 -4.79 116.67 112.43 3hn3 s ASP 42 Ca 0.55 1.87 0.00 0.00 0.18 0.00 0.00 52.55 55.15 3hn3 s ASP 42 Cb 0.45 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.91 3hn3 s ASP 42 CO 0.02 -1.83 0.00 0.61 1.18 0.00 0.00 175.17 175.14 3hn3 n GLY 43 N -1.02 0.23 3.71 0.21 0.00 0.20 -4.97 105.19 103.56 3hn3 n GLY 43 Ca 0.09 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 4.35 0.24 0.99 1.43 -1.26 -0.52 118.68 123.91 3hn3 s LEU 44 Ca 0.00 1.47 0.12 0.00 -1.03 0.00 0.00 54.13 54.68 3hn3 s LEU 44 Cb 0.00 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 3hn3 s LEU 44 CO 0.00 -0.20 -0.21 0.26 0.23 0.00 0.00 176.35 176.42 3hn3 s TRP 45 N 0.93 2.30 0.34 0.29 0.52 -0.11 -4.94 118.94 118.26 3hn3 s TRP 45 Ca 0.46 -0.34 -0.23 0.00 0.02 0.00 0.00 56.10 56.01 3hn3 s TRP 45 Cb -0.20 -1.06 -0.10 0.00 -1.15 0.00 0.00 33.47 30.96 3hn3 s TRP 45 CO 0.24 0.62 0.89 -1.12 0.02 0.00 0.00 176.95 177.60 3hn3 s SER 46 N -3.13 7.13 -0.09 2.95 0.01 0.84 -0.82 113.70 120.58 3hn3 s SER 46 Ca 0.26 1.68 -0.08 0.00 1.31 0.00 0.00 55.95 59.11 3hn3 s SER 46 Cb -0.06 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.67 3hn3 s SER 46 CO 0.13 -0.15 0.25 0.12 0.41 0.00 0.00 173.24 174.00 3hn3 s PHE 47 N -1.79 -0.28 -0.14 2.43 2.19 0.25 -0.09 117.98 120.55 3hn3 s PHE 47 Ca 0.53 0.68 -0.07 0.00 0.33 0.00 0.00 56.93 58.39 3hn3 s PHE 47 Cb -0.15 0.09 0.06 0.00 -1.31 0.00 0.00 43.02 41.71 3hn3 s PHE 47 CO 0.20 -0.14 0.33 0.50 1.83 0.00 0.00 175.22 177.94 3hn3 s ARG 48 N 0.22 0.30 0.15 10.12 3.52 -0.23 -0.97 118.95 132.07 3hn3 s ARG 48 Ca -0.01 0.69 -0.27 0.00 -0.13 0.00 0.00 55.73 56.02 3hn3 s ARG 48 Cb -0.02 -0.05 -0.07 0.00 -1.56 0.00 0.00 34.95 33.24 3hn3 s ARG 48 CO -0.00 -0.17 0.83 0.00 -0.81 0.00 0.00 175.30 175.15 3hn3 s ALA 49 N 1.47 3.38 -0.68 6.12 0.00 -1.26 -0.30 121.76 130.49 3hn3 s ALA 49 Ca -0.08 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 3hn3 s ALA 49 Cb -0.10 -3.06 0.10 0.00 0.00 0.00 0.00 23.12 20.06 3hn3 s ALA 49 CO -0.11 0.19 0.87 0.34 0.00 0.00 0.00 175.76 177.05 3hn3 s ASP 50 N -0.80 6.26 -0.02 0.00 -1.08 -0.75 -4.89 116.67 115.40 3hn3 s ASP 50 Ca 0.39 -1.39 0.07 0.00 -0.52 0.00 0.00 52.55 51.10 3hn3 s ASP 50 Cb -0.23 -2.36 0.23 0.00 -1.46 0.00 0.00 42.92 39.10 3hn3 s ASP 50 CO 0.27 -1.22 1.12 0.49 0.52 0.00 0.00 175.17 176.35 3hn3 n PHE 51 N 6.84 0.42 -1.73 -5.34 3.72 -1.26 -4.64 117.46 115.47 3hn3 n PHE 51 Ca -0.02 -0.18 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 3hn3 n PHE 51 Cb 0.45 -0.06 0.03 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.22 2.73 -0.21 4.37 3.41 -1.26 -4.88 113.62 117.99 3hn3 n SER 52 Ca 0.08 1.05 0.01 0.00 -0.26 0.00 0.00 58.87 59.76 3hn3 n SER 52 Cb 0.29 -1.55 0.12 0.00 -0.26 0.00 0.00 64.21 62.81 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 1.83 0.12 -0.13 4.04 3.32 -2.03 0.24 116.42 123.81 3hn3 h ASP 53 Ca -0.50 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hn3 h ASP 53 Cb 1.29 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3hn3 h ASP 53 CO 0.59 0.07 0.00 -0.46 -1.72 0.00 0.00 179.24 177.71 3hn3 n ASN 54 N -5.06 1.22 -0.40 6.45 0.23 -1.26 -4.91 115.26 111.52 3hn3 n ASN 54 Ca 0.10 -1.65 -0.05 0.00 -0.53 0.00 0.00 54.58 52.45 3hn3 n ASN 54 Cb 0.32 -0.08 -0.02 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 0.03 -1.59 0.00 -3.83 5.12 0.83 -4.81 116.66 112.41 3hn3 n ARG 55 Ca 0.15 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 3hn3 n ARG 55 Cb 0.26 -4.92 0.00 0.00 -1.16 0.00 0.00 32.46 26.64 3hn3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hn3 n ARG 56 N -0.40 1.36 -0.26 5.56 1.74 -1.26 -4.55 116.66 118.85 3hn3 n ARG 56 Ca -0.05 -1.04 0.11 0.00 -0.77 0.00 0.00 57.85 56.10 3hn3 n ARG 56 Cb 0.48 -0.95 0.38 0.00 -1.02 0.00 0.00 32.46 31.35 3hn3 n ARG 56 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hn3 h ARG 57 N 0.00 0.68 -0.37 5.56 2.43 -1.91 -0.41 114.38 120.36 3hn3 h ARG 57 Ca 0.00 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hn3 h ARG 57 Cb 0.37 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3hn3 h ARG 57 CO 0.00 0.45 0.25 0.78 -1.51 0.00 0.00 179.97 179.93 3hn3 h GLY 58 N 0.70 0.46 1.53 2.80 0.00 -1.97 0.15 103.07 106.74 3hn3 h GLY 58 Ca 0.43 -0.16 -0.26 0.00 0.00 0.00 0.00 47.33 47.33 3hn3 h GLY 58 CO -0.19 0.15 -1.33 0.74 0.00 0.00 0.00 176.54 175.91 3hn3 h PHE 59 N 0.42 0.20 -0.29 5.60 0.04 -1.49 -0.37 116.94 121.05 3hn3 h PHE 59 Ca 0.15 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3hn3 h PHE 59 Cb 0.07 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3hn3 h PHE 59 CO -0.00 1.15 -0.09 0.93 -0.60 0.00 0.00 178.31 179.71 3hn3 h GLU 60 N 0.03 0.57 -0.00 1.51 5.08 -0.49 -2.95 114.58 118.31 3hn3 h GLU 60 Ca -0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3hn3 h GLU 60 Cb 1.92 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3hn3 h GLU 60 CO 0.14 0.78 -0.15 0.39 -1.00 0.00 0.00 179.01 179.17 3hn3 n GLU 61 N -4.48 0.69 -3.62 2.33 1.02 0.47 -4.98 120.64 112.07 3hn3 n GLU 61 Ca -0.03 -0.28 -0.28 0.00 -0.02 0.00 0.00 57.16 56.55 3hn3 n GLU 61 Cb 0.33 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.91 -1.76 -0.19 3.49 6.02 -0.62 -4.85 117.38 118.57 3hn3 n GLN 62 Ca 0.14 0.54 0.17 0.00 -0.01 0.00 0.00 57.00 57.83 3hn3 n GLN 62 Cb 0.30 -4.51 0.52 0.00 1.02 0.00 0.00 30.24 27.57 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 -1.76 0.48 0.00 1.08 6.55 -1.42 -1.85 115.95 119.03 3hn3 h TRP 63 Ca -0.65 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.20 3hn3 h TRP 63 Cb 1.35 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 3hn3 h TRP 63 CO 0.35 0.16 0.00 0.10 -1.05 0.00 0.00 178.44 178.00 3hn3 h TYR 64 N 0.39 0.00 0.00 0.49 -0.00 -1.89 -2.87 116.97 113.10 3hn3 h TYR 64 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.12 3hn3 h TYR 64 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.73 3hn3 h TYR 64 CO -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 178.07 3hn3 h ARG 65 N 0.00 0.00 -4.51 0.10 3.08 -1.62 -3.33 114.38 108.10 3hn3 h ARG 65 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3hn3 h ARG 65 Cb 0.08 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.99 3hn3 h ARG 65 CO 0.00 0.08 -0.66 1.03 -1.07 0.00 0.00 179.97 179.35 3hn3 s ARG 66 N -3.72 0.90 0.28 0.04 1.81 -1.08 -4.83 118.95 112.36 3hn3 s ARG 66 Ca 0.00 -1.41 -0.28 0.00 -1.72 0.00 0.00 55.73 52.32 3hn3 s ARG 66 Cb 0.10 0.05 -0.14 0.00 -0.45 0.00 0.00 34.95 34.51 3hn3 s ARG 66 CO 0.57 -0.17 0.95 -2.30 -0.68 0.00 0.00 175.30 173.68 3hn3 n PRO 67 N -0.09 1.20 -0.18 3.54 -0.02 -1.26 -4.84 135.00 133.36 3hn3 n PRO 67 Ca -0.08 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 3hn3 n PRO 67 Cb 0.63 -1.75 0.30 0.00 -0.02 0.00 0.00 33.50 32.65 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 1.87 0.75 -2.28 2.45 5.85 -1.97 -1.89 115.31 120.09 3hn3 h LEU 68 Ca -0.38 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3hn3 h LEU 68 Cb 1.35 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hn3 h LEU 68 CO 0.60 0.53 -0.05 4.11 -0.34 0.00 0.00 178.44 183.29 3hn3 h TRP 69 N 0.88 0.00 0.00 1.25 5.08 -1.88 -2.34 115.95 118.93 3hn3 h TRP 69 Ca 0.27 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.23 3hn3 h TRP 69 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3hn3 h TRP 69 CO -0.00 0.05 -0.07 0.93 -1.28 0.00 0.00 178.44 178.07 3hn3 h GLU 70 N 0.00 0.00 -0.03 0.12 5.08 -1.69 -2.98 114.58 115.08 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 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hn3 h GLU 70 CO 0.01 0.07 -0.10 -1.13 -1.00 0.00 0.00 179.01 176.85 3hn3 n SER 71 N -3.32 2.79 0.00 1.42 3.41 -0.88 -5.06 113.62 111.99 3hn3 n SER 71 Ca -0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3hn3 n SER 71 Cb 0.25 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.36 -2.18 3.66 5.00 0.00 -1.13 -5.11 105.19 106.79 3hn3 n GLY 72 Ca 0.13 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.16 1.90 -4.37 1.61 -0.02 -1.26 -4.52 135.00 127.18 3hn3 n PRO 73 Ca 0.00 0.68 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 3hn3 n PRO 73 Cb 0.00 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 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 -0.11 1.71 0.25 3.45 -4.23 -1.26 -4.82 115.64 110.63 3hn3 s THR 74 Ca 0.68 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 3hn3 s THR 74 Cb -0.68 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 3hn3 s THR 74 CO 0.50 -0.49 0.02 0.68 -0.54 0.00 0.00 174.62 174.80 3hn3 s VAL 75 N -2.99 1.03 0.29 2.29 -7.23 -0.14 -4.91 120.40 108.73 3hn3 s VAL 75 Ca 0.25 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 3hn3 s VAL 75 Cb 0.01 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 3hn3 s VAL 75 CO 0.09 -0.22 1.04 -1.81 -0.31 0.00 0.00 175.10 173.89 3hn3 s ASP 76 N -3.35 7.31 -0.04 4.85 1.01 -1.26 -0.58 116.67 124.61 3hn3 s ASP 76 Ca 0.31 2.13 0.01 0.00 0.71 0.00 0.00 52.55 55.71 3hn3 s ASP 76 Cb 0.06 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.40 3hn3 s ASP 76 CO 0.11 -0.10 -0.03 -0.32 0.21 0.00 0.00 175.17 175.04 3hn3 s MET 77 N -1.54 0.63 0.44 8.23 1.75 -0.00 -4.87 119.30 123.94 3hn3 s MET 77 Ca 0.45 -0.03 -0.22 0.00 -1.25 0.00 0.00 55.69 54.65 3hn3 s MET 77 Cb -0.28 -0.72 -0.09 0.00 2.84 0.00 0.00 34.83 36.58 3hn3 s MET 77 CO 0.36 -0.11 1.05 -1.25 -0.65 0.00 0.00 175.02 174.42 3hn3 s PRO 78 N 1.02 3.96 -0.04 4.11 0.04 -1.26 -0.94 135.00 141.90 3hn3 s PRO 78 Ca -0.10 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.41 3hn3 s PRO 78 Cb -0.14 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.11 3hn3 s PRO 78 CO -0.01 -0.31 -0.04 0.08 0.04 0.00 0.00 177.00 176.77 3hn3 s VAL 79 N -1.80 0.46 0.29 -0.36 1.01 0.33 -3.72 120.40 116.59 3hn3 s VAL 79 Ca 0.63 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 3hn3 s VAL 79 Cb -0.20 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 3hn3 s VAL 79 CO 0.24 0.21 1.02 -2.16 0.00 0.00 0.00 175.10 174.41 3hn3 s PRO 80 N 0.91 4.65 -0.20 2.72 0.04 -1.26 -0.62 135.00 141.23 3hn3 s PRO 80 Ca -0.11 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.22 3hn3 s PRO 80 Cb -0.14 -3.10 0.15 0.00 0.04 0.00 0.00 34.50 31.45 3hn3 s PRO 80 CO -0.00 0.27 1.19 0.45 0.04 0.00 0.00 177.00 178.95 3hn3 s SER 81 N -1.14 -0.17 0.52 6.66 0.15 -0.44 -4.53 113.70 114.75 3hn3 s SER 81 Ca 0.46 0.09 -0.18 0.00 0.70 0.00 0.00 55.95 57.02 3hn3 s SER 81 Cb -0.27 0.16 -0.07 0.00 -1.71 0.00 0.00 66.02 64.12 3hn3 s SER 81 CO 0.35 -0.22 1.02 -0.44 1.20 0.00 0.00 173.24 175.14 3hn3 s SER 82 N -1.69 6.31 0.04 5.45 0.01 -0.06 -3.44 113.70 120.31 3hn3 s SER 82 Ca 0.07 1.76 0.26 0.00 1.31 0.00 0.00 55.95 59.34 3hn3 s SER 82 Cb -0.01 -2.53 0.60 0.00 0.21 0.00 0.00 66.02 64.29 3hn3 s SER 82 CO -0.04 -0.80 1.49 2.22 0.41 0.00 0.00 173.24 176.52 3hn3 n PHE 83 N -1.46 0.17 0.10 2.43 1.16 0.47 -4.60 117.46 115.72 3hn3 n PHE 83 Ca 0.08 0.05 -0.05 0.00 -1.87 0.00 0.00 57.45 55.66 3hn3 n PHE 83 Cb 0.53 -0.42 0.10 0.00 -1.61 0.00 0.00 39.48 38.08 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 0.16 -0.39 5.98 4.21 -1.89 -3.05 115.58 120.60 3hn3 h ASN 84 Ca 0.00 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.40 3hn3 h ASN 84 Cb 0.57 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3hn3 h ASN 84 CO 0.00 0.80 0.00 0.47 -1.29 0.00 0.00 177.43 177.41 3hn3 n ASP 85 N -3.77 3.17 0.05 5.81 8.00 -1.26 -4.04 116.55 124.50 3hn3 n ASP 85 Ca -0.02 -2.10 -0.05 0.00 0.71 0.00 0.00 54.79 53.34 3hn3 n ASP 85 Cb 0.68 -0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 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 2.31 1.12 -0.84 0.53 1.08 -1.71 -3.46 117.51 116.54 3hn3 h ILE 86 Ca 0.00 -2.77 -0.59 0.00 -0.39 0.00 0.00 64.86 61.11 3hn3 h ILE 86 Cb 0.84 2.52 -0.07 0.00 -3.07 0.00 0.00 36.82 37.04 3hn3 h ILE 86 CO 0.03 0.64 -0.38 -0.94 -0.69 0.00 0.00 178.15 176.80 3hn3 s SER 87 N -6.33 4.54 -0.10 1.72 1.04 -1.26 -5.03 113.70 108.28 3hn3 s SER 87 Ca -0.01 -1.23 0.15 0.00 0.48 0.00 0.00 55.95 55.35 3hn3 s SER 87 Cb 0.09 0.15 0.54 0.00 0.10 0.00 0.00 66.02 66.90 3hn3 s SER 87 CO 0.81 -0.90 1.46 0.00 0.98 0.00 0.00 173.24 175.58 3hn3 n GLN 88 N -1.55 3.26 -2.37 4.02 1.13 -1.26 -4.96 117.38 115.64 3hn3 n GLN 88 Ca -0.04 -2.63 -0.43 0.00 -1.94 0.00 0.00 57.00 51.97 3hn3 n GLN 88 Cb 0.65 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.25 6.78 0.57 1.08 -1.08 -1.26 -4.91 116.67 116.61 3hn3 s ASP 89 Ca 0.40 1.55 0.29 0.00 -0.52 0.00 0.00 52.55 54.27 3hn3 s ASP 89 Cb 0.27 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.93 3hn3 s ASP 89 CO 0.17 -0.92 2.21 -0.50 0.52 0.00 0.00 175.17 176.65 3hn3 h TRP 90 N 8.88 0.00 0.00 -5.34 4.06 -2.01 -2.80 115.95 118.73 3hn3 h TRP 90 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3hn3 h TRP 90 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 3hn3 h TRP 90 CO 0.84 0.03 -0.46 0.00 -3.56 0.00 0.00 178.44 175.30 3hn3 h ARG 91 N 0.00 0.00 0.21 0.49 3.08 -2.01 -3.39 114.38 112.77 3hn3 h ARG 91 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 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 0.00 -1.41 1.25 -1.07 0.00 0.00 179.97 178.74 3hn3 h LEU 92 N 0.00 0.68 -0.85 3.04 5.85 -1.87 -3.01 115.31 119.16 3hn3 h LEU 92 Ca 0.00 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 57.99 3hn3 h LEU 92 Cb 0.90 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3hn3 h LEU 92 CO 0.00 1.58 0.55 -0.09 -0.34 0.00 0.00 178.44 180.14 3hn3 h ARG 93 N 0.12 1.13 -0.52 1.25 2.43 -1.73 -2.23 114.38 114.83 3hn3 h ARG 93 Ca -0.22 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3hn3 h ARG 93 Cb 2.10 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3hn3 h ARG 93 CO 0.25 0.76 0.00 0.72 -1.51 0.00 0.00 179.97 180.18 3hn3 n HIS 94 N -4.48 1.25 -1.70 2.20 8.25 -1.26 -4.88 115.22 114.60 3hn3 n HIS 94 Ca 0.09 -0.65 -0.43 0.00 -0.26 0.00 0.00 57.72 56.47 3hn3 n HIS 94 Cb 0.02 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 3hn3 n HIS 94 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hn3 n PHE 95 N 0.70 2.36 -4.03 4.41 7.35 -0.84 -5.02 117.46 122.39 3hn3 n PHE 95 Ca 0.23 0.46 -0.29 0.00 -0.76 0.00 0.00 57.45 57.09 3hn3 n PHE 95 Cb 0.83 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 38.03 3hn3 n PHE 95 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3hn3 s VAL 96 N -0.56 1.35 -5.00 -2.13 1.01 -1.26 -5.00 120.40 108.80 3hn3 s VAL 96 Ca 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3hn3 s VAL 96 Cb -0.58 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3hn3 s VAL 96 CO 0.56 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3hn3 n GLY 97 N 4.76 -0.25 3.74 4.51 0.00 -1.26 -5.02 105.19 111.67 3hn3 n GLY 97 Ca -0.16 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 3.42 0.06 1.61 0.52 -1.26 -2.31 118.94 117.06 3hn3 s TRP 98 Ca 0.00 0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.50 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 0.33 -0.00 0.14 0.02 0.00 0.00 176.95 177.43 3hn3 s VAL 99 N 0.25 4.04 -0.15 4.03 -7.23 -0.11 -1.80 120.40 119.43 3hn3 s VAL 99 Ca 0.09 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 3hn3 s VAL 99 Cb -0.11 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.95 3hn3 s VAL 99 CO -0.01 0.20 -0.21 0.26 -0.31 0.00 0.00 175.10 175.03 3hn3 s TRP 100 N -1.24 2.70 0.10 2.82 0.52 0.59 -0.74 118.94 123.69 3hn3 s TRP 100 Ca 0.24 -1.33 0.08 0.00 0.02 0.00 0.00 56.10 55.10 3hn3 s TRP 100 Cb -0.12 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 3hn3 s TRP 100 CO 0.16 -0.61 -0.14 0.71 0.02 0.00 0.00 176.95 177.08 3hn3 s TYR 101 N 0.87 2.64 -0.10 -1.98 2.02 0.29 -1.06 117.35 120.03 3hn3 s TYR 101 Ca -0.05 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.29 3hn3 s TYR 101 Cb -0.15 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3hn3 s TYR 101 CO -0.03 0.38 0.37 -2.00 -1.57 0.00 0.00 175.55 172.71 3hn3 s GLU 102 N -2.04 0.55 -0.01 -0.62 2.12 0.88 -1.07 118.70 118.50 3hn3 s GLU 102 Ca 0.19 0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 3hn3 s GLU 102 Cb -0.11 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.54 3hn3 s GLU 102 CO 0.11 -0.11 0.03 0.50 -0.54 0.00 0.00 175.26 175.25 3hn3 s ARG 103 N -0.36 0.08 -0.09 4.30 6.06 -0.57 -0.11 118.95 128.27 3hn3 s ARG 103 Ca -0.05 -0.03 -0.00 0.00 -2.50 0.00 0.00 55.73 53.14 3hn3 s ARG 103 Cb -0.03 0.03 -0.03 0.00 0.06 0.00 0.00 34.95 34.98 3hn3 s ARG 103 CO 0.02 -0.01 -0.05 -1.21 -2.50 0.00 0.00 175.30 171.55 3hn3 s GLU 104 N -0.17 2.96 -0.02 5.12 2.02 -1.26 -0.57 118.70 126.78 3hn3 s GLU 104 Ca -0.02 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.49 3hn3 s GLU 104 Cb -0.01 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 3hn3 s GLU 104 CO -0.00 0.59 -0.16 0.08 0.02 0.00 0.00 175.26 175.79 3hn3 s VAL 105 N -0.60 1.26 -0.33 2.63 1.01 0.86 -4.98 120.40 120.26 3hn3 s VAL 105 Ca 0.09 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3hn3 s VAL 105 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3hn3 s VAL 105 CO 0.02 0.36 0.29 -0.63 0.00 0.00 0.00 175.10 175.14 3hn3 s ILE 106 N -0.31 5.23 0.32 2.22 1.01 -1.26 -0.80 121.20 127.62 3hn3 s ILE 106 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 3hn3 s ILE 106 Cb -0.07 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 3hn3 s ILE 106 CO -0.00 -0.02 0.75 -0.76 0.00 0.00 0.00 174.94 174.91 3hn3 s LEU 107 N 1.87 4.07 0.27 2.97 1.02 -1.26 -5.03 118.68 122.58 3hn3 s LEU 107 Ca 0.09 1.30 -0.30 0.00 0.02 0.00 0.00 54.13 55.24 3hn3 s LEU 107 Cb -0.17 -4.09 -0.13 0.00 0.02 0.00 0.00 46.19 41.83 3hn3 s LEU 107 CO 0.11 -0.20 1.40 -2.65 0.02 0.00 0.00 176.35 175.02 3hn3 n PRO 108 N -0.34 2.13 0.09 1.29 -0.02 -1.26 -4.88 135.00 132.01 3hn3 n PRO 108 Ca 0.03 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 3hn3 n PRO 108 Cb 0.53 -2.40 0.47 0.00 -0.02 0.00 0.00 33.50 32.08 3hn3 n PRO 108 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hn3 h GLU 109 N 3.84 0.34 -0.86 -0.52 4.11 -2.00 -1.31 114.58 118.18 3hn3 h GLU 109 Ca -0.45 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.06 3hn3 h GLU 109 Cb 1.27 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 3hn3 h GLU 109 CO 0.73 0.27 0.55 -0.09 0.07 0.00 0.00 179.01 180.54 3hn3 h ARG 110 N 0.34 0.74 -0.67 1.06 9.65 -1.98 -0.19 114.38 123.34 3hn3 h ARG 110 Ca 0.09 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 3hn3 h ARG 110 Cb 0.05 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 3hn3 h ARG 110 CO -0.01 0.49 0.16 -1.49 2.80 0.00 0.00 179.97 181.92 3hn3 h TRP 111 N 0.77 1.13 0.00 2.20 4.06 -1.55 -2.36 115.95 120.20 3hn3 h TRP 111 Ca 0.41 -0.14 -0.06 0.00 2.06 0.00 0.00 58.89 61.16 3hn3 h TRP 111 Cb 0.52 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3hn3 h TRP 111 CO -0.00 0.93 -1.16 0.25 -3.56 0.00 0.00 178.44 174.89 3hn3 n THR 112 N -4.28 0.83 -0.11 1.49 -2.24 -0.74 -4.39 114.28 104.85 3hn3 n THR 112 Ca 0.04 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 3hn3 n THR 112 Cb 0.25 -0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 67.88 3hn3 n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hn3 n GLN 113 N -2.76 0.71 -2.82 -0.78 1.13 -0.16 -4.47 117.38 108.24 3hn3 n GLN 113 Ca -0.04 0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 3hn3 n GLN 113 Cb 0.66 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.51 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 -5.95 6.32 0.00 1.08 -1.08 -0.89 -4.93 116.67 111.23 3hn3 s ASP 114 Ca -0.25 -0.40 0.19 0.00 -0.52 0.00 0.00 52.55 51.57 3hn3 s ASP 114 Cb 0.07 -2.44 1.14 0.00 -1.46 0.00 0.00 42.92 40.23 3hn3 s ASP 114 CO 0.59 -1.27 1.58 0.18 0.52 0.00 0.00 175.17 176.77 3hn3 n LEU 115 N 7.57 0.00 -0.01 -1.34 4.77 -1.26 -1.68 117.00 125.05 3hn3 n LEU 115 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 3hn3 n LEU 115 Cb 0.47 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.23 3hn3 n LEU 115 CO 0.64 0.00 0.96 0.54 -1.33 0.00 0.00 177.39 178.21 3hn3 n ARG 116 N -0.90 0.22 -2.99 3.23 1.74 -1.26 -4.80 116.66 111.89 3hn3 n ARG 116 Ca 0.14 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 3hn3 n ARG 116 Cb 0.07 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.79 4.97 -0.22 0.55 2.01 -0.68 -3.39 115.64 116.08 3hn3 s THR 117 Ca 0.21 1.47 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 3hn3 s THR 117 Cb 0.20 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3hn3 s THR 117 CO 0.50 0.12 0.19 -0.60 -0.69 0.00 0.00 174.62 174.15 3hn3 s ARG 118 N 1.66 4.11 -0.17 4.92 3.52 -0.05 -4.89 118.95 128.06 3hn3 s ARG 118 Ca 0.36 -0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.75 3hn3 s ARG 118 Cb -0.17 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 3hn3 s ARG 118 CO 0.14 0.09 -0.06 0.08 -0.81 0.00 0.00 175.30 174.74 3hn3 s VAL 119 N 0.95 3.53 -0.05 7.11 1.01 -1.26 -1.68 120.40 130.01 3hn3 s VAL 119 Ca 0.10 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3hn3 s VAL 119 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3hn3 s VAL 119 CO 0.04 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 3hn3 s VAL 120 N 0.73 1.88 -0.26 2.92 1.01 0.94 -0.45 120.40 127.17 3hn3 s VAL 120 Ca -0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 3hn3 s VAL 120 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3hn3 s VAL 120 CO 0.02 0.53 0.11 -0.22 0.00 0.00 0.00 175.10 175.54 3hn3 s LEU 121 N -0.18 3.66 -0.17 3.92 2.96 -0.37 -0.62 118.68 127.88 3hn3 s LEU 121 Ca -0.02 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3hn3 s LEU 121 Cb -0.13 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3hn3 s LEU 121 CO 0.03 -0.06 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.30 3hn3 s ARG 122 N 1.65 3.37 -0.24 1.98 6.06 0.42 -1.87 118.95 130.32 3hn3 s ARG 122 Ca 0.06 -0.67 -0.05 0.00 -2.50 0.00 0.00 55.73 52.57 3hn3 s ARG 122 Cb -0.16 -2.77 -0.01 0.00 0.06 0.00 0.00 34.95 32.07 3hn3 s ARG 122 CO 0.06 0.05 0.01 0.42 -2.50 0.00 0.00 175.30 173.33 3hn3 s ILE 123 N 0.80 3.73 0.29 4.11 -1.09 0.13 -1.39 121.20 127.77 3hn3 s ILE 123 Ca -0.04 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 3hn3 s ILE 123 Cb -0.15 -2.74 0.23 0.00 -1.58 0.00 0.00 42.46 38.22 3hn3 s ILE 123 CO 0.01 0.35 1.93 1.23 -1.23 0.00 0.00 174.94 177.23 3hn3 h GLY 124 N 8.16 1.09 -3.15 6.18 0.00 -1.52 -1.26 103.07 112.58 3hn3 h GLY 124 Ca -0.39 -0.46 0.23 0.00 0.00 0.00 0.00 47.33 46.71 3hn3 h GLY 124 CO 0.59 0.45 0.69 -1.35 0.00 0.00 0.00 176.54 176.92 3hn3 s SER 125 N -6.37 -0.17 0.00 0.19 1.04 -1.26 -2.41 113.70 104.72 3hn3 s SER 125 Ca -0.11 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3hn3 s SER 125 Cb 0.17 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3hn3 s SER 125 CO 0.80 -0.45 0.00 0.00 0.98 0.00 0.00 173.24 174.56 3hn3 n ALA 126 N -0.30 0.00 -2.84 5.32 0.00 -1.26 -4.47 120.51 116.95 3hn3 n ALA 126 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 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 -0.15 0.00 -0.00 -1.26 -4.48 115.22 109.34 3hn3 n HIS 127 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 3hn3 n HIS 127 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 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 0.07 -4.56 0.26 0.02 -1.64 -2.64 113.55 105.07 3hn3 h SER 128 Ca 0.00 0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.77 3hn3 h SER 128 Cb 0.00 0.08 -0.23 0.00 0.14 0.00 0.00 62.40 62.39 3hn3 h SER 128 CO 0.00 0.07 -0.73 -0.47 -1.14 0.00 0.00 176.83 174.56 3hn3 s TYR 129 N -6.14 0.46 -0.02 3.45 5.04 -0.92 -0.81 117.35 118.41 3hn3 s TYR 129 Ca -0.13 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.10 3hn3 s TYR 129 Cb 0.14 -0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.17 3hn3 s TYR 129 CO 0.72 -0.09 0.05 0.00 -1.34 0.00 0.00 175.55 174.90 3hn3 s ALA 130 N -1.04 -0.10 -0.04 3.97 0.00 -0.37 0.03 121.76 124.21 3hn3 s ALA 130 Ca -0.08 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.13 3hn3 s ALA 130 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3hn3 s ALA 130 CO -0.00 -0.04 -0.23 0.42 0.00 0.00 0.00 175.76 175.91 3hn3 s ILE 131 N 0.23 1.83 -0.12 0.00 1.01 -0.34 -1.58 121.20 122.23 3hn3 s ILE 131 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3hn3 s ILE 131 Cb -0.03 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3hn3 s ILE 131 CO -0.01 0.51 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 3hn3 s VAL 132 N -0.27 2.45 -0.06 2.92 1.01 0.96 -1.10 120.40 126.32 3hn3 s VAL 132 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3hn3 s VAL 132 Cb -0.11 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hn3 s VAL 132 CO 0.02 0.54 -0.08 0.26 0.00 0.00 0.00 175.10 175.84 3hn3 s TRP 133 N 0.41 2.90 -0.20 5.22 0.51 0.86 -1.11 118.94 127.53 3hn3 s TRP 133 Ca -0.15 -0.01 -0.00 0.00 -2.12 0.00 0.00 56.10 53.83 3hn3 s TRP 133 Cb -0.17 -1.69 0.02 0.00 -0.81 0.00 0.00 33.47 30.82 3hn3 s TRP 133 CO 0.07 0.32 -0.15 0.08 -0.51 0.00 0.00 176.95 176.76 3hn3 s VAL 134 N -0.82 2.42 -1.58 4.03 1.01 0.47 -1.05 120.40 124.89 3hn3 s VAL 134 Ca 0.13 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3hn3 s VAL 134 Cb -0.11 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.26 3hn3 s VAL 134 CO 0.02 0.44 0.52 0.59 0.00 0.00 0.00 175.10 176.67 3hn3 n ASN 135 N 4.65 -1.46 0.00 3.32 3.02 0.40 -1.45 115.26 123.74 3hn3 n ASN 135 Ca -0.19 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3hn3 n ASN 135 Cb 0.49 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 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 -1.78 1.62 3.58 7.41 0.00 -1.25 -5.01 105.19 109.76 3hn3 n GLY 136 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 5.16 0.17 1.61 1.01 -0.53 -4.73 120.40 119.42 3hn3 s VAL 137 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.78 3hn3 s VAL 137 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 3hn3 s VAL 137 CO 0.00 0.28 1.59 1.51 0.00 0.00 0.00 175.10 178.48 3hn3 s ASP 138 N 1.61 6.56 0.00 3.32 1.47 -1.26 -0.39 116.67 127.98 3hn3 s ASP 138 Ca 0.07 2.66 0.00 0.00 1.18 0.00 0.00 52.55 56.45 3hn3 s ASP 138 Cb -0.15 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 3hn3 s ASP 138 CO 0.09 -0.84 0.00 0.41 0.68 0.00 0.00 175.17 175.51 3hn3 n THR 139 N 3.92 0.00 -3.64 2.11 -1.04 -0.27 -4.89 114.28 110.47 3hn3 n THR 139 Ca 0.14 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 3hn3 n THR 139 Cb 0.38 0.40 -0.07 0.00 -1.82 0.00 0.00 70.33 69.22 3hn3 n THR 139 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3hn3 s LEU 140 N -0.75 -0.84 0.09 -4.42 2.96 -1.16 -4.93 118.68 109.62 3hn3 s LEU 140 Ca 0.00 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3hn3 s LEU 140 Cb 0.00 2.37 -0.04 0.00 0.50 0.00 0.00 46.19 49.03 3hn3 s LEU 140 CO 0.00 -0.24 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.09 3hn3 s GLU 141 N 1.14 0.81 -0.20 1.98 2.02 -1.26 -0.03 118.70 123.17 3hn3 s GLU 141 Ca -0.06 -1.16 -0.17 0.00 0.02 0.00 0.00 54.97 53.60 3hn3 s GLU 141 Cb -0.05 -0.43 0.05 0.00 0.10 0.00 0.00 34.13 33.80 3hn3 s GLU 141 CO -0.12 0.05 0.52 -1.58 0.02 0.00 0.00 175.26 174.16 3hn3 s HIS 142 N -2.61 -0.62 -0.18 1.61 2.46 -0.62 -5.00 115.29 110.33 3hn3 s HIS 142 Ca 0.05 1.44 -0.08 0.00 0.47 0.00 0.00 55.06 56.95 3hn3 s HIS 142 Cb -0.02 0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.63 3hn3 s HIS 142 CO -0.01 -0.30 0.07 -2.00 -2.47 0.00 0.00 174.74 170.03 3hn3 s GLU 143 N 0.53 3.98 0.00 2.88 -6.30 -1.26 -1.24 118.70 117.29 3hn3 s GLU 143 Ca -0.02 -0.32 0.00 0.00 -2.50 0.00 0.00 54.97 52.13 3hn3 s GLU 143 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.85 3hn3 s GLU 143 CO -0.03 0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3hn3 n GLY 144 N 3.44 2.36 3.98 -1.50 0.00 0.01 -4.99 105.19 108.49 3hn3 n GLY 144 Ca -0.17 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 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 1.76 0.00 -0.02 0.00 -1.06 -4.30 107.32 103.70 3hn3 s GLY 145 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.11 3hn3 s GLY 145 CO 0.00 -1.06 0.00 -1.72 0.00 0.00 0.00 173.10 170.32 3hn3 n TYR 146 N -2.87 0.00 -4.12 1.90 4.01 -1.26 -4.92 117.16 109.90 3hn3 n TYR 146 Ca 0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.73 3hn3 n TYR 146 Cb 0.60 -1.21 -0.14 0.00 -0.31 0.00 0.00 39.34 38.29 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 0.00 2.05 0.56 7.72 1.43 -1.26 -4.63 118.68 124.55 3hn3 s LEU 147 Ca 0.00 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3hn3 s LEU 147 Cb 0.00 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 3hn3 s LEU 147 CO 0.00 0.01 1.03 -2.16 0.23 0.00 0.00 176.35 175.47 3hn3 s PRO 148 N -0.34 3.57 0.03 1.29 0.04 -1.01 -4.13 135.00 134.46 3hn3 s PRO 148 Ca -0.00 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 3hn3 s PRO 148 Cb -0.03 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3hn3 s PRO 148 CO -0.00 -0.60 0.28 -0.59 0.04 0.00 0.00 177.00 176.13 3hn3 s PHE 149 N -2.46 -0.09 0.21 0.56 -0.71 -0.48 -4.99 117.98 110.03 3hn3 s PHE 149 Ca 0.62 -0.02 -0.10 0.00 -1.04 0.00 0.00 56.93 56.39 3hn3 s PHE 149 Cb -0.14 0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.73 3hn3 s PHE 149 CO 0.33 -0.46 0.38 -1.83 -1.34 0.00 0.00 175.22 172.30 3hn3 s GLU 150 N -2.30 1.37 -0.13 1.99 -1.05 -1.26 -0.70 118.70 116.62 3hn3 s GLU 150 Ca -0.07 -1.25 -0.10 0.00 -0.15 0.00 0.00 54.97 53.40 3hn3 s GLU 150 Cb -0.02 0.42 0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3hn3 s GLU 150 CO -0.02 -0.54 0.34 0.00 0.95 0.00 0.00 175.26 175.99 3hn3 s ALA 151 N -4.01 -0.84 -0.32 -0.84 0.00 -0.78 -5.00 121.76 109.96 3hn3 s ALA 151 Ca 0.22 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3hn3 s ALA 151 Cb 0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 3hn3 s ALA 151 CO 0.06 -0.20 1.47 0.34 0.00 0.00 0.00 175.76 177.43 3hn3 s ASP 152 N 0.72 6.40 -0.23 0.00 -1.08 -1.26 -1.24 116.67 119.98 3hn3 s ASP 152 Ca -0.04 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.31 3hn3 s ASP 152 Cb -0.06 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.48 3hn3 s ASP 152 CO -0.05 -1.32 1.56 2.30 0.52 0.00 0.00 175.17 178.18 3hn3 n ILE 153 N 6.70 2.53 -0.21 4.11 -5.35 0.40 -4.71 119.36 122.83 3hn3 n ILE 153 Ca 0.17 -1.88 -0.00 0.00 -0.27 0.00 0.00 62.75 60.77 3hn3 n ILE 153 Cb 0.47 -0.29 0.11 0.00 -1.74 0.00 0.00 39.64 38.18 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 2.20 0.36 -0.88 7.28 0.02 -1.90 -1.59 113.55 119.04 3hn3 h SER 154 Ca 0.08 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3hn3 h SER 154 Cb 1.74 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.22 3hn3 h SER 154 CO 0.39 0.22 0.56 -0.55 -1.14 0.00 0.00 176.83 176.31 3hn3 h ASN 155 N 0.52 0.90 1.80 3.07 -1.07 -1.93 0.20 115.58 119.07 3hn3 h ASN 155 Ca 0.31 0.01 -0.04 0.00 0.07 0.00 0.00 56.30 56.64 3hn3 h ASN 155 Cb 0.31 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.37 3hn3 h ASN 155 CO -0.25 0.59 -0.20 -0.07 0.07 0.00 0.00 177.43 177.57 3hn3 h LEU 156 N 1.05 0.00 0.00 6.14 3.38 -1.71 -3.21 115.31 120.95 3hn3 h LEU 156 Ca 0.37 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.06 3hn3 h LEU 156 Cb 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3hn3 h LEU 156 CO -0.15 0.19 -1.68 0.58 0.09 0.00 0.00 178.44 177.47 3hn3 h VAL 157 N 0.00 0.85 -0.42 1.22 2.07 -0.94 -3.38 116.25 115.66 3hn3 h VAL 157 Ca -0.00 -2.69 -0.10 0.00 0.82 0.00 0.00 66.70 64.73 3hn3 h VAL 157 Cb 1.14 2.41 -0.06 0.00 -1.52 0.00 0.00 31.29 33.27 3hn3 h VAL 157 CO 0.02 0.49 0.06 0.00 0.02 0.00 0.00 177.57 178.16 3hn3 n GLN 158 N -3.05 2.93 -2.69 1.57 6.02 0.03 -4.71 117.38 117.48 3hn3 n GLN 158 Ca -0.16 -3.00 -0.05 0.00 -0.01 0.00 0.00 57.00 53.78 3hn3 n GLN 158 Cb 1.04 -1.95 0.11 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.54 0.00 -2.89 5.09 3.14 -1.21 -4.99 118.33 116.93 3hn3 n VAL 159 Ca 0.30 -0.97 -0.25 0.00 -2.96 0.00 0.00 64.34 60.45 3hn3 n VAL 159 Cb 1.07 1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 35.05 3hn3 n VAL 159 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3hn3 n SER 164 N 0.45 3.97 -4.39 6.55 7.64 -1.26 -4.71 113.62 121.87 3hn3 n SER 164 Ca -0.01 -3.58 -0.31 0.00 1.01 0.00 0.00 58.87 55.98 3hn3 n SER 164 Cb 0.74 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 3hn3 n SER 164 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hn3 s ARG 165 N -3.34 1.98 -0.20 1.43 0.52 -1.26 -4.70 118.95 113.37 3hn3 s ARG 165 Ca 0.47 -1.02 -0.25 0.00 -0.52 0.00 0.00 55.73 54.41 3hn3 s ARG 165 Cb 0.31 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 3hn3 s ARG 165 CO -0.14 0.53 0.81 -1.17 0.02 0.00 0.00 175.30 175.36 3hn3 s LEU 166 N -1.22 4.14 -0.28 2.53 2.96 0.02 -4.92 118.68 121.91 3hn3 s LEU 166 Ca 0.13 1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.06 3hn3 s LEU 166 Cb -0.10 -3.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 3hn3 s LEU 166 CO 0.03 -0.43 0.09 -0.60 -1.32 0.00 0.00 176.35 174.12 3hn3 s ARG 167 N 2.37 3.33 -0.25 1.98 3.52 -1.26 -0.10 118.95 128.55 3hn3 s ARG 167 Ca 0.36 -0.70 -0.07 0.00 -0.13 0.00 0.00 55.73 55.19 3hn3 s ARG 167 Cb -0.16 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3hn3 s ARG 167 CO 0.10 -0.35 0.07 0.42 -0.81 0.00 0.00 175.30 174.74 3hn3 s ILE 168 N 1.56 4.35 -0.11 4.11 1.01 0.27 -0.45 121.20 131.94 3hn3 s ILE 168 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3hn3 s ILE 168 Cb -0.16 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 3hn3 s ILE 168 CO 0.03 0.34 -0.21 -0.89 0.00 0.00 0.00 174.94 174.22 3hn3 s THR 169 N 1.57 2.35 -0.13 2.92 2.01 -0.21 -1.51 115.64 122.64 3hn3 s THR 169 Ca 0.06 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 3hn3 s THR 169 Cb -0.15 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.47 3hn3 s THR 169 CO 0.04 0.55 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.82 3hn3 s ILE 170 N 0.33 1.06 -0.18 1.82 1.01 -0.23 -0.09 121.20 124.92 3hn3 s ILE 170 Ca -0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3hn3 s ILE 170 Cb -0.17 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3hn3 s ILE 170 CO 0.08 0.28 0.10 0.00 0.00 0.00 0.00 174.94 175.40 3hn3 s ALA 171 N 1.68 3.59 -0.10 9.38 0.00 -0.25 -0.55 121.76 135.51 3hn3 s ALA 171 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3hn3 s ALA 171 Cb -0.14 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.98 3hn3 s ALA 171 CO -0.08 0.25 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 3hn3 s ILE 172 N 0.13 1.46 -0.18 0.00 1.01 0.08 -1.20 121.20 122.50 3hn3 s ILE 172 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3hn3 s ILE 172 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3hn3 s ILE 172 CO -0.00 0.43 0.10 0.21 0.00 0.00 0.00 174.94 175.67 3hn3 s ASN 173 N 0.95 5.93 -0.09 3.58 3.84 0.10 -0.94 114.94 128.32 3hn3 s ASN 173 Ca -0.08 0.19 0.14 0.00 0.21 0.00 0.00 52.86 53.33 3hn3 s ASN 173 Cb -0.15 -2.00 0.47 0.00 -0.55 0.00 0.00 41.25 39.02 3hn3 s ASN 173 CO -0.01 0.22 1.39 -0.46 -2.79 0.00 0.00 177.10 175.45 3hn3 n ASN 174 N 3.26 3.65 -4.71 -4.21 6.94 -0.98 -1.84 115.26 117.38 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 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.50 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 4.69 -0.07 5.53 2.01 -1.26 -4.84 115.64 119.88 3hn3 s THR 175 Ca 0.36 1.94 -0.06 0.00 0.31 0.00 0.00 61.69 64.23 3hn3 s THR 175 Cb 0.24 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3hn3 s THR 175 CO 0.15 0.12 0.18 -0.76 -0.69 0.00 0.00 174.62 173.62 3hn3 s LEU 176 N 1.24 4.39 0.24 4.42 1.43 -1.26 -4.77 118.68 124.37 3hn3 s LEU 176 Ca 0.53 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3hn3 s LEU 176 Cb -0.22 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3hn3 s LEU 176 CO 0.26 0.35 0.16 0.42 0.23 0.00 0.00 176.35 177.76 3hn3 s THR 177 N -1.15 0.07 -0.78 5.49 -4.23 -1.20 -4.01 115.64 109.83 3hn3 s THR 177 Ca 0.20 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3hn3 s THR 177 Cb -0.13 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3hn3 s THR 177 CO 0.10 0.00 0.90 -2.65 -0.54 0.00 0.00 174.62 172.43 3hn3 n PRO 178 N -0.37 0.00 -0.04 3.99 -0.02 -0.72 -1.70 135.00 136.15 3hn3 n PRO 178 Ca 0.03 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3hn3 n PRO 178 Cb 0.65 -1.61 0.03 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.40 1.01 -2.87 3.45 -2.24 -1.26 -4.65 114.28 106.32 3hn3 n THR 179 Ca -0.00 -1.10 -0.24 0.00 -2.27 0.00 0.00 64.05 60.44 3hn3 n THR 179 Cb 0.11 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.23 4.17 -0.25 4.28 -4.23 -0.93 -4.90 115.64 112.55 3hn3 s THR 180 Ca 0.07 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3hn3 s THR 180 Cb 0.06 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.40 3hn3 s THR 180 CO 0.01 -0.45 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.85 3hn3 s LEU 181 N -4.64 2.54 0.58 4.79 1.43 -1.26 -1.35 118.68 120.77 3hn3 s LEU 181 Ca 0.48 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 3hn3 s LEU 181 Cb -0.10 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3hn3 s LEU 181 CO 0.40 -0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.63 3hn3 s PRO 182 N 1.43 3.30 0.81 1.29 0.04 -1.14 -4.62 135.00 136.11 3hn3 s PRO 182 Ca -0.02 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 3hn3 s PRO 182 Cb -0.19 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.41 3hn3 s PRO 182 CO -0.08 -0.85 1.10 -1.25 0.04 0.00 0.00 177.00 175.96 3hn3 s PRO 183 N -3.73 2.00 0.37 0.56 0.04 -0.46 -4.60 135.00 129.19 3hn3 s PRO 183 Ca 0.67 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 3hn3 s PRO 183 Cb -0.19 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.50 3hn3 s PRO 183 CO 0.32 -1.66 0.83 0.41 0.04 0.00 0.00 177.00 176.94 3hn3 n GLY 184 N -2.18 0.92 3.22 0.56 0.00 -0.69 -4.61 105.19 102.41 3hn3 n GLY 184 Ca 0.07 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 3hn3 n GLY 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hn3 s THR 185 N -2.09 1.14 -0.18 2.61 -4.23 -0.53 -1.75 115.64 110.62 3hn3 s THR 185 Ca 0.17 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3hn3 s THR 185 Cb -0.05 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 3hn3 s THR 185 CO 0.11 -0.54 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.95 3hn3 s ILE 186 N -2.48 3.39 -0.21 2.99 -1.09 -1.26 -0.21 121.20 122.33 3hn3 s ILE 186 Ca 0.09 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3hn3 s ILE 186 Cb -0.03 -2.49 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 3hn3 s ILE 186 CO 0.01 0.47 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.45 3hn3 s GLN 187 N 0.86 2.78 0.08 2.79 0.74 -0.29 -4.97 119.66 121.64 3hn3 s GLN 187 Ca -0.02 -0.98 -0.28 0.00 0.05 0.00 0.00 55.36 54.13 3hn3 s GLN 187 Cb -0.15 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.22 3hn3 s GLN 187 CO 0.01 -0.32 0.89 0.71 -0.55 0.00 0.00 175.29 176.03 3hn3 s TYR 188 N 1.24 3.77 -0.27 1.67 1.51 -1.26 -1.17 117.35 122.85 3hn3 s TYR 188 Ca 0.01 1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 57.72 3hn3 s TYR 188 Cb -0.15 -2.97 0.03 0.00 -0.11 0.00 0.00 41.96 38.76 3hn3 s TYR 188 CO -0.10 0.22 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.01 3hn3 s LEU 189 N 0.04 3.47 -0.13 -1.29 1.43 -0.74 -4.99 118.68 116.47 3hn3 s LEU 189 Ca 0.44 -1.01 0.15 0.00 -1.03 0.00 0.00 54.13 52.68 3hn3 s LEU 189 Cb -0.22 -1.69 0.49 0.00 0.03 0.00 0.00 46.19 44.81 3hn3 s LEU 189 CO 0.27 -0.18 1.40 0.35 0.23 0.00 0.00 176.35 178.43 3hn3 n THR 190 N 4.66 1.94 -2.53 5.49 -2.24 -1.26 -4.45 114.28 115.89 3hn3 n THR 190 Ca -0.15 -1.59 -0.42 0.00 -2.27 0.00 0.00 64.05 59.62 3hn3 n THR 190 Cb 0.46 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.58 6.30 0.00 3.42 -1.08 -1.26 -4.88 116.67 117.59 3hn3 s ASP 191 Ca 0.38 -0.00 0.25 0.00 -0.52 0.00 0.00 52.55 52.66 3hn3 s ASP 191 Cb 0.29 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.46 3hn3 s ASP 191 CO 0.12 -1.63 1.83 0.35 0.52 0.00 0.00 175.17 176.36 3hn3 n THR 192 N 6.64 0.20 0.46 1.71 -2.24 -1.26 -1.13 114.28 118.65 3hn3 n THR 192 Ca 0.08 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3hn3 n THR 192 Cb 0.49 -0.64 0.20 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.00 -3.38 113.55 116.23 3hn3 h SER 193 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3hn3 h SER 193 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hn3 h SER 193 CO 0.00 0.05 -0.93 0.29 -0.87 0.00 0.00 176.83 175.37 3hn3 n LYS 194 N -2.38 0.67 -3.97 4.77 5.02 -0.97 -5.07 118.16 116.24 3hn3 n LYS 194 Ca 0.03 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 3hn3 n LYS 194 Cb 0.47 -0.97 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 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 -1.94 0.21 0.75 2.13 1.51 -0.29 -5.09 117.35 114.64 3hn3 s TYR 195 Ca -0.00 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 3hn3 s TYR 195 Cb 0.00 -0.14 0.05 0.00 -0.11 0.00 0.00 41.96 41.76 3hn3 s TYR 195 CO 0.02 -0.06 1.09 -1.25 -1.11 0.00 0.00 175.55 174.24 3hn3 s PRO 196 N -0.57 2.36 0.02 -1.71 0.04 -1.26 -4.09 135.00 129.79 3hn3 s PRO 196 Ca -0.05 1.19 -0.34 0.00 0.04 0.00 0.00 61.00 61.84 3hn3 s PRO 196 Cb -0.04 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 3hn3 s PRO 196 CO -0.00 -1.57 1.74 1.17 0.04 0.00 0.00 177.00 178.38 3hn3 n LYS 197 N -3.36 2.16 -0.35 4.56 4.81 -1.26 -1.75 118.16 122.96 3hn3 n LYS 197 Ca 0.09 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3hn3 n LYS 197 Cb 0.53 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.98 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 3.94 0.71 3.72 3.14 0.00 -1.26 -5.03 105.19 110.41 3hn3 n GLY 198 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.09 2.66 -3.90 1.61 4.19 -0.72 -4.95 117.16 113.96 3hn3 n TYR 199 Ca 0.00 0.21 -0.09 0.00 3.31 0.00 0.00 57.90 61.33 3hn3 n TYR 199 Cb 0.00 -2.60 -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 0.51 0.22 0.11 2.98 -0.71 -1.26 -1.80 117.98 118.03 3hn3 s PHE 200 Ca 0.70 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.96 3hn3 s PHE 200 Cb -0.54 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 3hn3 s PHE 200 CO 0.42 -0.53 -0.08 0.14 -1.34 0.00 0.00 175.22 173.82 3hn3 s VAL 201 N -3.88 0.88 -0.32 -2.49 -7.23 -0.32 -4.97 120.40 102.08 3hn3 s VAL 201 Ca 0.06 -1.89 -0.16 0.00 -1.81 0.00 0.00 61.98 58.18 3hn3 s VAL 201 Cb 0.05 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 3hn3 s VAL 201 CO -0.10 -0.76 0.43 -1.58 -0.31 0.00 0.00 175.10 172.77 3hn3 s GLN 202 N -3.54 3.76 -0.05 4.82 2.00 -1.26 -1.14 119.66 124.26 3hn3 s GLN 202 Ca 0.11 -0.13 -0.16 0.00 -2.00 0.00 0.00 55.36 53.18 3hn3 s GLN 202 Cb 0.02 -3.75 -0.05 0.00 0.80 0.00 0.00 33.01 30.03 3hn3 s GLN 202 CO -0.02 -0.47 0.42 -0.80 -0.50 0.00 0.00 175.29 173.92 3hn3 s ASN 203 N 1.70 6.74 0.12 6.67 0.01 0.71 -4.98 114.94 125.92 3hn3 s ASN 203 Ca 0.16 0.88 0.02 0.00 -0.71 0.00 0.00 52.86 53.21 3hn3 s ASN 203 Cb -0.16 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 3hn3 s ASN 203 CO 0.11 0.21 -0.04 0.42 -1.51 0.00 0.00 177.10 176.29 3hn3 s THR 204 N -0.43 0.65 -0.14 1.60 -4.23 -1.26 -1.45 115.64 110.38 3hn3 s THR 204 Ca 0.24 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 58.96 3hn3 s THR 204 Cb -0.16 -1.83 0.43 0.00 1.34 0.00 0.00 72.50 72.28 3hn3 s THR 204 CO 0.12 -0.73 1.20 -1.22 -0.54 0.00 0.00 174.62 173.44 3hn3 n TYR 205 N -0.10 0.12 -4.22 3.99 4.01 -1.26 -5.03 117.16 114.66 3hn3 n TYR 205 Ca -0.10 -1.20 -0.20 0.00 -0.16 0.00 0.00 57.90 56.24 3hn3 n TYR 205 Cb 0.62 -0.22 -0.12 0.00 -0.31 0.00 0.00 39.34 39.30 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 -2.17 1.34 -0.97 -0.72 -0.12 -1.26 -4.10 117.98 109.97 3hn3 s PHE 206 Ca 0.37 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.80 3hn3 s PHE 206 Cb 0.38 -0.75 0.33 0.00 -0.63 0.00 0.00 43.02 42.34 3hn3 s PHE 206 CO -0.10 0.08 1.90 -3.47 -0.05 0.00 0.00 175.22 173.59 3hn3 n ASP 207 N 1.33 7.43 -3.59 1.98 2.03 -1.26 -4.86 116.55 119.60 3hn3 n ASP 207 Ca -0.20 -3.74 -0.15 0.00 0.52 0.00 0.00 54.79 51.22 3hn3 n ASP 207 Cb 0.54 -1.14 -0.06 0.00 -0.72 0.00 0.00 41.12 39.74 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 -4.24 -0.44 0.12 -0.67 -0.12 -1.26 -4.86 117.98 106.50 3hn3 s PHE 208 Ca 0.43 0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 57.62 3hn3 s PHE 208 Cb 0.27 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.92 3hn3 s PHE 208 CO -0.23 -0.59 1.13 0.12 -0.05 0.00 0.00 175.22 175.60 3hn3 s PHE 209 N -1.95 3.54 -1.34 3.49 5.36 -0.79 -4.63 117.98 121.65 3hn3 s PHE 209 Ca -0.08 1.49 -0.08 0.00 -0.96 0.00 0.00 56.93 57.30 3hn3 s PHE 209 Cb -0.01 -3.32 -0.08 0.00 -0.34 0.00 0.00 43.02 39.27 3hn3 s PHE 209 CO 0.02 -0.82 2.71 -1.71 -1.46 0.00 0.00 175.22 173.96 3hn3 n ASN 210 N 3.10 7.41 -4.56 6.13 5.15 -1.26 -4.95 115.26 126.29 3hn3 n ASN 210 Ca 0.05 -2.48 -0.37 0.00 -0.60 0.00 0.00 54.58 51.18 3hn3 n ASN 210 Cb 0.47 -1.40 0.07 0.00 -0.53 0.00 0.00 39.78 38.38 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 3.74 0.14 -4.08 1.20 4.01 -1.26 -5.04 117.16 115.86 3hn3 n TYR 211 Ca 0.66 0.40 -0.10 0.00 -0.16 0.00 0.00 57.90 58.70 3hn3 n TYR 211 Cb 0.22 -2.03 -0.09 0.00 -0.31 0.00 0.00 39.34 37.13 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 -1.75 0.53 0.00 -0.72 0.00 -1.26 -5.04 121.76 113.53 3hn3 s ALA 212 Ca 0.72 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3hn3 s ALA 212 Cb -0.38 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3hn3 s ALA 212 CO 0.52 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3hn3 n GLY 213 N -0.18 0.96 3.39 0.00 0.00 -1.26 -0.40 105.19 107.70 3hn3 n GLY 213 Ca -0.05 -1.91 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 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 5.86 0.00 0.99 1.43 -1.22 -4.62 118.68 121.11 3hn3 s LEU 214 Ca 0.00 -2.47 0.27 0.00 -1.03 0.00 0.00 54.13 50.90 3hn3 s LEU 214 Cb 0.00 -2.31 0.85 0.00 0.03 0.00 0.00 46.19 44.76 3hn3 s LEU 214 CO 0.00 -0.79 1.63 0.00 0.23 0.00 0.00 176.35 177.42 3hn3 n GLN 215 N 5.17 0.66 -4.24 1.70 6.02 -1.23 -1.33 117.38 124.12 3hn3 n GLN 215 Ca 0.20 -0.35 -0.14 0.00 -0.01 0.00 0.00 57.00 56.71 3hn3 n GLN 215 Cb 0.47 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.58 1.05 0.32 -1.09 0.52 -1.26 -1.40 118.95 114.51 3hn3 s ARG 216 Ca 0.23 -1.47 -0.29 0.00 -0.52 0.00 0.00 55.73 53.68 3hn3 s ARG 216 Cb 0.19 -0.47 -0.12 0.00 0.52 0.00 0.00 34.95 35.07 3hn3 s ARG 216 CO 0.53 -0.00 1.39 0.43 0.02 0.00 0.00 175.30 177.67 3hn3 n SER 217 N -0.20 3.08 -4.44 0.23 7.64 -1.26 -4.42 113.62 114.25 3hn3 n SER 217 Ca -0.09 1.19 -0.33 0.00 1.01 0.00 0.00 58.87 60.64 3hn3 n SER 217 Cb 0.61 -1.51 -0.13 0.00 -1.01 0.00 0.00 64.21 62.17 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 -0.71 3.38 0.15 0.44 1.01 -1.26 -1.63 120.40 121.77 3hn3 s VAL 218 Ca 0.59 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3hn3 s VAL 218 Cb -0.56 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3hn3 s VAL 218 CO 0.58 0.52 0.24 -1.48 0.00 0.00 0.00 175.10 174.97 3hn3 s LEU 219 N 0.19 1.13 -0.06 3.92 2.34 -0.49 -0.58 118.68 125.13 3hn3 s LEU 219 Ca -0.05 -0.85 -0.01 0.00 0.06 0.00 0.00 54.13 53.27 3hn3 s LEU 219 Cb -0.15 1.08 -0.03 0.00 -0.56 0.00 0.00 46.19 46.53 3hn3 s LEU 219 CO 0.04 -0.84 0.02 -0.76 -1.06 0.00 0.00 176.35 173.75 3hn3 s LEU 220 N -2.95 3.67 0.13 1.48 1.43 -0.10 -0.44 118.68 121.90 3hn3 s LEU 220 Ca 0.15 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3hn3 s LEU 220 Cb 0.04 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3hn3 s LEU 220 CO -0.02 0.34 0.13 -0.72 0.23 0.00 0.00 176.35 176.31 3hn3 s TYR 221 N -0.99 0.62 0.12 0.29 -0.85 0.21 -0.10 117.35 116.66 3hn3 s TYR 221 Ca 0.16 -1.02 0.09 0.00 -0.52 0.00 0.00 57.07 55.78 3hn3 s TYR 221 Cb -0.12 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 3hn3 s TYR 221 CO 0.06 -0.57 -0.21 0.95 -1.52 0.00 0.00 175.55 174.26 3hn3 s THR 222 N -3.99 1.79 0.25 -3.49 -4.23 -0.70 -0.04 115.64 105.23 3hn3 s THR 222 Ca 0.19 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3hn3 s THR 222 Cb 0.06 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3hn3 s THR 222 CO -0.01 -0.12 0.16 0.42 -0.54 0.00 0.00 174.62 174.54 3hn3 s THR 223 N -1.39 0.10 0.96 3.99 -4.23 -0.68 -3.62 115.64 110.76 3hn3 s THR 223 Ca 0.10 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 3hn3 s THR 223 Cb -0.09 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.40 3hn3 s THR 223 CO 0.05 0.00 1.09 -2.84 -0.54 0.00 0.00 174.62 172.38 3hn3 s PRO 224 N -3.95 0.76 0.41 3.99 0.02 -1.26 -0.87 135.00 134.10 3hn3 s PRO 224 Ca 0.39 0.81 0.29 0.00 0.02 0.00 0.00 61.00 62.50 3hn3 s PRO 224 Cb 0.06 -1.75 1.13 0.00 0.02 0.00 0.00 34.50 33.95 3hn3 s PRO 224 CO 0.16 -2.58 1.85 1.79 -0.33 0.00 0.00 177.00 177.89 3hn3 h THR 225 N -1.80 0.00 -3.30 0.99 1.35 -1.90 -3.38 112.91 104.89 3hn3 h THR 225 Ca -0.52 -0.43 -0.66 0.00 -0.55 0.00 0.00 66.41 64.25 3hn3 h THR 225 Cb 1.30 1.33 -0.29 0.00 -1.73 0.00 0.00 68.15 68.76 3hn3 h THR 225 CO 0.54 0.00 -0.78 -0.89 -0.25 0.00 0.00 175.52 174.14 3hn3 s THR 226 N -3.47 2.90 0.11 6.82 2.01 -1.26 -4.35 115.64 118.40 3hn3 s THR 226 Ca 0.03 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 3hn3 s THR 226 Cb 0.09 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3hn3 s THR 226 CO 0.50 0.49 0.27 -0.72 -0.69 0.00 0.00 174.62 174.47 3hn3 s TYR 227 N 0.94 0.07 -0.36 4.92 1.13 -0.68 -4.83 117.35 118.55 3hn3 s TYR 227 Ca -0.02 -0.46 -0.29 0.00 -1.41 0.00 0.00 57.07 54.89 3hn3 s TYR 227 Cb -0.15 0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.75 3hn3 s TYR 227 CO -0.01 -0.62 1.51 0.42 -2.51 0.00 0.00 175.55 174.34 3hn3 s ILE 228 N -3.86 3.80 -0.10 -3.49 1.01 -1.26 -2.20 121.20 115.10 3hn3 s ILE 228 Ca 0.06 0.84 0.12 0.00 0.00 0.00 0.00 60.65 61.67 3hn3 s ILE 228 Cb 0.04 -4.02 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 3hn3 s ILE 228 CO -0.10 -0.60 0.43 -0.67 0.00 0.00 0.00 174.94 173.99 3hn3 n ASP 229 N 9.00 0.79 -3.65 3.58 2.03 0.29 -4.97 116.55 123.62 3hn3 n ASP 229 Ca 0.18 0.25 -0.15 0.00 0.52 0.00 0.00 54.79 55.59 3hn3 n ASP 229 Cb 0.47 0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.94 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 -6.03 -0.50 -0.01 1.67 -1.08 -1.12 -3.63 116.67 105.98 3hn3 s ASP 230 Ca -0.09 0.72 0.02 0.00 -0.52 0.00 0.00 52.55 52.67 3hn3 s ASP 230 Cb 0.07 0.73 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 3hn3 s ASP 230 CO 0.81 -0.39 -0.05 -0.63 0.52 0.00 0.00 175.17 175.43 3hn3 s ILE 231 N -0.60 0.44 -0.08 4.11 1.01 -1.26 -1.23 121.20 123.60 3hn3 s ILE 231 Ca -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3hn3 s ILE 231 Cb -0.03 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.06 3hn3 s ILE 231 CO 0.05 0.14 -0.08 -0.89 0.00 0.00 0.00 174.94 174.16 3hn3 s THR 232 N 0.12 0.91 -0.04 2.92 2.01 0.02 -4.94 115.64 116.63 3hn3 s THR 232 Ca -0.01 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.77 3hn3 s THR 232 Cb -0.05 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3hn3 s THR 232 CO -0.00 0.33 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.36 3hn3 s VAL 233 N 1.26 1.72 0.08 3.82 1.01 -1.26 -0.86 120.40 126.17 3hn3 s VAL 233 Ca -0.04 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.11 3hn3 s VAL 233 Cb -0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3hn3 s VAL 233 CO -0.03 0.49 -0.16 0.42 0.00 0.00 0.00 175.10 175.82 3hn3 s THR 234 N -0.13 1.30 -0.01 3.92 -4.23 -0.78 -4.78 115.64 110.94 3hn3 s THR 234 Ca -0.02 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 3hn3 s THR 234 Cb -0.12 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 3hn3 s THR 234 CO 0.02 -0.18 -0.19 0.42 -0.54 0.00 0.00 174.62 174.16 3hn3 s THR 235 N -1.26 1.49 0.29 3.99 -4.23 -1.26 -1.13 115.64 113.53 3hn3 s THR 235 Ca 0.01 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 3hn3 s THR 235 Cb -0.10 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 3hn3 s THR 235 CO 0.03 0.38 0.25 -0.94 -0.54 0.00 0.00 174.62 173.79 3hn3 s SER 236 N -0.55 1.17 -0.02 3.99 1.04 -0.37 -4.58 113.70 114.37 3hn3 s SER 236 Ca 0.07 -1.63 0.04 0.00 0.48 0.00 0.00 55.95 54.92 3hn3 s SER 236 Cb -0.07 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3hn3 s SER 236 CO -0.00 -1.01 -0.15 0.54 0.98 0.00 0.00 173.24 173.60 3hn3 s VAL 237 N -3.65 1.23 -0.21 5.02 0.11 -1.26 -0.79 120.40 120.84 3hn3 s VAL 237 Ca 0.40 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3hn3 s VAL 237 Cb 0.04 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3hn3 s VAL 237 CO 0.22 0.35 -0.12 -1.61 -3.33 0.00 0.00 175.10 170.62 3hn3 s GLU 238 N -0.19 2.23 2.16 1.54 0.41 -0.15 -4.97 118.70 119.73 3hn3 s GLU 238 Ca 0.02 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.60 3hn3 s GLU 238 Cb -0.08 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3hn3 s GLU 238 CO 0.00 -0.44 0.00 1.04 -0.49 0.00 0.00 175.26 175.37 3hn3 n GLN 239 N 4.60 0.00 -0.55 1.61 3.00 -1.26 0.11 117.38 124.90 3hn3 n GLN 239 Ca -0.15 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.92 3hn3 n GLN 239 Cb 0.46 0.00 0.30 0.00 0.00 0.00 0.00 30.24 30.99 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 5.40 4.35 -4.89 1.08 5.75 -1.26 -4.96 116.55 122.02 3hn3 n ASP 240 Ca 0.00 -2.80 -0.35 0.00 -0.01 0.00 0.00 54.79 51.63 3hn3 n ASP 240 Cb 0.00 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.49 3hn3 n ASP 240 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hn3 s SER 241 N -1.41 6.44 -0.10 -1.12 0.15 0.31 -2.53 113.70 115.43 3hn3 s SER 241 Ca 0.44 0.48 -0.10 0.00 0.70 0.00 0.00 55.95 57.47 3hn3 s SER 241 Cb 0.33 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.54 3hn3 s SER 241 CO 0.14 0.28 0.23 -0.83 1.20 0.00 0.00 173.24 174.26 3hn3 s GLY 242 N -1.67 2.24 -0.19 9.45 0.00 0.33 -0.97 107.32 116.50 3hn3 s GLY 242 Ca 0.26 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.47 3hn3 s GLY 242 CO 0.15 -0.07 -0.18 1.08 0.00 0.00 0.00 173.10 174.08 3hn3 s LEU 243 N -0.67 2.30 -0.39 0.66 1.43 0.03 0.56 118.68 122.61 3hn3 s LEU 243 Ca 0.17 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3hn3 s LEU 243 Cb -0.13 -1.51 0.10 0.00 0.03 0.00 0.00 46.19 44.68 3hn3 s LEU 243 CO 0.06 -0.02 0.16 -0.69 0.23 0.00 0.00 176.35 176.09 3hn3 s VAL 244 N 1.29 3.19 -0.06 -1.59 1.01 -0.05 -1.23 120.40 122.96 3hn3 s VAL 244 Ca 0.04 -1.96 -0.28 0.00 0.00 0.00 0.00 61.98 59.79 3hn3 s VAL 244 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3hn3 s VAL 244 CO -0.12 -0.59 0.90 0.20 0.00 0.00 0.00 175.10 175.49 3hn3 s ASN 245 N 1.67 7.19 0.10 3.32 -0.87 -0.29 -0.56 114.94 125.51 3hn3 s ASN 245 Ca 0.06 1.45 0.08 0.00 -1.57 0.00 0.00 52.86 52.89 3hn3 s ASN 245 Cb -0.22 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 3hn3 s ASN 245 CO -0.04 -0.28 -0.22 -0.72 -2.57 0.00 0.00 177.10 173.27 3hn3 s TYR 246 N 1.33 1.84 -0.04 2.20 1.13 -0.48 -1.87 117.35 121.46 3hn3 s TYR 246 Ca 0.46 -0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 55.69 3hn3 s TYR 246 Cb -0.19 -1.01 0.03 0.00 -1.10 0.00 0.00 41.96 39.70 3hn3 s TYR 246 CO 0.21 0.22 0.07 -1.14 -2.51 0.00 0.00 175.55 172.40 3hn3 s GLN 247 N -1.92 -0.01 -0.03 -3.49 0.74 -0.04 -1.75 119.66 113.16 3hn3 s GLN 247 Ca 0.07 0.29 0.07 0.00 0.05 0.00 0.00 55.36 55.84 3hn3 s GLN 247 Cb -0.10 -0.28 -0.01 0.00 1.10 0.00 0.00 33.01 33.71 3hn3 s GLN 247 CO 0.04 -0.21 -0.22 0.42 -0.55 0.00 0.00 175.29 174.77 3hn3 s ILE 248 N 1.38 1.79 -0.09 -2.34 1.01 0.27 -0.80 121.20 122.42 3hn3 s ILE 248 Ca -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.68 3hn3 s ILE 248 Cb -0.12 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3hn3 s ILE 248 CO -0.04 0.51 -0.24 -0.55 0.00 0.00 0.00 174.94 174.62 3hn3 s SER 249 N -0.42 3.13 -0.06 3.58 0.15 -0.36 -4.75 113.70 114.98 3hn3 s SER 249 Ca 0.06 -0.54 0.05 0.00 0.70 0.00 0.00 55.95 56.22 3hn3 s SER 249 Cb -0.10 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.92 3hn3 s SER 249 CO 0.00 0.18 -0.22 -0.69 1.20 0.00 0.00 173.24 173.71 3hn3 s VAL 250 N 0.21 2.35 0.17 4.45 1.01 -1.26 -0.55 120.40 126.79 3hn3 s VAL 250 Ca -0.15 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 60.96 3hn3 s VAL 250 Cb -0.17 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3hn3 s VAL 250 CO 0.08 0.57 -0.15 -0.54 0.00 0.00 0.00 175.10 175.06 3hn3 s LYS 251 N -0.32 1.88 0.00 2.72 1.02 -0.93 -4.92 119.74 119.18 3hn3 s LYS 251 Ca 0.02 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.70 3hn3 s LYS 251 Cb -0.13 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 3hn3 s LYS 251 CO 0.02 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 3hn3 n GLY 252 N 0.27 0.82 3.76 -3.33 0.00 -1.26 -1.68 105.19 103.77 3hn3 n GLY 252 Ca -0.12 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 7.00 -0.12 1.61 0.15 -1.26 -4.94 113.70 112.13 3hn3 s SER 253 Ca 0.00 2.48 0.11 0.00 0.70 0.00 0.00 55.95 59.25 3hn3 s SER 253 Cb 0.00 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.21 3hn3 s SER 253 CO 0.00 -0.36 1.37 -0.46 1.20 0.00 0.00 173.24 174.99 3hn3 n ASN 254 N 1.11 3.86 -4.12 5.45 0.23 -1.26 -4.71 115.26 115.81 3hn3 n ASN 254 Ca -0.00 -2.47 -0.36 0.00 -0.53 0.00 0.00 54.58 51.22 3hn3 n ASN 254 Cb 0.43 -0.55 -0.11 0.00 -2.08 0.00 0.00 39.78 37.47 3hn3 n ASN 254 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3hn3 s LEU 255 N -1.66 5.28 0.27 -4.53 2.96 -1.26 -5.07 118.68 114.67 3hn3 s LEU 255 Ca 0.37 -2.11 -0.21 0.00 -0.22 0.00 0.00 54.13 51.96 3hn3 s LEU 255 Cb 0.26 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3hn3 s LEU 255 CO 0.14 -0.54 0.69 0.72 -1.32 0.00 0.00 176.35 176.05 3hn3 s PHE 256 N 1.03 -0.18 0.08 5.38 -0.71 -1.26 -1.18 117.98 121.13 3hn3 s PHE 256 Ca 0.09 -0.26 0.05 0.00 -1.04 0.00 0.00 56.93 55.78 3hn3 s PHE 256 Cb -0.23 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 3hn3 s PHE 256 CO -0.04 -1.19 -0.15 -1.59 -1.34 0.00 0.00 175.22 170.91 3hn3 s LYS 257 N -3.91 0.86 -0.08 1.99 -2.85 0.12 -4.98 119.74 110.88 3hn3 s LYS 257 Ca 0.11 -0.99 0.05 0.00 -1.00 0.00 0.00 55.97 54.14 3hn3 s LYS 257 Cb -0.05 -0.87 -0.01 0.00 -2.06 0.00 0.00 37.83 34.84 3hn3 s LYS 257 CO 0.06 0.19 -0.24 -0.51 0.10 0.00 0.00 175.35 174.95 3hn3 s LEU 258 N -1.80 2.11 -0.09 2.77 1.43 -1.26 -0.98 118.68 120.86 3hn3 s LEU 258 Ca -0.01 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3hn3 s LEU 258 Cb -0.10 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3hn3 s LEU 258 CO 0.02 0.20 -0.17 -1.61 0.23 0.00 0.00 176.35 175.03 3hn3 s GLU 259 N 0.11 2.98 -0.07 1.70 2.02 -0.24 -2.13 118.70 123.06 3hn3 s GLU 259 Ca -0.12 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.15 3hn3 s GLU 259 Cb -0.16 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.63 3hn3 s GLU 259 CO 0.06 0.35 -0.16 0.08 0.02 0.00 0.00 175.26 175.61 3hn3 s VAL 260 N -0.02 1.41 0.06 2.63 1.01 -0.32 -0.76 120.40 124.40 3hn3 s VAL 260 Ca -0.05 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3hn3 s VAL 260 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3hn3 s VAL 260 CO 0.04 0.42 -0.26 -0.13 0.00 0.00 0.00 175.10 175.17 3hn3 s ARG 261 N 0.55 1.70 -0.23 2.72 0.52 -0.29 -0.32 118.95 123.60 3hn3 s ARG 261 Ca -0.16 -1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 53.88 3hn3 s ARG 261 Cb -0.16 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 3hn3 s ARG 261 CO 0.05 0.49 -0.02 -1.17 0.02 0.00 0.00 175.30 174.67 3hn3 s LEU 262 N -1.35 3.03 -0.08 2.53 2.96 -0.20 -0.26 118.68 125.31 3hn3 s LEU 262 Ca 0.12 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3hn3 s LEU 262 Cb -0.10 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3hn3 s LEU 262 CO 0.03 -0.04 0.08 -0.76 -1.32 0.00 0.00 176.35 174.34 3hn3 s LEU 263 N 1.49 4.00 0.00 -0.68 1.43 0.22 -1.09 118.68 124.05 3hn3 s LEU 263 Ca 0.05 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3hn3 s LEU 263 Cb -0.15 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.20 3hn3 s LEU 263 CO -0.02 0.37 0.85 -0.90 0.23 0.00 0.00 176.35 176.88 3hn3 n ASP 264 N 1.86 -0.42 -0.10 2.29 5.75 0.62 -0.98 116.55 125.57 3hn3 n ASP 264 Ca -0.18 -1.22 0.09 0.00 -0.01 0.00 0.00 54.79 53.47 3hn3 n ASP 264 Cb 0.54 -0.68 0.45 0.00 -1.03 0.00 0.00 41.12 40.40 3hn3 n ASP 264 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hn3 h ALA 265 N -2.03 1.89 -0.42 2.12 0.00 -1.90 0.21 119.26 119.13 3hn3 h ALA 265 Ca -0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hn3 h ALA 265 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hn3 h ALA 265 CO 0.20 -0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3hn3 n GLU 266 N -4.48 3.83 -2.81 0.00 1.02 -1.26 -4.93 120.64 112.01 3hn3 n GLU 266 Ca 0.09 -2.30 -0.20 0.00 -0.02 0.00 0.00 57.16 54.74 3hn3 n GLU 266 Cb 0.29 -2.06 0.02 0.00 -0.02 0.00 0.00 31.44 29.67 3hn3 n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hn3 n ASN 267 N 0.44 -5.60 -4.79 1.62 3.02 0.75 -5.01 115.26 105.69 3hn3 n ASN 267 Ca 0.20 -0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 3hn3 n ASN 267 Cb 0.95 -4.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.58 3hn3 n ASN 267 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3hn3 s LYS 268 N -5.43 4.16 -0.13 3.52 2.20 -1.26 -4.76 119.74 118.04 3hn3 s LYS 268 Ca 0.21 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 3hn3 s LYS 268 Cb -0.09 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3hn3 s LYS 268 CO 0.26 0.51 1.46 0.08 -0.36 0.00 0.00 175.35 177.31 3hn3 s VAL 269 N -0.58 3.92 -0.86 4.02 1.01 -1.26 -0.28 120.40 126.37 3hn3 s VAL 269 Ca 0.27 1.11 0.12 0.00 0.00 0.00 0.00 61.98 63.48 3hn3 s VAL 269 Cb -0.17 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3hn3 s VAL 269 CO 0.15 -0.13 0.61 1.33 0.00 0.00 0.00 175.10 177.06 3hn3 n VAL 270 N 5.56 0.00 -3.60 2.92 0.24 -0.25 -4.95 118.33 118.25 3hn3 n VAL 270 Ca 0.16 -0.30 -0.06 0.00 -2.04 0.00 0.00 64.34 62.10 3hn3 n VAL 270 Cb 0.44 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.82 -2.03 0.14 2.33 0.00 -1.22 -4.74 121.76 114.42 3hn3 s ALA 271 Ca 0.08 1.66 -0.21 0.00 0.00 0.00 0.00 51.96 53.49 3hn3 s ALA 271 Cb 0.09 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.50 3hn3 s ALA 271 CO 0.39 -0.38 0.52 0.54 0.00 0.00 0.00 175.76 176.83 3hn3 s ASN 272 N -1.44 -0.44 0.00 0.00 4.22 -1.26 -1.03 114.94 114.99 3hn3 s ASN 272 Ca 0.05 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.68 3hn3 s ASN 272 Cb -0.01 0.55 0.00 0.00 1.28 0.00 0.00 41.25 43.07 3hn3 s ASN 272 CO -0.04 -0.91 0.00 0.61 -2.04 0.00 0.00 177.10 174.73 3hn3 n GLY 273 N -0.25 2.61 3.53 0.45 0.00 0.56 -4.98 105.19 107.11 3hn3 n GLY 273 Ca -0.17 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.18 115.64 108.74 3hn3 s THR 274 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3hn3 s THR 274 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3hn3 s THR 274 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3hn3 n GLY 275 N -0.49 -1.58 0.10 3.99 0.00 -0.91 -4.42 105.19 101.89 3hn3 n GLY 275 Ca -0.00 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.74 0.75 -3.57 2.61 -2.24 -1.26 -4.76 114.28 104.06 3hn3 n THR 276 Ca 0.00 0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3hn3 n THR 276 Cb 0.00 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.21 1.06 -0.02 -0.78 -2.07 -1.26 0.96 119.66 114.34 3hn3 s GLN 277 Ca 0.07 -0.30 -0.10 0.00 -1.82 0.00 0.00 55.36 53.20 3hn3 s GLN 277 Cb 0.11 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 32.54 3hn3 s GLN 277 CO 0.43 -0.39 0.45 0.41 -1.32 0.00 0.00 175.29 174.87 3hn3 n GLY 278 N 0.28 0.39 2.73 2.60 0.00 -0.72 -4.89 105.19 105.59 3hn3 n GLY 278 Ca -0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 0.34 0.07 1.61 0.74 -1.26 -1.38 119.66 117.77 3hn3 s GLN 279 Ca 0.11 0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.60 3hn3 s GLN 279 Cb -0.00 -0.79 -0.06 0.00 1.10 0.00 0.00 33.01 33.25 3hn3 s GLN 279 CO -0.01 -0.31 0.45 -0.51 -0.55 0.00 0.00 175.29 174.36 3hn3 s LEU 280 N 2.05 4.41 -0.17 3.68 1.43 0.27 -4.92 118.68 125.43 3hn3 s LEU 280 Ca 0.05 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 3hn3 s LEU 280 Cb -0.12 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3hn3 s LEU 280 CO -0.04 0.22 -0.03 -0.75 0.23 0.00 0.00 176.35 175.97 3hn3 s LYS 281 N -1.56 3.63 -0.37 1.70 2.20 -1.26 -0.87 119.74 123.22 3hn3 s LYS 281 Ca 0.30 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 3hn3 s LYS 281 Cb -0.16 -2.95 0.09 0.00 -1.51 0.00 0.00 37.83 33.31 3hn3 s LYS 281 CO 0.17 0.17 0.12 0.08 -0.36 0.00 0.00 175.35 175.52 3hn3 s VAL 282 N 0.56 3.03 0.34 4.02 1.01 0.19 -4.73 120.40 124.83 3hn3 s VAL 282 Ca -0.03 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.75 3hn3 s VAL 282 Cb -0.14 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 3hn3 s VAL 282 CO 0.03 -0.51 1.33 -2.84 0.00 0.00 0.00 175.10 173.10 3hn3 s PRO 283 N 1.13 4.31 -1.34 2.72 0.02 -1.26 -0.51 135.00 140.07 3hn3 s PRO 283 Ca 0.05 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 3hn3 s PRO 283 Cb -0.21 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 3hn3 s PRO 283 CO -0.04 -0.24 0.58 0.41 -0.33 0.00 0.00 177.00 177.38 3hn3 n GLY 284 N 0.75 -0.29 3.76 0.52 0.00 -1.15 -4.86 105.19 103.91 3hn3 n GLY 284 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.79 2.41 -0.46 1.61 0.11 -1.05 -4.99 120.40 114.23 3hn3 s VAL 285 Ca 0.02 0.31 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 3hn3 s VAL 285 Cb -0.01 -3.16 0.04 0.00 -1.53 0.00 0.00 36.38 31.73 3hn3 s VAL 285 CO 0.85 -0.00 0.59 -0.44 -3.33 0.00 0.00 175.10 172.76 3hn3 s SER 286 N -1.09 6.25 0.61 3.54 0.01 -1.26 -4.94 113.70 116.83 3hn3 s SER 286 Ca 0.69 -0.66 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 3hn3 s SER 286 Cb -0.37 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3hn3 s SER 286 CO 0.43 -0.79 1.08 -0.76 0.41 0.00 0.00 173.24 173.62 3hn3 s LEU 287 N 2.60 3.48 -0.26 2.44 1.02 -1.26 -4.67 118.68 122.02 3hn3 s LEU 287 Ca 0.17 1.92 -0.26 0.00 0.02 0.00 0.00 54.13 55.99 3hn3 s LEU 287 Cb -0.17 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.50 3hn3 s LEU 287 CO 0.15 -1.36 0.90 0.86 0.02 0.00 0.00 176.35 176.92 3hn3 s TRP 288 N -2.34 3.27 -0.04 0.29 -0.00 -0.07 -4.31 118.94 115.75 3hn3 s TRP 288 Ca 0.66 1.15 0.06 0.00 -0.00 0.00 0.00 56.10 57.96 3hn3 s TRP 288 Cb -0.18 -3.21 -0.02 0.00 -0.00 0.00 0.00 33.47 30.05 3hn3 s TRP 288 CO 0.38 -0.50 -0.21 -1.58 -0.00 0.00 0.00 176.95 175.04 3hn3 s TRP 289 N 3.04 2.49 0.72 5.86 0.52 -1.26 -4.72 118.94 125.59 3hn3 s TRP 289 Ca 0.38 -0.36 -0.16 0.00 0.02 0.00 0.00 56.10 55.98 3hn3 s TRP 289 Cb -0.15 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 3hn3 s TRP 289 CO 0.09 0.03 1.13 -2.30 0.02 0.00 0.00 176.95 175.92 3hn3 n PRO 290 N 2.45 0.60 -1.62 4.98 -0.02 -1.26 -0.07 135.00 140.06 3hn3 n PRO 290 Ca -0.17 0.27 -0.49 0.00 -2.02 0.00 0.00 63.50 61.09 3hn3 n PRO 290 Cb 0.52 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3hn3 n PRO 290 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3hn3 n TYR 291 N -2.54 1.78 -0.88 6.00 9.36 0.54 -1.28 117.16 130.13 3hn3 n TYR 291 Ca 0.14 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.87 3hn3 n TYR 291 Cb 0.49 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 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 2.74 0.32 -0.25 2.98 4.77 -1.26 -4.76 117.00 121.54 3hn3 n LEU 292 Ca 0.17 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.26 3hn3 n LEU 292 Cb 0.24 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 3hn3 n LEU 292 CO 0.62 -0.21 0.13 0.80 -1.33 0.00 0.00 177.39 177.40 3hn3 n MET 293 N -1.92 0.66 -3.58 3.23 1.56 -0.41 -4.95 117.12 111.71 3hn3 n MET 293 Ca 0.00 -0.50 -0.15 0.00 -0.27 0.00 0.00 57.70 56.78 3hn3 n MET 293 Cb 0.05 -1.48 -0.06 0.00 2.15 0.00 0.00 33.22 33.87 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 -2.72 -0.68 0.53 1.12 5.65 -1.24 -4.93 115.29 113.02 3hn3 s HIS 294 Ca 0.13 1.44 0.29 0.00 0.25 0.00 0.00 55.06 57.18 3hn3 s HIS 294 Cb 0.17 0.35 1.70 0.00 -1.18 0.00 0.00 32.58 33.62 3hn3 s HIS 294 CO 0.71 -0.45 2.19 0.93 -0.65 0.00 0.00 174.74 177.47 3hn3 h GLU 295 N 3.95 0.00 -2.82 2.88 5.08 -1.93 -3.20 114.58 118.55 3hn3 h GLU 295 Ca -0.27 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.48 3hn3 h GLU 295 Cb 1.15 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.99 3hn3 h GLU 295 CO 0.21 0.05 -0.67 0.54 -1.00 0.00 0.00 179.01 178.13 3hn3 n ARG 296 N -3.74 1.53 -1.73 2.33 1.74 -1.26 -5.06 116.66 110.48 3hn3 n ARG 296 Ca -0.03 -4.20 -0.29 0.00 -0.77 0.00 0.00 57.85 52.56 3hn3 n ARG 296 Cb 0.14 -2.13 0.10 0.00 -1.02 0.00 0.00 32.46 29.55 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 -1.25 1.84 -1.49 5.56 0.04 -1.21 -4.42 135.00 134.07 3hn3 s PRO 297 Ca 0.28 0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.59 3hn3 s PRO 297 Cb -0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3hn3 s PRO 297 CO -0.16 -1.72 0.49 0.00 0.04 0.00 0.00 177.00 175.66 3hn3 n ALA 298 N -3.44 -0.86 -1.85 8.56 0.00 0.90 -4.83 120.51 118.99 3hn3 n ALA 298 Ca 0.07 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3hn3 n ALA 298 Cb 0.59 -3.48 -0.03 0.00 0.00 0.00 0.00 19.45 16.53 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 -3.12 1.79 -0.18 0.00 6.14 -1.26 -4.79 117.35 115.92 3hn3 s TYR 299 Ca 0.25 -0.05 -0.02 0.00 0.64 0.00 0.00 57.07 57.88 3hn3 s TYR 299 Cb -0.11 -4.07 -0.01 0.00 0.42 0.00 0.00 41.96 38.20 3hn3 s TYR 299 CO 0.30 -4.58 -0.09 -0.51 0.64 0.00 0.00 175.55 171.32 3hn3 s LEU 300 N 3.91 2.78 0.75 6.97 1.43 -1.26 -4.33 118.68 128.93 3hn3 s LEU 300 Ca 0.80 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3hn3 s LEU 300 Cb -0.39 -1.68 0.09 0.00 0.03 0.00 0.00 46.19 44.25 3hn3 s LEU 300 CO 0.35 0.05 1.07 -0.31 0.23 0.00 0.00 176.35 177.74 3hn3 s TYR 301 N 1.04 2.53 -0.04 0.29 2.02 0.12 -4.04 117.35 119.26 3hn3 s TYR 301 Ca -0.00 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 3hn3 s TYR 301 Cb -0.15 -3.34 0.01 0.00 -0.40 0.00 0.00 41.96 38.09 3hn3 s TYR 301 CO -0.01 -1.67 -0.09 -1.54 -1.57 0.00 0.00 175.55 170.67 3hn3 s SER 302 N -4.61 1.35 -0.51 2.29 1.04 -0.16 -0.49 113.70 112.62 3hn3 s SER 302 Ca 0.63 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.65 3hn3 s SER 302 Cb -0.09 -0.52 0.05 0.00 0.10 0.00 0.00 66.02 65.57 3hn3 s SER 302 CO 0.46 0.03 0.66 -0.22 0.98 0.00 0.00 173.24 175.15 3hn3 s LEU 303 N 0.50 4.85 -0.31 2.42 2.96 0.12 -0.61 118.68 128.61 3hn3 s LEU 303 Ca -0.09 -0.83 -0.22 0.00 -0.22 0.00 0.00 54.13 52.77 3hn3 s LEU 303 Cb -0.12 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 3hn3 s LEU 303 CO 0.01 -0.92 0.71 -0.70 -1.32 0.00 0.00 176.35 174.14 3hn3 s GLU 304 N 2.77 3.90 -0.18 1.98 2.12 0.65 -0.83 118.70 129.11 3hn3 s GLU 304 Ca 0.17 0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.86 3hn3 s GLU 304 Cb -0.18 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 3hn3 s GLU 304 CO 0.13 -0.65 0.00 0.08 -0.54 0.00 0.00 175.26 174.28 3hn3 s VAL 305 N 2.81 4.13 -0.16 3.70 1.01 0.47 -1.14 120.40 131.22 3hn3 s VAL 305 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3hn3 s VAL 305 Cb -0.14 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hn3 s VAL 305 CO 0.13 0.46 -0.11 -1.58 0.00 0.00 0.00 175.10 174.00 3hn3 s GLN 306 N 0.62 1.99 -0.22 2.72 0.74 0.06 -1.77 119.66 123.80 3hn3 s GLN 306 Ca -0.00 -0.58 -0.10 0.00 0.05 0.00 0.00 55.36 54.73 3hn3 s GLN 306 Cb -0.14 -2.10 -0.05 0.00 1.10 0.00 0.00 33.01 31.82 3hn3 s GLN 306 CO 0.02 -0.32 0.12 -1.17 -0.55 0.00 0.00 175.29 173.39 3hn3 s LEU 307 N 1.52 4.05 -0.22 3.68 2.96 0.72 -1.08 118.68 130.30 3hn3 s LEU 307 Ca 0.03 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3hn3 s LEU 307 Cb -0.14 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 3hn3 s LEU 307 CO -0.09 0.12 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.11 3hn3 s THR 308 N 0.72 3.22 0.13 3.68 2.01 -0.15 -0.87 115.64 124.37 3hn3 s THR 308 Ca 0.07 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3hn3 s THR 308 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3hn3 s THR 308 CO 0.01 0.43 -0.15 0.00 -0.69 0.00 0.00 174.62 174.23 3hn3 s ALA 309 N 1.46 1.57 -0.23 7.40 0.00 -0.36 0.14 121.76 131.73 3hn3 s ALA 309 Ca 0.06 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 3hn3 s ALA 309 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3hn3 s ALA 309 CO -0.04 0.12 0.12 -0.65 0.00 0.00 0.00 175.76 175.30 3hn3 s GLN 310 N -2.71 3.93 0.41 0.00 -1.52 -0.33 -0.73 119.66 118.71 3hn3 s GLN 310 Ca 0.10 -0.34 0.04 0.00 -1.95 0.00 0.00 55.36 53.21 3hn3 s GLN 310 Cb -0.05 -3.42 -0.05 0.00 -0.22 0.00 0.00 33.01 29.28 3hn3 s GLN 310 CO 0.03 0.03 0.05 0.95 -0.25 0.00 0.00 175.29 176.10 3hn3 s THR 311 N 1.10 1.26 0.62 -0.19 -4.23 -0.58 -4.68 115.64 108.94 3hn3 s THR 311 Ca 0.06 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.92 3hn3 s THR 311 Cb -0.14 -2.60 0.39 0.00 1.34 0.00 0.00 72.50 71.49 3hn3 s THR 311 CO 0.04 0.00 2.29 0.28 -0.54 0.00 0.00 174.62 176.69 3hn3 h SER 312 N 1.78 0.00 -0.07 3.99 0.02 -2.02 -2.17 113.55 115.08 3hn3 h SER 312 Ca -0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3hn3 h SER 312 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3hn3 h SER 312 CO 0.71 0.00 -0.08 0.18 -1.14 0.00 0.00 176.83 176.50 3hn3 n LEU 313 N -3.52 2.78 0.00 5.07 4.77 -1.26 -5.11 117.00 119.73 3hn3 n LEU 313 Ca -0.03 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 3hn3 n LEU 313 Cb 0.10 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3hn3 n LEU 313 CO 0.24 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3hn3 n GLY 314 N -1.21 -1.30 3.76 -0.72 0.00 -0.82 -5.03 105.19 99.88 3hn3 n GLY 314 Ca 0.18 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3hn3 n GLY 314 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hn3 s PRO 315 N -0.38 4.63 0.13 1.61 0.02 -1.26 -1.53 135.00 138.22 3hn3 s PRO 315 Ca 0.00 1.76 0.07 0.00 0.02 0.00 0.00 61.00 62.86 3hn3 s PRO 315 Cb 0.00 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3hn3 s PRO 315 CO 0.00 0.22 -0.17 0.14 -0.33 0.00 0.00 177.00 176.85 3hn3 s VAL 316 N -1.19 1.59 -0.00 3.83 -7.23 0.10 -4.94 120.40 112.55 3hn3 s VAL 316 Ca 0.45 -1.72 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 3hn3 s VAL 316 Cb -0.31 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3hn3 s VAL 316 CO 0.40 -0.28 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.24 3hn3 s SER 317 N -2.36 3.36 -0.02 4.85 0.01 -1.26 -1.23 113.70 117.05 3hn3 s SER 317 Ca 0.10 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3hn3 s SER 317 Cb -0.07 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.71 3hn3 s SER 317 CO 0.05 0.30 -0.05 -0.62 0.41 0.00 0.00 173.24 173.33 3hn3 s ASP 318 N -0.89 0.75 -0.05 2.44 2.15 -0.05 -4.75 116.67 116.26 3hn3 s ASP 318 Ca 0.11 -0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.04 3hn3 s ASP 318 Cb -0.10 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.29 3hn3 s ASP 318 CO 0.01 0.01 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.44 3hn3 s PHE 319 N 0.34 2.16 -0.01 -5.34 0.40 -1.26 -0.20 117.98 114.06 3hn3 s PHE 319 Ca -0.04 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 3hn3 s PHE 319 Cb -0.08 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.03 3hn3 s PHE 319 CO -0.00 -0.19 0.02 -0.47 0.70 0.00 0.00 175.22 175.28 3hn3 s TYR 320 N -0.10 -0.02 -0.16 0.36 6.14 -0.73 -4.75 117.35 118.09 3hn3 s TYR 320 Ca -0.03 0.07 0.02 0.00 0.64 0.00 0.00 57.07 57.76 3hn3 s TYR 320 Cb -0.13 -0.02 0.02 0.00 0.42 0.00 0.00 41.96 42.25 3hn3 s TYR 320 CO 0.03 -0.02 -0.20 0.99 0.64 0.00 0.00 175.55 176.99 3hn3 s THR 321 N 0.13 2.00 -0.21 4.34 2.01 -1.26 -0.39 115.64 122.26 3hn3 s THR 321 Ca -0.01 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 3hn3 s THR 321 Cb -0.02 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 3hn3 s THR 321 CO -0.00 0.53 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.22 3hn3 s LEU 322 N 1.11 3.04 0.43 4.42 2.96 -0.01 -4.92 118.68 125.71 3hn3 s LEU 322 Ca -0.00 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.34 3hn3 s LEU 322 Cb -0.14 -1.77 -0.09 0.00 0.50 0.00 0.00 46.19 44.68 3hn3 s LEU 322 CO -0.08 0.02 1.46 -2.84 -1.32 0.00 0.00 176.35 173.58 3hn3 s PRO 323 N 1.26 3.81 -0.05 0.98 0.02 -1.26 0.15 135.00 139.92 3hn3 s PRO 323 Ca 0.03 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3hn3 s PRO 323 Cb -0.14 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.64 3hn3 s PRO 323 CO -0.00 -0.74 -0.04 0.08 -0.33 0.00 0.00 177.00 175.96 3hn3 s VAL 324 N -1.17 0.53 -0.23 3.83 1.01 0.36 -4.84 120.40 119.89 3hn3 s VAL 324 Ca 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 3hn3 s VAL 324 Cb -0.45 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3hn3 s VAL 324 CO 0.59 0.23 -0.07 -0.83 0.00 0.00 0.00 175.10 175.02 3hn3 s GLY 325 N 0.99 1.60 -0.46 4.51 0.00 -1.26 -0.71 107.32 111.99 3hn3 s GLY 325 Ca -0.10 -1.33 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 3hn3 s GLY 325 CO -0.00 0.46 0.95 -0.42 0.00 0.00 0.00 173.10 174.09 3hn3 s ILE 326 N 1.38 4.45 -0.00 0.90 1.01 -1.26 -4.75 121.20 122.92 3hn3 s ILE 326 Ca 0.03 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.21 3hn3 s ILE 326 Cb -0.15 -4.45 0.09 0.00 0.01 0.00 0.00 42.46 37.96 3hn3 s ILE 326 CO -0.05 -0.84 0.81 0.00 0.00 0.00 0.00 174.94 174.86 3hn3 s ARG 327 N 3.81 0.92 0.14 2.79 1.04 -1.26 -0.89 118.95 125.50 3hn3 s ARG 327 Ca 0.38 -0.16 0.09 0.00 -1.04 0.00 0.00 55.73 54.99 3hn3 s ARG 327 Cb -0.10 0.43 -0.04 0.00 -2.04 0.00 0.00 34.95 33.20 3hn3 s ARG 327 CO 0.26 -0.37 -0.20 0.95 -0.04 0.00 0.00 175.30 175.91 3hn3 s THR 328 N -2.57 1.82 -0.08 4.99 -4.23 -1.26 -4.61 115.64 109.69 3hn3 s THR 328 Ca 0.00 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 3hn3 s THR 328 Cb -0.01 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3hn3 s THR 328 CO -0.05 -0.19 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.01 3hn3 s VAL 329 N -1.63 1.38 0.06 2.29 1.01 -1.26 -1.20 120.40 121.06 3hn3 s VAL 329 Ca 0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3hn3 s VAL 329 Cb -0.08 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3hn3 s VAL 329 CO 0.06 0.41 0.02 0.00 0.00 0.00 0.00 175.10 175.58 3hn3 s ALA 330 N 0.69 0.35 -0.04 5.51 0.00 0.07 -4.83 121.76 123.51 3hn3 s ALA 330 Ca -0.13 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3hn3 s ALA 330 Cb -0.16 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3hn3 s ALA 330 CO 0.03 -0.40 -0.09 0.08 0.00 0.00 0.00 175.76 175.38 3hn3 s VAL 331 N -3.88 0.86 0.00 0.00 1.01 -1.26 0.19 120.40 117.32 3hn3 s VAL 331 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hn3 s VAL 331 Cb 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3hn3 s VAL 331 CO -0.10 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.63 3hn3 n THR 332 N 3.58 0.00 0.26 3.92 -2.24 -0.22 -5.00 114.28 114.59 3hn3 n THR 332 Ca -0.21 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 3hn3 n THR 332 Cb 0.53 -0.56 0.58 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.98 -3.37 116.57 112.01 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 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.79 3hn3 n SER 334 N -3.14 0.09 -4.21 0.86 3.41 -1.26 -3.01 113.62 106.36 3hn3 n SER 334 Ca 0.01 -0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 57.86 3hn3 n SER 334 Cb 0.36 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.07 0.93 -0.28 4.33 -0.21 -1.26 -4.34 119.66 118.76 3hn3 s GLN 335 Ca 0.00 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.21 3hn3 s GLN 335 Cb 0.00 -0.80 0.04 0.00 1.00 0.00 0.00 33.01 33.26 3hn3 s GLN 335 CO 0.00 0.15 -0.03 0.12 -2.12 0.00 0.00 175.29 173.41 3hn3 s PHE 336 N -2.01 3.19 -0.23 0.91 2.19 -1.26 -1.05 117.98 119.71 3hn3 s PHE 336 Ca 0.05 -1.79 -0.09 0.00 0.33 0.00 0.00 56.93 55.43 3hn3 s PHE 336 Cb -0.06 -2.07 -0.04 0.00 -1.31 0.00 0.00 43.02 39.54 3hn3 s PHE 336 CO 0.02 -0.78 0.13 -0.51 1.83 0.00 0.00 175.22 175.90 3hn3 s LEU 337 N 1.27 3.91 -0.20 6.12 1.43 0.13 -0.57 118.68 130.76 3hn3 s LEU 337 Ca -0.04 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3hn3 s LEU 337 Cb -0.19 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3hn3 s LEU 337 CO -0.03 0.05 -0.05 -0.63 0.23 0.00 0.00 176.35 175.93 3hn3 s ILE 338 N 1.11 3.44 -1.42 -0.59 1.01 -0.48 -0.76 121.20 123.51 3hn3 s ILE 338 Ca 0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 3hn3 s ILE 338 Cb -0.14 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.82 3hn3 s ILE 338 CO 0.04 0.44 0.52 0.59 0.00 0.00 0.00 174.94 176.53 3hn3 n ASN 339 N 4.51 -4.98 -0.15 3.58 3.02 -0.34 -1.42 115.26 119.48 3hn3 n ASN 339 Ca -0.18 -0.30 -0.02 0.00 -0.03 0.00 0.00 54.58 54.05 3hn3 n ASN 339 Cb 0.51 -4.07 -0.01 0.00 -0.61 0.00 0.00 39.78 35.61 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 -1.33 0.48 3.32 7.41 0.00 -1.26 -5.01 105.19 108.81 3hn3 n GLY 340 Ca -0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.23 2.31 0.33 1.61 1.02 -0.51 -5.03 119.74 118.23 3hn3 s LYS 341 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3hn3 s LYS 341 Cb 0.00 -2.13 -0.11 0.00 -0.52 0.00 0.00 37.83 35.06 3hn3 s LYS 341 CO 0.00 0.52 1.53 -2.30 -0.92 0.00 0.00 175.35 174.17 3hn3 n PRO 342 N 2.57 2.64 -4.81 -1.68 -0.02 -1.26 -1.39 135.00 131.05 3hn3 n PRO 342 Ca -0.17 0.93 -0.28 0.00 -2.02 0.00 0.00 63.50 61.97 3hn3 n PRO 342 Cb 0.51 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 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 -0.54 2.02 -0.13 6.00 5.36 0.26 -4.86 117.98 126.10 3hn3 s PHE 343 Ca 0.59 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 3hn3 s PHE 343 Cb -0.50 -1.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.98 3hn3 s PHE 343 CO 0.56 0.08 -0.13 -0.47 -1.46 0.00 0.00 175.22 173.80 3hn3 s TYR 344 N -0.76 1.94 -0.08 10.12 6.14 -1.26 -4.41 117.35 129.03 3hn3 s TYR 344 Ca 0.09 -1.00 -0.30 0.00 0.64 0.00 0.00 57.07 56.50 3hn3 s TYR 344 Cb -0.09 -1.45 -0.04 0.00 0.42 0.00 0.00 41.96 40.81 3hn3 s TYR 344 CO 0.01 -0.56 1.37 -0.06 0.64 0.00 0.00 175.55 176.96 3hn3 s PHE 345 N 1.34 2.70 -0.40 4.97 0.08 -0.36 -4.96 117.98 121.36 3hn3 s PHE 345 Ca 0.01 0.81 0.02 0.00 0.12 0.00 0.00 56.93 57.88 3hn3 s PHE 345 Cb -0.14 -3.62 0.12 0.00 -0.57 0.00 0.00 43.02 38.82 3hn3 s PHE 345 CO -0.07 -2.31 0.19 -3.38 -0.10 0.00 0.00 175.22 169.55 3hn3 s HIS 346 N 3.17 2.06 0.00 0.36 -3.43 -1.26 -0.91 115.29 115.28 3hn3 s HIS 346 Ca 0.61 -2.31 0.00 0.00 -0.80 0.00 0.00 55.06 52.56 3hn3 s HIS 346 Cb -0.27 -1.94 0.00 0.00 -1.43 0.00 0.00 32.58 28.94 3hn3 s HIS 346 CO 0.22 -0.82 0.00 0.41 -2.00 0.00 0.00 174.74 172.55 3hn3 n GLY 347 N 3.90 4.29 3.17 -1.38 0.00 -0.60 -1.78 105.19 112.79 3hn3 n GLY 347 Ca 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.12 0.09 0.03 1.61 -7.23 -0.78 -2.50 120.40 110.49 3hn3 s VAL 348 Ca 0.00 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 3hn3 s VAL 348 Cb 0.00 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3hn3 s VAL 348 CO 0.00 -0.34 0.18 0.20 -0.31 0.00 0.00 175.10 174.83 3hn3 s ASN 349 N -3.08 6.23 0.03 4.85 0.01 -0.75 -2.43 114.94 119.80 3hn3 s ASN 349 Ca 0.28 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 3hn3 s ASN 349 Cb 0.07 -1.91 -0.00 0.00 0.41 0.00 0.00 41.25 39.83 3hn3 s ASN 349 CO 0.05 0.22 0.01 0.29 -1.51 0.00 0.00 177.10 176.15 3hn3 n LYS 350 N 0.65 1.26 -3.58 -0.60 5.02 -1.22 -0.62 118.16 119.06 3hn3 n LYS 350 Ca -0.08 -0.25 -0.13 0.00 -2.02 0.00 0.00 58.31 55.83 3hn3 n LYS 350 Cb 0.52 0.11 -0.05 0.00 -0.02 0.00 0.00 35.03 35.59 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 -1.46 -0.36 -0.67 2.13 3.76 -1.26 -4.29 115.29 113.13 3hn3 s HIS 351 Ca 0.01 0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 54.98 3hn3 s HIS 351 Cb 0.00 0.33 0.07 0.00 1.11 0.00 0.00 32.58 34.09 3hn3 s HIS 351 CO 0.01 -0.67 1.00 -1.21 -0.85 0.00 0.00 174.74 173.01 3hn3 s GLU 352 N -2.89 3.12 -0.29 1.40 2.02 -1.26 -4.94 118.70 115.86 3hn3 s GLU 352 Ca -0.03 -0.79 -0.18 0.00 0.02 0.00 0.00 54.97 54.00 3hn3 s GLU 352 Cb -0.00 -4.23 0.13 0.00 0.10 0.00 0.00 34.13 30.13 3hn3 s GLU 352 CO -0.05 -1.85 0.95 0.34 0.02 0.00 0.00 175.26 174.66 3hn3 s ASP 353 N 3.69 -0.56 0.19 -0.19 -1.08 -1.23 -4.02 116.67 113.47 3hn3 s ASP 353 Ca 0.23 0.91 -0.23 0.00 -0.52 0.00 0.00 52.55 52.95 3hn3 s ASP 353 Cb -0.16 1.18 0.05 0.00 -1.46 0.00 0.00 42.92 42.53 3hn3 s ASP 353 CO 0.10 -0.15 0.74 0.00 0.52 0.00 0.00 175.17 176.39 3hn3 s ALA 354 N 1.19 -1.48 0.30 3.66 0.00 -0.40 -5.00 121.76 120.04 3hn3 s ALA 354 Ca -0.07 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3hn3 s ALA 354 Cb -0.04 0.78 -0.13 0.00 0.00 0.00 0.00 23.12 23.74 3hn3 s ALA 354 CO -0.14 -0.92 1.38 -0.25 0.00 0.00 0.00 175.76 175.83 3hn3 n ASP 355 N -0.41 2.93 0.00 0.00 8.00 -1.26 -2.48 116.55 123.32 3hn3 n ASP 355 Ca -0.09 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.58 3hn3 n ASP 355 Cb 0.61 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 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 1.19 0.00 1.13 0.53 2.08 -1.26 -4.36 119.36 118.67 3hn3 n ILE 356 Ca 0.08 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.52 3hn3 n ILE 356 Cb 0.34 0.00 0.48 0.00 -0.75 0.00 0.00 39.64 39.72 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 0.23 0.00 0.38 1.85 -1.25 -4.24 116.66 113.63 3hn3 n ARG 357 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 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 1.43 3.24 1.00 2.89 0.00 -1.04 -0.88 105.19 111.83 3hn3 n GLY 358 Ca 0.09 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 9.62 2.27 -1.89 1.61 5.02 -1.26 -1.27 118.16 132.26 3hn3 n LYS 359 Ca 0.00 -1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 53.93 3hn3 n LYS 359 Cb 0.00 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.21 2.81 0.38 0.72 0.00 -0.45 -4.76 107.32 104.81 3hn3 s GLY 360 Ca 0.37 1.48 -0.27 0.00 0.00 0.00 0.00 44.72 46.31 3hn3 s GLY 360 CO 0.27 2.22 1.26 -0.12 0.00 0.00 0.00 173.10 176.72 3hn3 s PHE 361 N -0.91 2.99 -0.18 1.90 5.36 -0.49 -4.90 117.98 121.74 3hn3 s PHE 361 Ca 0.54 1.47 -0.09 0.00 -0.96 0.00 0.00 56.93 57.89 3hn3 s PHE 361 Cb -0.45 -3.58 0.07 0.00 -0.34 0.00 0.00 43.02 38.73 3hn3 s PHE 361 CO 0.57 -1.73 0.42 0.34 -1.46 0.00 0.00 175.22 173.36 3hn3 s ASP 362 N -0.79 -0.42 0.04 6.13 2.15 -1.26 -4.79 116.67 117.73 3hn3 s ASP 362 Ca 0.54 0.94 -0.23 0.00 0.43 0.00 0.00 52.55 54.23 3hn3 s ASP 362 Cb -0.36 0.98 -0.15 0.00 -0.30 0.00 0.00 42.92 43.09 3hn3 s ASP 362 CO 0.47 -0.21 1.50 -0.50 -0.17 0.00 0.00 175.17 176.25 3hn3 h TRP 363 N 7.49 0.13 -0.48 -5.34 4.06 -1.99 -1.99 115.95 117.84 3hn3 h TRP 363 Ca -0.29 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.67 3hn3 h TRP 363 Cb 1.16 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.25 3hn3 h TRP 363 CO 0.26 0.35 0.26 -1.35 -3.56 0.00 0.00 178.44 174.40 3hn3 h PRO 364 N -0.13 0.51 -0.83 0.49 0.11 -2.00 -1.23 132.00 128.92 3hn3 h PRO 364 Ca 0.02 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3hn3 h PRO 364 Cb 0.30 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 3hn3 h PRO 364 CO 0.00 0.33 0.55 -0.07 -0.21 0.00 0.00 178.00 178.61 3hn3 h LEU 365 N 0.52 0.93 0.31 2.35 3.38 -1.99 -0.64 115.31 120.17 3hn3 h LEU 365 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hn3 h LEU 365 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hn3 h LEU 365 CO -0.11 0.66 -0.15 0.25 0.09 0.00 0.00 178.44 179.17 3hn3 h LEU 366 N 1.09 -0.36 -0.62 1.67 5.85 -0.78 0.12 115.31 122.28 3hn3 h LEU 366 Ca 0.31 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 3hn3 h LEU 366 Cb -0.07 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3hn3 h LEU 366 CO -0.08 -0.21 0.18 0.58 -0.34 0.00 0.00 178.44 178.58 3hn3 h VAL 367 N -0.48 1.25 -0.54 1.05 2.07 -1.07 -2.15 116.25 116.38 3hn3 h VAL 367 Ca -0.04 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3hn3 h VAL 367 Cb 0.36 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3hn3 h VAL 367 CO 0.07 0.33 0.30 0.50 0.02 0.00 0.00 177.57 178.78 3hn3 h LYS 368 N 0.90 0.56 -0.54 1.57 1.63 -1.03 -0.41 116.57 119.24 3hn3 h LYS 368 Ca 0.20 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3hn3 h LYS 368 Cb 0.31 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3hn3 h LYS 368 CO -0.00 0.37 0.29 -0.44 -3.45 0.00 0.00 179.45 176.22 3hn3 h ASP 369 N 0.58 0.68 -0.51 4.20 5.19 -0.53 -0.26 116.42 125.77 3hn3 h ASP 369 Ca 0.23 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 3hn3 h ASP 369 Cb 0.09 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 3hn3 h ASP 369 CO -0.13 0.58 0.11 -0.26 -3.12 0.00 0.00 179.24 176.41 3hn3 h PHE 370 N 0.73 0.92 -0.91 4.55 0.04 -0.87 0.27 116.94 121.66 3hn3 h PHE 370 Ca 0.19 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3hn3 h PHE 370 Cb 0.05 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3hn3 h PHE 370 CO -0.01 0.78 0.60 -0.91 -0.60 0.00 0.00 178.31 178.17 3hn3 h ASN 371 N 0.84 1.02 -0.56 2.17 2.35 -0.55 -1.58 115.58 119.28 3hn3 h ASN 371 Ca 0.18 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3hn3 h ASN 371 Cb 0.35 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3hn3 h ASN 371 CO 0.00 0.73 0.06 -0.07 -1.65 0.00 0.00 177.43 176.50 3hn3 h LEU 372 N 1.20 0.91 -0.61 1.61 3.38 -0.46 -1.27 115.31 120.08 3hn3 h LEU 372 Ca 0.35 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hn3 h LEU 372 Cb -0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 3hn3 h LEU 372 CO -0.09 0.97 0.37 -0.07 0.09 0.00 0.00 178.44 179.70 3hn3 h LEU 373 N 0.83 0.60 -0.55 1.67 3.38 -0.60 0.81 115.31 121.46 3hn3 h LEU 373 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3hn3 h LEU 373 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3hn3 h LEU 373 CO 0.02 0.42 -0.46 0.03 0.09 0.00 0.00 178.44 178.54 3hn3 h ARG 374 N 0.73 0.65 -0.53 1.13 3.08 -1.19 -1.67 114.38 116.57 3hn3 h ARG 374 Ca 0.25 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hn3 h ARG 374 Cb 0.03 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3hn3 h ARG 374 CO -0.11 0.97 0.32 2.35 -1.07 0.00 0.00 179.97 182.43 3hn3 h TRP 375 N 0.52 0.70 0.00 3.04 7.01 -0.90 -2.66 115.95 123.65 3hn3 h TRP 375 Ca 0.03 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3hn3 h TRP 375 Cb 1.00 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.83 3hn3 h TRP 375 CO 0.05 0.49 -0.07 1.25 -2.79 0.00 0.00 178.44 177.36 3hn3 h LEU 376 N 0.71 0.00 0.00 0.65 5.85 -0.61 -3.46 115.31 118.45 3hn3 h LEU 376 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hn3 h LEU 376 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3hn3 h LEU 376 CO -0.03 0.07 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 3hn3 n GLY 377 N -0.49 0.49 3.72 3.75 0.00 -1.00 -4.23 105.19 107.42 3hn3 n GLY 377 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 3.36 -1.21 4.61 0.00 -0.66 -4.69 121.76 121.17 3hn3 s ALA 378 Ca 0.00 0.80 0.13 0.00 0.00 0.00 0.00 51.96 52.89 3hn3 s ALA 378 Cb 0.00 -3.40 0.32 0.00 0.00 0.00 0.00 23.12 20.04 3hn3 s ALA 378 CO 0.00 -0.34 1.24 0.27 0.00 0.00 0.00 175.76 176.92 3hn3 n ASN 379 N 3.44 2.93 -3.55 0.00 0.23 -0.73 -4.58 115.26 113.00 3hn3 n ASN 379 Ca 0.07 -1.92 -0.15 0.00 -0.53 0.00 0.00 54.58 52.05 3hn3 n ASN 379 Cb 0.47 -0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 37.88 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 -1.02 -1.83 0.06 -2.53 0.00 -1.26 -1.40 121.76 113.77 3hn3 s ALA 380 Ca 0.26 1.47 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 3hn3 s ALA 380 Cb 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 3hn3 s ALA 380 CO 0.18 -0.34 0.15 -0.59 0.00 0.00 0.00 175.76 175.17 3hn3 s PHE 381 N -1.01 0.16 0.03 0.00 -0.12 -0.36 -1.87 117.98 114.79 3hn3 s PHE 381 Ca -0.07 -0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 56.21 3hn3 s PHE 381 Cb -0.01 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 3hn3 s PHE 381 CO 0.06 -0.45 0.36 0.50 -0.05 0.00 0.00 175.22 175.65 3hn3 s ARG 382 N -3.12 3.76 -1.42 1.99 3.52 -1.02 -1.92 118.95 120.74 3hn3 s ARG 382 Ca -0.01 0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 55.69 3hn3 s ARG 382 Cb 0.02 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.37 3hn3 s ARG 382 CO -0.07 0.63 2.36 0.25 -0.81 0.00 0.00 175.30 177.66 3hn3 n THR 383 N 1.32 4.33 -1.77 4.11 -2.24 -0.77 -3.42 114.28 115.84 3hn3 n THR 383 Ca -0.11 -3.58 -0.42 0.00 -2.27 0.00 0.00 64.05 57.67 3hn3 n THR 383 Cb 0.53 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.31 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 1.65 6.48 -0.44 3.42 1.04 -1.26 -1.24 113.70 123.35 3hn3 s SER 384 Ca 0.52 2.65 0.09 0.00 0.48 0.00 0.00 55.95 59.70 3hn3 s SER 384 Cb 0.15 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 64.09 3hn3 s SER 384 CO -0.06 -0.98 0.91 1.41 0.98 0.00 0.00 173.24 175.50 3hn3 n HIS 385 N 6.09 2.22 -3.63 5.02 -0.00 -1.26 -4.34 115.22 119.32 3hn3 n HIS 385 Ca 0.18 -3.58 -0.03 0.00 -0.00 0.00 0.00 57.72 54.28 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 -3.09 -0.07 0.31 4.41 -0.85 -0.37 -3.82 117.35 113.85 3hn3 s TYR 386 Ca 0.42 0.08 -0.29 0.00 -0.52 0.00 0.00 57.07 56.76 3hn3 s TYR 386 Cb 0.35 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 43.09 3hn3 s TYR 386 CO -0.10 -0.10 1.43 -2.14 -1.52 0.00 0.00 175.55 173.13 3hn3 s PRO 387 N -1.78 4.24 0.74 -3.49 0.02 -1.00 -4.67 135.00 129.05 3hn3 s PRO 387 Ca 0.09 2.38 -0.07 0.00 0.02 0.00 0.00 61.00 63.42 3hn3 s PRO 387 Cb -0.01 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.54 3hn3 s PRO 387 CO -0.05 -0.41 1.04 0.71 -0.33 0.00 0.00 177.00 177.97 3hn3 s TYR 388 N -0.57 2.53 0.42 6.54 2.02 -1.26 -4.87 117.35 122.16 3hn3 s TYR 388 Ca 0.55 0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 57.32 3hn3 s TYR 388 Cb -0.43 -3.28 -0.11 0.00 -0.40 0.00 0.00 41.96 37.74 3hn3 s TYR 388 CO 0.51 -1.60 0.87 0.00 -1.57 0.00 0.00 175.55 173.76 3hn3 n ALA 389 N -3.00 -0.35 -0.28 3.71 0.00 -1.26 -4.87 120.51 114.46 3hn3 n ALA 389 Ca 0.10 0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.82 3hn3 n ALA 389 Cb 0.60 -1.99 0.31 0.00 0.00 0.00 0.00 19.45 18.37 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 1.28 0.84 -0.40 0.00 5.08 -1.96 -1.16 114.58 118.26 3hn3 h GLU 390 Ca -0.43 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 3hn3 h GLU 390 Cb 1.36 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3hn3 h GLU 390 CO 0.55 0.55 0.28 0.93 -1.00 0.00 0.00 179.01 180.32 3hn3 h GLU 391 N 0.86 0.23 -0.54 2.33 3.07 -1.99 0.14 114.58 118.68 3hn3 h GLU 391 Ca 0.41 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 3hn3 h GLU 391 Cb 0.43 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3hn3 h GLU 391 CO -0.18 0.15 0.09 0.28 -1.40 0.00 0.00 179.01 177.95 3hn3 h VAL 392 N 0.23 1.25 -0.33 3.13 2.07 -1.56 -2.02 116.25 119.04 3hn3 h VAL 392 Ca 0.18 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 3hn3 h VAL 392 Cb 0.42 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hn3 h VAL 392 CO -0.03 0.35 -0.33 0.24 0.02 0.00 0.00 177.57 177.82 3hn3 h MET 393 N 0.78 0.72 -0.85 1.57 2.86 -0.75 -1.54 114.93 117.71 3hn3 h MET 393 Ca 0.16 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3hn3 h MET 393 Cb 0.41 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3hn3 h MET 393 CO 0.01 0.94 0.56 1.96 1.06 0.00 0.00 176.91 181.45 3hn3 h GLN 394 N 0.60 1.12 -0.43 1.72 4.20 -1.01 -1.73 115.11 119.58 3hn3 h GLN 394 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3hn3 h GLN 394 Cb 0.85 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3hn3 h GLN 394 CO 0.07 0.74 0.16 0.52 -0.67 0.00 0.00 178.83 179.66 3hn3 h MET 395 N 1.15 0.64 -0.69 1.46 2.86 -1.11 -2.49 114.93 116.76 3hn3 h MET 395 Ca 0.31 -0.12 0.10 0.00 -2.06 0.00 0.00 59.70 57.93 3hn3 h MET 395 Cb -0.13 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.35 3hn3 h MET 395 CO -0.07 0.60 0.32 0.00 1.06 0.00 0.00 176.91 178.82 3hn3 h ASP 397 N 0.54 1.07 0.55 0.00 3.32 -1.07 0.11 116.42 120.94 3hn3 h ASP 397 Ca 0.35 -0.09 -0.25 0.00 0.02 0.00 0.00 57.03 57.06 3hn3 h ASP 397 Cb 0.39 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hn3 h ASP 397 CO -0.29 0.85 -1.11 0.03 -1.72 0.00 0.00 179.24 177.00 3hn3 h ARG 398 N 1.20 0.30 0.00 3.56 3.08 -0.88 -3.34 114.38 118.30 3hn3 h ARG 398 Ca 0.31 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hn3 h ARG 398 Cb 0.01 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hn3 h ARG 398 CO -0.05 1.16 -0.78 0.66 -1.07 0.00 0.00 179.97 179.89 3hn3 n TYR 399 N -3.60 0.04 -1.81 3.04 4.02 0.46 -4.79 117.16 114.52 3hn3 n TYR 399 Ca -0.07 0.01 -0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3hn3 n TYR 399 Cb 0.95 -0.18 -0.00 0.00 -0.02 0.00 0.00 39.34 40.08 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 1.48 0.36 3.47 2.72 0.00 -0.01 -4.32 105.19 108.90 3hn3 n GLY 400 Ca 0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.02 5.07 0.68 -0.61 -1.09 -0.99 -0.34 121.20 121.89 3hn3 s ILE 401 Ca 0.00 -0.40 -0.13 0.00 -2.23 0.00 0.00 60.65 57.89 3hn3 s ILE 401 Cb 0.00 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3hn3 s ILE 401 CO 0.00 -0.48 1.08 0.68 -1.23 0.00 0.00 174.94 174.98 3hn3 s VAL 402 N 2.18 3.64 -0.04 2.92 -7.23 -0.49 -4.69 120.40 116.68 3hn3 s VAL 402 Ca 0.12 0.65 0.02 0.00 -1.81 0.00 0.00 61.98 60.96 3hn3 s VAL 402 Cb -0.18 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.56 3hn3 s VAL 402 CO 0.13 -0.58 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.57 3hn3 s VAL 403 N -2.69 0.73 -0.53 1.32 1.01 0.17 -1.23 120.40 119.19 3hn3 s VAL 403 Ca 0.62 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 3hn3 s VAL 403 Cb -0.17 -0.69 0.09 0.00 0.00 0.00 0.00 36.38 35.61 3hn3 s VAL 403 CO 0.47 0.25 0.55 -0.63 0.00 0.00 0.00 175.10 175.75 3hn3 s ILE 404 N 0.60 5.04 -0.29 2.22 1.01 -0.81 -1.74 121.20 127.23 3hn3 s ILE 404 Ca -0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 3hn3 s ILE 404 Cb -0.13 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 3hn3 s ILE 404 CO 0.01 -0.84 0.72 -0.62 0.00 0.00 0.00 174.94 174.21 3hn3 s ASP 405 N 3.12 6.62 -0.09 3.58 -1.08 -0.49 -1.84 116.67 126.49 3hn3 s ASP 405 Ca 0.08 0.66 0.03 0.00 -0.52 0.00 0.00 52.55 52.80 3hn3 s ASP 405 Cb -0.24 -2.38 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 3hn3 s ASP 405 CO 0.07 -0.52 -0.19 -0.70 0.52 0.00 0.00 175.17 174.35 3hn3 s GLU 406 N 2.77 2.94 0.89 4.34 2.12 -1.26 -1.29 118.70 129.21 3hn3 s GLU 406 Ca 0.30 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 3hn3 s GLU 406 Cb -0.15 -2.39 0.07 0.00 0.26 0.00 0.00 34.13 31.92 3hn3 s GLU 406 CO 0.11 0.32 0.80 0.00 -0.54 0.00 0.00 175.26 175.95 3hn3 n PRO 408 N -2.69 0.72 -1.71 0.00 -0.02 -1.25 -3.51 135.00 126.53 3hn3 n PRO 408 Ca 0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 3hn3 n PRO 408 Cb 0.52 -1.14 -0.01 0.00 -0.02 0.00 0.00 33.50 32.84 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 1.06 4.80 3.33 -1.23 0.00 -1.26 -2.90 105.19 108.99 3hn3 n GLY 409 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 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 0.31 2.02 -0.13 1.61 0.11 -1.26 -1.36 120.40 121.70 3hn3 s VAL 410 Ca 0.60 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 3hn3 s VAL 410 Cb 0.18 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 3hn3 s VAL 410 CO -0.08 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 3hn3 n GLY 411 N 1.44 0.42 2.81 6.54 0.00 -1.26 -4.17 105.19 110.98 3hn3 n GLY 411 Ca -0.18 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.16 6.73 -0.05 0.99 4.32 -1.26 -4.56 117.00 123.01 3hn3 n LEU 412 Ca -0.01 -4.38 0.01 0.00 -0.02 0.00 0.00 56.01 51.61 3hn3 n LEU 412 Cb 0.21 -1.58 -0.16 0.00 -1.62 0.00 0.00 43.42 40.27 3hn3 n LEU 412 CO 0.02 1.22 -0.91 0.00 -1.22 0.00 0.00 177.39 176.50 3hn3 n ALA 413 N 5.08 2.20 -2.69 -1.18 0.00 -1.26 -0.86 120.51 121.80 3hn3 n ALA 413 Ca 0.46 -0.88 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 3hn3 n ALA 413 Cb 0.38 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 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 -5.01 3.49 0.49 0.00 1.43 -1.26 -4.72 118.68 113.10 3hn3 s LEU 414 Ca -0.09 -0.11 0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3hn3 s LEU 414 Cb 0.10 -2.14 1.21 0.00 0.03 0.00 0.00 46.19 45.39 3hn3 s LEU 414 CO 0.87 0.21 2.04 -0.65 0.23 0.00 0.00 176.35 179.05 3hn3 h PRO 415 N 3.77 0.17 0.00 1.29 0.11 -1.96 -1.72 132.00 133.65 3hn3 h PRO 415 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hn3 h PRO 415 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hn3 h PRO 415 CO 0.59 0.11 0.00 -0.56 -0.21 0.00 0.00 178.00 177.93 3hn3 h GLN 416 N 0.17 0.00 -0.00 1.05 3.07 -1.99 -2.47 115.11 114.94 3hn3 h GLN 416 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 3hn3 h GLN 416 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 3hn3 h GLN 416 CO -0.03 0.00 -0.13 1.19 0.09 0.00 0.00 178.83 179.95 3hn3 n PHE 417 N -2.50 0.00 -3.66 0.06 3.72 -0.65 -4.61 117.46 109.82 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 0.13 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.23 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 -2.81 3.42 0.39 1.38 0.08 -0.93 -4.78 117.98 114.73 3hn3 s PHE 418 Ca 0.19 -1.88 -0.13 0.00 0.12 0.00 0.00 56.93 55.23 3hn3 s PHE 418 Cb 0.19 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.59 3hn3 s PHE 418 CO 0.54 -0.92 0.75 0.54 -0.10 0.00 0.00 175.22 176.04 3hn3 s ASN 419 N 2.11 0.18 0.27 1.36 2.20 -1.26 -4.97 114.94 114.84 3hn3 s ASN 419 Ca 0.04 -1.25 0.01 0.00 -0.94 0.00 0.00 52.86 50.72 3hn3 s ASN 419 Cb -0.23 0.84 0.39 0.00 -2.00 0.00 0.00 41.25 40.24 3hn3 s ASN 419 CO -0.01 -1.67 1.73 -1.13 -2.94 0.00 0.00 177.10 173.09 3hn3 h ASN 420 N 2.01 0.58 -0.08 3.54 -1.24 -1.98 0.18 115.58 118.59 3hn3 h ASN 420 Ca -0.33 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.43 3hn3 h ASN 420 Cb 1.25 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.14 3hn3 h ASN 420 CO 0.42 0.77 -0.24 0.58 -1.29 0.00 0.00 177.43 177.66 3hn3 h VAL 421 N 0.53 1.42 -0.61 2.57 2.07 -1.98 -1.63 116.25 118.62 3hn3 h VAL 421 Ca 0.09 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 3hn3 h VAL 421 Cb 0.60 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3hn3 h VAL 421 CO 0.04 0.46 0.18 0.77 0.02 0.00 0.00 177.57 179.04 3hn3 h SER 422 N -0.18 0.87 0.14 0.57 4.64 -1.85 -1.11 113.55 116.62 3hn3 h SER 422 Ca -0.01 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hn3 h SER 422 Cb 0.86 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3hn3 h SER 422 CO 0.05 0.82 -0.13 0.25 -0.87 0.00 0.00 176.83 176.96 3hn3 h LEU 423 N 0.90 -0.34 -1.00 5.97 5.85 -0.85 0.32 115.31 126.16 3hn3 h LEU 423 Ca 0.20 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3hn3 h LEU 423 Cb 0.28 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3hn3 h LEU 423 CO -0.01 -0.20 -0.26 0.45 -0.34 0.00 0.00 178.44 178.08 3hn3 h HIS 424 N -0.29 0.45 -0.59 1.25 3.86 -1.16 -1.52 115.15 117.14 3hn3 h HIS 424 Ca -0.00 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 3hn3 h HIS 424 Cb 0.27 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3hn3 h HIS 424 CO -0.12 0.63 0.23 1.25 0.86 0.00 0.00 177.93 180.78 3hn3 h HIS 425 N 0.36 0.91 -0.77 2.45 -0.00 -0.94 -1.83 115.15 115.31 3hn3 h HIS 425 Ca 0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 3hn3 h HIS 425 Cb 0.65 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 3hn3 h HIS 425 CO 0.02 0.73 0.33 1.25 -0.00 0.00 0.00 177.93 180.26 3hn3 h HIS 426 N 0.82 1.14 -0.63 5.26 6.17 -0.42 -1.31 115.15 126.18 3hn3 h HIS 426 Ca 0.20 -0.07 -0.05 0.00 0.71 0.00 0.00 60.37 61.15 3hn3 h HIS 426 Cb 0.21 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.77 3hn3 h HIS 426 CO 0.01 0.85 0.19 0.52 0.71 0.00 0.00 177.93 180.21 3hn3 h MET 427 N 1.11 0.97 -0.42 5.26 2.86 -1.07 -0.77 114.93 122.87 3hn3 h MET 427 Ca 0.26 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3hn3 h MET 427 Cb 0.17 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3hn3 h MET 427 CO -0.03 0.84 -0.14 1.96 1.06 0.00 0.00 176.91 180.60 3hn3 h GLN 428 N 0.93 0.84 -0.37 1.72 1.08 -0.74 -1.77 115.11 116.81 3hn3 h GLN 428 Ca 0.21 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3hn3 h GLN 428 Cb 0.28 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3hn3 h GLN 428 CO -0.01 0.98 0.17 0.28 -0.95 0.00 0.00 178.83 179.30 3hn3 h VAL 429 N 0.67 1.18 -0.92 -0.54 2.07 -1.07 -1.28 116.25 116.35 3hn3 h VAL 429 Ca 0.10 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3hn3 h VAL 429 Cb 0.69 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3hn3 h VAL 429 CO 0.05 0.19 0.60 0.24 0.02 0.00 0.00 177.57 178.66 3hn3 h MET 430 N 0.46 1.11 -0.72 1.57 2.86 -1.06 -0.09 114.93 119.06 3hn3 h MET 430 Ca 0.13 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3hn3 h MET 430 Cb 0.14 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 31.49 3hn3 h MET 430 CO -0.01 0.73 0.40 0.93 1.06 0.00 0.00 176.91 180.02 3hn3 h GLU 431 N 1.14 0.69 -0.63 1.72 5.08 -0.95 -0.18 114.58 121.45 3hn3 h GLU 431 Ca 0.38 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 3hn3 h GLU 431 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3hn3 h GLU 431 CO -0.13 0.46 0.29 0.93 -1.00 0.00 0.00 179.01 179.56 3hn3 h GLU 432 N 0.71 0.91 -0.25 2.33 5.08 -0.03 -0.15 114.58 123.18 3hn3 h GLU 432 Ca 0.33 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hn3 h GLU 432 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hn3 h GLU 432 CO -0.21 0.74 0.13 0.28 -1.00 0.00 0.00 179.01 178.94 3hn3 h VAL 433 N 0.87 1.14 -0.43 3.13 2.07 -0.57 -1.70 116.25 120.77 3hn3 h VAL 433 Ca 0.22 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3hn3 h VAL 433 Cb 0.13 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hn3 h VAL 433 CO -0.03 0.14 0.09 0.58 0.02 0.00 0.00 177.57 178.37 3hn3 h VAL 434 N 0.28 1.24 -0.57 2.57 2.07 -0.98 -1.51 116.25 119.35 3hn3 h VAL 434 Ca 0.09 -0.84 0.10 0.00 0.82 0.00 0.00 66.70 66.87 3hn3 h VAL 434 Cb 0.11 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3hn3 h VAL 434 CO -0.01 0.29 0.17 -0.09 0.02 0.00 0.00 177.57 177.95 3hn3 h ARG 435 N 0.56 0.31 -0.32 1.57 2.43 -0.83 0.46 114.38 118.56 3hn3 h ARG 435 Ca 0.13 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 3hn3 h ARG 435 Cb 0.34 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3hn3 h ARG 435 CO 0.00 0.21 -0.45 -0.09 -1.51 0.00 0.00 179.97 178.13 3hn3 h ARG 436 N 0.32 0.85 -0.01 0.20 2.43 -1.02 -3.37 114.38 113.79 3hn3 h ARG 436 Ca 0.29 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3hn3 h ARG 436 Cb 0.39 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hn3 h ARG 436 CO -0.33 1.12 -0.04 -0.25 -1.51 0.00 0.00 179.97 178.96 3hn3 n ASP 437 N -4.03 1.38 0.10 -3.80 8.00 -0.60 -4.69 116.55 112.91 3hn3 n ASP 437 Ca -0.03 -1.19 0.20 0.00 0.71 0.00 0.00 54.79 54.48 3hn3 n ASP 437 Cb 0.58 0.14 0.72 0.00 -0.02 0.00 0.00 41.12 42.54 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 1.14 0.00 -0.22 -1.24 2.10 -1.08 -2.31 116.57 114.96 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 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 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 -3.55 2.85 -4.60 7.07 3.02 -1.26 -4.86 115.26 113.93 3hn3 n ASN 439 Ca 0.07 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 3hn3 n ASN 439 Cb 0.68 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.73 3.12 0.51 3.10 3.76 -0.87 -4.82 115.29 118.36 3hn3 s HIS 440 Ca 0.35 0.69 0.17 0.00 -0.15 0.00 0.00 55.06 56.12 3hn3 s HIS 440 Cb 0.21 -3.44 1.25 0.00 1.11 0.00 0.00 32.58 31.71 3hn3 s HIS 440 CO 0.30 -0.72 2.10 -1.00 -0.85 0.00 0.00 174.74 174.57 3hn3 h PRO 441 N 8.39 0.07 0.00 8.40 0.13 -1.91 -1.90 132.00 145.18 3hn3 h PRO 441 Ca -0.24 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3hn3 h PRO 441 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hn3 h PRO 441 CO 0.93 0.04 -0.13 0.00 -0.23 0.00 0.00 178.00 178.62 3hn3 h ALA 442 N 1.90 1.72 -1.91 -0.56 0.00 -1.88 -3.39 119.26 115.14 3hn3 h ALA 442 Ca 0.08 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 3hn3 h ALA 442 Cb 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3hn3 h ALA 442 CO -0.01 0.16 1.03 0.08 0.00 0.00 0.00 179.25 180.51 3hn3 s VAL 443 N -4.70 3.98 -0.56 0.00 1.01 -0.71 -0.65 120.40 118.76 3hn3 s VAL 443 Ca -0.04 1.07 0.12 0.00 0.00 0.00 0.00 61.98 63.13 3hn3 s VAL 443 Cb 0.16 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 3hn3 s VAL 443 CO 0.67 -0.54 0.50 1.33 0.00 0.00 0.00 175.10 177.07 3hn3 n VAL 444 N 6.55 0.00 -3.58 2.92 0.24 -0.71 -4.91 118.33 118.83 3hn3 n VAL 444 Ca 0.16 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 3hn3 n VAL 444 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 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 -2.11 0.94 -0.11 7.34 1.75 -1.20 -4.11 119.30 121.79 3hn3 s MET 445 Ca 0.05 0.53 -0.10 0.00 -1.25 0.00 0.00 55.69 54.91 3hn3 s MET 445 Cb 0.09 0.45 -0.05 0.00 2.84 0.00 0.00 34.83 38.16 3hn3 s MET 445 CO 0.48 -0.23 0.23 -1.58 -0.65 0.00 0.00 175.02 173.27 3hn3 s TRP 446 N -0.56 3.58 -0.15 4.11 0.52 -0.84 -1.39 118.94 124.21 3hn3 s TRP 446 Ca -0.07 0.62 -0.00 0.00 0.02 0.00 0.00 56.10 56.67 3hn3 s TRP 446 Cb -0.02 -2.12 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 3hn3 s TRP 446 CO 0.06 0.57 -0.13 0.45 0.02 0.00 0.00 176.95 177.92 3hn3 s SER 447 N -0.60 3.90 0.03 2.95 0.15 -0.41 -0.49 113.70 119.21 3hn3 s SER 447 Ca 0.16 -0.40 0.23 0.00 0.70 0.00 0.00 55.95 56.65 3hn3 s SER 447 Cb -0.13 -1.61 0.15 0.00 -1.71 0.00 0.00 66.02 62.73 3hn3 s SER 447 CO 0.05 0.11 1.14 1.33 1.20 0.00 0.00 173.24 177.07 3hn3 n VAL 448 N 3.92 0.09 -3.53 4.45 0.24 -0.11 -1.34 118.33 122.04 3hn3 n VAL 448 Ca -0.19 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 61.92 3hn3 n VAL 448 Cb 0.52 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 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 -3.09 -1.79 -0.13 2.33 0.00 -1.26 -4.29 121.76 113.53 3hn3 s ALA 449 Ca 0.07 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3hn3 s ALA 449 Cb 0.16 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.76 3hn3 s ALA 449 CO 0.78 -0.74 -0.12 1.21 0.00 0.00 0.00 175.76 176.89 3hn3 s ASN 450 N -2.55 2.49 -1.42 0.00 2.47 -0.47 -1.09 114.94 114.38 3hn3 s ASN 450 Ca 0.06 -0.42 -0.01 0.00 0.42 0.00 0.00 52.86 52.91 3hn3 s ASN 450 Cb -0.01 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 3hn3 s ASN 450 CO -0.08 -0.06 0.42 -0.62 -3.72 0.00 0.00 177.10 173.04 3hn3 n GLU 451 N 4.72 -3.27 -1.10 0.43 1.02 0.19 -4.01 120.64 118.62 3hn3 n GLU 451 Ca -0.16 0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 3hn3 n GLU 451 Cb 0.50 -4.53 0.16 0.00 -0.02 0.00 0.00 31.44 27.55 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 -6.57 0.89 -1.35 3.49 0.04 -1.26 -4.56 135.00 125.68 3hn3 s PRO 452 Ca 0.02 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 3hn3 s PRO 452 Cb -0.01 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 3hn3 s PRO 452 CO 0.89 -2.49 2.46 0.00 0.04 0.00 0.00 177.00 177.90 3hn3 n ALA 453 N -4.06 5.93 1.84 8.56 0.00 -0.04 -4.70 120.51 128.04 3hn3 n ALA 453 Ca 0.07 -3.36 0.16 0.00 0.00 0.00 0.00 53.44 50.30 3hn3 n ALA 453 Cb 0.55 -3.40 0.87 0.00 0.00 0.00 0.00 19.45 17.47 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 4.97 0.13 0.23 0.00 3.41 -1.26 -1.94 113.62 119.16 3hn3 n SER 454 Ca 0.61 -0.86 0.16 0.00 -0.26 0.00 0.00 58.87 58.52 3hn3 n SER 454 Cb 0.29 -0.05 0.67 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.19 0.00 -3.71 7.33 2.07 -1.84 0.29 115.15 119.48 3hn3 h HIS 455 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 3hn3 h HIS 455 Cb 0.10 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.06 3hn3 h HIS 455 CO 0.00 0.00 0.36 -0.51 -3.07 0.00 0.00 177.93 174.71 3hn3 s LEU 456 N -5.56 4.61 0.25 6.12 1.43 -0.82 -4.72 118.68 120.00 3hn3 s LEU 456 Ca 0.01 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3hn3 s LEU 456 Cb 0.09 -3.61 0.32 0.00 0.03 0.00 0.00 46.19 43.03 3hn3 s LEU 456 CO 0.46 0.10 1.69 -0.33 0.23 0.00 0.00 176.35 178.51 3hn3 h GLU 457 N 4.45 0.63 -0.74 1.70 4.39 -1.89 -1.75 114.58 121.37 3hn3 h GLU 457 Ca -0.45 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.06 3hn3 h GLU 457 Cb 1.20 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 3hn3 h GLU 457 CO 0.69 0.79 0.46 0.66 -1.16 0.00 0.00 179.01 180.45 3hn3 h SER 458 N 0.56 0.75 -0.29 1.42 4.64 -1.94 -2.33 113.55 116.37 3hn3 h SER 458 Ca 0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3hn3 h SER 458 Cb 0.66 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3hn3 h SER 458 CO 0.05 0.52 -0.02 0.00 -0.87 0.00 0.00 176.83 176.51 3hn3 h ALA 459 N 1.32 1.24 -0.26 5.18 0.00 -1.71 -1.70 119.26 123.33 3hn3 h ALA 459 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hn3 h ALA 459 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hn3 h ALA 459 CO -0.12 0.51 0.14 0.78 0.00 0.00 0.00 179.25 180.56 3hn3 h GLY 460 N 0.92 0.38 0.88 0.00 0.00 -0.81 0.48 103.07 104.92 3hn3 h GLY 460 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3hn3 h GLY 460 CO 0.02 0.16 -0.05 -1.82 0.00 0.00 0.00 176.54 174.85 3hn3 h TYR 461 N 0.31 -0.14 -0.47 5.60 3.20 -1.32 0.13 116.97 124.28 3hn3 h TYR 461 Ca 0.09 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3hn3 h TYR 461 Cb 0.05 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.27 3hn3 h TYR 461 CO -0.04 0.02 -0.31 -0.92 -1.64 0.00 0.00 178.16 175.27 3hn3 h TYR 462 N -0.27 -0.85 -0.32 -3.82 5.03 -1.22 -0.48 116.97 115.03 3hn3 h TYR 462 Ca -0.02 0.06 -0.15 0.00 2.58 0.00 0.00 58.73 61.21 3hn3 h TYR 462 Cb 0.22 0.44 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 3hn3 h TYR 462 CO -0.03 -0.37 -0.40 -0.07 -1.32 0.00 0.00 178.16 175.97 3hn3 h LEU 463 N -0.20 0.81 -0.68 2.82 3.38 -0.73 -1.13 115.31 119.58 3hn3 h LEU 463 Ca 0.20 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.93 3hn3 h LEU 463 Cb 0.53 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 3hn3 h LEU 463 CO -0.58 1.11 0.19 0.50 0.09 0.00 0.00 178.44 179.75 3hn3 h LYS 464 N 0.62 0.30 0.13 1.13 3.64 -0.05 -0.97 116.57 121.38 3hn3 h LYS 464 Ca 0.05 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 3hn3 h LYS 464 Cb 0.95 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3hn3 h LYS 464 CO 0.09 0.20 -1.24 0.52 -2.27 0.00 0.00 179.45 176.74 3hn3 h MET 465 N 0.31 0.47 -0.57 1.90 2.86 -0.55 -1.00 114.93 118.35 3hn3 h MET 465 Ca 0.37 -0.68 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 3hn3 h MET 465 Cb 0.58 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3hn3 h MET 465 CO -0.44 1.30 0.20 0.28 1.06 0.00 0.00 176.91 179.32 3hn3 h VAL 466 N 0.19 1.23 -0.32 -2.22 2.07 -1.11 0.01 116.25 116.10 3hn3 h VAL 466 Ca -0.17 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3hn3 h VAL 466 Cb 1.93 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3hn3 h VAL 466 CO 0.22 0.29 0.12 0.40 0.02 0.00 0.00 177.57 178.62 3hn3 h ILE 467 N 0.79 1.19 -0.75 4.57 2.04 -1.17 -1.03 117.51 123.15 3hn3 h ILE 467 Ca 0.19 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3hn3 h ILE 467 Cb 0.24 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3hn3 h ILE 467 CO -0.01 0.21 0.37 0.00 0.00 0.00 0.00 178.15 178.71 3hn3 h ALA 468 N 0.96 0.96 -0.30 1.87 0.00 -1.03 -0.52 119.26 121.20 3hn3 h ALA 468 Ca 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hn3 h ALA 468 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hn3 h ALA 468 CO -0.01 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.13 3hn3 h HIS 469 N 1.05 0.20 -0.04 0.00 -0.00 -0.76 -1.28 115.15 114.33 3hn3 h HIS 469 Ca 0.26 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3hn3 h HIS 469 Cb 0.11 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3hn3 h HIS 469 CO 0.01 0.10 0.01 1.15 -0.00 0.00 0.00 177.93 179.20 3hn3 h THR 470 N 0.25 0.99 -0.85 6.26 2.02 -0.75 -2.05 112.91 118.79 3hn3 h THR 470 Ca 0.13 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.41 3hn3 h THR 470 Cb 0.09 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3hn3 h THR 470 CO -0.12 0.01 0.55 0.11 0.37 0.00 0.00 175.52 176.43 3hn3 h LYS 471 N 0.03 0.75 0.00 6.66 1.57 -0.85 -0.50 116.57 124.23 3hn3 h LYS 471 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3hn3 h LYS 471 Cb 0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3hn3 h LYS 471 CO -0.01 0.49 -0.14 0.66 -0.57 0.00 0.00 179.45 179.89 3hn3 h SER 472 N 0.77 0.00 0.80 0.86 4.64 -0.59 -3.12 113.55 116.91 3hn3 h SER 472 Ca 0.40 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.49 3hn3 h SER 472 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3hn3 h SER 472 CO -0.17 0.14 -1.29 -0.07 -0.87 0.00 0.00 176.83 174.57 3hn3 h LEU 473 N 0.00 0.00 -6.91 5.97 3.38 -0.44 -3.45 115.31 113.86 3hn3 h LEU 473 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3hn3 h LEU 473 Cb 0.67 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.03 3hn3 h LEU 473 CO 0.02 0.90 -0.72 -0.62 0.09 0.00 0.00 178.44 178.11 3hn3 s ASP 474 N -6.32 2.28 0.00 -0.43 2.15 -0.95 -5.02 116.67 108.38 3hn3 s ASP 474 Ca -0.01 -0.64 0.23 0.00 0.43 0.00 0.00 52.55 52.56 3hn3 s ASP 474 Cb 0.09 -0.07 1.15 0.00 -0.30 0.00 0.00 42.92 43.79 3hn3 s ASP 474 CO 0.81 -0.36 1.76 -0.81 -0.17 0.00 0.00 175.17 176.40 3hn3 n PRO 475 N 5.29 0.29 0.00 4.34 -0.04 -1.25 -4.08 135.00 139.54 3hn3 n PRO 475 Ca -0.06 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3hn3 n PRO 475 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.31 0.77 -4.19 3.54 3.41 -1.26 -4.96 113.62 109.62 3hn3 n SER 476 Ca 0.10 -0.69 -0.20 0.00 -0.26 0.00 0.00 58.87 57.82 3hn3 n SER 476 Cb 0.20 1.04 -0.13 0.00 -0.26 0.00 0.00 64.21 65.06 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 -3.10 0.94 0.86 4.33 0.52 -1.26 -4.49 118.95 116.76 3hn3 s ARG 477 Ca 0.06 -0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 3hn3 s ARG 477 Cb 0.16 -1.00 0.11 0.00 0.52 0.00 0.00 34.95 34.73 3hn3 s ARG 477 CO 0.85 0.23 1.09 -1.25 0.02 0.00 0.00 175.30 176.25 3hn3 s PRO 478 N -1.55 1.53 0.02 3.54 0.04 -1.26 -4.89 135.00 132.43 3hn3 s PRO 478 Ca 0.01 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.01 3hn3 s PRO 478 Cb -0.09 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3hn3 s PRO 478 CO 0.02 -2.08 -0.10 0.08 0.04 0.00 0.00 177.00 174.96 3hn3 s VAL 479 N -2.92 0.78 0.32 -0.36 1.01 -1.26 -1.98 120.40 115.98 3hn3 s VAL 479 Ca 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3hn3 s VAL 479 Cb -0.18 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3hn3 s VAL 479 CO 0.57 0.00 0.43 0.28 0.00 0.00 0.00 175.10 176.38 3hn3 s THR 480 N -0.66 0.00 0.03 3.92 -1.32 0.36 -1.19 115.64 116.77 3hn3 s THR 480 Ca -0.00 -1.64 -0.01 0.00 -1.21 0.00 0.00 61.69 58.83 3hn3 s THR 480 Cb -0.06 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 3hn3 s THR 480 CO 0.00 0.00 -0.01 0.72 -2.21 0.00 0.00 174.62 173.12 3hn3 s PHE 481 N -3.32 0.32 -0.14 9.09 -0.71 -1.26 -0.94 117.98 121.02 3hn3 s PHE 481 Ca 0.31 -0.66 -0.16 0.00 -1.04 0.00 0.00 56.93 55.38 3hn3 s PHE 481 Cb 0.00 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 3hn3 s PHE 481 CO 0.19 -0.26 0.41 0.08 -1.34 0.00 0.00 175.22 174.30 3hn3 s VAL 482 N -2.20 5.23 0.00 -2.49 1.01 -0.25 -4.27 120.40 117.44 3hn3 s VAL 482 Ca -0.09 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.76 3hn3 s VAL 482 Cb -0.04 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3hn3 s VAL 482 CO -0.04 0.33 -0.24 -0.55 0.00 0.00 0.00 175.10 174.61 3hn3 s SER 483 N 0.64 2.80 -0.17 3.32 0.15 -0.14 0.55 113.70 120.84 3hn3 s SER 483 Ca 0.22 -0.47 0.17 0.00 0.70 0.00 0.00 55.95 56.57 3hn3 s SER 483 Cb -0.14 -0.29 0.45 0.00 -1.71 0.00 0.00 66.02 64.33 3hn3 s SER 483 CO 0.08 0.26 1.33 -0.46 1.20 0.00 0.00 173.24 175.66 3hn3 n ASN 484 N 2.26 3.25 -4.86 5.45 6.94 -1.26 -1.46 115.26 125.58 3hn3 n ASN 484 Ca -0.16 -3.11 -0.31 0.00 -0.02 0.00 0.00 54.58 50.98 3hn3 n ASN 484 Cb 0.52 -0.51 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 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 -2.31 5.85 0.25 0.53 0.01 -1.26 -5.01 113.70 111.76 3hn3 s SER 485 Ca 0.39 1.41 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 3hn3 s SER 485 Cb 0.33 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 64.10 3hn3 s SER 485 CO 0.06 -1.12 1.20 0.21 0.41 0.00 0.00 173.24 174.01 3hn3 s ASN 486 N -4.12 7.05 0.38 2.44 3.84 -1.26 -4.91 114.94 118.36 3hn3 s ASN 486 Ca 0.56 2.37 0.12 0.00 0.21 0.00 0.00 52.86 56.13 3hn3 s ASN 486 Cb -0.12 -2.62 0.93 0.00 -0.55 0.00 0.00 41.25 38.89 3hn3 s ASN 486 CO 0.54 -0.35 1.85 0.10 -2.79 0.00 0.00 177.10 176.44 3hn3 h TYR 487 N 4.37 0.73 0.00 0.43 -0.00 -1.96 -0.14 116.97 120.41 3hn3 h TYR 487 Ca -0.46 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.27 3hn3 h TYR 487 Cb 1.22 -0.23 -0.00 0.00 -0.00 0.00 0.00 36.73 37.72 3hn3 h TYR 487 CO 0.60 0.22 -0.08 0.00 -0.00 0.00 0.00 178.16 178.90 3hn3 h ALA 488 N 1.61 0.96 0.00 0.10 0.00 -1.95 -3.32 119.26 116.67 3hn3 h ALA 488 Ca 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3hn3 h ALA 488 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hn3 h ALA 488 CO -0.22 0.09 -1.75 0.00 0.00 0.00 0.00 179.25 177.37 3hn3 n ALA 489 N -2.12 2.85 -1.91 0.00 0.00 -0.14 -4.94 120.51 114.25 3hn3 n ALA 489 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 3hn3 n ALA 489 Cb 0.50 -0.63 -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 -3.98 5.47 0.02 0.00 -1.08 -0.75 -4.17 116.67 112.18 3hn3 s ASP 490 Ca -0.05 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 53.32 3hn3 s ASP 490 Cb 0.12 -2.52 1.07 0.00 -1.46 0.00 0.00 42.92 40.12 3hn3 s ASP 490 CO 0.76 -2.09 1.82 0.29 0.52 0.00 0.00 175.17 176.48 3hn3 n LYS 491 N 8.76 0.03 0.06 4.34 4.76 0.10 -3.31 118.16 132.90 3hn3 n LYS 491 Ca 0.25 0.02 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 3hn3 n LYS 491 Cb 0.49 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 32.09 3hn3 n LYS 491 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hn3 n GLY 492 N 1.48 -1.29 0.37 0.72 0.00 -1.25 -4.54 105.19 100.69 3hn3 n GLY 492 Ca 0.07 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3hn3 n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hn3 h ALA 493 N 2.00 1.62 -0.12 4.61 0.00 -1.90 -2.05 119.26 123.42 3hn3 h ALA 493 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hn3 h ALA 493 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hn3 h ALA 493 CO 0.00 0.14 0.13 -1.35 0.00 0.00 0.00 179.25 178.17 3hn3 h PRO 494 N 0.90 0.00 -0.00 0.00 0.11 -1.80 -3.05 132.00 128.16 3hn3 h PRO 494 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3hn3 h PRO 494 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hn3 h PRO 494 CO -0.24 0.00 -0.61 0.66 -0.21 0.00 0.00 178.00 177.60 3hn3 n TYR 495 N -3.81 0.00 -3.01 0.65 4.01 -0.77 -4.93 117.16 109.30 3hn3 n TYR 495 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3hn3 n TYR 495 Cb 0.24 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.86 4.53 -0.01 -0.72 -7.23 -1.15 -4.94 120.40 108.02 3hn3 s VAL 496 Ca 0.13 1.25 0.11 0.00 -1.81 0.00 0.00 61.98 61.66 3hn3 s VAL 496 Cb 0.17 -3.70 -0.13 0.00 0.56 0.00 0.00 36.38 33.28 3hn3 s VAL 496 CO 0.71 -0.10 1.17 0.44 -0.31 0.00 0.00 175.10 177.00 3hn3 h ASP 497 N 2.51 0.00 -3.59 4.85 3.32 -1.50 -3.45 116.42 118.56 3hn3 h ASP 497 Ca -0.48 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.21 3hn3 h ASP 497 Cb 1.18 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 3hn3 h ASP 497 CO 0.64 0.82 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.53 3hn3 s VAL 498 N -2.78 0.36 -0.21 -1.35 1.01 -1.26 -4.56 120.40 111.61 3hn3 s VAL 498 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 3hn3 s VAL 498 Cb 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 3hn3 s VAL 498 CO 0.80 0.16 0.90 -0.63 0.00 0.00 0.00 175.10 176.33 3hn3 s ILE 499 N 0.67 4.81 -0.23 2.22 1.01 -0.12 -4.67 121.20 124.87 3hn3 s ILE 499 Ca -0.08 1.74 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 3hn3 s ILE 499 Cb -0.11 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 3hn3 s ILE 499 CO -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 174.94 174.83 3hn3 s LEU 501 N 1.45 2.26 -0.23 0.00 1.43 -0.22 -0.97 118.68 122.40 3hn3 s LEU 501 Ca 0.04 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 3hn3 s LEU 501 Cb -0.15 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3hn3 s LEU 501 CO -0.03 0.13 0.17 0.20 0.23 0.00 0.00 176.35 177.05 3hn3 s ASN 502 N 0.56 6.16 -0.03 2.29 0.01 -0.54 -0.88 114.94 122.51 3hn3 s ASN 502 Ca -0.12 0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 52.04 3hn3 s ASN 502 Cb -0.17 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.41 3hn3 s ASN 502 CO 0.04 0.07 0.32 -0.94 -1.51 0.00 0.00 177.10 175.08 3hn3 s SER 503 N 0.95 -0.22 -0.37 -1.22 1.04 -0.94 -4.64 113.70 108.30 3hn3 s SER 503 Ca 0.08 0.16 0.13 0.00 0.48 0.00 0.00 55.95 56.80 3hn3 s SER 503 Cb -0.13 0.35 0.37 0.00 0.10 0.00 0.00 66.02 66.72 3hn3 s SER 503 CO 0.04 -0.42 0.79 -1.22 0.98 0.00 0.00 173.24 173.41 3hn3 n TYR 504 N 1.42 0.62 -1.75 5.02 4.02 -1.26 -4.07 117.16 121.16 3hn3 n TYR 504 Ca -0.21 -3.60 -0.42 0.00 -0.01 0.00 0.00 57.90 53.66 3hn3 n TYR 504 Cb 0.56 -0.41 -0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3hn3 n TYR 504 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hn3 n TYR 505 N 0.17 2.73 0.00 -0.72 4.01 -1.26 -0.87 117.16 121.23 3hn3 n TYR 505 Ca 0.22 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 3hn3 n TYR 505 Cb 0.68 -2.49 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 3hn3 n TYR 505 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hn3 n SER 506 N 0.62 0.00 -0.09 7.72 3.41 -0.94 -4.80 113.62 119.54 3hn3 n SER 506 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 3hn3 n SER 506 Cb 0.38 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.93 0.00 1.21 7.33 -0.00 -0.05 -1.09 117.44 122.92 3hn3 n TRP 507 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.63 3hn3 n TRP 507 Cb 0.00 -0.57 0.39 0.00 -0.00 0.00 0.00 31.31 31.13 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 -4.38 0.00 -3.60 5.87 4.01 -0.76 -4.78 117.16 113.52 3hn3 n TYR 508 Ca -0.21 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.42 3hn3 n TYR 508 Cb 0.57 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 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 -2.61 -0.28 -1.22 -0.72 -3.43 -1.26 -4.96 115.29 100.81 3hn3 s HIS 509 Ca 0.22 0.02 -0.10 0.00 -0.80 0.00 0.00 55.06 54.40 3hn3 s HIS 509 Cb 0.19 0.31 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 3hn3 s HIS 509 CO 0.55 -0.71 0.71 -0.25 -2.00 0.00 0.00 174.74 173.04 3hn3 n ASP 510 N -0.14 -3.40 -4.68 7.38 8.00 -1.26 -2.21 116.55 120.24 3hn3 n ASP 510 Ca -0.17 -0.94 -0.52 0.00 0.71 0.00 0.00 54.79 53.88 3hn3 n ASP 510 Cb 0.63 -3.64 -0.06 0.00 -0.02 0.00 0.00 41.12 38.04 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 -4.17 2.11 -0.20 1.24 4.01 -1.26 -1.45 117.16 117.45 3hn3 n TYR 511 Ca -0.19 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3hn3 n TYR 511 Cb 0.63 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.13 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 3.93 1.66 3.14 2.72 0.00 -0.25 -4.97 105.19 111.43 3hn3 n GLY 512 Ca 0.23 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 3.99 0.25 1.61 8.25 -0.53 -4.74 115.22 122.05 3hn3 n HIS 513 Ca 0.00 -2.98 0.11 0.00 -0.26 0.00 0.00 57.72 54.59 3hn3 n HIS 513 Cb 0.00 -2.33 0.73 0.00 1.12 0.00 0.00 29.99 29.51 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 10.00 0.00 -0.05 2.41 3.38 -1.90 -2.21 115.31 126.94 3hn3 h LEU 514 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3hn3 h LEU 514 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hn3 h LEU 514 CO 1.57 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 178.26 3hn3 n GLU 515 N -4.29 0.01 0.00 1.13 0.00 -1.26 -2.44 120.64 113.80 3hn3 n GLU 515 Ca -0.02 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.54 3hn3 n GLU 515 Cb 0.14 -1.53 0.06 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.55 1.16 -0.05 -1.84 4.77 -0.83 -4.62 117.00 114.05 3hn3 n LEU 516 Ca 0.03 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.47 3hn3 n LEU 516 Cb 0.16 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3hn3 n LEU 516 CO 0.12 0.25 0.72 0.40 -1.33 0.00 0.00 177.39 177.56 3hn3 h ILE 517 N 0.81 1.27 -0.57 -0.08 2.04 -1.65 -1.97 117.51 117.36 3hn3 h ILE 517 Ca 0.00 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 3hn3 h ILE 517 Cb 0.57 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3hn3 h ILE 517 CO 0.00 0.27 0.14 1.56 0.00 0.00 0.00 178.15 180.12 3hn3 h GLN 518 N 0.00 0.91 -0.12 2.37 4.20 -1.81 -1.12 115.11 119.54 3hn3 h GLN 518 Ca 0.04 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hn3 h GLN 518 Cb 0.42 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3hn3 h GLN 518 CO 0.01 0.85 0.07 1.25 -0.67 0.00 0.00 178.83 180.34 3hn3 h LEU 519 N 0.81 0.15 -0.84 1.46 5.85 -1.83 -1.32 115.31 119.59 3hn3 h LEU 519 Ca 0.18 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3hn3 h LEU 519 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hn3 h LEU 519 CO 0.00 0.19 -0.37 1.56 -0.34 0.00 0.00 178.44 179.48 3hn3 h GLN 520 N 0.11 0.42 -0.32 1.25 4.20 -1.13 -1.67 115.11 117.96 3hn3 h GLN 520 Ca 0.04 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 3hn3 h GLN 520 Cb 0.06 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3hn3 h GLN 520 CO -0.01 0.73 -0.43 1.25 -0.67 0.00 0.00 178.83 179.70 3hn3 h LEU 521 N 0.35 0.94 -0.18 1.46 5.85 -1.16 -0.03 115.31 122.54 3hn3 h LEU 521 Ca 0.04 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3hn3 h LEU 521 Cb 0.81 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3hn3 h LEU 521 CO 0.07 1.25 0.12 0.00 -0.34 0.00 0.00 178.44 179.54 3hn3 h ALA 522 N 0.72 0.23 -0.38 1.25 0.00 -1.04 -2.00 119.26 118.04 3hn3 h ALA 522 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hn3 h ALA 522 Cb 1.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hn3 h ALA 522 CO 0.10 -0.29 0.24 1.15 0.00 0.00 0.00 179.25 180.45 3hn3 h THR 523 N 0.25 1.07 -0.24 0.00 2.02 -1.22 -1.00 112.91 113.78 3hn3 h THR 523 Ca 0.07 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.12 3hn3 h THR 523 Cb -0.03 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 3hn3 h THR 523 CO -0.02 0.09 -0.55 -0.61 0.37 0.00 0.00 175.52 174.80 3hn3 h GLN 524 N 0.48 -0.49 -0.21 6.66 4.15 -0.82 0.56 115.11 125.44 3hn3 h GLN 524 Ca 0.15 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3hn3 h GLN 524 Cb -0.03 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3hn3 h GLN 524 CO -0.05 -0.33 0.11 0.74 -1.93 0.00 0.00 178.83 177.37 3hn3 h PHE 525 N -0.51 0.30 -0.39 3.99 0.04 -1.18 -0.96 116.94 118.23 3hn3 h PHE 525 Ca 0.05 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3hn3 h PHE 525 Cb 0.65 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 3hn3 h PHE 525 CO -0.64 0.29 0.22 0.93 -0.60 0.00 0.00 178.31 178.50 3hn3 h GLU 526 N 0.23 0.43 -0.30 1.51 4.39 -1.03 -0.61 114.58 119.20 3hn3 h GLU 526 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3hn3 h GLU 526 Cb 0.09 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3hn3 h GLU 526 CO -0.01 0.28 0.14 -0.91 -1.16 0.00 0.00 179.01 177.36 3hn3 h ASN 527 N 0.44 0.39 -0.23 1.42 2.35 -0.64 -1.26 115.58 118.05 3hn3 h ASN 527 Ca 0.16 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3hn3 h ASN 527 Cb 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3hn3 h ASN 527 CO -0.09 0.40 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.58 3hn3 h TRP 528 N 0.35 0.45 -0.14 1.19 4.06 -1.03 -2.89 115.95 117.94 3hn3 h TRP 528 Ca 0.10 -0.08 -0.16 0.00 2.06 0.00 0.00 58.89 60.81 3hn3 h TRP 528 Cb 0.12 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3hn3 h TRP 528 CO -0.02 0.60 -0.58 -0.92 -3.56 0.00 0.00 178.44 173.96 3hn3 h TYR 529 N 0.17 0.57 -0.83 0.49 3.20 -1.07 -1.82 116.97 117.68 3hn3 h TYR 529 Ca 0.06 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.77 3hn3 h TYR 529 Cb 0.43 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 3hn3 h TYR 529 CO 0.04 0.92 0.52 -0.22 -1.64 0.00 0.00 178.16 177.78 3hn3 h LYS 530 N 0.34 0.95 -0.13 1.82 3.64 -1.26 -0.44 116.57 121.49 3hn3 h LYS 530 Ca -0.00 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 3hn3 h LYS 530 Cb 1.11 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3hn3 h LYS 530 CO 0.10 0.63 -0.72 -0.22 -2.27 0.00 0.00 179.45 176.97 3hn3 h LYS 531 N 0.98 0.71 0.00 1.90 3.64 -1.28 -3.41 116.57 119.11 3hn3 h LYS 531 Ca 0.35 -0.60 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 3hn3 h LYS 531 Cb 0.10 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hn3 h LYS 531 CO -0.15 1.21 -1.52 0.66 -2.27 0.00 0.00 179.45 177.38 3hn3 n TYR 532 N -4.02 0.00 -3.92 1.91 4.01 -0.71 -5.03 117.16 109.40 3hn3 n TYR 532 Ca -0.08 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.40 3hn3 n TYR 532 Cb 0.72 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 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 -2.08 -2.97 -4.09 -0.72 6.02 -0.18 -4.99 117.38 108.37 3hn3 n GLN 533 Ca -0.08 0.40 -0.14 0.00 -0.01 0.00 0.00 57.00 57.17 3hn3 n GLN 533 Cb 0.53 -4.43 -0.12 0.00 1.02 0.00 0.00 30.24 27.24 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 -6.50 0.59 0.53 -1.09 1.02 -1.23 -4.69 119.74 108.37 3hn3 s LYS 534 Ca 0.07 -0.80 -0.22 0.00 0.02 0.00 0.00 55.97 55.04 3hn3 s LYS 534 Cb -0.03 -0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 36.82 3hn3 s LYS 534 CO 0.89 0.08 1.38 -2.30 -0.92 0.00 0.00 175.35 174.47 3hn3 n PRO 535 N 1.42 1.80 -5.07 -1.68 -0.02 -1.16 -4.74 135.00 125.55 3hn3 n PRO 535 Ca -0.22 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3hn3 n PRO 535 Cb 0.54 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.27 2.55 -0.10 4.25 1.01 -0.59 -0.95 121.20 126.12 3hn3 s ILE 536 Ca 0.70 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3hn3 s ILE 536 Cb -0.42 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3hn3 s ILE 536 CO 0.51 0.57 -0.14 -0.63 0.00 0.00 0.00 174.94 175.24 3hn3 s ILE 537 N -0.35 2.98 -0.79 2.92 1.01 0.15 -0.09 121.20 127.02 3hn3 s ILE 537 Ca 0.03 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 3hn3 s ILE 537 Cb -0.12 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.20 3hn3 s ILE 537 CO 0.02 0.55 1.18 -1.58 0.00 0.00 0.00 174.94 175.12 3hn3 s GLN 538 N -0.05 3.30 0.20 2.79 2.00 -0.24 -1.05 119.66 126.62 3hn3 s GLN 538 Ca -0.03 -0.83 0.23 0.00 -2.00 0.00 0.00 55.36 52.73 3hn3 s GLN 538 Cb -0.14 -4.53 0.20 0.00 0.80 0.00 0.00 33.01 29.34 3hn3 s GLN 538 CO 0.04 -1.99 1.25 0.66 -0.50 0.00 0.00 175.29 174.75 3hn3 h SER 539 N 9.66 0.00 -4.05 6.67 4.64 -1.26 -0.53 113.55 128.67 3hn3 h SER 539 Ca -0.13 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 60.95 3hn3 h SER 539 Cb 1.05 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.89 3hn3 h SER 539 CO 1.25 0.04 -0.44 -1.61 -0.87 0.00 0.00 176.83 175.21 3hn3 s GLU 540 N -3.26 0.33 0.02 4.77 2.02 -1.20 -4.54 118.70 116.84 3hn3 s GLU 540 Ca 0.03 0.20 -0.27 0.00 0.02 0.00 0.00 54.97 54.95 3hn3 s GLU 540 Cb 0.10 0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.58 3hn3 s GLU 540 CO 0.74 -0.05 0.75 1.52 0.02 0.00 0.00 175.26 178.24 3hn3 s TYR 541 N -0.18 -0.49 -3.98 1.61 1.13 -1.25 -2.21 117.35 111.98 3hn3 s TYR 541 Ca -0.03 0.52 0.00 0.00 -1.41 0.00 0.00 57.07 56.15 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 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 3hn3 n GLY 542 N 0.10 -1.57 3.16 5.49 0.00 -1.26 -0.65 105.19 110.45 3hn3 n GLY 542 Ca -0.14 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.17 -0.71 0.24 4.61 0.00 -1.26 -4.88 121.76 118.58 3hn3 s ALA 543 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3hn3 s ALA 543 Cb 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.47 3hn3 s ALA 543 CO 0.00 -0.16 1.50 -1.21 0.00 0.00 0.00 175.76 175.89 3hn3 s GLU 544 N 0.51 4.23 -0.20 0.00 0.41 -1.26 -4.15 118.70 118.23 3hn3 s GLU 544 Ca -0.03 2.37 -0.04 0.00 -0.41 0.00 0.00 54.97 56.86 3hn3 s GLU 544 Cb -0.04 -3.10 0.10 0.00 -1.78 0.00 0.00 34.13 29.30 3hn3 s GLU 544 CO -0.03 -0.51 0.24 0.99 -0.49 0.00 0.00 175.26 175.47 3hn3 s THR 545 N 0.29 -0.37 -0.42 3.63 2.01 0.20 -3.25 115.64 117.73 3hn3 s THR 545 Ca 0.63 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.31 3hn3 s THR 545 Cb -0.43 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3hn3 s THR 545 CO 0.41 -0.17 0.86 -0.63 -0.69 0.00 0.00 174.62 174.40 3hn3 s ILE 546 N 2.36 4.59 -0.00 1.82 -1.09 -0.79 -4.75 121.20 123.34 3hn3 s ILE 546 Ca 0.07 0.75 -0.37 0.00 -2.23 0.00 0.00 60.65 58.87 3hn3 s ILE 546 Cb -0.15 -4.34 -0.16 0.00 -1.58 0.00 0.00 42.46 36.22 3hn3 s ILE 546 CO -0.12 -0.68 1.47 0.00 -1.23 0.00 0.00 174.94 174.38 3hn3 n ALA 547 N 6.83 -0.57 0.00 9.38 0.00 -1.26 -1.44 120.51 133.45 3hn3 n ALA 547 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3hn3 n ALA 547 Cb 0.48 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.04 1.73 3.67 0.00 0.00 -1.26 -5.05 105.19 107.32 3hn3 n GLY 548 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.37 3.04 -0.02 1.61 0.40 -0.52 -5.01 117.98 115.12 3hn3 s PHE 549 Ca 0.00 1.17 0.05 0.00 -0.60 0.00 0.00 56.93 57.54 3hn3 s PHE 549 Cb 0.00 -3.43 -0.01 0.00 0.51 0.00 0.00 43.02 40.09 3hn3 s PHE 549 CO 0.00 -1.31 -0.15 -1.01 0.70 0.00 0.00 175.22 173.44 3hn3 s HIS 550 N 3.15 1.40 -0.16 0.36 3.76 -1.26 -1.31 115.29 121.24 3hn3 s HIS 550 Ca 0.52 -0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 54.94 3hn3 s HIS 550 Cb -0.21 -0.91 0.05 0.00 1.11 0.00 0.00 32.58 32.63 3hn3 s HIS 550 CO 0.14 -0.04 0.55 -1.14 -0.85 0.00 0.00 174.74 173.40 3hn3 s GLN 551 N -0.28 0.73 -0.06 1.40 2.00 -1.26 -5.03 119.66 117.16 3hn3 s GLN 551 Ca 0.04 0.56 0.02 0.00 -2.00 0.00 0.00 55.36 53.99 3hn3 s GLN 551 Cb -0.07 0.35 0.01 0.00 0.80 0.00 0.00 33.01 34.11 3hn3 s GLN 551 CO -0.00 -0.14 -0.12 0.34 -0.50 0.00 0.00 175.29 174.87 3hn3 s ASP 552 N -0.18 1.70 0.97 6.67 2.15 -1.26 -3.56 116.67 123.16 3hn3 s ASP 552 Ca -0.04 -0.28 -0.11 0.00 0.43 0.00 0.00 52.55 52.55 3hn3 s ASP 552 Cb -0.03 -0.78 0.16 0.00 -0.30 0.00 0.00 42.92 41.97 3hn3 s ASP 552 CO 0.03 0.03 1.06 -2.65 -0.17 0.00 0.00 175.17 173.47 3hn3 n PRO 553 N 3.81 -0.79 -2.40 4.34 -0.02 -1.26 -5.08 135.00 133.59 3hn3 n PRO 553 Ca -0.23 -0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 60.69 3hn3 n PRO 553 Cb 0.52 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3hn3 n PRO 553 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hn3 s PRO 554 N -4.52 4.31 0.14 0.52 0.04 -1.23 -5.06 135.00 129.20 3hn3 s PRO 554 Ca 0.66 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.56 3hn3 s PRO 554 Cb -0.23 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 3hn3 s PRO 554 CO 0.60 -0.08 -0.19 -0.51 0.04 0.00 0.00 177.00 176.86 3hn3 s LEU 555 N -2.11 2.39 0.31 -3.56 1.43 -1.26 -4.91 118.68 110.97 3hn3 s LEU 555 Ca 0.52 -0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 3hn3 s LEU 555 Cb -0.30 -0.85 -0.14 0.00 0.03 0.00 0.00 46.19 44.93 3hn3 s LEU 555 CO 0.38 -0.00 0.88 0.23 0.23 0.00 0.00 176.35 178.06 3hn3 n MET 556 N 0.55 1.06 0.00 1.70 2.81 -1.26 -2.01 117.12 119.97 3hn3 n MET 556 Ca -0.15 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 3hn3 n MET 556 Cb 0.56 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.05 0.00 -2.64 2.03 3.72 -1.20 -5.05 117.46 114.27 3hn3 n PHE 557 Ca 0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.22 3hn3 n PHE 557 Cb 0.33 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.50 4.84 0.46 4.37 -4.23 -0.85 -1.88 115.64 115.83 3hn3 s THR 558 Ca 0.00 0.45 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 3hn3 s THR 558 Cb 0.00 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.23 3hn3 s THR 558 CO 0.00 -0.75 2.02 -0.33 -0.54 0.00 0.00 174.62 175.02 3hn3 h GLU 559 N 0.59 0.05 -0.19 3.99 5.08 -1.45 -2.40 114.58 120.25 3hn3 h GLU 559 Ca -0.47 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 57.71 3hn3 h GLU 559 Cb 1.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hn3 h GLU 559 CO 0.63 0.17 -0.59 0.93 -1.00 0.00 0.00 179.01 179.14 3hn3 h GLU 560 N 0.05 0.62 -0.63 2.33 3.07 -1.86 -1.81 114.58 116.36 3hn3 h GLU 560 Ca 0.01 -0.42 -0.07 0.00 -0.50 0.00 0.00 59.36 58.38 3hn3 h GLU 560 Cb 0.24 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3hn3 h GLU 560 CO 0.02 1.03 0.13 -0.92 -1.40 0.00 0.00 179.01 177.87 3hn3 h TYR 561 N 0.47 1.09 0.04 4.33 5.03 -1.67 -0.49 116.97 125.77 3hn3 h TYR 561 Ca -0.00 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.17 3hn3 h TYR 561 Cb 1.16 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 39.13 3hn3 h TYR 561 CO 0.05 0.92 -0.04 0.37 -1.32 0.00 0.00 178.16 178.14 3hn3 h GLN 562 N 0.94 -0.09 -0.46 1.82 4.15 -1.25 0.24 115.11 120.46 3hn3 h GLN 562 Ca 0.19 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.69 3hn3 h GLN 562 Cb 0.40 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 3hn3 h GLN 562 CO 0.01 -0.06 0.13 0.87 -1.93 0.00 0.00 178.83 177.84 3hn3 h LYS 563 N -0.10 0.27 -0.42 1.69 1.57 -1.18 -1.08 116.57 117.32 3hn3 h LYS 563 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3hn3 h LYS 563 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hn3 h LYS 563 CO -0.01 0.18 -0.18 1.03 -0.57 0.00 0.00 179.45 179.90 3hn3 h SER 564 N 0.28 0.89 -0.55 0.86 0.87 -0.69 -0.47 113.55 114.74 3hn3 h SER 564 Ca 0.23 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3hn3 h SER 564 Cb 0.26 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3hn3 h SER 564 CO -0.26 1.09 0.32 0.25 -0.53 0.00 0.00 176.83 177.69 3hn3 h LEU 565 N 0.70 0.68 -0.74 2.23 6.46 -0.80 -1.47 115.31 122.36 3hn3 h LEU 565 Ca 0.10 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3hn3 h LEU 565 Cb 0.74 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 3hn3 h LEU 565 CO 0.06 0.55 0.46 -0.07 -0.62 0.00 0.00 178.44 178.82 3hn3 h LEU 566 N 0.74 0.87 -0.83 2.25 4.07 -0.91 -1.69 115.31 119.82 3hn3 h LEU 566 Ca 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3hn3 h LEU 566 Cb 0.01 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 3hn3 h LEU 566 CO -0.03 0.66 0.45 -0.33 -1.08 0.00 0.00 178.44 178.11 3hn3 h GLU 567 N 1.01 1.17 -0.20 1.13 5.08 -0.57 0.13 114.58 122.32 3hn3 h GLU 567 Ca 0.27 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3hn3 h GLU 567 Cb -0.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3hn3 h GLU 567 CO -0.05 0.86 -0.35 1.96 -1.00 0.00 0.00 179.01 180.42 3hn3 h GLN 568 N 1.16 0.59 -0.59 2.33 1.08 -1.08 -0.82 115.11 117.77 3hn3 h GLN 568 Ca 0.29 -0.37 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 3hn3 h GLN 568 Cb 0.04 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 3hn3 h GLN 568 CO -0.05 0.98 0.25 1.88 -0.95 0.00 0.00 178.83 180.94 3hn3 h TYR 569 N 0.26 0.45 -0.63 2.96 -1.99 -1.12 -1.92 116.97 114.97 3hn3 h TYR 569 Ca 0.01 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 3hn3 h TYR 569 Cb 0.95 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.54 3hn3 h TYR 569 CO 0.09 0.16 0.18 0.45 -0.00 0.00 0.00 178.16 179.04 3hn3 h HIS 570 N 0.46 1.01 -0.55 4.88 3.86 -0.57 0.28 115.15 124.51 3hn3 h HIS 570 Ca 0.28 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 3hn3 h HIS 570 Cb 0.29 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3hn3 h HIS 570 CO -0.14 0.82 -0.05 -0.07 0.86 0.00 0.00 177.93 179.35 3hn3 h LEU 571 N 0.94 0.98 -0.08 2.43 3.38 -0.89 -0.80 115.31 121.27 3hn3 h LEU 571 Ca 0.21 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hn3 h LEU 571 Cb 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hn3 h LEU 571 CO -0.00 1.06 0.02 1.23 0.09 0.00 0.00 178.44 180.84 3hn3 h GLY 572 N 0.98 0.14 1.11 0.83 0.00 -0.75 -3.08 103.07 102.29 3hn3 h GLY 572 Ca 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.44 3hn3 h GLY 572 CO 0.04 0.08 0.48 1.41 0.00 0.00 0.00 176.54 178.55 3hn3 h LEU 573 N -0.07 0.73 -1.76 3.11 3.38 -0.33 -1.12 115.31 119.25 3hn3 h LEU 573 Ca 0.03 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hn3 h LEU 573 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hn3 h LEU 573 CO -0.00 0.49 0.24 0.44 0.09 0.00 0.00 178.44 179.70 3hn3 h ASP 574 N 0.84 0.27 1.03 -0.43 3.32 -1.06 -0.36 116.42 120.03 3hn3 h ASP 574 Ca 0.30 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hn3 h ASP 574 Cb 0.14 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hn3 h ASP 574 CO -0.09 0.18 0.00 1.56 -1.72 0.00 0.00 179.24 179.17 3hn3 h GLN 575 N 0.31 0.00 0.00 3.56 1.08 -1.14 -3.33 115.11 115.59 3hn3 h GLN 575 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3hn3 h GLN 575 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3hn3 h GLN 575 CO -0.03 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.48 3hn3 n LYS 576 N -2.31 2.68 0.00 1.46 4.76 -0.96 -4.84 118.16 118.95 3hn3 n LYS 576 Ca 0.03 -0.08 0.09 0.00 -2.87 0.00 0.00 58.31 55.49 3hn3 n LYS 576 Cb 0.31 -0.42 0.43 0.00 -1.84 0.00 0.00 35.03 33.51 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 -0.41 0.05 -0.47 1.97 1.85 -0.19 -1.49 116.66 117.98 3hn3 n ARG 577 Ca 0.00 0.15 0.08 0.00 -1.00 0.00 0.00 57.85 57.09 3hn3 n ARG 577 Cb 0.03 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.46 3.35 0.00 2.89 5.12 -1.26 -4.67 116.66 120.64 3hn3 n ARG 578 Ca 0.06 -2.68 0.00 0.00 -1.93 0.00 0.00 57.85 53.30 3hn3 n ARG 578 Cb 0.21 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 3hn3 n ARG 578 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hn3 n LYS 579 N 0.56 0.00 0.00 5.56 5.02 -0.56 -5.03 118.16 123.72 3hn3 n LYS 579 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3hn3 n LYS 579 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.05 0.00 -2.85 2.13 0.18 -0.89 -4.76 117.16 109.92 3hn3 n TYR 580 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3hn3 n TYR 580 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 3hn3 n TYR 580 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hn3 s VAL 581 N -0.14 4.73 -1.17 -3.48 1.01 -0.86 -1.54 120.40 118.95 3hn3 s VAL 581 Ca 0.00 1.40 0.13 0.00 0.00 0.00 0.00 61.98 63.51 3hn3 s VAL 581 Cb 0.00 -4.21 0.34 0.00 0.00 0.00 0.00 36.38 32.51 3hn3 s VAL 581 CO 0.00 -0.27 1.26 1.33 0.00 0.00 0.00 175.10 177.42 3hn3 n VAL 582 N 5.56 0.89 -3.58 2.92 0.24 0.87 -4.30 118.33 120.93 3hn3 n VAL 582 Ca 0.06 -0.94 -0.05 0.00 -2.04 0.00 0.00 64.34 61.37 3hn3 n VAL 582 Cb 0.48 0.59 -0.02 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 -1.01 -0.34 -0.09 7.63 0.00 -1.21 -1.22 107.32 111.07 3hn3 s GLY 583 Ca 0.26 1.33 -0.05 0.00 0.00 0.00 0.00 44.72 46.27 3hn3 s GLY 583 CO 0.19 0.43 0.21 -1.83 0.00 0.00 0.00 173.10 172.10 3hn3 s GLU 584 N -2.63 0.17 -0.16 2.90 -1.05 -0.09 -1.08 118.70 116.77 3hn3 s GLU 584 Ca 0.09 0.46 -0.01 0.00 -0.15 0.00 0.00 54.97 55.36 3hn3 s GLU 584 Cb -0.01 -0.12 0.04 0.00 -0.44 0.00 0.00 34.13 33.61 3hn3 s GLU 584 CO -0.05 -0.15 -0.05 -0.51 0.95 0.00 0.00 175.26 175.45 3hn3 s LEU 585 N 1.12 1.52 0.31 1.83 1.43 -0.21 -1.55 118.68 123.12 3hn3 s LEU 585 Ca -0.08 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 3hn3 s LEU 585 Cb -0.10 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 3hn3 s LEU 585 CO -0.07 -0.18 1.17 -0.51 0.23 0.00 0.00 176.35 176.99 3hn3 s ILE 586 N 1.66 3.22 -0.34 -0.59 2.07 -1.04 -3.60 121.20 122.57 3hn3 s ILE 586 Ca 0.01 1.21 -0.14 0.00 -1.41 0.00 0.00 60.65 60.32 3hn3 s ILE 586 Cb -0.15 -3.76 -0.01 0.00 0.13 0.00 0.00 42.46 38.67 3hn3 s ILE 586 CO -0.08 0.27 0.28 0.86 -1.91 0.00 0.00 174.94 174.36 3hn3 s TRP 587 N -1.18 3.22 0.14 3.50 -0.11 0.17 -1.81 118.94 122.87 3hn3 s TRP 587 Ca 0.47 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.62 3hn3 s TRP 587 Cb -0.34 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.05 3hn3 s TRP 587 CO 0.44 -0.39 0.02 1.21 -4.62 0.00 0.00 176.95 173.62 3hn3 s ASN 588 N 1.72 0.77 0.18 5.86 3.84 -0.77 -4.25 114.94 122.30 3hn3 s ASN 588 Ca 0.08 -1.17 -0.18 0.00 0.21 0.00 0.00 52.86 51.80 3hn3 s ASN 588 Cb -0.17 0.20 0.14 0.00 -0.55 0.00 0.00 41.25 40.86 3hn3 s ASN 588 CO 0.11 -0.64 1.62 0.15 -2.79 0.00 0.00 177.10 175.56 3hn3 h PHE 589 N 2.81 -0.53 -3.55 0.43 3.04 -1.07 -0.66 116.94 117.41 3hn3 h PHE 589 Ca -0.36 0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.51 3hn3 h PHE 589 Cb 1.20 0.31 -0.19 0.00 2.56 0.00 0.00 35.95 39.82 3hn3 h PHE 589 CO 0.49 -0.30 -0.46 0.00 -2.02 0.00 0.00 178.31 176.02 3hn3 s ALA 590 N -6.14 -0.31 0.19 2.41 0.00 -1.26 -1.11 121.76 115.54 3hn3 s ALA 590 Ca -0.14 -0.22 -0.32 0.00 0.00 0.00 0.00 51.96 51.28 3hn3 s ALA 590 Cb 0.16 0.17 -0.16 0.00 0.00 0.00 0.00 23.12 23.29 3hn3 s ALA 590 CO 0.71 -0.26 1.10 -0.25 0.00 0.00 0.00 175.76 177.06 3hn3 n ASP 591 N 1.15 1.17 -4.02 0.00 8.00 -0.80 -4.41 116.55 117.66 3hn3 n ASP 591 Ca -0.21 1.15 -0.10 0.00 0.71 0.00 0.00 54.79 56.34 3hn3 n ASP 591 Cb 0.57 -1.21 -0.08 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.37 0.54 0.23 1.24 -0.12 -0.72 -4.09 117.98 114.69 3hn3 s PHE 592 Ca 0.71 -0.90 -0.21 0.00 -0.05 0.00 0.00 56.93 56.48 3hn3 s PHE 592 Cb -0.84 -0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 41.30 3hn3 s PHE 592 CO 0.54 -0.68 0.74 1.41 -0.05 0.00 0.00 175.22 177.18 3hn3 s MET 593 N -4.00 4.30 0.30 1.99 -2.45 -1.26 -0.08 119.30 118.09 3hn3 s MET 593 Ca 0.20 0.92 0.03 0.00 -1.25 0.00 0.00 55.69 55.60 3hn3 s MET 593 Cb 0.04 -2.90 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 3hn3 s MET 593 CO 0.01 0.40 0.18 0.95 1.05 0.00 0.00 175.02 177.61 3hn3 s THR 594 N -1.50 0.23 0.71 10.11 -4.23 -1.26 -1.89 115.64 117.80 3hn3 s THR 594 Ca 0.43 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 3hn3 s THR 594 Cb -0.17 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.19 3hn3 s THR 594 CO 0.21 0.00 1.21 -1.61 -0.54 0.00 0.00 174.62 173.89 3hn3 s GLU 595 N -3.80 2.29 0.24 3.99 0.41 -1.26 -4.57 118.70 115.99 3hn3 s GLU 595 Ca 0.37 1.78 -0.31 0.00 -0.41 0.00 0.00 54.97 56.39 3hn3 s GLU 595 Cb 0.05 -1.85 -0.11 0.00 -1.78 0.00 0.00 34.13 30.44 3hn3 s GLU 595 CO 0.18 -1.73 1.58 -0.65 -0.49 0.00 0.00 175.26 174.16 3hn3 s GLN 596 N -3.82 4.17 0.03 1.61 -0.21 -1.26 -4.78 119.66 115.41 3hn3 s GLN 596 Ca 0.75 2.48 -0.28 0.00 0.02 0.00 0.00 55.36 58.33 3hn3 s GLN 596 Cb -0.30 -3.08 0.09 0.00 1.00 0.00 0.00 33.01 30.73 3hn3 s GLN 596 CO 0.43 -0.61 0.90 -1.54 -2.12 0.00 0.00 175.29 172.35 3hn3 s SER 597 N 0.77 -0.33 0.02 5.90 1.04 -1.26 -5.03 113.70 114.81 3hn3 s SER 597 Ca 0.66 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 57.07 3hn3 s SER 597 Cb -0.46 0.41 0.22 0.00 0.10 0.00 0.00 66.02 66.28 3hn3 s SER 597 CO 0.40 -0.68 1.15 -2.65 0.98 0.00 0.00 173.24 172.44 3hn3 n PRO 598 N -0.29 0.01 -0.10 4.02 -0.02 -1.26 -1.78 135.00 135.58 3hn3 n PRO 598 Ca -0.08 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3hn3 n PRO 598 Cb 0.62 -1.53 0.13 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.54 0.41 -3.97 3.45 -2.24 -1.26 -4.87 114.28 104.27 3hn3 n THR 599 Ca 0.01 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 3hn3 n THR 599 Cb 0.05 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.17 1.68 -0.95 -0.78 1.81 -0.73 -5.02 118.95 113.78 3hn3 s ARG 600 Ca 0.24 -1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 52.87 3hn3 s ARG 600 Cb 0.15 -2.70 0.13 0.00 -0.45 0.00 0.00 34.95 32.08 3hn3 s ARG 600 CO 0.20 -0.67 1.16 0.08 -0.68 0.00 0.00 175.30 175.40 3hn3 s VAL 601 N 1.28 4.73 -1.30 3.52 1.01 -1.26 -4.08 120.40 124.29 3hn3 s VAL 601 Ca -0.03 -1.64 -0.07 0.00 0.00 0.00 0.00 61.98 60.24 3hn3 s VAL 601 Cb -0.19 -4.80 -0.00 0.00 0.00 0.00 0.00 36.38 31.39 3hn3 s VAL 601 CO -0.07 -1.53 0.59 0.18 0.00 0.00 0.00 175.10 174.27 3hn3 n LEU 602 N 6.55 -2.58 0.00 3.92 4.77 -1.26 -4.74 117.00 123.65 3hn3 n LEU 602 Ca 0.25 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3hn3 n LEU 602 Cb 0.49 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 3hn3 n LEU 602 CO 0.52 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3hn3 n GLY 603 N -1.81 -1.79 3.65 -0.72 0.00 -1.26 -4.77 105.19 98.48 3hn3 n GLY 603 Ca -0.24 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 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 6.31 -0.27 1.61 3.84 0.88 -4.64 114.94 118.67 3hn3 s ASN 604 Ca 0.00 0.36 0.12 0.00 0.21 0.00 0.00 52.86 53.54 3hn3 s ASN 604 Cb 0.00 -2.20 0.58 0.00 -0.55 0.00 0.00 41.25 39.08 3hn3 s ASN 604 CO 0.00 -0.08 1.56 0.29 -2.79 0.00 0.00 177.10 176.08 3hn3 n LYS 605 N 4.70 2.66 -0.02 0.43 4.76 -1.26 -1.75 118.16 127.68 3hn3 n LYS 605 Ca -0.10 -3.03 0.12 0.00 -2.87 0.00 0.00 58.31 52.43 3hn3 n LYS 605 Cb 0.51 -1.94 0.59 0.00 -1.84 0.00 0.00 35.03 32.35 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 -0.71 1.26 -1.65 1.97 5.02 -1.26 -0.62 118.16 122.17 3hn3 n LYS 606 Ca 0.33 -0.39 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 3hn3 n LYS 606 Cb 1.11 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 34.75 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 0.97 0.10 0.16 0.72 0.00 -1.26 -1.85 105.19 104.04 3hn3 n GLY 607 Ca 0.17 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 1.80 0.18 -3.45 -0.61 3.07 -0.96 -3.44 117.51 114.10 3hn3 h ILE 608 Ca -0.45 -1.29 -0.66 0.00 1.55 0.00 0.00 64.86 64.01 3hn3 h ILE 608 Cb 1.32 1.90 -0.14 0.00 -0.27 0.00 0.00 36.82 39.64 3hn3 h ILE 608 CO 0.58 0.11 -0.70 -0.36 -1.05 0.00 0.00 178.15 176.73 3hn3 s PHE 609 N -3.19 2.88 1.00 0.16 0.40 -0.27 -1.35 117.98 117.61 3hn3 s PHE 609 Ca 0.03 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 3hn3 s PHE 609 Cb 0.07 -1.49 0.19 0.00 0.51 0.00 0.00 43.02 42.30 3hn3 s PHE 609 CO 0.74 0.45 1.08 0.95 0.70 0.00 0.00 175.22 179.14 3hn3 s THR 610 N -1.26 2.26 0.57 0.64 -4.23 0.48 -1.90 115.64 112.22 3hn3 s THR 610 Ca 0.23 0.09 0.39 0.00 -1.18 0.00 0.00 61.69 61.22 3hn3 s THR 610 Cb -0.11 -2.40 0.41 0.00 1.34 0.00 0.00 72.50 71.74 3hn3 s THR 610 CO 0.16 -0.11 2.28 -0.09 -0.54 0.00 0.00 174.62 176.32 3hn3 h ARG 611 N -1.99 0.00 -0.65 3.99 2.43 -1.91 -0.70 114.38 115.55 3hn3 h ARG 611 Ca -0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3hn3 h ARG 611 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3hn3 h ARG 611 CO 0.53 0.01 0.00 1.04 -1.51 0.00 0.00 179.97 180.04 3hn3 n GLN 612 N -3.31 3.31 -3.13 0.20 3.00 -1.26 -4.66 117.38 111.53 3hn3 n GLN 612 Ca -0.03 -2.13 -0.18 0.00 -0.01 0.00 0.00 57.00 54.65 3hn3 n GLN 612 Cb 0.11 -1.86 0.05 0.00 0.00 0.00 0.00 30.24 28.54 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 0.62 -5.12 -4.50 -1.09 3.00 -0.27 -5.04 116.66 104.26 3hn3 n ARG 613 Ca 0.19 0.67 -0.31 0.00 -0.01 0.00 0.00 57.85 58.39 3hn3 n ARG 613 Cb 0.78 -5.11 -0.12 0.00 0.00 0.00 0.00 32.46 28.01 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 -5.76 2.15 0.10 5.56 -1.52 -1.26 -4.91 119.66 114.02 3hn3 s GLN 614 Ca 0.36 -0.96 -0.30 0.00 -1.95 0.00 0.00 55.36 52.51 3hn3 s GLN 614 Cb -0.16 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.31 3hn3 s GLN 614 CO 0.44 0.54 0.99 -1.25 -0.25 0.00 0.00 175.29 175.76 3hn3 s PRO 615 N -1.65 4.65 0.95 2.91 0.04 -1.26 -0.38 135.00 140.25 3hn3 s PRO 615 Ca 0.17 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.55 3hn3 s PRO 615 Cb -0.11 -3.38 0.16 0.00 0.04 0.00 0.00 34.50 31.21 3hn3 s PRO 615 CO 0.08 0.13 1.17 0.15 0.04 0.00 0.00 177.00 178.58 3hn3 s LYS 616 N 0.18 0.83 0.31 4.56 1.02 -0.46 -4.91 119.74 121.28 3hn3 s LYS 616 Ca 0.49 0.10 -0.00 0.00 0.02 0.00 0.00 55.97 56.57 3hn3 s LYS 616 Cb -0.24 -1.82 0.51 0.00 -0.52 0.00 0.00 37.83 35.76 3hn3 s LYS 616 CO 0.30 -2.37 1.97 0.77 -0.92 0.00 0.00 175.35 175.10 3hn3 h SER 617 N -1.62 0.88 -0.22 2.83 0.02 -1.92 -2.08 113.55 111.43 3hn3 h SER 617 Ca -0.48 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3hn3 h SER 617 Cb 1.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3hn3 h SER 617 CO 0.54 0.63 0.16 0.00 -1.14 0.00 0.00 176.83 177.03 3hn3 h ALA 618 N 1.52 2.19 -0.85 3.77 0.00 -1.87 -2.50 119.26 121.52 3hn3 h ALA 618 Ca 0.29 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.29 3hn3 h ALA 618 Cb -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3hn3 h ALA 618 CO -0.07 -0.28 0.49 0.00 0.00 0.00 0.00 179.25 179.39 3hn3 h ALA 619 N 1.88 1.22 -0.30 0.00 0.00 -1.53 -1.44 119.26 119.09 3hn3 h ALA 619 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3hn3 h ALA 619 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hn3 h ALA 619 CO -0.00 0.12 -0.35 0.74 0.00 0.00 0.00 179.25 179.76 3hn3 h PHE 620 N 0.82 0.79 0.11 0.00 -1.00 -1.59 -0.86 116.94 115.21 3hn3 h PHE 620 Ca 0.41 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 3hn3 h PHE 620 Cb 0.38 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 3hn3 h PHE 620 CO -0.05 0.93 -0.07 1.25 -1.61 0.00 0.00 178.31 178.76 3hn3 h LEU 621 N 0.56 -0.16 -0.65 1.54 6.46 -1.42 -1.96 115.31 119.68 3hn3 h LEU 621 Ca 0.06 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 3hn3 h LEU 621 Cb 0.87 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 3hn3 h LEU 621 CO 0.08 -0.11 0.17 0.25 -0.62 0.00 0.00 178.44 178.21 3hn3 h LEU 622 N -0.17 0.98 -0.43 2.25 5.85 -1.20 -2.54 115.31 120.04 3hn3 h LEU 622 Ca -0.01 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3hn3 h LEU 622 Cb 0.14 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3hn3 h LEU 622 CO 0.01 0.95 0.09 -0.09 -0.34 0.00 0.00 178.44 179.06 3hn3 h ARG 623 N 0.96 0.22 -0.63 1.25 2.43 -1.04 0.01 114.38 117.57 3hn3 h ARG 623 Ca 0.21 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 3hn3 h ARG 623 Cb 0.34 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3hn3 h ARG 623 CO -0.00 0.14 0.32 0.93 -1.51 0.00 0.00 179.97 179.86 3hn3 h GLU 624 N 0.22 0.57 -0.26 0.20 4.39 -1.10 -1.47 114.58 117.12 3hn3 h GLU 624 Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3hn3 h GLU 624 Cb 0.25 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3hn3 h GLU 624 CO -0.27 0.38 0.13 -0.09 -1.16 0.00 0.00 179.01 178.00 3hn3 h ARG 625 N 0.59 0.38 -0.44 2.33 2.43 -0.93 -1.21 114.38 117.53 3hn3 h ARG 625 Ca 0.30 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3hn3 h ARG 625 Cb 0.24 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hn3 h ARG 625 CO -0.21 0.36 0.03 1.88 -1.51 0.00 0.00 179.97 180.52 3hn3 h TYR 626 N 0.30 0.82 -0.32 2.20 0.05 -0.62 0.31 116.97 119.71 3hn3 h TYR 626 Ca 0.09 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 3hn3 h TYR 626 Cb 0.11 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3hn3 h TYR 626 CO -0.02 0.80 -0.14 -1.49 -1.05 0.00 0.00 178.16 176.25 3hn3 h TRP 627 N 0.61 0.61 -0.28 4.88 4.06 -1.26 -0.59 115.95 123.98 3hn3 h TRP 627 Ca 0.13 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3hn3 h TRP 627 Cb 0.45 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3hn3 h TRP 627 CO 0.03 0.68 0.07 -0.22 -3.56 0.00 0.00 178.44 175.45 3hn3 h LYS 628 N 0.51 0.44 -0.37 0.49 3.64 -0.82 -1.35 116.57 119.12 3hn3 h LYS 628 Ca 0.09 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3hn3 h LYS 628 Cb 0.55 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3hn3 h LYS 628 CO 0.03 0.52 0.11 0.82 -2.27 0.00 0.00 179.45 178.67 3hn3 h ILE 629 N 0.28 1.21 -0.68 2.00 2.04 -0.83 -2.62 117.51 118.92 3hn3 h ILE 629 Ca 0.09 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3hn3 h ILE 629 Cb 0.28 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3hn3 h ILE 629 CO 0.00 0.24 0.45 0.00 0.00 0.00 0.00 178.15 178.84 3hn3 h ALA 630 N 0.96 1.58 0.00 1.87 0.00 -1.06 -2.21 119.26 120.41 3hn3 h ALA 630 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hn3 h ALA 630 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hn3 h ALA 630 CO -0.00 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.70 3hn3 n ASN 631 N -4.45 0.64 0.30 0.00 3.02 -0.51 -2.82 115.26 111.44 3hn3 n ASN 631 Ca 0.08 0.58 0.21 0.00 -0.03 0.00 0.00 54.58 55.41 3hn3 n ASN 631 Cb 0.10 -0.74 1.10 0.00 -0.61 0.00 0.00 39.78 39.62 3hn3 n ASN 631 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hn3 h GLU 632 N 0.00 0.00 0.00 3.52 5.08 -1.03 -3.51 114.58 118.64 3hn3 h GLU 632 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hn3 h GLU 632 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3hn3 h GLU 632 CO 0.00 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.42