#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hn3 h LEU 23 N 0.00 -0.12 -8.07 0.99 4.07 -1.92 -3.40 115.31 106.86 3hn3 h LEU 23 Ca 0.00 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.30 3hn3 h LEU 23 Cb 0.00 0.03 -0.16 0.00 1.08 0.00 0.00 40.66 41.61 3hn3 h LEU 23 CO 0.00 -0.08 0.85 -1.10 -1.08 0.00 0.00 178.44 177.03 3hn3 s GLN 24 N -6.16 3.47 2.80 1.13 -1.52 -1.26 -4.97 119.66 113.15 3hn3 s GLN 24 Ca -0.14 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 3hn3 s GLN 24 Cb 0.06 -4.79 0.00 0.00 -0.22 0.00 0.00 33.01 28.05 3hn3 s GLN 24 CO 0.65 -1.85 0.00 0.41 -0.25 0.00 0.00 175.29 174.26 3hn3 n GLY 25 N 5.64 0.76 3.94 3.09 0.00 -1.26 -4.89 105.19 112.47 3hn3 n GLY 25 Ca 0.18 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.03 1.77 -0.43 -0.02 0.00 -1.25 -4.73 107.32 98.64 3hn3 s GLY 26 Ca 0.00 -1.30 0.08 0.00 0.00 0.00 0.00 44.72 43.50 3hn3 s GLY 26 CO 0.00 -0.59 1.09 -0.13 0.00 0.00 0.00 173.10 173.47 3hn3 n MET 27 N -3.55 1.05 -2.29 2.90 1.56 -1.26 -4.99 117.12 110.54 3hn3 n MET 27 Ca 0.15 -2.22 -0.40 0.00 -0.27 0.00 0.00 57.70 54.96 3hn3 n MET 27 Cb 0.60 -0.97 -0.03 0.00 2.15 0.00 0.00 33.22 34.96 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 -2.51 4.43 -0.04 -0.89 1.43 -1.26 -4.76 118.68 115.07 3hn3 s LEU 28 Ca 0.25 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.51 3hn3 s LEU 28 Cb 0.33 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 3hn3 s LEU 28 CO -0.06 -0.41 1.61 -0.47 0.23 0.00 0.00 176.35 177.25 3hn3 s TYR 29 N -1.21 2.15 0.31 0.29 5.04 -1.26 -4.92 117.35 117.75 3hn3 s TYR 29 Ca 0.49 0.30 -0.29 0.00 -2.44 0.00 0.00 57.07 55.13 3hn3 s TYR 29 Cb -0.35 -3.88 -0.13 0.00 0.35 0.00 0.00 41.96 37.96 3hn3 s TYR 29 CO 0.45 -3.62 1.34 -2.30 -1.34 0.00 0.00 175.55 170.08 3hn3 n PRO 30 N 6.76 2.13 -3.80 4.97 -0.02 -1.26 -5.01 135.00 138.77 3hn3 n PRO 30 Ca 0.17 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3hn3 n PRO 30 Cb 0.43 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3hn3 n PRO 30 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3hn3 s GLN 31 N -1.39 0.72 0.31 -0.52 -2.07 -1.26 -5.12 119.66 110.34 3hn3 s GLN 31 Ca 0.59 -0.49 -0.27 0.00 -1.82 0.00 0.00 55.36 53.37 3hn3 s GLN 31 Cb -0.59 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 31.55 3hn3 s GLN 31 CO 0.58 -0.21 1.01 -1.21 -1.32 0.00 0.00 175.29 174.13 3hn3 s GLU 32 N -2.27 4.56 0.28 9.60 8.01 -1.26 -4.67 118.70 132.95 3hn3 s GLU 32 Ca -0.07 1.53 -0.12 0.00 0.01 0.00 0.00 54.97 56.32 3hn3 s GLU 32 Cb -0.02 -2.94 0.00 0.00 -4.31 0.00 0.00 34.13 26.87 3hn3 s GLU 32 CO -0.02 0.21 0.53 -1.54 0.01 0.00 0.00 175.26 174.45 3hn3 s SER 33 N -1.33 0.08 0.57 -0.19 1.04 -0.39 -4.94 113.70 108.54 3hn3 s SER 33 Ca 0.49 -1.03 0.32 0.00 0.48 0.00 0.00 55.95 56.21 3hn3 s SER 33 Cb -0.24 0.64 1.44 0.00 0.10 0.00 0.00 66.02 67.95 3hn3 s SER 33 CO 0.31 -1.24 1.77 -0.65 0.98 0.00 0.00 173.24 174.41 3hn3 h PRO 34 N 2.19 0.00 -0.07 4.02 0.11 -1.97 -1.37 132.00 134.91 3hn3 h PRO 34 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 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 0.36 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.02 3hn3 n SER 35 N -3.87 2.38 -3.80 -2.05 3.41 -1.26 -5.00 113.62 103.42 3hn3 n SER 35 Ca 0.19 -1.68 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 3hn3 n SER 35 Cb 1.08 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.84 3hn3 n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hn3 s ARG 36 N -1.24 0.03 0.30 4.33 0.52 -0.52 -4.15 118.95 118.22 3hn3 s ARG 36 Ca 0.19 0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.61 3hn3 s ARG 36 Cb 0.13 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 3hn3 s ARG 36 CO 0.19 -0.12 0.17 -1.21 0.02 0.00 0.00 175.30 174.35 3hn3 s GLU 37 N 0.80 2.62 -0.03 3.54 2.02 -1.23 -1.27 118.70 125.14 3hn3 s GLU 37 Ca -0.07 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3hn3 s GLU 37 Cb -0.10 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.79 3hn3 s GLU 37 CO -0.02 0.25 0.00 0.00 0.02 0.00 0.00 175.26 175.51 3hn3 s LYS 39 N 1.16 1.39 0.34 0.00 2.20 0.56 -5.01 119.74 120.39 3hn3 s LYS 39 Ca -0.08 -0.94 -0.27 0.00 -0.36 0.00 0.00 55.97 54.32 3hn3 s LYS 39 Cb -0.13 -2.50 -0.09 0.00 -1.51 0.00 0.00 37.83 33.60 3hn3 s LYS 39 CO -0.02 -0.65 1.10 -1.21 -0.36 0.00 0.00 175.35 174.22 3hn3 s GLU 40 N 1.47 4.36 -0.44 4.03 8.01 -1.26 -1.31 118.70 133.56 3hn3 s GLU 40 Ca -0.03 1.73 0.04 0.00 0.01 0.00 0.00 54.97 56.72 3hn3 s GLU 40 Cb -0.18 -2.88 0.44 0.00 -4.31 0.00 0.00 34.13 27.20 3hn3 s GLU 40 CO -0.08 -0.02 1.44 1.28 0.01 0.00 0.00 175.26 177.89 3hn3 n LEU 41 N 0.55 5.73 -4.82 1.80 4.77 0.14 -4.93 117.00 120.24 3hn3 n LEU 41 Ca 0.02 -4.71 -0.31 0.00 -0.03 0.00 0.00 56.01 50.97 3hn3 n LEU 41 Cb 0.47 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3hn3 n LEU 41 CO 0.51 1.95 0.71 -1.81 -1.33 0.00 0.00 177.39 177.42 3hn3 s ASP 42 N -3.01 5.52 0.00 -1.43 1.01 -1.26 -4.77 116.67 112.74 3hn3 s ASP 42 Ca 0.54 1.63 0.00 0.00 0.71 0.00 0.00 52.55 55.43 3hn3 s ASP 42 Cb 0.43 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.87 3hn3 s ASP 42 CO -0.03 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.61 3hn3 n GLY 43 N -1.89 0.20 3.74 0.21 0.00 0.03 -4.97 105.19 102.51 3hn3 n GLY 43 Ca 0.08 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 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 4.45 0.17 0.99 1.43 -1.26 -0.74 118.68 123.71 3hn3 s LEU 44 Ca 0.00 1.52 0.11 0.00 -1.03 0.00 0.00 54.13 54.73 3hn3 s LEU 44 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 3hn3 s LEU 44 CO 0.00 -0.02 -0.24 0.26 0.23 0.00 0.00 176.35 176.58 3hn3 s TRP 45 N 0.06 2.19 0.39 0.29 0.52 -0.39 -4.94 118.94 117.05 3hn3 s TRP 45 Ca 0.41 -0.38 -0.23 0.00 0.02 0.00 0.00 56.10 55.91 3hn3 s TRP 45 Cb -0.21 -1.11 -0.10 0.00 -1.15 0.00 0.00 33.47 30.89 3hn3 s TRP 45 CO 0.24 0.42 0.97 -1.12 0.02 0.00 0.00 176.95 177.48 3hn3 s SER 46 N -2.48 7.02 -0.12 2.95 0.01 -0.03 -0.40 113.70 120.65 3hn3 s SER 46 Ca 0.17 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 59.11 3hn3 s SER 46 Cb -0.08 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.62 3hn3 s SER 46 CO 0.08 -0.30 0.35 0.12 0.41 0.00 0.00 173.24 173.90 3hn3 s PHE 47 N -1.90 -0.38 -0.15 2.43 2.19 -0.08 -1.10 117.98 119.00 3hn3 s PHE 47 Ca 0.58 0.90 -0.11 0.00 0.33 0.00 0.00 56.93 58.63 3hn3 s PHE 47 Cb -0.15 0.13 0.05 0.00 -1.31 0.00 0.00 43.02 41.74 3hn3 s PHE 47 CO 0.19 -0.21 0.37 0.50 1.83 0.00 0.00 175.22 177.91 3hn3 s ARG 48 N 0.07 0.40 0.17 10.12 3.52 -0.55 -0.87 118.95 131.81 3hn3 s ARG 48 Ca -0.01 0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 55.99 3hn3 s ARG 48 Cb -0.03 0.09 -0.08 0.00 -1.56 0.00 0.00 34.95 33.37 3hn3 s ARG 48 CO 0.01 -0.10 0.72 0.00 -0.81 0.00 0.00 175.30 175.11 3hn3 s ALA 49 N 0.76 3.46 -0.79 6.12 0.00 -1.26 -0.52 121.76 129.53 3hn3 s ALA 49 Ca -0.05 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 3hn3 s ALA 49 Cb -0.06 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.35 3hn3 s ALA 49 CO -0.05 0.33 0.95 0.34 0.00 0.00 0.00 175.76 177.32 3hn3 s ASP 50 N -1.35 6.47 -0.05 0.00 -1.08 -0.50 -4.89 116.67 115.27 3hn3 s ASP 50 Ca 0.37 -1.83 0.06 0.00 -0.52 0.00 0.00 52.55 50.64 3hn3 s ASP 50 Cb -0.20 -2.35 0.25 0.00 -1.46 0.00 0.00 42.92 39.16 3hn3 s ASP 50 CO 0.23 -1.06 1.03 0.49 0.52 0.00 0.00 175.17 176.37 3hn3 n PHE 51 N 6.30 0.55 -1.68 -5.34 3.72 -1.26 -4.61 117.46 115.13 3hn3 n PHE 51 Ca 0.10 -0.21 -0.38 0.00 -0.05 0.00 0.00 57.45 56.91 3hn3 n PHE 51 Cb 0.47 -0.14 0.05 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.78 -0.25 4.37 3.41 -1.26 -4.87 113.62 117.01 3hn3 n SER 52 Ca 0.09 0.90 0.02 0.00 -0.26 0.00 0.00 58.87 59.63 3hn3 n SER 52 Cb 0.42 -1.48 0.15 0.00 -0.26 0.00 0.00 64.21 63.04 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 0.99 0.43 -0.03 4.04 3.32 -2.04 0.10 116.42 123.23 3hn3 h ASP 53 Ca -0.49 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3hn3 h ASP 53 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3hn3 h ASP 53 CO 0.54 0.23 0.00 -0.46 -1.72 0.00 0.00 179.24 177.83 3hn3 n ASN 54 N -4.89 0.96 -0.77 6.45 0.23 -1.26 -4.92 115.26 111.05 3hn3 n ASN 54 Ca 0.12 -1.39 -0.10 0.00 -0.53 0.00 0.00 54.58 52.68 3hn3 n ASN 54 Cb 0.31 -0.02 -0.04 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.23 -1.55 0.00 -3.83 5.12 0.35 -4.81 116.66 111.72 3hn3 n ARG 55 Ca 0.19 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.95 3hn3 n ARG 55 Cb 0.25 -5.16 0.00 0.00 -1.16 0.00 0.00 32.46 26.39 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 -1.01 -0.08 -0.33 5.56 1.74 -1.26 -4.54 116.66 116.73 3hn3 n ARG 56 Ca -0.10 -0.60 0.22 0.00 -0.77 0.00 0.00 57.85 56.60 3hn3 n ARG 56 Cb 0.54 -0.90 0.49 0.00 -1.02 0.00 0.00 32.46 31.57 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 0.41 -0.16 5.56 2.43 -1.92 0.14 114.38 120.84 3hn3 h ARG 57 Ca 0.00 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3hn3 h ARG 57 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hn3 h ARG 57 CO 0.00 0.27 -0.16 0.78 -1.51 0.00 0.00 179.97 179.34 3hn3 h GLY 58 N 0.42 0.27 1.33 2.80 0.00 -1.96 0.13 103.07 106.05 3hn3 h GLY 58 Ca 0.62 -0.18 -0.32 0.00 0.00 0.00 0.00 47.33 47.46 3hn3 h GLY 58 CO -0.35 0.17 -1.46 0.74 0.00 0.00 0.00 176.54 175.64 3hn3 h PHE 59 N 0.24 0.71 -0.54 5.60 0.04 -1.39 -0.52 116.94 121.09 3hn3 h PHE 59 Ca 0.05 -0.52 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 3hn3 h PHE 59 Cb 0.44 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3hn3 h PHE 59 CO 0.01 1.46 0.28 0.93 -0.60 0.00 0.00 178.31 180.39 3hn3 h GLU 60 N 0.11 0.76 -0.01 1.51 5.08 -0.83 -2.73 114.58 118.47 3hn3 h GLU 60 Ca -0.23 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hn3 h GLU 60 Cb 2.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3hn3 h GLU 60 CO 0.22 0.60 -0.20 0.39 -1.00 0.00 0.00 179.01 179.03 3hn3 n GLU 61 N -4.61 1.11 -3.72 2.33 1.02 0.40 -4.99 120.64 112.18 3hn3 n GLU 61 Ca 0.03 -0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 56.18 3hn3 n GLU 61 Cb 0.10 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 3hn3 n GLU 61 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hn3 n GLN 62 N -0.35 -1.54 -0.24 3.49 6.02 -0.49 -4.84 117.38 119.43 3hn3 n GLN 62 Ca 0.14 0.44 0.19 0.00 -0.01 0.00 0.00 57.00 57.76 3hn3 n GLN 62 Cb 0.36 -4.15 0.51 0.00 1.02 0.00 0.00 30.24 27.99 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 -1.91 0.53 -0.00 1.08 6.55 -1.46 -1.85 115.95 118.89 3hn3 h TRP 63 Ca -0.66 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.20 3hn3 h TRP 63 Cb 1.36 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 29.50 3hn3 h TRP 63 CO 0.36 0.14 0.01 0.10 -1.05 0.00 0.00 178.44 178.00 3hn3 h TYR 64 N 0.40 0.00 0.00 0.49 -0.00 -1.89 -2.78 116.97 113.20 3hn3 h TYR 64 Ca 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.19 3hn3 h TYR 64 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.88 3hn3 h TYR 64 CO -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.13 3hn3 h ARG 65 N 0.00 0.00 -4.65 0.10 2.47 -1.62 -3.32 114.38 107.36 3hn3 h ARG 65 Ca 0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 3hn3 h ARG 65 Cb 0.02 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.19 3hn3 h ARG 65 CO -0.00 0.03 -0.69 1.03 0.56 0.00 0.00 179.97 180.90 3hn3 s ARG 66 N -3.70 0.88 0.22 0.04 1.81 -1.05 -4.84 118.95 112.30 3hn3 s ARG 66 Ca 0.01 -1.37 -0.28 0.00 -1.72 0.00 0.00 55.73 52.36 3hn3 s ARG 66 Cb 0.09 -0.17 -0.16 0.00 -0.45 0.00 0.00 34.95 34.26 3hn3 s ARG 66 CO 0.55 -0.05 0.67 -2.30 -0.68 0.00 0.00 175.30 173.49 3hn3 n PRO 67 N -0.07 0.38 -0.11 3.54 -0.02 -1.26 -4.84 135.00 132.61 3hn3 n PRO 67 Ca -0.11 0.13 -0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3hn3 n PRO 67 Cb 0.61 -1.25 0.26 0.00 -0.02 0.00 0.00 33.50 33.10 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 1.35 0.70 -2.37 2.45 5.85 -1.96 -1.99 115.31 119.35 3hn3 h LEU 68 Ca -0.32 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3hn3 h LEU 68 Cb 1.41 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 3hn3 h LEU 68 CO 0.58 0.62 0.03 4.11 -0.34 0.00 0.00 178.44 183.45 3hn3 h TRP 69 N 0.77 0.00 0.00 1.25 5.08 -1.88 -2.05 115.95 119.12 3hn3 h TRP 69 Ca 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.13 3hn3 h TRP 69 Cb 0.13 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.29 3hn3 h TRP 69 CO 0.01 0.00 -0.15 0.93 -1.28 0.00 0.00 178.44 177.95 3hn3 h GLU 70 N 0.00 0.00 -0.01 0.12 5.08 -1.70 -2.89 114.58 115.18 3hn3 h GLU 70 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hn3 h GLU 70 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hn3 h GLU 70 CO -0.00 0.15 -0.23 -1.13 -1.00 0.00 0.00 179.01 176.79 3hn3 n SER 71 N -3.63 1.37 0.00 1.42 3.41 -0.77 -5.04 113.62 110.38 3hn3 n SER 71 Ca -0.02 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 3hn3 n SER 71 Cb 0.27 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.32 -0.57 3.77 5.00 0.00 -1.09 -5.12 105.19 108.50 3hn3 n GLY 72 Ca 0.13 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3hn3 n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hn3 s PRO 73 N -1.96 4.15 0.21 1.61 0.02 -1.26 -4.50 135.00 133.26 3hn3 s PRO 73 Ca 0.00 2.52 0.05 0.00 0.02 0.00 0.00 61.00 63.59 3hn3 s PRO 73 Cb 0.00 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 3hn3 s PRO 73 CO 0.00 -0.52 -0.05 0.95 -0.33 0.00 0.00 177.00 177.05 3hn3 s THR 74 N -0.74 1.21 0.20 0.99 -4.23 -1.26 -4.79 115.64 107.02 3hn3 s THR 74 Ca 0.56 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 3hn3 s THR 74 Cb -0.46 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 3hn3 s THR 74 CO 0.57 -0.48 0.00 0.68 -0.54 0.00 0.00 174.62 174.84 3hn3 s VAL 75 N -3.30 0.82 0.33 2.29 -7.23 -0.05 -4.91 120.40 108.36 3hn3 s VAL 75 Ca 0.24 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 3hn3 s VAL 75 Cb 0.04 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 3hn3 s VAL 75 CO 0.06 -0.40 1.10 -1.81 -0.31 0.00 0.00 175.10 173.74 3hn3 s ASP 76 N -3.23 6.99 -0.04 4.85 1.01 -1.26 -0.90 116.67 124.09 3hn3 s ASP 76 Ca 0.26 2.22 -0.01 0.00 0.71 0.00 0.00 52.55 55.73 3hn3 s ASP 76 Cb 0.06 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.41 3hn3 s ASP 76 CO 0.06 -0.33 0.06 -0.32 0.21 0.00 0.00 175.17 174.85 3hn3 s MET 77 N -1.89 -0.05 0.41 8.23 1.75 0.47 -4.88 119.30 123.34 3hn3 s MET 77 Ca 0.50 0.32 -0.24 0.00 -1.25 0.00 0.00 55.69 55.02 3hn3 s MET 77 Cb -0.29 -0.37 -0.08 0.00 2.84 0.00 0.00 34.83 36.93 3hn3 s MET 77 CO 0.37 -0.26 1.13 -1.25 -0.65 0.00 0.00 175.02 174.36 3hn3 s PRO 78 N 1.69 4.04 -0.05 4.11 0.04 -1.26 -1.27 135.00 142.31 3hn3 s PRO 78 Ca -0.01 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.76 3hn3 s PRO 78 Cb -0.12 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.85 3hn3 s PRO 78 CO -0.03 -0.30 -0.06 0.08 0.04 0.00 0.00 177.00 176.73 3hn3 s VAL 79 N -1.51 0.67 0.33 -0.36 1.01 0.08 -3.72 120.40 116.89 3hn3 s VAL 79 Ca 0.58 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 3hn3 s VAL 79 Cb -0.27 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 3hn3 s VAL 79 CO 0.34 0.26 1.05 -2.16 0.00 0.00 0.00 175.10 174.59 3hn3 s PRO 80 N 0.90 4.47 -0.23 2.72 0.04 -1.26 -0.79 135.00 140.85 3hn3 s PRO 80 Ca -0.11 1.63 -0.35 0.00 0.04 0.00 0.00 61.00 62.21 3hn3 s PRO 80 Cb -0.15 -2.92 0.15 0.00 0.04 0.00 0.00 34.50 31.63 3hn3 s PRO 80 CO 0.01 0.11 1.27 0.45 0.04 0.00 0.00 177.00 178.87 3hn3 s SER 81 N -1.22 -0.10 0.52 6.66 0.15 -0.35 -4.56 113.70 114.79 3hn3 s SER 81 Ca 0.50 0.03 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 3hn3 s SER 81 Cb -0.27 0.10 -0.08 0.00 -1.71 0.00 0.00 66.02 64.06 3hn3 s SER 81 CO 0.34 -0.15 0.99 -0.44 1.20 0.00 0.00 173.24 175.18 3hn3 s SER 82 N -1.86 6.60 0.18 5.45 0.01 -0.10 -3.57 113.70 120.41 3hn3 s SER 82 Ca 0.09 1.57 0.24 0.00 1.31 0.00 0.00 55.95 59.17 3hn3 s SER 82 Cb -0.01 -2.51 0.43 0.00 0.21 0.00 0.00 66.02 64.14 3hn3 s SER 82 CO -0.04 -0.61 1.44 2.19 0.41 0.00 0.00 173.24 176.63 3hn3 h PHE 83 N 0.89 0.00 -0.02 2.43 -5.15 -1.31 -3.41 116.94 110.37 3hn3 h PHE 83 Ca -0.47 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.19 3hn3 h PHE 83 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.34 3hn3 h PHE 83 CO 0.64 0.00 -0.53 -0.91 -2.00 0.00 0.00 178.31 175.51 3hn3 h ASN 84 N 0.00 0.06 -0.20 -0.68 4.21 -1.88 -3.03 115.58 114.05 3hn3 h ASN 84 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3hn3 h ASN 84 Cb 0.79 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 3hn3 h ASN 84 CO 0.00 0.58 0.00 0.47 -1.29 0.00 0.00 177.43 177.19 3hn3 n ASP 85 N -3.91 2.50 0.08 5.81 8.00 -1.26 -4.08 116.55 123.69 3hn3 n ASP 85 Ca -0.02 -1.76 -0.12 0.00 0.71 0.00 0.00 54.79 53.60 3hn3 n ASP 85 Cb 0.55 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 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 2.15 1.46 -1.08 0.53 1.08 -1.69 -3.46 117.51 116.51 3hn3 h ILE 86 Ca 0.00 -2.66 -0.50 0.00 -0.39 0.00 0.00 64.86 61.31 3hn3 h ILE 86 Cb 0.62 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 3hn3 h ILE 86 CO 0.00 0.78 -0.27 -0.94 -0.69 0.00 0.00 178.15 177.03 3hn3 s SER 87 N -7.04 5.04 -0.06 1.72 1.04 -1.26 -5.02 113.70 108.12 3hn3 s SER 87 Ca -0.04 -0.85 0.20 0.00 0.48 0.00 0.00 55.95 55.73 3hn3 s SER 87 Cb 0.09 -0.11 0.67 0.00 0.10 0.00 0.00 66.02 66.77 3hn3 s SER 87 CO 0.86 -0.96 1.57 0.00 0.98 0.00 0.00 173.24 175.69 3hn3 n GLN 88 N -1.82 3.21 -2.70 4.02 1.13 -1.26 -4.92 117.38 115.03 3hn3 n GLN 88 Ca 0.06 -2.69 -0.43 0.00 -1.94 0.00 0.00 57.00 52.00 3hn3 n GLN 88 Cb 0.62 -1.73 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 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 -0.93 6.58 0.23 1.08 -1.08 -1.26 -4.91 116.67 116.38 3hn3 s ASP 89 Ca 0.49 0.33 -0.07 0.00 -0.52 0.00 0.00 52.55 52.79 3hn3 s ASP 89 Cb 0.29 -2.50 0.40 0.00 -1.46 0.00 0.00 42.92 39.65 3hn3 s ASP 89 CO 0.28 -1.15 1.70 -0.50 0.52 0.00 0.00 175.17 176.02 3hn3 h TRP 90 N 9.12 0.28 0.00 -5.34 4.06 -1.98 -2.02 115.95 120.07 3hn3 h TRP 90 Ca -0.23 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 3hn3 h TRP 90 Cb 1.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3hn3 h TRP 90 CO 0.93 -0.05 -0.05 0.00 -3.56 0.00 0.00 178.44 175.71 3hn3 h ARG 91 N 0.29 0.00 -0.12 0.49 3.08 -1.99 -3.14 114.38 112.99 3hn3 h ARG 91 Ca 0.38 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.22 3hn3 h ARG 91 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.67 3hn3 h ARG 91 CO -0.46 0.05 -0.75 1.25 -1.07 0.00 0.00 179.97 178.99 3hn3 h LEU 92 N 0.00 0.87 -0.97 3.04 5.85 -1.75 -2.36 115.31 119.99 3hn3 h LEU 92 Ca -0.00 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.13 3hn3 h LEU 92 Cb 0.96 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3hn3 h LEU 92 CO 0.01 1.38 0.63 -0.09 -0.34 0.00 0.00 178.44 180.03 3hn3 h ARG 93 N 0.43 1.11 -0.44 1.25 2.43 -1.48 -2.53 114.38 115.15 3hn3 h ARG 93 Ca -0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hn3 h ARG 93 Cb 1.39 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hn3 h ARG 93 CO 0.15 0.74 0.00 0.72 -1.51 0.00 0.00 179.97 180.07 3hn3 n HIS 94 N -4.52 1.24 -1.73 2.20 8.25 -1.24 -4.86 115.22 114.56 3hn3 n HIS 94 Ca 0.15 -0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 3hn3 n HIS 94 Cb 0.17 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 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 0.30 2.55 -4.03 4.41 7.35 -0.89 -5.02 117.46 122.13 3hn3 n PHE 95 Ca 0.22 0.50 -0.25 0.00 -0.76 0.00 0.00 57.45 57.16 3hn3 n PHE 95 Cb 0.88 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 38.08 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 -1.04 0.93 -3.63 -2.13 1.01 -1.26 -5.00 120.40 109.28 3hn3 s VAL 96 Ca 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3hn3 s VAL 96 Cb -0.54 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3hn3 s VAL 96 CO 0.62 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.67 3hn3 n GLY 97 N 4.71 0.34 3.69 4.51 0.00 -1.26 -5.01 105.19 112.16 3hn3 n GLY 97 Ca -0.15 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.00 3.33 0.12 1.61 0.52 -1.26 -2.30 118.94 116.96 3hn3 s TRP 98 Ca 0.00 0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.40 3hn3 s TRP 98 Cb 0.00 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 3hn3 s TRP 98 CO 0.00 0.27 -0.08 0.14 0.02 0.00 0.00 176.95 177.30 3hn3 s VAL 99 N 0.17 3.45 -0.10 4.03 -7.23 -0.27 -1.41 120.40 119.03 3hn3 s VAL 99 Ca 0.06 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3hn3 s VAL 99 Cb -0.12 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.19 3hn3 s VAL 99 CO -0.00 0.05 -0.17 0.26 -0.31 0.00 0.00 175.10 174.93 3hn3 s TRP 100 N -1.36 2.05 0.09 2.82 0.52 0.32 -0.76 118.94 122.63 3hn3 s TRP 100 Ca 0.23 -0.91 0.09 0.00 0.02 0.00 0.00 56.10 55.53 3hn3 s TRP 100 Cb -0.11 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 3hn3 s TRP 100 CO 0.15 -0.44 -0.20 0.71 0.02 0.00 0.00 176.95 177.20 3hn3 s TYR 101 N 0.77 2.50 -0.16 -1.98 2.02 0.30 -1.48 117.35 119.32 3hn3 s TYR 101 Ca -0.11 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 3hn3 s TYR 101 Cb -0.16 -1.37 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3hn3 s TYR 101 CO 0.02 0.33 0.44 -2.00 -1.57 0.00 0.00 175.55 172.76 3hn3 s GLU 102 N -1.90 0.51 0.01 -0.62 2.12 -0.25 -0.74 118.70 117.82 3hn3 s GLU 102 Ca 0.16 0.60 0.01 0.00 0.36 0.00 0.00 54.97 56.10 3hn3 s GLU 102 Cb -0.10 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 3hn3 s GLU 102 CO 0.08 -0.06 -0.04 0.50 -0.54 0.00 0.00 175.26 175.20 3hn3 s ARG 103 N 0.22 0.31 -0.12 4.30 6.06 -0.68 -0.85 118.95 128.20 3hn3 s ARG 103 Ca -0.00 -0.30 -0.03 0.00 -2.50 0.00 0.00 55.73 52.89 3hn3 s ARG 103 Cb -0.03 -0.20 -0.03 0.00 0.06 0.00 0.00 34.95 34.75 3hn3 s ARG 103 CO 0.01 0.05 0.01 -1.21 -2.50 0.00 0.00 175.30 171.65 3hn3 s GLU 104 N -0.55 3.35 -0.07 5.12 2.02 -1.26 -0.79 118.70 126.52 3hn3 s GLU 104 Ca -0.03 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3hn3 s GLU 104 Cb -0.04 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3hn3 s GLU 104 CO -0.00 0.51 -0.16 0.08 0.02 0.00 0.00 175.26 175.71 3hn3 s VAL 105 N -0.34 1.41 -0.31 2.63 1.01 0.27 -4.93 120.40 120.13 3hn3 s VAL 105 Ca 0.07 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3hn3 s VAL 105 Cb -0.12 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 3hn3 s VAL 105 CO 0.02 0.41 0.74 -0.63 0.00 0.00 0.00 175.10 175.64 3hn3 s ILE 106 N 0.56 4.83 0.21 2.22 1.01 -1.26 0.12 121.20 128.89 3hn3 s ILE 106 Ca -0.16 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.46 3hn3 s ILE 106 Cb -0.16 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 3hn3 s ILE 106 CO 0.05 -0.24 0.49 -0.76 0.00 0.00 0.00 174.94 174.48 3hn3 s LEU 107 N 2.87 4.18 0.39 2.97 1.43 -1.26 -5.01 118.68 124.25 3hn3 s LEU 107 Ca 0.30 0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 53.90 3hn3 s LEU 107 Cb -0.14 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 3hn3 s LEU 107 CO 0.13 -0.06 1.37 -2.65 0.23 0.00 0.00 176.35 175.37 3hn3 n PRO 108 N -0.24 2.26 -0.28 1.29 -0.02 -1.26 -4.90 135.00 131.85 3hn3 n PRO 108 Ca -0.01 0.80 0.02 0.00 -2.02 0.00 0.00 63.50 62.29 3hn3 n PRO 108 Cb 0.52 -2.49 0.23 0.00 -0.02 0.00 0.00 33.50 31.74 3hn3 n PRO 108 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hn3 h GLU 109 N 2.50 1.03 -0.30 -0.52 5.08 -2.00 -2.13 114.58 118.24 3hn3 h GLU 109 Ca -0.49 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3hn3 h GLU 109 Cb 1.27 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3hn3 h GLU 109 CO 0.62 0.68 0.19 0.07 -1.00 0.00 0.00 179.01 179.57 3hn3 h ARG 110 N 1.06 0.40 -0.59 2.33 0.11 -1.97 0.16 114.38 115.87 3hn3 h ARG 110 Ca 0.34 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.36 3hn3 h ARG 110 Cb 0.05 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.01 3hn3 h ARG 110 CO -0.10 0.27 0.23 -1.49 0.10 0.00 0.00 179.97 178.98 3hn3 h TRP 111 N 0.41 0.90 0.08 4.08 4.06 -1.70 -0.60 115.95 123.19 3hn3 h TRP 111 Ca 0.11 -0.07 -0.26 0.00 2.06 0.00 0.00 58.89 60.72 3hn3 h TRP 111 Cb -0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 3hn3 h TRP 111 CO 0.00 0.73 -1.28 1.79 -3.56 0.00 0.00 178.44 176.12 3hn3 h THR 112 N 0.82 1.43 0.06 1.49 1.35 -1.35 -3.39 112.91 113.32 3hn3 h THR 112 Ca 0.20 -3.08 -0.34 0.00 -0.55 0.00 0.00 66.41 62.64 3hn3 h THR 112 Cb 0.21 2.83 -0.04 0.00 -1.73 0.00 0.00 68.15 69.43 3hn3 h THR 112 CO -0.02 0.87 -1.93 0.00 -0.25 0.00 0.00 175.52 174.20 3hn3 n GLN 113 N -3.42 0.70 -2.94 4.72 1.13 0.47 -4.49 117.38 113.54 3hn3 n GLN 113 Ca -0.09 0.26 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 3hn3 n GLN 113 Cb 1.01 -1.72 -0.05 0.00 0.11 0.00 0.00 30.24 29.59 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 -6.55 6.25 0.00 1.08 -1.08 -0.23 -4.93 116.67 111.21 3hn3 s ASP 114 Ca -0.15 -0.74 0.12 0.00 -0.52 0.00 0.00 52.55 51.25 3hn3 s ASP 114 Cb 0.07 -2.39 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 3hn3 s ASP 114 CO 0.79 -1.19 1.28 0.18 0.52 0.00 0.00 175.17 176.74 3hn3 n LEU 115 N 7.12 0.00 0.02 -1.34 4.77 -1.26 -1.33 117.00 124.98 3hn3 n LEU 115 Ca -0.03 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3hn3 n LEU 115 Cb 0.46 -0.27 0.50 0.00 -2.33 0.00 0.00 43.42 41.78 3hn3 n LEU 115 CO 0.61 -0.17 0.88 0.54 -1.33 0.00 0.00 177.39 177.93 3hn3 n ARG 116 N -1.27 0.04 -2.91 3.23 1.74 -1.26 -4.82 116.66 111.40 3hn3 n ARG 116 Ca 0.06 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.85 3hn3 n ARG 116 Cb 0.09 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 3hn3 n ARG 116 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hn3 s THR 117 N -3.03 4.97 -0.27 0.55 2.01 -0.44 -3.31 115.64 116.12 3hn3 s THR 117 Ca 0.11 1.69 -0.11 0.00 0.31 0.00 0.00 61.69 63.70 3hn3 s THR 117 Cb 0.15 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3hn3 s THR 117 CO 0.46 0.22 0.17 -0.60 -0.69 0.00 0.00 174.62 174.18 3hn3 s ARG 118 N 0.86 3.95 -0.21 4.92 3.52 0.11 -4.87 118.95 127.22 3hn3 s ARG 118 Ca 0.43 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.64 3hn3 s ARG 118 Cb -0.19 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3hn3 s ARG 118 CO 0.22 -0.12 0.04 0.08 -0.81 0.00 0.00 175.30 174.71 3hn3 s VAL 119 N 1.58 4.34 -0.07 7.11 1.01 -1.26 -1.88 120.40 131.22 3hn3 s VAL 119 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3hn3 s VAL 119 Cb -0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3hn3 s VAL 119 CO 0.09 0.41 -0.24 -0.69 0.00 0.00 0.00 175.10 174.68 3hn3 s VAL 120 N 0.94 2.16 -0.31 2.92 1.01 0.43 -0.23 120.40 127.31 3hn3 s VAL 120 Ca 0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 3hn3 s VAL 120 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3hn3 s VAL 120 CO 0.02 0.57 0.21 -0.22 0.00 0.00 0.00 175.10 175.67 3hn3 s LEU 121 N -0.02 4.26 -0.18 3.92 2.96 -0.47 -1.18 118.68 127.98 3hn3 s LEU 121 Ca -0.08 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3hn3 s LEU 121 Cb -0.15 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.44 3hn3 s LEU 121 CO 0.05 -0.16 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.18 3hn3 s ARG 122 N 1.71 3.19 -0.29 1.98 6.06 0.09 -1.61 118.95 130.09 3hn3 s ARG 122 Ca 0.06 -0.74 -0.10 0.00 -2.50 0.00 0.00 55.73 52.45 3hn3 s ARG 122 Cb -0.17 -2.71 -0.03 0.00 0.06 0.00 0.00 34.95 32.11 3hn3 s ARG 122 CO 0.10 -0.11 0.15 0.42 -2.50 0.00 0.00 175.30 173.36 3hn3 s ILE 123 N 1.14 4.80 0.21 4.11 -1.09 -0.04 -1.28 121.20 129.04 3hn3 s ILE 123 Ca 0.01 -0.16 -0.10 0.00 -2.23 0.00 0.00 60.65 58.17 3hn3 s ILE 123 Cb -0.14 -3.35 0.13 0.00 -1.58 0.00 0.00 42.46 37.52 3hn3 s ILE 123 CO -0.05 0.19 1.80 1.23 -1.23 0.00 0.00 174.94 176.87 3hn3 h GLY 124 N 8.34 0.93 -3.00 6.18 0.00 -1.52 -1.70 103.07 112.31 3hn3 h GLY 124 Ca -0.35 -0.23 0.13 0.00 0.00 0.00 0.00 47.33 46.89 3hn3 h GLY 124 CO 0.59 0.13 0.49 -1.35 0.00 0.00 0.00 176.54 176.40 3hn3 s SER 125 N -5.56 -0.30 0.00 0.19 1.04 -1.26 -2.16 113.70 105.65 3hn3 s SER 125 Ca -0.13 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3hn3 s SER 125 Cb 0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3hn3 s SER 125 CO 0.75 -0.72 0.00 0.00 0.98 0.00 0.00 173.24 174.26 3hn3 n ALA 126 N -0.33 0.00 -3.00 5.32 0.00 -1.26 -4.49 120.51 116.75 3hn3 n ALA 126 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 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 -0.26 0.00 -0.00 -1.26 -4.48 115.22 109.22 3hn3 n HIS 127 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 3hn3 n HIS 127 Cb 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.04 3hn3 n HIS 127 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 3hn3 h SER 128 N 0.00 0.45 -4.28 0.26 0.02 -1.67 -2.58 113.55 105.75 3hn3 h SER 128 Ca 0.00 0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 3hn3 h SER 128 Cb 0.00 0.01 -0.25 0.00 0.14 0.00 0.00 62.40 62.30 3hn3 h SER 128 CO 0.00 0.22 -0.64 -0.47 -1.14 0.00 0.00 176.83 174.80 3hn3 s TYR 129 N -6.03 0.04 -0.02 3.45 5.04 -1.04 -1.19 117.35 117.60 3hn3 s TYR 129 Ca -0.12 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 3hn3 s TYR 129 Cb 0.20 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.48 3hn3 s TYR 129 CO 0.77 -0.11 0.04 0.00 -1.34 0.00 0.00 175.55 174.91 3hn3 s ALA 130 N -0.60 -0.01 -0.02 3.97 0.00 -0.61 0.03 121.76 124.53 3hn3 s ALA 130 Ca -0.07 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3hn3 s ALA 130 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3hn3 s ALA 130 CO -0.00 -0.09 -0.24 0.42 0.00 0.00 0.00 175.76 175.86 3hn3 s ILE 131 N 0.77 2.27 -0.10 0.00 1.01 -0.26 -1.60 121.20 123.29 3hn3 s ILE 131 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.56 3hn3 s ILE 131 Cb -0.09 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3hn3 s ILE 131 CO -0.02 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 3hn3 s VAL 132 N -0.65 1.59 -0.02 2.92 1.01 0.10 -1.14 120.40 124.20 3hn3 s VAL 132 Ca 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3hn3 s VAL 132 Cb -0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3hn3 s VAL 132 CO -0.00 0.46 -0.08 0.26 0.00 0.00 0.00 175.10 175.73 3hn3 s TRP 133 N 0.70 2.87 -0.20 5.22 0.51 0.66 -1.35 118.94 127.35 3hn3 s TRP 133 Ca -0.13 -0.04 0.01 0.00 -2.12 0.00 0.00 56.10 53.83 3hn3 s TRP 133 Cb -0.16 -1.64 0.03 0.00 -0.81 0.00 0.00 33.47 30.89 3hn3 s TRP 133 CO 0.03 0.33 -0.18 0.08 -0.51 0.00 0.00 176.95 176.70 3hn3 s VAL 134 N -0.90 2.07 -1.61 4.03 1.01 -0.46 -1.22 120.40 123.31 3hn3 s VAL 134 Ca 0.15 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3hn3 s VAL 134 Cb -0.11 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.45 3hn3 s VAL 134 CO 0.05 0.43 0.84 0.59 0.00 0.00 0.00 175.10 177.00 3hn3 n ASN 135 N 4.59 -3.65 0.00 3.32 3.02 -0.13 -1.06 115.26 121.36 3hn3 n ASN 135 Ca -0.20 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3hn3 n ASN 135 Cb 0.48 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 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 -1.55 1.49 3.64 7.41 0.00 -1.25 -5.02 105.19 109.90 3hn3 n GLY 136 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.45 5.20 -0.15 1.61 1.01 -0.22 -4.73 120.40 119.67 3hn3 s VAL 137 Ca 0.00 0.62 -0.35 0.00 0.00 0.00 0.00 61.98 62.25 3hn3 s VAL 137 Cb 0.00 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3hn3 s VAL 137 CO 0.00 0.22 1.91 -0.67 0.00 0.00 0.00 175.10 176.56 3hn3 n ASP 138 N 4.82 3.17 0.00 3.32 -0.08 -1.26 -1.36 116.55 125.16 3hn3 n ASP 138 Ca -0.09 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 3hn3 n ASP 138 Cb 0.51 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.64 3hn3 n ASP 138 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3hn3 n THR 139 N 5.40 0.00 -3.63 5.18 -1.04 -0.46 -4.95 114.28 114.77 3hn3 n THR 139 Ca 0.25 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.15 3hn3 n THR 139 Cb 0.27 -0.24 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.97 -0.82 0.02 -4.42 2.96 -1.08 -4.92 118.68 108.45 3hn3 s LEU 140 Ca 0.00 1.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 3hn3 s LEU 140 Cb 0.00 2.42 -0.02 0.00 0.50 0.00 0.00 46.19 49.09 3hn3 s LEU 140 CO 0.00 -0.24 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.14 3hn3 s GLU 141 N 0.91 0.35 -0.12 1.98 2.02 -1.26 0.01 118.70 122.58 3hn3 s GLU 141 Ca -0.04 -0.57 -0.14 0.00 0.02 0.00 0.00 54.97 54.24 3hn3 s GLU 141 Cb -0.05 -0.04 0.04 0.00 0.10 0.00 0.00 34.13 34.18 3hn3 s GLU 141 CO -0.08 -0.01 0.38 -1.58 0.02 0.00 0.00 175.26 173.99 3hn3 s HIS 142 N -1.23 -0.39 -0.14 1.61 2.46 -0.63 -5.01 115.29 111.96 3hn3 s HIS 142 Ca -0.12 0.93 -0.01 0.00 0.47 0.00 0.00 55.06 56.33 3hn3 s HIS 142 Cb -0.09 0.14 -0.02 0.00 -0.13 0.00 0.00 32.58 32.49 3hn3 s HIS 142 CO -0.00 -0.24 -0.09 -2.00 -2.47 0.00 0.00 174.74 169.94 3hn3 s GLU 143 N -0.03 3.46 0.00 2.88 -6.30 -1.26 -1.57 118.70 115.87 3hn3 s GLU 143 Ca -0.02 -0.61 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 3hn3 s GLU 143 Cb -0.03 -2.74 0.00 0.00 0.00 0.00 0.00 34.13 31.37 3hn3 s GLU 143 CO 0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3hn3 n GLY 144 N 3.44 2.14 3.98 -1.50 0.00 -0.33 -4.99 105.19 107.93 3hn3 n GLY 144 Ca -0.18 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.01 1.79 -0.22 -0.02 0.00 -1.16 -4.25 107.32 103.44 3hn3 s GLY 145 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 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 -2.57 0.00 -3.85 1.90 4.01 -1.26 -4.93 117.16 110.45 3hn3 n TYR 146 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 3hn3 n TYR 146 Cb 0.60 -1.05 -0.13 0.00 -0.31 0.00 0.00 39.34 38.45 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 -0.48 1.75 0.58 7.72 1.43 -1.26 -4.61 118.68 123.80 3hn3 s LEU 147 Ca 0.00 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3hn3 s LEU 147 Cb 0.00 0.25 -0.05 0.00 0.03 0.00 0.00 46.19 46.42 3hn3 s LEU 147 CO 0.00 -0.05 1.04 -2.16 0.23 0.00 0.00 176.35 175.41 3hn3 s PRO 148 N -0.08 3.48 0.06 1.29 0.04 -0.92 -4.25 135.00 134.63 3hn3 s PRO 148 Ca -0.01 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 3hn3 s PRO 148 Cb -0.01 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3hn3 s PRO 148 CO 0.00 -0.67 0.32 -0.59 0.04 0.00 0.00 177.00 176.11 3hn3 s PHE 149 N -2.57 -0.11 0.17 0.56 -0.71 -0.64 -5.00 117.98 109.68 3hn3 s PHE 149 Ca 0.62 -0.08 -0.15 0.00 -1.04 0.00 0.00 56.93 56.28 3hn3 s PHE 149 Cb -0.14 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 3hn3 s PHE 149 CO 0.37 -0.55 0.43 -1.83 -1.34 0.00 0.00 175.22 172.29 3hn3 s GLU 150 N -2.94 1.23 -0.05 1.99 -1.05 -1.26 -0.86 118.70 115.76 3hn3 s GLU 150 Ca -0.02 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 53.81 3hn3 s GLU 150 Cb 0.00 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 3hn3 s GLU 150 CO -0.06 -0.50 0.20 0.00 0.95 0.00 0.00 175.26 175.86 3hn3 s ALA 151 N -3.88 -0.50 -0.30 -0.84 0.00 -0.63 -4.99 121.76 110.61 3hn3 s ALA 151 Ca 0.09 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3hn3 s ALA 151 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3hn3 s ALA 151 CO -0.05 -0.15 1.34 0.34 0.00 0.00 0.00 175.76 177.24 3hn3 s ASP 152 N -0.42 6.63 -0.06 0.00 -1.08 -1.26 -1.36 116.67 119.12 3hn3 s ASP 152 Ca -0.05 1.23 0.14 0.00 -0.52 0.00 0.00 52.55 53.34 3hn3 s ASP 152 Cb -0.03 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 39.31 3hn3 s ASP 152 CO 0.01 -1.11 1.35 2.30 0.52 0.00 0.00 175.17 178.24 3hn3 n ILE 153 N 6.27 1.42 -0.19 4.11 -5.35 0.68 -4.76 119.36 121.54 3hn3 n ILE 153 Ca 0.15 -1.25 -0.02 0.00 -0.27 0.00 0.00 62.75 61.37 3hn3 n ILE 153 Cb 0.46 0.27 0.05 0.00 -1.74 0.00 0.00 39.64 38.68 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 2.29 -0.59 -0.85 7.28 0.02 -1.89 -0.15 113.55 119.66 3hn3 h SER 154 Ca 0.00 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3hn3 h SER 154 Cb 1.00 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 63.87 3hn3 h SER 154 CO 0.08 -0.21 0.55 -0.55 -1.14 0.00 0.00 176.83 175.57 3hn3 h ASN 155 N -0.02 0.83 0.99 3.07 -1.07 -1.91 0.18 115.58 117.65 3hn3 h ASN 155 Ca 0.28 0.01 -0.11 0.00 0.07 0.00 0.00 56.30 56.54 3hn3 h ASN 155 Cb 0.44 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.51 3hn3 h ASN 155 CO -0.61 0.53 -0.53 -0.07 0.07 0.00 0.00 177.43 176.82 3hn3 h LEU 156 N 0.94 0.00 0.00 6.14 3.38 -1.41 -3.22 115.31 121.13 3hn3 h LEU 156 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 3hn3 h LEU 156 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hn3 h LEU 156 CO -0.13 0.53 -1.32 1.33 0.09 0.00 0.00 178.44 178.93 3hn3 n VAL 157 N -3.47 0.93 -2.78 1.22 0.24 -0.72 -4.54 118.33 109.21 3hn3 n VAL 157 Ca 0.00 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 3hn3 n VAL 157 Cb 0.64 -0.55 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 3hn3 n VAL 157 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hn3 n GLN 158 N -2.78 4.83 -0.02 7.34 6.02 0.56 -4.64 117.38 128.68 3hn3 n GLN 158 Ca -0.07 -4.50 -0.18 0.00 -0.01 0.00 0.00 57.00 52.25 3hn3 n GLN 158 Cb 0.73 -2.52 -0.14 0.00 1.02 0.00 0.00 30.24 29.33 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 0.91 1.69 0.00 5.09 3.14 -1.26 -4.91 118.33 122.99 3hn3 n VAL 159 Ca 0.36 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 3hn3 n VAL 159 Cb 0.30 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 3hn3 n VAL 159 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hn3 n GLY 160 N 1.94 1.95 0.00 7.55 0.00 -1.26 -5.20 105.19 110.17 3hn3 n GLY 160 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hn3 n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hn3 n SER 164 N 0.00 0.00 -4.73 1.61 3.41 -1.26 -5.18 113.62 107.47 3hn3 n SER 164 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3hn3 n SER 164 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3hn3 n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hn3 s ARG 165 N -5.38 4.49 0.05 4.33 3.03 -1.26 -4.71 118.95 119.49 3hn3 s ARG 165 Ca 0.00 1.79 -0.30 0.00 2.03 0.00 0.00 55.73 59.24 3hn3 s ARG 165 Cb 0.00 -3.30 -0.08 0.00 -1.03 0.00 0.00 34.95 30.55 3hn3 s ARG 165 CO 0.00 -0.12 1.61 -1.17 -1.13 0.00 0.00 175.30 174.48 3hn3 s LEU 166 N 0.32 4.35 -0.28 -1.89 2.96 0.31 -4.72 118.68 119.74 3hn3 s LEU 166 Ca 0.55 2.39 -0.08 0.00 -0.22 0.00 0.00 54.13 56.77 3hn3 s LEU 166 Cb -0.30 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 3hn3 s LEU 166 CO 0.33 -0.86 0.11 -0.60 -1.32 0.00 0.00 176.35 174.01 3hn3 s ARG 167 N 2.72 3.52 -0.23 1.98 3.52 -1.26 0.96 118.95 130.17 3hn3 s ARG 167 Ca 0.72 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 55.69 3hn3 s ARG 167 Cb -0.38 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 3hn3 s ARG 167 CO 0.31 -0.29 0.01 0.42 -0.81 0.00 0.00 175.30 174.94 3hn3 s ILE 168 N 1.62 3.80 -0.10 4.11 1.01 0.03 -0.95 121.20 130.71 3hn3 s ILE 168 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3hn3 s ILE 168 Cb -0.16 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3hn3 s ILE 168 CO 0.05 0.39 -0.20 -0.89 0.00 0.00 0.00 174.94 174.29 3hn3 s THR 169 N 1.50 2.48 -0.08 2.92 2.01 -0.36 -1.68 115.64 122.44 3hn3 s THR 169 Ca 0.06 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 3hn3 s THR 169 Cb -0.15 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.41 3hn3 s THR 169 CO -0.00 0.55 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.81 3hn3 s ILE 170 N 0.21 0.65 -0.18 1.82 1.01 0.08 -0.25 121.20 124.55 3hn3 s ILE 170 Ca -0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3hn3 s ILE 170 Cb -0.16 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3hn3 s ILE 170 CO 0.07 0.29 0.03 0.00 0.00 0.00 0.00 174.94 175.32 3hn3 s ALA 171 N 1.61 3.24 -0.12 9.38 0.00 -0.30 -0.53 121.76 135.04 3hn3 s ALA 171 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3hn3 s ALA 171 Cb -0.13 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.21 3hn3 s ALA 171 CO -0.05 0.14 -0.15 0.42 0.00 0.00 0.00 175.76 176.12 3hn3 s ILE 172 N 0.46 1.55 -0.18 0.00 1.01 0.06 -1.10 121.20 123.01 3hn3 s ILE 172 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3hn3 s ILE 172 Cb -0.13 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3hn3 s ILE 172 CO 0.01 0.45 0.07 0.21 0.00 0.00 0.00 174.94 175.69 3hn3 s ASN 173 N 1.08 5.72 -0.07 3.58 3.84 0.10 -1.12 114.94 128.08 3hn3 s ASN 173 Ca -0.04 0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.28 3hn3 s ASN 173 Cb -0.14 -1.96 0.41 0.00 -0.55 0.00 0.00 41.25 39.01 3hn3 s ASN 173 CO -0.04 0.20 1.34 -0.46 -2.79 0.00 0.00 177.10 175.35 3hn3 n ASN 174 N 3.37 3.39 -4.69 -4.21 6.94 -0.97 -1.99 115.26 117.09 3hn3 n ASN 174 Ca -0.17 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 51.60 3hn3 n ASN 174 Cb 0.52 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.66 4.26 -0.04 5.53 2.01 -1.26 -4.86 115.64 119.62 3hn3 s THR 175 Ca 0.32 1.59 -0.12 0.00 0.31 0.00 0.00 61.69 63.78 3hn3 s THR 175 Cb 0.21 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 3hn3 s THR 175 CO 0.14 0.01 0.33 -0.76 -0.69 0.00 0.00 174.62 173.64 3hn3 s LEU 176 N 2.14 4.45 0.25 4.42 1.43 -1.26 -4.77 118.68 125.34 3hn3 s LEU 176 Ca 0.56 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 3hn3 s LEU 176 Cb -0.25 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3hn3 s LEU 176 CO 0.22 0.35 0.10 0.42 0.23 0.00 0.00 176.35 177.67 3hn3 s THR 177 N -1.07 0.49 0.03 5.49 -4.23 -1.22 -3.90 115.64 111.23 3hn3 s THR 177 Ca 0.21 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.95 3hn3 s THR 177 Cb -0.15 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.31 3hn3 s THR 177 CO 0.11 -0.02 1.65 -0.65 -0.54 0.00 0.00 174.62 175.17 3hn3 h PRO 178 N 2.43 0.00 -0.12 3.99 0.11 -1.78 -1.79 132.00 134.84 3hn3 h PRO 178 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hn3 h PRO 178 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hn3 h PRO 178 CO 0.60 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 3hn3 n THR 179 N -2.34 0.60 -2.80 -1.15 -2.24 -1.26 -4.61 114.28 100.48 3hn3 n THR 179 Ca -0.01 -0.80 -0.26 0.00 -2.27 0.00 0.00 64.05 60.70 3hn3 n THR 179 Cb 0.15 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.80 4.89 -0.23 4.28 -4.23 -0.86 -4.84 115.64 113.84 3hn3 s THR 180 Ca 0.11 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3hn3 s THR 180 Cb 0.06 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.11 3hn3 s THR 180 CO 0.08 -0.76 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.57 3hn3 s LEU 181 N -4.65 2.60 0.53 4.79 1.43 -1.26 -1.43 118.68 120.69 3hn3 s LEU 181 Ca 0.46 -1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 3hn3 s LEU 181 Cb -0.10 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 3hn3 s LEU 181 CO 0.43 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 3hn3 s PRO 182 N 1.37 3.48 0.84 1.29 0.04 -1.10 -4.61 135.00 136.31 3hn3 s PRO 182 Ca -0.05 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 3hn3 s PRO 182 Cb -0.18 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.42 3hn3 s PRO 182 CO -0.06 -0.73 1.12 -1.25 0.04 0.00 0.00 177.00 176.12 3hn3 s PRO 183 N -3.28 1.70 0.21 0.56 0.04 -0.51 -4.61 135.00 129.10 3hn3 s PRO 183 Ca 0.71 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 3hn3 s PRO 183 Cb -0.22 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.51 3hn3 s PRO 183 CO 0.25 -1.84 1.02 0.20 0.04 0.00 0.00 177.00 176.67 3hn3 s GLY 184 N -4.07 0.17 0.07 0.56 0.00 -0.73 -4.61 107.32 98.71 3hn3 s GLY 184 Ca 0.62 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3hn3 s GLY 184 CO 0.53 2.45 -0.06 -0.51 0.00 0.00 0.00 173.10 175.51 3hn3 s THR 185 N -2.09 0.53 -0.13 0.90 -4.23 -0.28 -2.01 115.64 108.32 3hn3 s THR 185 Ca 0.22 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3hn3 s THR 185 Cb -0.03 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3hn3 s THR 185 CO 0.06 -0.68 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.79 3hn3 s ILE 186 N -2.68 3.88 -0.16 2.99 -1.09 -1.26 0.37 121.20 123.25 3hn3 s ILE 186 Ca 0.01 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3hn3 s ILE 186 Cb -0.01 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3hn3 s ILE 186 CO -0.03 0.52 -0.16 -1.10 -1.23 0.00 0.00 174.94 172.94 3hn3 s GLN 187 N 0.05 2.51 -0.16 2.79 -1.52 -0.21 -4.98 119.66 118.15 3hn3 s GLN 187 Ca -0.00 -0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 52.56 3hn3 s GLN 187 Cb -0.13 -2.26 -0.03 0.00 -0.22 0.00 0.00 33.01 30.36 3hn3 s GLN 187 CO 0.03 -0.23 0.55 0.71 -0.25 0.00 0.00 175.29 176.09 3hn3 s TYR 188 N 1.42 3.44 -0.31 0.91 1.51 -1.26 -1.42 117.35 121.64 3hn3 s TYR 188 Ca 0.05 0.89 -0.05 0.00 -1.01 0.00 0.00 57.07 56.94 3hn3 s TYR 188 Cb -0.13 -2.67 0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3hn3 s TYR 188 CO -0.11 -0.01 0.06 -0.51 -1.11 0.00 0.00 175.55 173.86 3hn3 s LEU 189 N 1.30 3.94 0.00 -1.29 1.43 -0.84 -4.97 118.68 118.25 3hn3 s LEU 189 Ca 0.27 -0.95 0.23 0.00 -1.03 0.00 0.00 54.13 52.65 3hn3 s LEU 189 Cb -0.16 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3hn3 s LEU 189 CO 0.11 -0.24 1.09 0.35 0.23 0.00 0.00 176.35 177.89 3hn3 n THR 190 N 4.80 0.00 -2.05 5.49 -2.24 -1.26 -4.47 114.28 114.54 3hn3 n THR 190 Ca -0.14 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 3hn3 n THR 190 Cb 0.46 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 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 -2.49 5.20 0.00 3.42 -1.08 -1.26 -4.84 116.67 115.62 3hn3 s ASP 191 Ca 0.18 -0.34 0.19 0.00 -0.52 0.00 0.00 52.55 52.07 3hn3 s ASP 191 Cb 0.18 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 40.10 3hn3 s ASP 191 CO 0.58 -2.61 1.58 0.35 0.52 0.00 0.00 175.17 175.59 3hn3 n THR 192 N 7.64 0.33 0.67 1.71 -2.24 -1.26 -1.15 114.28 119.99 3hn3 n THR 192 Ca 0.33 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 3hn3 n THR 192 Cb 0.49 -0.77 0.41 0.00 -2.10 0.00 0.00 70.33 68.36 3hn3 n THR 192 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hn3 n SER 193 N -1.22 0.72 0.00 3.42 3.41 -1.26 -4.22 113.62 114.46 3hn3 n SER 193 Ca 0.10 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3hn3 n SER 193 Cb 0.13 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3hn3 n SER 193 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hn3 n LYS 194 N -2.16 1.25 -3.88 4.33 5.02 -0.30 -5.09 118.16 117.34 3hn3 n LYS 194 Ca 0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3hn3 n LYS 194 Cb 0.42 -0.96 -0.14 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.87 0.03 0.73 2.13 1.51 -0.34 -5.10 117.35 114.43 3hn3 s TYR 195 Ca 0.00 -0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 55.87 3hn3 s TYR 195 Cb 0.00 -0.02 0.04 0.00 -0.11 0.00 0.00 41.96 41.87 3hn3 s TYR 195 CO 0.00 -0.03 1.14 -1.25 -1.11 0.00 0.00 175.55 174.30 3hn3 s PRO 196 N -0.17 2.32 0.22 -1.71 0.04 -1.26 -4.00 135.00 130.44 3hn3 s PRO 196 Ca -0.02 1.47 -0.32 0.00 0.04 0.00 0.00 61.00 62.17 3hn3 s PRO 196 Cb -0.01 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 3hn3 s PRO 196 CO -0.00 -1.64 1.70 1.17 0.04 0.00 0.00 177.00 178.27 3hn3 n LYS 197 N -2.90 2.72 -0.12 4.56 4.81 -1.26 -1.76 118.16 124.21 3hn3 n LYS 197 Ca 0.11 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 3hn3 n LYS 197 Cb 0.52 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.75 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 3.71 0.66 3.70 3.14 0.00 -1.26 -5.04 105.19 110.11 3hn3 n GLY 198 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3hn3 n GLY 198 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hn3 n TYR 199 N -2.00 2.59 -3.97 1.61 4.19 -0.72 -4.96 117.16 113.91 3hn3 n TYR 199 Ca 0.00 0.10 -0.08 0.00 3.31 0.00 0.00 57.90 61.22 3hn3 n TYR 199 Cb 0.00 -2.64 -0.09 0.00 0.49 0.00 0.00 39.34 37.10 3hn3 n TYR 199 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 3hn3 s PHE 200 N 1.24 0.30 0.07 2.98 -0.71 -1.26 -1.98 117.98 118.62 3hn3 s PHE 200 Ca 0.77 -0.72 0.05 0.00 -1.04 0.00 0.00 56.93 55.98 3hn3 s PHE 200 Cb -0.56 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.01 3hn3 s PHE 200 CO 0.35 -0.41 -0.13 0.14 -1.34 0.00 0.00 175.22 173.83 3hn3 s VAL 201 N -3.36 1.01 -0.26 -2.49 -7.23 -0.51 -4.97 120.40 102.58 3hn3 s VAL 201 Ca 0.01 -1.33 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 3hn3 s VAL 201 Cb 0.03 -1.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 3hn3 s VAL 201 CO -0.08 -0.30 0.56 -1.58 -0.31 0.00 0.00 175.10 173.39 3hn3 s GLN 202 N -1.88 4.06 -0.06 4.82 2.00 -1.26 -1.04 119.66 126.30 3hn3 s GLN 202 Ca -0.02 0.37 -0.18 0.00 -2.00 0.00 0.00 55.36 53.54 3hn3 s GLN 202 Cb -0.09 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 30.01 3hn3 s GLN 202 CO 0.02 -0.39 0.49 -0.80 -0.50 0.00 0.00 175.29 174.10 3hn3 s ASN 203 N 1.54 6.79 0.14 6.67 0.01 0.16 -4.96 114.94 125.28 3hn3 s ASN 203 Ca 0.23 0.94 0.03 0.00 -0.71 0.00 0.00 52.86 53.34 3hn3 s ASN 203 Cb -0.16 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3hn3 s ASN 203 CO 0.09 0.11 -0.05 0.42 -1.51 0.00 0.00 177.10 176.16 3hn3 s THR 204 N -0.03 0.84 -0.13 1.60 -4.23 -1.26 -1.13 115.64 111.30 3hn3 s THR 204 Ca 0.27 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.93 3hn3 s THR 204 Cb -0.16 -1.89 0.36 0.00 1.34 0.00 0.00 72.50 72.14 3hn3 s THR 204 CO 0.13 -0.69 1.18 -1.22 -0.54 0.00 0.00 174.62 173.47 3hn3 n TYR 205 N -0.17 0.00 -4.32 3.99 4.01 -1.26 -5.04 117.16 114.38 3hn3 n TYR 205 Ca -0.10 -1.06 -0.23 0.00 -0.16 0.00 0.00 57.90 56.36 3hn3 n TYR 205 Cb 0.62 -0.19 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 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 -2.19 1.83 -0.95 -0.72 -0.12 -1.26 -4.25 117.98 110.32 3hn3 s PHE 206 Ca 0.33 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.75 3hn3 s PHE 206 Cb 0.32 -0.94 0.33 0.00 -0.63 0.00 0.00 43.02 42.10 3hn3 s PHE 206 CO -0.07 0.29 1.91 -3.47 -0.05 0.00 0.00 175.22 173.83 3hn3 n ASP 207 N 0.57 7.41 -3.58 1.98 2.03 -1.26 -4.89 116.55 118.81 3hn3 n ASP 207 Ca -0.15 -3.75 -0.16 0.00 0.52 0.00 0.00 54.79 51.24 3hn3 n ASP 207 Cb 0.56 -1.12 -0.06 0.00 -0.72 0.00 0.00 41.12 39.77 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 -4.22 -0.52 0.18 -0.67 -0.12 -1.26 -4.86 117.98 106.50 3hn3 s PHE 208 Ca 0.44 0.85 -0.30 0.00 -0.05 0.00 0.00 56.93 57.87 3hn3 s PHE 208 Cb 0.30 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.93 3hn3 s PHE 208 CO -0.25 -0.57 1.37 0.12 -0.05 0.00 0.00 175.22 175.84 3hn3 s PHE 209 N -1.38 3.20 -1.09 3.49 5.36 -0.48 -4.64 117.98 122.44 3hn3 s PHE 209 Ca -0.11 1.08 -0.08 0.00 -0.96 0.00 0.00 56.93 56.87 3hn3 s PHE 209 Cb -0.01 -3.68 -0.11 0.00 -0.34 0.00 0.00 43.02 38.88 3hn3 s PHE 209 CO 0.07 -2.22 2.77 -1.71 -1.46 0.00 0.00 175.22 172.67 3hn3 n ASN 210 N 3.01 6.83 -4.50 6.13 5.15 -1.26 -4.94 115.26 125.69 3hn3 n ASN 210 Ca 0.08 -2.45 -0.37 0.00 -0.60 0.00 0.00 54.58 51.24 3hn3 n ASN 210 Cb 0.42 -1.36 0.06 0.00 -0.53 0.00 0.00 39.78 38.37 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 3.54 -0.42 -4.13 1.20 4.01 -1.26 -5.04 117.16 115.06 3hn3 n TYR 211 Ca 0.61 0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 58.63 3hn3 n TYR 211 Cb 0.32 -1.97 -0.08 0.00 -0.31 0.00 0.00 39.34 37.29 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 -1.78 0.69 0.00 -0.72 0.00 -1.26 -5.04 121.76 113.64 3hn3 s ALA 212 Ca 0.69 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3hn3 s ALA 212 Cb -0.39 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.01 3hn3 s ALA 212 CO 0.54 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3hn3 n GLY 213 N -0.32 0.78 3.46 0.00 0.00 -1.26 -0.82 105.19 107.02 3hn3 n GLY 213 Ca 0.01 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 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 5.08 0.02 0.99 1.43 -1.23 -4.64 118.68 120.32 3hn3 s LEU 214 Ca 0.00 -2.62 0.27 0.00 -1.03 0.00 0.00 54.13 50.74 3hn3 s LEU 214 Cb 0.00 -2.40 0.79 0.00 0.03 0.00 0.00 46.19 44.61 3hn3 s LEU 214 CO 0.00 -0.87 1.62 0.00 0.23 0.00 0.00 176.35 177.34 3hn3 n GLN 215 N 5.96 0.03 -4.38 1.70 6.02 -1.24 -1.22 117.38 124.26 3hn3 n GLN 215 Ca 0.31 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 57.13 3hn3 n GLN 215 Cb 0.45 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 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 -3.02 1.43 0.39 -1.09 0.52 -1.26 -1.11 118.95 114.82 3hn3 s ARG 216 Ca 0.12 -1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 53.35 3hn3 s ARG 216 Cb 0.18 -0.95 -0.09 0.00 0.52 0.00 0.00 34.95 34.60 3hn3 s ARG 216 CO 0.63 0.02 1.31 -1.12 0.02 0.00 0.00 175.30 176.16 3hn3 s SER 217 N -3.37 6.40 -0.15 0.23 0.01 -1.26 -4.48 113.70 111.07 3hn3 s SER 217 Ca 0.28 2.67 -0.03 0.00 1.31 0.00 0.00 55.95 60.18 3hn3 s SER 217 Cb 0.04 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 3hn3 s SER 217 CO 0.10 -0.79 -0.06 -0.69 0.41 0.00 0.00 173.24 172.20 3hn3 s VAL 218 N -1.24 3.65 0.12 3.43 1.01 -1.26 -1.58 120.40 124.53 3hn3 s VAL 218 Ca 0.55 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3hn3 s VAL 218 Cb -0.39 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3hn3 s VAL 218 CO 0.50 0.50 0.15 -1.48 0.00 0.00 0.00 175.10 174.77 3hn3 s LEU 219 N 0.38 1.52 -0.04 3.92 2.34 -0.41 -0.69 118.68 125.69 3hn3 s LEU 219 Ca -0.06 -0.95 0.00 0.00 0.06 0.00 0.00 54.13 53.18 3hn3 s LEU 219 Cb -0.15 0.74 -0.03 0.00 -0.56 0.00 0.00 46.19 46.19 3hn3 s LEU 219 CO 0.04 -0.77 -0.01 -0.76 -1.06 0.00 0.00 176.35 173.78 3hn3 s LEU 220 N -2.97 3.47 0.10 1.48 1.43 -0.42 -0.73 118.68 121.04 3hn3 s LEU 220 Ca 0.16 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3hn3 s LEU 220 Cb 0.06 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3hn3 s LEU 220 CO -0.03 0.33 0.12 -0.72 0.23 0.00 0.00 176.35 176.28 3hn3 s TYR 221 N -0.96 0.44 0.21 0.29 -0.85 -0.33 -0.33 117.35 115.83 3hn3 s TYR 221 Ca 0.16 -0.88 0.10 0.00 -0.52 0.00 0.00 57.07 55.93 3hn3 s TYR 221 Cb -0.11 -0.23 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3hn3 s TYR 221 CO 0.06 -0.53 -0.19 0.95 -1.52 0.00 0.00 175.55 174.32 3hn3 s THR 222 N -3.93 2.10 0.26 -3.49 -4.23 -0.62 -0.43 115.64 105.30 3hn3 s THR 222 Ca 0.12 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 3hn3 s THR 222 Cb 0.06 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 3hn3 s THR 222 CO -0.06 -0.36 0.37 0.42 -0.54 0.00 0.00 174.62 174.45 3hn3 s THR 223 N -2.30 0.00 1.01 3.99 -4.23 -0.79 -3.58 115.64 109.74 3hn3 s THR 223 Ca 0.22 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3hn3 s THR 223 Cb -0.05 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.58 3hn3 s THR 223 CO 0.10 0.00 1.10 -2.84 -0.54 0.00 0.00 174.62 172.43 3hn3 s PRO 224 N -3.82 0.35 0.38 3.99 0.02 -1.26 -0.71 135.00 133.96 3hn3 s PRO 224 Ca 0.30 0.46 0.20 0.00 0.02 0.00 0.00 61.00 61.98 3hn3 s PRO 224 Cb 0.02 -1.73 0.66 0.00 0.02 0.00 0.00 34.50 33.46 3hn3 s PRO 224 CO 0.13 -2.77 1.72 1.79 -0.33 0.00 0.00 177.00 177.54 3hn3 h THR 225 N -1.92 0.74 -3.47 0.99 1.35 -1.89 -3.38 112.91 105.34 3hn3 h THR 225 Ca -0.55 -1.48 -0.65 0.00 -0.55 0.00 0.00 66.41 63.18 3hn3 h THR 225 Cb 1.33 1.95 -0.23 0.00 -1.73 0.00 0.00 68.15 69.48 3hn3 h THR 225 CO 0.58 0.33 -0.65 -0.89 -0.25 0.00 0.00 175.52 174.63 3hn3 s THR 226 N -3.51 4.02 0.10 6.82 2.01 -1.26 -4.37 115.64 119.44 3hn3 s THR 226 Ca 0.01 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 3hn3 s THR 226 Cb 0.10 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.80 3hn3 s THR 226 CO 0.68 0.41 0.31 -0.72 -0.69 0.00 0.00 174.62 174.60 3hn3 s TYR 227 N 1.13 -0.06 -0.25 4.92 1.13 -0.57 -4.79 117.35 118.86 3hn3 s TYR 227 Ca 0.03 -0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.13 3hn3 s TYR 227 Cb -0.14 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 3hn3 s TYR 227 CO 0.02 -0.61 1.55 0.42 -2.51 0.00 0.00 175.55 174.42 3hn3 s ILE 228 N -3.60 3.78 -0.20 -3.49 1.01 -1.26 -1.62 121.20 115.82 3hn3 s ILE 228 Ca 0.02 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.57 3hn3 s ILE 228 Cb 0.03 -3.82 -0.21 0.00 0.01 0.00 0.00 42.46 38.47 3hn3 s ILE 228 CO -0.10 -0.36 0.03 -0.67 0.00 0.00 0.00 174.94 173.84 3hn3 n ASP 229 N 8.40 1.68 -3.91 3.58 2.03 0.14 -4.95 116.55 123.53 3hn3 n ASP 229 Ca 0.18 0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.40 3hn3 n ASP 229 Cb 0.46 -0.32 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 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 -6.50 0.13 -0.02 1.67 -1.08 -1.03 -3.83 116.67 106.01 3hn3 s ASP 230 Ca -0.26 -0.42 -0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3hn3 s ASP 230 Cb 0.08 0.22 0.01 0.00 -1.46 0.00 0.00 42.92 41.77 3hn3 s ASP 230 CO 0.69 -0.46 0.04 -0.63 0.52 0.00 0.00 175.17 175.33 3hn3 s ILE 231 N -2.17 -0.02 -0.09 4.11 1.01 -1.26 -1.15 121.20 121.62 3hn3 s ILE 231 Ca -0.09 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3hn3 s ILE 231 Cb -0.04 -0.07 0.02 0.00 0.01 0.00 0.00 42.46 42.38 3hn3 s ILE 231 CO -0.02 0.03 -0.12 -0.89 0.00 0.00 0.00 174.94 173.93 3hn3 s THR 232 N 0.40 1.25 -0.06 2.92 2.01 0.07 -4.95 115.64 117.28 3hn3 s THR 232 Ca -0.03 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3hn3 s THR 232 Cb -0.05 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3hn3 s THR 232 CO -0.01 0.39 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.37 3hn3 s VAL 233 N 1.02 2.04 0.12 3.82 1.01 -1.26 -1.39 120.40 125.77 3hn3 s VAL 233 Ca -0.07 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.92 3hn3 s VAL 233 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3hn3 s VAL 233 CO -0.01 0.57 -0.15 0.42 0.00 0.00 0.00 175.10 175.92 3hn3 s THR 234 N -0.12 1.43 0.01 3.92 -4.23 -0.72 -4.79 115.64 111.14 3hn3 s THR 234 Ca -0.05 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3hn3 s THR 234 Cb -0.14 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 3hn3 s THR 234 CO 0.04 -0.35 -0.09 0.42 -0.54 0.00 0.00 174.62 174.10 3hn3 s THR 235 N -1.97 0.65 0.29 3.99 -4.23 -1.26 -1.05 115.64 112.07 3hn3 s THR 235 Ca 0.09 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.94 3hn3 s THR 235 Cb -0.06 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 3hn3 s THR 235 CO 0.04 0.00 0.43 -0.94 -0.54 0.00 0.00 174.62 173.61 3hn3 s SER 236 N -0.67 0.52 -0.02 3.99 1.04 -0.78 -4.58 113.70 113.20 3hn3 s SER 236 Ca -0.00 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.17 3hn3 s SER 236 Cb -0.05 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hn3 s SER 236 CO 0.00 -1.19 -0.19 -0.69 0.98 0.00 0.00 173.24 172.16 3hn3 s VAL 237 N -3.50 1.48 -0.20 5.02 1.01 -1.26 -0.20 120.40 122.75 3hn3 s VAL 237 Ca 0.29 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3hn3 s VAL 237 Cb 0.01 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.21 3hn3 s VAL 237 CO 0.16 0.42 -0.01 -1.61 0.00 0.00 0.00 175.10 174.05 3hn3 s GLU 238 N -0.42 1.13 1.80 2.72 2.02 0.03 -4.95 118.70 121.04 3hn3 s GLU 238 Ca 0.07 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.46 3hn3 s GLU 238 Cb -0.07 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3hn3 s GLU 238 CO -0.01 -0.57 0.00 1.04 0.02 0.00 0.00 175.26 175.75 3hn3 n GLN 239 N 4.90 0.00 -0.04 1.61 3.00 -1.26 -0.18 117.38 125.41 3hn3 n GLN 239 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.93 3hn3 n GLN 239 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.76 3hn3 n GLN 239 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hn3 n ASP 240 N 5.00 1.99 -4.61 1.08 2.03 -1.26 -5.00 116.55 115.78 3hn3 n ASP 240 Ca 0.00 -1.54 -0.31 0.00 0.52 0.00 0.00 54.79 53.46 3hn3 n ASP 240 Cb 0.00 -0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 3hn3 n ASP 240 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hn3 s SER 241 N -0.79 4.65 0.03 1.67 0.01 0.74 -2.16 113.70 117.86 3hn3 s SER 241 Ca 0.12 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 3hn3 s SER 241 Cb 0.08 -1.06 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 3hn3 s SER 241 CO 0.11 0.25 0.37 -0.83 0.41 0.00 0.00 173.24 173.55 3hn3 s GLY 242 N -1.70 2.37 -0.12 3.44 0.00 0.26 -0.79 107.32 110.78 3hn3 s GLY 242 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.56 3hn3 s GLY 242 CO 0.10 -0.09 -0.17 1.08 0.00 0.00 0.00 173.10 174.02 3hn3 s LEU 243 N -1.54 2.46 -0.26 0.66 1.43 0.72 0.25 118.68 122.39 3hn3 s LEU 243 Ca 0.28 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3hn3 s LEU 243 Cb -0.15 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.60 3hn3 s LEU 243 CO 0.15 0.16 -0.10 -0.69 0.23 0.00 0.00 176.35 176.10 3hn3 s VAL 244 N 0.38 2.17 -0.38 -1.59 1.01 0.19 -1.87 120.40 120.31 3hn3 s VAL 244 Ca -0.14 -1.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 3hn3 s VAL 244 Cb -0.17 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3hn3 s VAL 244 CO 0.07 -0.06 0.36 0.20 0.00 0.00 0.00 175.10 175.67 3hn3 s ASN 245 N 1.09 6.16 0.11 3.32 0.01 -0.21 -0.26 114.94 125.15 3hn3 s ASN 245 Ca -0.08 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 3hn3 s ASN 245 Cb -0.20 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3hn3 s ASN 245 CO -0.05 -0.42 -0.04 -0.72 -1.51 0.00 0.00 177.10 174.35 3hn3 s TYR 246 N 1.97 2.86 -0.04 2.20 -0.85 -0.08 -1.76 117.35 121.65 3hn3 s TYR 246 Ca 0.10 -0.10 -0.01 0.00 -0.52 0.00 0.00 57.07 56.54 3hn3 s TYR 246 Cb -0.17 -1.47 0.03 0.00 0.38 0.00 0.00 41.96 40.73 3hn3 s TYR 246 CO 0.12 0.46 0.07 -0.65 -1.52 0.00 0.00 175.55 174.04 3hn3 s GLN 247 N -2.35 -0.01 -0.03 -3.49 -0.21 -0.49 -2.07 119.66 111.01 3hn3 s GLN 247 Ca 0.24 0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.98 3hn3 s GLN 247 Cb -0.11 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.61 3hn3 s GLN 247 CO 0.16 -0.21 -0.20 0.42 -2.12 0.00 0.00 175.29 173.35 3hn3 s ILE 248 N 1.40 1.60 -0.12 1.08 1.01 0.15 -0.75 121.20 125.57 3hn3 s ILE 248 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hn3 s ILE 248 Cb -0.12 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3hn3 s ILE 248 CO -0.04 0.45 -0.15 -0.94 0.00 0.00 0.00 174.94 174.26 3hn3 s SER 249 N -0.29 3.82 -0.08 3.58 1.04 -0.30 -4.77 113.70 116.70 3hn3 s SER 249 Ca 0.03 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.12 3hn3 s SER 249 Cb -0.10 -1.53 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 3hn3 s SER 249 CO 0.01 0.17 -0.15 -0.69 0.98 0.00 0.00 173.24 173.56 3hn3 s VAL 250 N 0.29 2.91 0.18 5.02 1.01 -1.26 0.26 120.40 128.82 3hn3 s VAL 250 Ca -0.11 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.21 3hn3 s VAL 250 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3hn3 s VAL 250 CO 0.06 0.56 -0.14 -0.54 0.00 0.00 0.00 175.10 175.05 3hn3 s LYS 251 N -0.26 1.91 0.00 2.72 1.02 -0.64 -4.89 119.74 119.60 3hn3 s LYS 251 Ca 0.01 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.66 3hn3 s LYS 251 Cb -0.13 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 3hn3 s LYS 251 CO 0.03 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 3hn3 n GLY 252 N 0.09 0.59 3.68 -3.33 0.00 -1.26 -1.51 105.19 103.45 3hn3 n GLY 252 Ca -0.11 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 3.18 -0.01 1.61 0.15 -1.26 -4.96 113.70 108.40 3hn3 s SER 253 Ca 0.00 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.09 3hn3 s SER 253 Cb 0.00 -2.57 -0.21 0.00 -1.71 0.00 0.00 66.02 61.53 3hn3 s SER 253 CO 0.00 -2.94 0.57 -3.20 1.20 0.00 0.00 173.24 168.88 3hn3 n ASN 254 N -3.91 0.38 -4.53 5.45 5.15 -1.26 -4.83 115.26 111.71 3hn3 n ASN 254 Ca 0.12 0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.85 3hn3 n ASN 254 Cb 0.52 1.01 -0.09 0.00 -0.53 0.00 0.00 39.78 40.69 3hn3 n ASN 254 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hn3 s LEU 255 N -5.23 4.56 0.20 1.20 2.01 -1.26 -5.03 118.68 115.12 3hn3 s LEU 255 Ca -0.06 -0.34 -0.23 0.00 0.01 0.00 0.00 54.13 53.51 3hn3 s LEU 255 Cb 0.10 -2.41 0.05 0.00 0.01 0.00 0.00 46.19 43.94 3hn3 s LEU 255 CO 0.85 -0.45 0.83 0.72 1.01 0.00 0.00 176.35 179.30 3hn3 s PHE 256 N 2.14 -0.20 0.06 0.29 -0.71 -1.26 -2.50 117.98 115.80 3hn3 s PHE 256 Ca 0.13 -0.15 0.03 0.00 -1.04 0.00 0.00 56.93 55.90 3hn3 s PHE 256 Cb -0.16 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 3hn3 s PHE 256 CO 0.13 -0.99 -0.09 -1.59 -1.34 0.00 0.00 175.22 171.34 3hn3 s LYS 257 N -3.58 0.65 0.01 1.99 -2.85 -0.32 -5.01 119.74 110.63 3hn3 s LYS 257 Ca 0.10 -0.88 0.07 0.00 -1.00 0.00 0.00 55.97 54.26 3hn3 s LYS 257 Cb -0.03 -0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 35.27 3hn3 s LYS 257 CO 0.02 0.08 -0.21 -0.51 0.10 0.00 0.00 175.35 174.83 3hn3 s LEU 258 N -1.81 2.37 -0.02 2.77 1.43 -1.26 -1.77 118.68 120.40 3hn3 s LEU 258 Ca -0.05 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3hn3 s LEU 258 Cb -0.08 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3hn3 s LEU 258 CO 0.00 0.29 -0.26 -1.61 0.23 0.00 0.00 176.35 175.01 3hn3 s GLU 259 N -1.01 2.09 -0.04 1.70 2.02 -0.42 -2.71 118.70 120.32 3hn3 s GLU 259 Ca 0.12 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.21 3hn3 s GLU 259 Cb -0.10 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.12 3hn3 s GLU 259 CO 0.02 0.55 -0.09 0.08 0.02 0.00 0.00 175.26 175.84 3hn3 s VAL 260 N -0.60 0.85 -0.02 2.63 1.01 -0.12 -1.05 120.40 123.09 3hn3 s VAL 260 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3hn3 s VAL 260 Cb -0.10 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3hn3 s VAL 260 CO -0.01 0.28 -0.11 -0.13 0.00 0.00 0.00 175.10 175.13 3hn3 s ARG 261 N 0.51 1.07 -0.23 2.72 0.52 -0.72 -0.28 118.95 122.54 3hn3 s ARG 261 Ca -0.09 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 3hn3 s ARG 261 Cb -0.12 -1.00 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 3hn3 s ARG 261 CO 0.01 0.17 0.13 -1.17 0.02 0.00 0.00 175.30 174.47 3hn3 s LEU 262 N 0.04 3.99 -0.06 2.53 2.96 0.00 -0.37 118.68 127.76 3hn3 s LEU 262 Ca -0.01 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3hn3 s LEU 262 Cb -0.08 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3hn3 s LEU 262 CO 0.00 0.07 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.26 3hn3 s LEU 263 N 1.02 3.09 0.00 -0.68 1.02 0.93 -0.50 118.68 123.56 3hn3 s LEU 263 Ca 0.07 -0.05 -0.12 0.00 0.02 0.00 0.00 54.13 54.04 3hn3 s LEU 263 Cb -0.14 -1.66 0.17 0.00 0.02 0.00 0.00 46.19 44.58 3hn3 s LEU 263 CO 0.04 0.36 0.92 -0.90 0.02 0.00 0.00 176.35 176.79 3hn3 n ASP 264 N 2.24 -0.20 0.28 2.29 5.75 -0.43 -0.46 116.55 126.02 3hn3 n ASP 264 Ca -0.18 -1.29 0.19 0.00 -0.01 0.00 0.00 54.79 53.50 3hn3 n ASP 264 Cb 0.53 -0.72 0.86 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.95 1.00 -0.67 2.12 0.00 -1.90 -0.31 119.26 117.55 3hn3 h ALA 265 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hn3 h ALA 265 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hn3 h ALA 265 CO 0.21 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.85 3hn3 n GLU 266 N -2.95 2.95 -1.29 0.00 4.71 -1.26 -4.96 120.64 117.83 3hn3 n GLU 266 Ca -0.01 -2.57 -0.10 0.00 -0.01 0.00 0.00 57.16 54.47 3hn3 n GLU 266 Cb 0.19 -1.65 -0.04 0.00 -1.01 0.00 0.00 31.44 28.93 3hn3 n GLU 266 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hn3 n ASN 267 N 1.38 -4.21 -4.85 1.62 3.02 -0.13 -5.03 115.26 107.06 3hn3 n ASN 267 Ca 0.24 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.66 3hn3 n ASN 267 Cb 0.68 -2.59 -0.06 0.00 -0.61 0.00 0.00 39.78 37.20 3hn3 n ASN 267 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3hn3 s LYS 268 N -2.83 3.79 0.03 3.52 -2.85 -1.26 -4.79 119.74 115.35 3hn3 s LYS 268 Ca 0.00 0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.92 3hn3 s LYS 268 Cb 0.00 -3.18 -0.06 0.00 -2.06 0.00 0.00 37.83 32.53 3hn3 s LYS 268 CO 0.00 0.69 1.40 0.54 0.10 0.00 0.00 175.35 178.08 3hn3 s VAL 269 N -1.12 3.61 -0.04 1.79 0.11 -1.26 -1.31 120.40 122.18 3hn3 s VAL 269 Ca 0.23 1.05 0.12 0.00 -2.93 0.00 0.00 61.98 60.45 3hn3 s VAL 269 Cb -0.15 -3.67 -0.18 0.00 -1.53 0.00 0.00 36.38 30.84 3hn3 s VAL 269 CO 0.12 0.02 0.22 1.33 -3.33 0.00 0.00 175.10 173.46 3hn3 n VAL 270 N 4.51 0.18 -3.56 2.04 0.24 0.35 -4.94 118.33 117.14 3hn3 n VAL 270 Ca 0.13 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 3hn3 n VAL 270 Cb 0.43 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.73 -1.24 0.10 2.33 0.00 -1.19 -4.76 121.76 114.27 3hn3 s ALA 271 Ca -0.05 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 3hn3 s ALA 271 Cb 0.07 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.92 3hn3 s ALA 271 CO 0.51 -0.64 0.64 0.54 0.00 0.00 0.00 175.76 176.81 3hn3 s ASN 272 N -2.54 -0.58 0.00 0.00 4.22 -1.26 -0.82 114.94 113.97 3hn3 s ASN 272 Ca -0.00 0.17 0.00 0.00 -2.14 0.00 0.00 52.86 50.89 3hn3 s ASN 272 Cb 0.00 0.57 0.00 0.00 1.28 0.00 0.00 41.25 43.10 3hn3 s ASN 272 CO -0.09 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 174.72 3hn3 n GLY 273 N -0.07 2.23 3.41 0.45 0.00 0.62 -4.98 105.19 106.85 3hn3 n GLY 273 Ca -0.17 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.94 115.64 108.98 3hn3 s THR 274 Ca 0.00 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3hn3 s THR 274 Cb 0.00 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.24 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 -0.58 -1.19 0.10 3.99 0.00 -1.10 -4.52 105.19 101.89 3hn3 n GLY 275 Ca 0.03 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.09 0.59 -3.78 2.61 -2.24 -1.26 -4.75 114.28 104.35 3hn3 n THR 276 Ca 0.00 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 3hn3 n THR 276 Cb 0.00 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.61 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 -3.11 0.97 0.00 -0.78 -2.07 -1.26 0.32 119.66 113.73 3hn3 s GLN 277 Ca 0.10 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 52.76 3hn3 s GLN 277 Cb 0.12 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 3hn3 s GLN 277 CO 0.60 -0.35 0.00 0.41 -1.32 0.00 0.00 175.29 174.64 3hn3 n GLY 278 N -0.14 -0.78 2.76 2.60 0.00 -0.88 -4.89 105.19 103.85 3hn3 n GLY 278 Ca -0.15 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 0.62 -0.15 1.61 0.74 -1.26 -0.90 119.66 118.32 3hn3 s GLN 279 Ca 0.00 -0.07 -0.19 0.00 0.05 0.00 0.00 55.36 55.14 3hn3 s GLN 279 Cb 0.00 -1.38 -0.04 0.00 1.10 0.00 0.00 33.01 32.70 3hn3 s GLN 279 CO 0.00 -0.42 0.54 -0.51 -0.55 0.00 0.00 175.29 174.35 3hn3 s LEU 280 N 1.94 4.22 -0.13 3.68 1.43 0.64 -4.89 118.68 125.57 3hn3 s LEU 280 Ca 0.03 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 3hn3 s LEU 280 Cb -0.14 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 3hn3 s LEU 280 CO -0.06 -0.11 0.36 -0.75 0.23 0.00 0.00 176.35 176.01 3hn3 s LYS 281 N 1.15 4.21 -0.38 1.70 2.20 -1.26 -0.64 119.74 126.72 3hn3 s LYS 281 Ca 0.27 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3hn3 s LYS 281 Cb -0.16 -3.39 0.10 0.00 -1.51 0.00 0.00 37.83 32.87 3hn3 s LYS 281 CO 0.11 0.29 0.14 0.08 -0.36 0.00 0.00 175.35 175.61 3hn3 s VAL 282 N 0.26 2.96 0.29 4.02 1.01 0.14 -4.71 120.40 124.37 3hn3 s VAL 282 Ca 0.20 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 3hn3 s VAL 282 Cb -0.14 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 3hn3 s VAL 282 CO 0.07 -0.60 1.49 -2.84 0.00 0.00 0.00 175.10 173.22 3hn3 s PRO 283 N 1.09 4.20 -1.29 2.72 0.02 -1.26 -0.58 135.00 139.90 3hn3 s PRO 283 Ca 0.07 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.51 3hn3 s PRO 283 Cb -0.21 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3hn3 s PRO 283 CO -0.05 -0.49 0.87 0.41 -0.33 0.00 0.00 177.00 177.41 3hn3 n GLY 284 N 1.83 -0.35 3.73 0.52 0.00 -0.92 -4.89 105.19 105.12 3hn3 n GLY 284 Ca 0.06 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.50 2.11 -0.48 1.61 0.11 -0.93 -5.00 120.40 114.33 3hn3 s VAL 285 Ca 0.10 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 3hn3 s VAL 285 Cb -0.05 -2.99 0.10 0.00 -1.53 0.00 0.00 36.38 31.91 3hn3 s VAL 285 CO 0.78 -0.02 0.38 -0.44 -3.33 0.00 0.00 175.10 172.47 3hn3 s SER 286 N -1.46 5.95 0.59 3.54 0.01 -1.26 -4.97 113.70 116.09 3hn3 s SER 286 Ca 0.81 -1.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.29 3hn3 s SER 286 Cb -0.36 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3hn3 s SER 286 CO 0.39 -0.68 1.15 -0.76 0.41 0.00 0.00 173.24 173.75 3hn3 s LEU 287 N 1.52 3.64 -0.24 2.44 1.43 -1.26 -4.69 118.68 121.52 3hn3 s LEU 287 Ca 0.04 2.21 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 3hn3 s LEU 287 Cb -0.26 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.39 3hn3 s LEU 287 CO 0.03 -1.45 1.05 0.86 0.23 0.00 0.00 176.35 177.07 3hn3 s TRP 288 N -1.84 3.30 -0.05 0.29 -0.00 0.16 -4.29 118.94 116.51 3hn3 s TRP 288 Ca 0.73 1.42 0.05 0.00 -0.00 0.00 0.00 56.10 58.30 3hn3 s TRP 288 Cb -0.25 -3.33 -0.02 0.00 -0.00 0.00 0.00 33.47 29.87 3hn3 s TRP 288 CO 0.32 -0.55 -0.19 -1.58 -0.00 0.00 0.00 176.95 174.95 3hn3 s TRP 289 N 3.27 2.56 0.67 5.86 0.52 -1.26 -4.68 118.94 125.87 3hn3 s TRP 289 Ca 0.45 -0.36 -0.17 0.00 0.02 0.00 0.00 56.10 56.04 3hn3 s TRP 289 Cb -0.15 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3hn3 s TRP 289 CO 0.07 0.03 1.00 -2.30 0.02 0.00 0.00 176.95 175.78 3hn3 n PRO 290 N 2.53 0.72 -1.59 4.98 -0.02 -1.26 -0.41 135.00 139.94 3hn3 n PRO 290 Ca -0.17 0.30 -0.54 0.00 -2.02 0.00 0.00 63.50 61.06 3hn3 n PRO 290 Cb 0.52 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.15 1.44 -0.64 6.00 9.36 0.37 -1.18 117.16 130.35 3hn3 n TYR 291 Ca 0.14 0.71 0.00 0.00 3.32 0.00 0.00 57.90 62.07 3hn3 n TYR 291 Cb 0.49 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 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 2.72 0.22 0.14 2.98 4.77 -1.26 -4.77 117.00 121.80 3hn3 n LEU 292 Ca 0.20 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 3hn3 n LEU 292 Cb 0.16 -0.37 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3hn3 n LEU 292 CO 0.65 -0.11 0.44 -0.03 -1.33 0.00 0.00 177.39 177.01 3hn3 h MET 293 N 1.93 0.00 -2.69 3.23 4.05 -1.49 -3.47 114.93 116.49 3hn3 h MET 293 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 3hn3 h MET 293 Cb 0.00 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 30.60 3hn3 h MET 293 CO 0.00 0.00 -0.12 -1.58 0.23 0.00 0.00 176.91 175.44 3hn3 s HIS 294 N -3.25 -0.34 0.46 1.39 5.65 -1.24 -4.98 115.29 112.97 3hn3 s HIS 294 Ca 0.04 0.55 0.28 0.00 0.25 0.00 0.00 55.06 56.18 3hn3 s HIS 294 Cb 0.09 0.20 1.54 0.00 -1.18 0.00 0.00 32.58 33.23 3hn3 s HIS 294 CO 0.72 -0.47 2.12 0.93 -0.65 0.00 0.00 174.74 177.39 3hn3 h GLU 295 N 3.55 0.00 -2.70 2.88 5.08 -1.94 -3.28 114.58 118.18 3hn3 h GLU 295 Ca -0.29 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 3hn3 h GLU 295 Cb 1.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.02 3hn3 h GLU 295 CO 0.40 0.09 -0.79 1.03 -1.00 0.00 0.00 179.01 178.74 3hn3 s ARG 296 N -4.30 1.64 0.80 2.33 0.52 -1.26 -5.05 118.95 113.62 3hn3 s ARG 296 Ca -0.03 -2.70 -0.12 0.00 -0.52 0.00 0.00 55.73 52.36 3hn3 s ARG 296 Cb 0.14 -2.35 0.07 0.00 0.52 0.00 0.00 34.95 33.33 3hn3 s ARG 296 CO 0.58 -1.34 1.14 -1.25 0.02 0.00 0.00 175.30 174.45 3hn3 s PRO 297 N -0.66 2.05 -1.16 3.54 0.04 -1.24 -4.43 135.00 133.13 3hn3 s PRO 297 Ca 0.29 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 3hn3 s PRO 297 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3hn3 s PRO 297 CO -0.19 -1.57 0.27 0.00 0.04 0.00 0.00 177.00 175.55 3hn3 n ALA 298 N -3.34 -0.59 -1.71 8.56 0.00 0.46 -4.83 120.51 119.06 3hn3 n ALA 298 Ca 0.07 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 3hn3 n ALA 298 Cb 0.59 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.89 1.36 -0.14 0.00 6.14 -1.26 -4.80 117.35 115.75 3hn3 s TYR 299 Ca 0.13 -0.30 -0.00 0.00 0.64 0.00 0.00 57.07 57.54 3hn3 s TYR 299 Cb -0.06 -4.18 -0.01 0.00 0.42 0.00 0.00 41.96 38.13 3hn3 s TYR 299 CO 0.16 -5.23 -0.13 -0.51 0.64 0.00 0.00 175.55 170.48 3hn3 s LEU 300 N 4.73 2.66 0.61 6.97 1.43 -1.26 -4.26 118.68 129.56 3hn3 s LEU 300 Ca 0.87 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3hn3 s LEU 300 Cb -0.41 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.26 3hn3 s LEU 300 CO 0.40 0.14 0.87 -0.31 0.23 0.00 0.00 176.35 177.68 3hn3 s TYR 301 N 0.48 2.82 -0.06 0.29 2.02 1.00 -4.02 117.35 119.88 3hn3 s TYR 301 Ca -0.10 0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 3hn3 s TYR 301 Cb -0.16 -2.92 -0.00 0.00 -0.40 0.00 0.00 41.96 38.48 3hn3 s TYR 301 CO 0.04 -1.10 -0.19 -1.54 -1.57 0.00 0.00 175.55 171.20 3hn3 s SER 302 N -4.47 2.37 -0.41 2.29 1.04 0.39 0.27 113.70 115.17 3hn3 s SER 302 Ca 0.59 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.45 3hn3 s SER 302 Cb -0.10 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.24 3hn3 s SER 302 CO 0.41 0.15 0.40 -0.22 0.98 0.00 0.00 173.24 174.96 3hn3 s LEU 303 N 0.16 4.90 -0.37 2.42 2.96 0.59 -0.05 118.68 129.28 3hn3 s LEU 303 Ca -0.08 -0.70 -0.13 0.00 -0.22 0.00 0.00 54.13 53.00 3hn3 s LEU 303 Cb -0.14 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3hn3 s LEU 303 CO 0.04 -0.54 0.25 -0.70 -1.32 0.00 0.00 176.35 174.08 3hn3 s GLU 304 N 2.02 3.15 -0.26 1.98 2.12 0.50 -0.50 118.70 127.72 3hn3 s GLU 304 Ca 0.10 -0.88 -0.10 0.00 0.36 0.00 0.00 54.97 54.46 3hn3 s GLU 304 Cb -0.17 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 3hn3 s GLU 304 CO 0.13 -0.60 0.15 0.08 -0.54 0.00 0.00 175.26 174.47 3hn3 s VAL 305 N 1.66 5.01 -0.25 3.70 1.01 0.53 -1.76 120.40 130.30 3hn3 s VAL 305 Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3hn3 s VAL 305 Cb -0.18 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3hn3 s VAL 305 CO 0.09 0.30 -0.04 -1.58 0.00 0.00 0.00 175.10 173.87 3hn3 s GLN 306 N 1.56 3.00 -0.12 2.72 0.74 -0.22 -1.67 119.66 125.68 3hn3 s GLN 306 Ca 0.07 -0.87 -0.09 0.00 0.05 0.00 0.00 55.36 54.51 3hn3 s GLN 306 Cb -0.15 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 3hn3 s GLN 306 CO 0.08 -0.36 0.20 -1.17 -0.55 0.00 0.00 175.29 173.49 3hn3 s LEU 307 N 1.39 4.36 -0.17 3.68 2.96 0.16 -1.30 118.68 129.76 3hn3 s LEU 307 Ca 0.02 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3hn3 s LEU 307 Cb -0.16 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.38 3hn3 s LEU 307 CO -0.03 0.33 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.32 3hn3 s THR 308 N -0.68 1.56 0.05 3.68 2.01 -0.73 -1.08 115.64 120.45 3hn3 s THR 308 Ca 0.15 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.43 3hn3 s THR 308 Cb -0.13 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3hn3 s THR 308 CO 0.05 0.34 -0.11 0.00 -0.69 0.00 0.00 174.62 174.20 3hn3 s ALA 309 N 1.47 0.91 -0.20 7.40 0.00 -0.63 -1.18 121.76 129.54 3hn3 s ALA 309 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3hn3 s ALA 309 Cb -0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3hn3 s ALA 309 CO -0.10 0.11 0.17 -0.65 0.00 0.00 0.00 175.76 175.30 3hn3 s GLN 310 N -1.40 4.18 0.36 0.00 1.11 -1.04 -0.32 119.66 122.56 3hn3 s GLN 310 Ca -0.03 -0.16 0.03 0.00 0.01 0.00 0.00 55.36 55.20 3hn3 s GLN 310 Cb -0.09 -3.44 -0.01 0.00 -1.01 0.00 0.00 33.01 28.46 3hn3 s GLN 310 CO 0.01 0.24 0.10 0.25 0.01 0.00 0.00 175.29 175.90 3hn3 n THR 311 N 3.67 0.00 0.22 -0.19 -2.24 -0.41 -4.70 114.28 110.64 3hn3 n THR 311 Ca -0.15 -1.99 0.08 0.00 -2.27 0.00 0.00 64.05 59.73 3hn3 n THR 311 Cb 0.52 0.65 0.50 0.00 -2.10 0.00 0.00 70.33 69.89 3hn3 n THR 311 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hn3 h SER 312 N 1.29 0.00 -0.50 3.42 0.02 -2.01 -2.72 113.55 113.04 3hn3 h SER 312 Ca -0.28 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.50 3hn3 h SER 312 Cb 1.02 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.46 3hn3 h SER 312 CO 0.45 0.26 0.12 0.18 -1.14 0.00 0.00 176.83 176.70 3hn3 n LEU 313 N -3.62 4.90 0.00 5.07 4.77 -1.26 -5.08 117.00 121.78 3hn3 n LEU 313 Ca -0.01 -3.37 0.00 0.00 -0.03 0.00 0.00 56.01 52.60 3hn3 n LEU 313 Cb 0.38 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3hn3 n LEU 313 CO 0.34 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3hn3 n GLY 314 N -0.65 -3.02 3.78 -0.72 0.00 -1.03 -4.98 105.19 98.57 3hn3 n GLY 314 Ca 0.34 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 3hn3 n GLY 314 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hn3 s PRO 315 N -0.67 3.86 0.15 1.61 0.04 -1.26 -1.29 135.00 137.45 3hn3 s PRO 315 Ca 0.00 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.75 3hn3 s PRO 315 Cb 0.00 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3hn3 s PRO 315 CO 0.00 -0.44 -0.09 0.14 0.04 0.00 0.00 177.00 176.65 3hn3 s VAL 316 N -1.61 1.14 -0.02 -0.36 -7.23 0.57 -4.92 120.40 107.97 3hn3 s VAL 316 Ca 0.62 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 3hn3 s VAL 316 Cb -0.26 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3hn3 s VAL 316 CO 0.32 -0.72 -0.24 -0.44 -0.31 0.00 0.00 175.10 173.70 3hn3 s SER 317 N -3.17 2.84 -0.04 4.85 0.01 -1.26 -1.60 113.70 115.34 3hn3 s SER 317 Ca 0.17 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.03 3hn3 s SER 317 Cb 0.03 -0.36 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 3hn3 s SER 317 CO 0.01 0.29 -0.15 -0.62 0.41 0.00 0.00 173.24 173.18 3hn3 s ASP 318 N -0.52 1.93 -0.09 2.44 2.15 -0.24 -4.73 116.67 117.60 3hn3 s ASP 318 Ca 0.08 -0.31 0.02 0.00 0.43 0.00 0.00 52.55 52.77 3hn3 s ASP 318 Cb -0.10 -0.50 0.01 0.00 -0.30 0.00 0.00 42.92 42.04 3hn3 s ASP 318 CO -0.01 0.14 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.61 3hn3 s PHE 319 N 0.02 1.97 -0.01 -5.34 0.40 -1.26 0.39 117.98 114.15 3hn3 s PHE 319 Ca -0.02 -0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 55.46 3hn3 s PHE 319 Cb -0.10 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.04 3hn3 s PHE 319 CO 0.01 -0.40 0.02 -0.47 0.70 0.00 0.00 175.22 175.08 3hn3 s TYR 320 N 0.72 -0.01 -0.15 0.36 6.14 -0.67 -4.74 117.35 118.99 3hn3 s TYR 320 Ca -0.12 0.07 0.01 0.00 0.64 0.00 0.00 57.07 57.66 3hn3 s TYR 320 Cb -0.16 -0.04 0.02 0.00 0.42 0.00 0.00 41.96 42.20 3hn3 s TYR 320 CO 0.03 -0.03 -0.16 0.99 0.64 0.00 0.00 175.55 177.02 3hn3 s THR 321 N 0.23 1.70 -0.20 4.34 2.01 -1.26 -0.35 115.64 122.11 3hn3 s THR 321 Ca -0.02 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 3hn3 s THR 321 Cb -0.03 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 3hn3 s THR 321 CO -0.01 0.48 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.16 3hn3 s LEU 322 N 1.31 3.10 0.40 4.42 2.96 0.35 -4.91 118.68 126.30 3hn3 s LEU 322 Ca 0.02 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.39 3hn3 s LEU 322 Cb -0.13 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.68 3hn3 s LEU 322 CO -0.09 0.04 1.37 -2.84 -1.32 0.00 0.00 176.35 173.51 3hn3 s PRO 323 N 1.12 3.99 -0.06 0.98 0.02 -1.26 -0.30 135.00 139.49 3hn3 s PRO 323 Ca 0.02 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.37 3hn3 s PRO 323 Cb -0.15 -2.83 0.02 0.00 0.02 0.00 0.00 34.50 31.56 3hn3 s PRO 323 CO 0.01 -0.53 -0.07 0.08 -0.33 0.00 0.00 177.00 176.15 3hn3 s VAL 324 N -1.20 0.81 -0.24 3.83 1.01 0.14 -4.86 120.40 119.89 3hn3 s VAL 324 Ca 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3hn3 s VAL 324 Cb -0.41 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3hn3 s VAL 324 CO 0.54 0.29 -0.05 -0.83 0.00 0.00 0.00 175.10 175.06 3hn3 s GLY 325 N 0.99 1.63 -0.55 4.51 0.00 -1.26 -0.00 107.32 112.64 3hn3 s GLY 325 Ca -0.09 -1.39 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 3hn3 s GLY 325 CO 0.00 0.51 1.04 -0.42 0.00 0.00 0.00 173.10 174.22 3hn3 s ILE 326 N 1.37 4.25 0.04 0.90 1.01 -1.26 -4.76 121.20 122.75 3hn3 s ILE 326 Ca 0.02 0.58 -0.28 0.00 0.00 0.00 0.00 60.65 60.97 3hn3 s ILE 326 Cb -0.16 -4.60 0.07 0.00 0.01 0.00 0.00 42.46 37.78 3hn3 s ILE 326 CO -0.04 -1.17 0.66 0.00 0.00 0.00 0.00 174.94 174.39 3hn3 s ARG 327 N 4.32 1.14 0.22 2.79 1.04 -1.26 -0.66 118.95 126.54 3hn3 s ARG 327 Ca 0.36 -0.06 0.11 0.00 -1.04 0.00 0.00 55.73 55.10 3hn3 s ARG 327 Cb -0.10 0.53 -0.05 0.00 -2.04 0.00 0.00 34.95 33.29 3hn3 s ARG 327 CO 0.23 -0.42 -0.20 0.95 -0.04 0.00 0.00 175.30 175.81 3hn3 s THR 328 N -2.30 2.24 -0.03 4.99 -4.23 -1.26 -4.62 115.64 110.43 3hn3 s THR 328 Ca -0.05 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.30 3hn3 s THR 328 Cb -0.00 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3hn3 s THR 328 CO -0.00 -0.31 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.01 3hn3 s VAL 329 N -2.18 0.62 -0.01 2.29 1.01 -1.26 -1.18 120.40 119.69 3hn3 s VAL 329 Ca 0.23 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 3hn3 s VAL 329 Cb -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3hn3 s VAL 329 CO 0.11 0.21 0.33 0.00 0.00 0.00 0.00 175.10 175.74 3hn3 s ALA 330 N 0.35 -0.81 -0.10 5.51 0.00 -0.45 -4.86 121.76 121.39 3hn3 s ALA 330 Ca -0.05 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3hn3 s ALA 330 Cb -0.09 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3hn3 s ALA 330 CO 0.00 -0.29 -0.22 0.08 0.00 0.00 0.00 175.76 175.33 3hn3 s VAL 331 N -1.54 1.92 0.00 0.00 1.01 -1.26 0.01 120.40 120.54 3hn3 s VAL 331 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3hn3 s VAL 331 Cb -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3hn3 s VAL 331 CO 0.03 0.53 0.00 0.35 0.00 0.00 0.00 175.10 176.01 3hn3 n THR 332 N 3.68 0.00 0.34 3.92 -2.24 -0.44 -5.01 114.28 114.53 3hn3 n THR 332 Ca -0.20 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 3hn3 n THR 332 Cb 0.53 -0.62 0.44 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3hn3 n SER 334 N -2.81 0.08 -4.13 0.86 3.41 -1.26 -3.33 113.62 106.44 3hn3 n SER 334 Ca 0.03 -0.84 -0.14 0.00 -0.26 0.00 0.00 58.87 57.66 3hn3 n SER 334 Cb 0.39 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.02 0.71 -0.26 4.33 -0.21 -1.26 -4.32 119.66 118.64 3hn3 s GLN 335 Ca 0.00 -0.97 -0.02 0.00 0.02 0.00 0.00 55.36 54.38 3hn3 s GLN 335 Cb 0.00 -0.47 0.03 0.00 1.00 0.00 0.00 33.01 33.57 3hn3 s GLN 335 CO 0.00 0.08 -0.03 0.12 -2.12 0.00 0.00 175.29 173.34 3hn3 s PHE 336 N -1.88 3.11 -0.20 0.91 2.19 -1.26 -1.32 117.98 119.53 3hn3 s PHE 336 Ca -0.02 -1.54 -0.08 0.00 0.33 0.00 0.00 56.93 55.63 3hn3 s PHE 336 Cb -0.06 -2.09 -0.04 0.00 -1.31 0.00 0.00 43.02 39.51 3hn3 s PHE 336 CO 0.00 -0.72 0.08 -0.51 1.83 0.00 0.00 175.22 175.90 3hn3 s LEU 337 N 1.33 3.85 -0.21 6.12 1.43 0.10 -0.45 118.68 130.85 3hn3 s LEU 337 Ca -0.01 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3hn3 s LEU 337 Cb -0.17 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3hn3 s LEU 337 CO -0.03 0.13 -0.06 -0.63 0.23 0.00 0.00 176.35 175.99 3hn3 s ILE 338 N 0.62 3.23 -1.47 -0.59 1.01 -0.39 -1.34 121.20 122.27 3hn3 s ILE 338 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3hn3 s ILE 338 Cb -0.13 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.94 3hn3 s ILE 338 CO 0.01 0.44 0.90 0.59 0.00 0.00 0.00 174.94 176.88 3hn3 n ASN 339 N 4.69 -5.28 0.00 3.58 3.02 -0.32 -1.46 115.26 119.49 3hn3 n ASN 339 Ca -0.18 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hn3 n ASN 339 Cb 0.51 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 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 -1.66 0.40 3.59 7.41 0.00 -1.26 -5.00 105.19 108.66 3hn3 n GLY 340 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hn3 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hn3 s LYS 341 N -0.70 2.71 0.18 1.61 1.02 -0.53 -5.01 119.74 119.01 3hn3 s LYS 341 Ca 0.00 -0.59 -0.33 0.00 0.02 0.00 0.00 55.97 55.07 3hn3 s LYS 341 Cb 0.00 -2.58 -0.13 0.00 -0.52 0.00 0.00 37.83 34.60 3hn3 s LYS 341 CO 0.00 0.65 1.63 -2.30 -0.92 0.00 0.00 175.35 174.41 3hn3 n PRO 342 N 2.02 2.38 -4.80 -1.68 -0.02 -1.26 -1.26 135.00 130.38 3hn3 n PRO 342 Ca -0.17 0.86 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 3hn3 n PRO 342 Cb 0.53 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.97 2.49 -0.14 6.00 5.36 0.40 -4.86 117.98 128.20 3hn3 s PHE 343 Ca 0.77 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.44 3hn3 s PHE 343 Cb -0.61 -1.46 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3hn3 s PHE 343 CO 0.36 0.19 -0.15 -0.47 -1.46 0.00 0.00 175.22 173.70 3hn3 s TYR 344 N -0.85 2.12 -0.08 10.12 6.14 -1.26 -4.41 117.35 129.13 3hn3 s TYR 344 Ca 0.13 -1.13 -0.30 0.00 0.64 0.00 0.00 57.07 56.41 3hn3 s TYR 344 Cb -0.10 -1.55 -0.04 0.00 0.42 0.00 0.00 41.96 40.69 3hn3 s TYR 344 CO 0.03 -0.61 1.43 -0.06 0.64 0.00 0.00 175.55 176.98 3hn3 s PHE 345 N 1.33 2.58 -0.41 4.97 0.08 -0.52 -4.96 117.98 121.04 3hn3 s PHE 345 Ca 0.01 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.77 3hn3 s PHE 345 Cb -0.13 -3.68 0.13 0.00 -0.57 0.00 0.00 43.02 38.76 3hn3 s PHE 345 CO -0.08 -2.60 0.21 -3.38 -0.10 0.00 0.00 175.22 169.27 3hn3 s HIS 346 N 3.31 2.01 0.00 0.36 -3.43 -1.26 -0.87 115.29 115.42 3hn3 s HIS 346 Ca 0.63 -2.34 0.00 0.00 -0.80 0.00 0.00 55.06 52.55 3hn3 s HIS 346 Cb -0.28 -1.91 0.00 0.00 -1.43 0.00 0.00 32.58 28.96 3hn3 s HIS 346 CO 0.23 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 3hn3 n GLY 347 N 3.79 4.58 3.21 -1.38 0.00 -0.49 -1.96 105.19 112.94 3hn3 n GLY 347 Ca 0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.41 0.06 0.05 1.61 -7.23 -0.86 -2.57 120.40 111.05 3hn3 s VAL 348 Ca 0.00 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 3hn3 s VAL 348 Cb 0.00 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 3hn3 s VAL 348 CO 0.00 -0.26 0.22 0.20 -0.31 0.00 0.00 175.10 174.95 3hn3 s ASN 349 N -3.08 6.38 0.17 4.85 0.01 -0.59 -2.42 114.94 120.26 3hn3 s ASN 349 Ca 0.28 0.32 0.01 0.00 -0.71 0.00 0.00 52.86 52.76 3hn3 s ASN 349 Cb 0.06 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 3hn3 s ASN 349 CO 0.06 0.18 0.02 0.29 -1.51 0.00 0.00 177.10 176.14 3hn3 n LYS 350 N 0.41 1.23 -3.72 -0.60 5.02 -1.22 -0.87 118.16 118.41 3hn3 n LYS 350 Ca -0.06 -1.28 -0.13 0.00 -2.02 0.00 0.00 58.31 54.82 3hn3 n LYS 350 Cb 0.51 0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 35.94 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 -1.85 -0.20 -0.84 2.13 3.76 -1.26 -4.27 115.29 112.76 3hn3 s HIS 351 Ca 0.03 0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.91 3hn3 s HIS 351 Cb 0.00 0.14 0.06 0.00 1.11 0.00 0.00 32.58 33.89 3hn3 s HIS 351 CO 0.02 -0.48 1.25 -1.21 -0.85 0.00 0.00 174.74 173.47 3hn3 s GLU 352 N -2.01 3.36 -0.28 1.40 2.02 -1.26 -4.93 118.70 116.99 3hn3 s GLU 352 Ca -0.08 -0.85 -0.16 0.00 0.02 0.00 0.00 54.97 53.90 3hn3 s GLU 352 Cb -0.02 -4.67 0.09 0.00 0.10 0.00 0.00 34.13 29.62 3hn3 s GLU 352 CO 0.00 -2.05 0.72 0.34 0.02 0.00 0.00 175.26 174.29 3hn3 s ASP 353 N 4.12 -0.91 0.22 -0.19 -1.08 -1.25 -4.11 116.67 113.47 3hn3 s ASP 353 Ca 0.36 1.45 -0.19 0.00 -0.52 0.00 0.00 52.55 53.65 3hn3 s ASP 353 Cb -0.07 1.40 0.03 0.00 -1.46 0.00 0.00 42.92 42.82 3hn3 s ASP 353 CO 0.03 -0.23 0.58 0.00 0.52 0.00 0.00 175.17 176.07 3hn3 s ALA 354 N 1.65 -1.01 0.36 3.66 0.00 0.08 -4.99 121.76 121.49 3hn3 s ALA 354 Ca -0.10 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 3hn3 s ALA 354 Cb -0.05 0.88 -0.12 0.00 0.00 0.00 0.00 23.12 23.83 3hn3 s ALA 354 CO -0.19 -0.87 1.23 -0.25 0.00 0.00 0.00 175.76 175.68 3hn3 n ASP 355 N -0.38 2.43 0.00 0.00 8.00 -1.26 -2.40 116.55 122.94 3hn3 n ASP 355 Ca -0.08 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.59 3hn3 n ASP 355 Cb 0.62 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 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 0.16 0.00 1.27 0.53 2.08 -1.26 -4.30 119.36 117.84 3hn3 n ILE 356 Ca 0.06 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.51 3hn3 n ILE 356 Cb 0.36 0.00 0.55 0.00 -0.75 0.00 0.00 39.64 39.81 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 0.46 0.00 0.38 1.85 -1.25 -4.16 116.66 113.95 3hn3 n ARG 357 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 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 1.35 2.77 0.97 2.89 0.00 -1.01 -0.92 105.19 111.24 3hn3 n GLY 358 Ca 0.12 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.41 3hn3 n GLY 358 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hn3 n LYS 359 N 7.12 2.24 -1.74 1.61 5.02 -1.26 -0.74 118.16 130.41 3hn3 n LYS 359 Ca 0.00 -1.90 -0.42 0.00 -2.02 0.00 0.00 58.31 53.97 3hn3 n LYS 359 Cb 0.00 -1.44 -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 0.41 -0.52 0.00 0.00 177.40 177.29 3hn3 n GLY 360 N 1.37 1.20 3.77 0.72 0.00 -0.31 -4.80 105.19 107.13 3hn3 n GLY 360 Ca 0.18 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 3hn3 n GLY 360 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hn3 s PHE 361 N -0.22 2.82 -0.19 1.61 5.36 -0.26 -4.91 117.98 122.18 3hn3 s PHE 361 Ca 0.63 1.38 -0.08 0.00 -0.96 0.00 0.00 56.93 57.90 3hn3 s PHE 361 Cb -0.52 -3.72 0.08 0.00 -0.34 0.00 0.00 43.02 38.52 3hn3 s PHE 361 CO 0.51 -2.17 0.43 0.34 -1.46 0.00 0.00 175.22 172.87 3hn3 s ASP 362 N -0.63 -0.40 0.04 6.13 2.15 -1.26 -4.80 116.67 117.90 3hn3 s ASP 362 Ca 0.55 0.99 -0.24 0.00 0.43 0.00 0.00 52.55 54.28 3hn3 s ASP 362 Cb -0.39 1.14 -0.17 0.00 -0.30 0.00 0.00 42.92 43.20 3hn3 s ASP 362 CO 0.51 -0.22 1.50 -0.50 -0.17 0.00 0.00 175.17 176.30 3hn3 h TRP 363 N 7.71 0.05 -0.49 -5.34 4.06 -1.99 -2.03 115.95 117.92 3hn3 h TRP 363 Ca -0.25 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.76 3hn3 h TRP 363 Cb 1.14 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 29.24 3hn3 h TRP 363 CO 0.26 0.28 0.20 -1.35 -3.56 0.00 0.00 178.44 174.27 3hn3 h PRO 364 N -0.20 0.39 -0.37 0.49 0.11 -2.00 -1.52 132.00 128.90 3hn3 h PRO 364 Ca 0.01 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3hn3 h PRO 364 Cb 0.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3hn3 h PRO 364 CO 0.00 0.25 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.86 3hn3 h LEU 365 N 0.40 0.64 0.15 2.35 3.38 -1.98 -0.37 115.31 119.87 3hn3 h LEU 365 Ca 0.23 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hn3 h LEU 365 Cb 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hn3 h LEU 365 CO -0.20 0.78 -0.18 0.25 0.09 0.00 0.00 178.44 179.18 3hn3 h LEU 366 N 0.60 -0.48 -0.63 1.67 5.85 -1.07 0.28 115.31 121.53 3hn3 h LEU 366 Ca 0.11 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3hn3 h LEU 366 Cb 0.54 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3hn3 h LEU 366 CO 0.03 -0.26 0.11 0.58 -0.34 0.00 0.00 178.44 178.56 3hn3 h VAL 367 N -0.37 1.26 -0.32 1.05 2.07 -1.11 -2.23 116.25 116.60 3hn3 h VAL 367 Ca 0.01 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.57 3hn3 h VAL 367 Cb 0.37 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3hn3 h VAL 367 CO -0.07 0.37 0.09 0.50 0.02 0.00 0.00 177.57 178.48 3hn3 h LYS 368 N 0.95 0.21 -0.65 1.57 1.63 -0.94 -0.58 116.57 118.77 3hn3 h LYS 368 Ca 0.19 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3hn3 h LYS 368 Cb 0.42 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3hn3 h LYS 368 CO 0.01 0.14 0.42 -0.44 -3.45 0.00 0.00 179.45 176.13 3hn3 h ASP 369 N 0.21 0.71 -0.36 4.20 5.19 -0.70 -0.17 116.42 125.50 3hn3 h ASP 369 Ca 0.15 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.45 3hn3 h ASP 369 Cb 0.14 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 3hn3 h ASP 369 CO -0.18 0.51 -0.10 -0.26 -3.12 0.00 0.00 179.24 176.10 3hn3 h PHE 370 N 0.85 0.87 -0.96 4.55 0.04 -0.92 0.10 116.94 121.46 3hn3 h PHE 370 Ca 0.24 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3hn3 h PHE 370 Cb -0.06 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 37.82 3hn3 h PHE 370 CO -0.04 0.85 0.64 -0.91 -0.60 0.00 0.00 178.31 178.25 3hn3 h ASN 371 N 0.72 1.11 -0.41 2.17 2.35 -0.62 -1.29 115.58 119.61 3hn3 h ASN 371 Ca 0.12 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 3hn3 h ASN 371 Cb 0.58 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3hn3 h ASN 371 CO 0.04 0.81 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.23 3hn3 h LEU 372 N 1.31 1.00 -0.18 1.61 3.38 -0.30 -0.15 115.31 121.98 3hn3 h LEU 372 Ca 0.35 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hn3 h LEU 372 Cb -0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.30 3hn3 h LEU 372 CO -0.08 1.23 0.05 -0.07 0.09 0.00 0.00 178.44 179.67 3hn3 h LEU 373 N 0.78 0.04 -0.71 1.67 3.38 -0.61 0.20 115.31 120.06 3hn3 h LEU 373 Ca 0.08 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3hn3 h LEU 373 Cb 0.92 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3hn3 h LEU 373 CO 0.09 0.05 0.10 0.03 0.09 0.00 0.00 178.44 178.80 3hn3 h ARG 374 N 0.13 1.09 -0.55 1.13 3.08 -1.08 -1.85 114.38 116.34 3hn3 h ARG 374 Ca 0.08 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 59.87 3hn3 h ARG 374 Cb 0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3hn3 h ARG 374 CO -0.09 1.00 0.31 2.35 -1.07 0.00 0.00 179.97 182.47 3hn3 h TRP 375 N 1.02 0.58 0.00 3.04 7.01 -0.75 -2.36 115.95 124.49 3hn3 h TRP 375 Ca 0.20 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3hn3 h TRP 375 Cb 0.45 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3hn3 h TRP 375 CO 0.03 0.31 -0.06 1.25 -2.79 0.00 0.00 178.44 177.18 3hn3 h LEU 376 N 0.61 0.00 0.00 0.65 5.85 -0.17 -3.46 115.31 118.79 3hn3 h LEU 376 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hn3 h LEU 376 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hn3 h LEU 376 CO -0.13 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 178.64 3hn3 n GLY 377 N -0.99 0.43 3.71 3.75 0.00 -0.89 -4.24 105.19 106.96 3hn3 n GLY 377 Ca -0.02 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.57 4.61 0.00 -0.74 -4.69 121.76 120.73 3hn3 s ALA 378 Ca 0.00 0.78 0.16 0.00 0.00 0.00 0.00 51.96 52.90 3hn3 s ALA 378 Cb 0.00 -3.43 0.36 0.00 0.00 0.00 0.00 23.12 20.04 3hn3 s ALA 378 CO 0.00 -0.42 1.27 0.27 0.00 0.00 0.00 175.76 176.88 3hn3 n ASN 379 N 4.00 3.07 -3.55 0.00 6.94 -0.83 -4.58 115.26 120.31 3hn3 n ASN 379 Ca 0.09 -1.91 -0.15 0.00 -0.02 0.00 0.00 54.58 52.59 3hn3 n ASN 379 Cb 0.47 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.59 3hn3 n ASN 379 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hn3 s ALA 380 N -1.11 -1.82 0.06 -2.53 0.00 -1.26 -1.23 121.76 113.87 3hn3 s ALA 380 Ca 0.30 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.71 3hn3 s ALA 380 Cb 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3hn3 s ALA 380 CO 0.22 -0.34 0.02 -0.59 0.00 0.00 0.00 175.76 175.07 3hn3 s PHE 381 N -0.97 0.42 -0.10 0.00 -0.12 -0.19 -2.04 117.98 114.98 3hn3 s PHE 381 Ca -0.07 -0.94 -0.08 0.00 -0.05 0.00 0.00 56.93 55.79 3hn3 s PHE 381 Cb -0.01 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 3hn3 s PHE 381 CO 0.06 -0.42 0.18 0.50 -0.05 0.00 0.00 175.22 175.49 3hn3 s ARG 382 N -3.86 3.50 -1.52 1.99 3.52 -1.01 -1.74 118.95 119.84 3hn3 s ARG 382 Ca 0.06 -0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 3hn3 s ARG 382 Cb 0.07 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3hn3 s ARG 382 CO -0.10 0.77 2.59 0.25 -0.81 0.00 0.00 175.30 178.00 3hn3 n THR 383 N 1.94 4.15 -1.94 4.11 -2.24 -0.50 -3.37 114.28 116.44 3hn3 n THR 383 Ca -0.19 -3.04 -0.42 0.00 -2.27 0.00 0.00 64.05 58.13 3hn3 n THR 383 Cb 0.55 -2.54 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 3hn3 n THR 383 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hn3 s SER 384 N 2.20 6.61 -0.45 3.42 1.04 -1.26 -1.17 113.70 124.09 3hn3 s SER 384 Ca 0.59 2.52 0.09 0.00 0.48 0.00 0.00 55.95 59.62 3hn3 s SER 384 Cb 0.16 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 64.10 3hn3 s SER 384 CO -0.07 -0.86 0.95 1.41 0.98 0.00 0.00 173.24 175.65 3hn3 n HIS 385 N 5.05 2.51 -3.62 5.02 -0.00 -1.26 -4.33 115.22 118.59 3hn3 n HIS 385 Ca 0.15 -3.47 -0.04 0.00 -0.00 0.00 0.00 57.72 54.36 3hn3 n HIS 385 Cb 0.40 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.99 30.03 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 -3.21 -0.10 0.41 4.41 -0.85 -0.32 -3.77 117.35 113.93 3hn3 s TYR 386 Ca 0.43 0.10 -0.26 0.00 -0.52 0.00 0.00 57.07 56.82 3hn3 s TYR 386 Cb 0.36 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 43.12 3hn3 s TYR 386 CO -0.11 -0.13 1.25 -1.25 -1.52 0.00 0.00 175.55 173.80 3hn3 s PRO 387 N -1.83 3.96 0.67 -3.49 0.04 -0.92 -4.67 135.00 128.77 3hn3 s PRO 387 Ca 0.09 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 3hn3 s PRO 387 Cb -0.01 -2.70 0.07 0.00 0.04 0.00 0.00 34.50 31.89 3hn3 s PRO 387 CO -0.05 -0.46 0.95 0.71 0.04 0.00 0.00 177.00 178.20 3hn3 s TYR 388 N -1.32 2.64 0.37 0.56 2.02 -1.26 -4.87 117.35 115.48 3hn3 s TYR 388 Ca 0.58 0.18 -0.25 0.00 -0.37 0.00 0.00 57.07 57.21 3hn3 s TYR 388 Cb -0.35 -3.07 -0.12 0.00 -0.40 0.00 0.00 41.96 38.01 3hn3 s TYR 388 CO 0.45 -1.34 0.91 0.00 -1.57 0.00 0.00 175.55 173.99 3hn3 n ALA 389 N -2.77 -0.36 -0.31 3.71 0.00 -1.26 -4.86 120.51 114.66 3hn3 n ALA 389 Ca 0.09 0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.91 3hn3 n ALA 389 Cb 0.60 -1.99 0.32 0.00 0.00 0.00 0.00 19.45 18.38 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 1.55 0.79 -0.78 0.00 5.08 -1.96 -1.07 114.58 118.19 3hn3 h GLU 390 Ca -0.41 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.02 3hn3 h GLU 390 Cb 1.35 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 3hn3 h GLU 390 CO 0.57 0.53 0.51 0.93 -1.00 0.00 0.00 179.01 180.55 3hn3 h GLU 391 N 0.82 0.58 -0.64 2.33 3.07 -1.99 0.19 114.58 118.94 3hn3 h GLU 391 Ca 0.47 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.25 3hn3 h GLU 391 Cb 0.63 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3hn3 h GLU 391 CO -0.24 0.38 0.20 0.28 -1.40 0.00 0.00 179.01 178.24 3hn3 h VAL 392 N 0.60 1.25 -0.29 3.13 2.07 -1.54 -1.76 116.25 119.72 3hn3 h VAL 392 Ca 0.37 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 3hn3 h VAL 392 Cb 0.62 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hn3 h VAL 392 CO -0.14 0.32 -0.42 0.24 0.02 0.00 0.00 177.57 177.59 3hn3 h MET 393 N 0.92 0.71 -0.95 1.57 2.86 -1.03 -1.17 114.93 117.84 3hn3 h MET 393 Ca 0.21 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3hn3 h MET 393 Cb 0.29 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3hn3 h MET 393 CO -0.01 0.99 0.60 1.96 1.06 0.00 0.00 176.91 181.52 3hn3 h GLN 394 N 0.57 1.27 -0.55 1.72 1.08 -0.92 -1.49 115.11 116.80 3hn3 h GLN 394 Ca 0.04 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 3hn3 h GLN 394 Cb 0.96 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3hn3 h GLN 394 CO 0.09 0.86 -0.07 0.52 -0.95 0.00 0.00 178.83 179.29 3hn3 h MET 395 N 1.30 1.01 -0.66 1.46 2.86 -0.93 -2.62 114.93 117.36 3hn3 h MET 395 Ca 0.35 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3hn3 h MET 395 Cb -0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.44 3hn3 h MET 395 CO -0.07 1.04 0.42 0.00 1.06 0.00 0.00 176.91 179.36 3hn3 h ASP 397 N 0.85 0.69 1.16 0.00 3.32 -1.18 -0.68 116.42 120.59 3hn3 h ASP 397 Ca 0.25 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 3hn3 h ASP 397 Cb -0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3hn3 h ASP 397 CO -0.07 0.40 -0.87 0.03 -1.72 0.00 0.00 179.24 177.00 3hn3 h ARG 398 N 0.81 0.00 -0.00 3.56 3.08 -0.92 -3.31 114.38 117.60 3hn3 h ARG 398 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3hn3 h ARG 398 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hn3 h ARG 398 CO -0.24 0.57 -0.85 0.66 -1.07 0.00 0.00 179.97 179.04 3hn3 n TYR 399 N -3.17 0.00 -1.44 3.04 4.02 0.39 -4.84 117.16 115.15 3hn3 n TYR 399 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.84 3hn3 n TYR 399 Cb 0.82 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 40.10 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 1.49 0.50 3.55 2.72 0.00 -0.29 -4.33 105.19 108.82 3hn3 n GLY 400 Ca 0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.14 4.82 0.70 -0.61 -1.09 -1.02 -0.48 121.20 121.38 3hn3 s ILE 401 Ca 0.00 0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.71 3hn3 s ILE 401 Cb 0.00 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 3hn3 s ILE 401 CO 0.00 -0.48 1.09 0.68 -1.23 0.00 0.00 174.94 175.00 3hn3 s VAL 402 N 2.86 3.42 -0.04 2.92 -7.23 -0.36 -4.63 120.40 117.35 3hn3 s VAL 402 Ca 0.25 0.56 0.01 0.00 -1.81 0.00 0.00 61.98 60.99 3hn3 s VAL 402 Cb -0.14 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.73 3hn3 s VAL 402 CO 0.18 -0.51 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.71 3hn3 s VAL 403 N -2.66 0.55 -0.44 1.32 1.01 0.74 -1.03 120.40 119.89 3hn3 s VAL 403 Ca 0.63 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 3hn3 s VAL 403 Cb -0.18 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.69 3hn3 s VAL 403 CO 0.48 0.21 0.48 -0.63 0.00 0.00 0.00 175.10 175.64 3hn3 s ILE 404 N 0.67 5.05 -0.37 2.22 1.01 -0.71 -1.27 121.20 127.80 3hn3 s ILE 404 Ca -0.09 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 3hn3 s ILE 404 Cb -0.12 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3hn3 s ILE 404 CO 0.00 -0.51 0.59 -0.62 0.00 0.00 0.00 174.94 174.40 3hn3 s ASP 405 N 2.03 6.36 -0.12 3.58 -1.08 -0.10 -1.41 116.67 125.93 3hn3 s ASP 405 Ca 0.12 -0.02 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 3hn3 s ASP 405 Cb -0.18 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 38.97 3hn3 s ASP 405 CO 0.13 -0.58 -0.16 -0.70 0.52 0.00 0.00 175.17 174.38 3hn3 s GLU 406 N 2.59 3.28 0.82 4.34 2.12 -1.26 -1.35 118.70 129.24 3hn3 s GLU 406 Ca 0.22 -0.74 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 3hn3 s GLU 406 Cb -0.15 -2.53 0.09 0.00 0.26 0.00 0.00 34.13 31.79 3hn3 s GLU 406 CO 0.15 0.21 1.19 0.00 -0.54 0.00 0.00 175.26 176.27 3hn3 n PRO 408 N -3.34 0.87 -1.28 0.00 -0.02 -1.25 -4.06 135.00 125.92 3hn3 n PRO 408 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 3hn3 n PRO 408 Cb 0.61 -1.06 -0.07 0.00 -0.02 0.00 0.00 33.50 32.95 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 1.35 3.94 3.45 -1.23 0.00 -1.26 -2.70 105.19 108.74 3hn3 n GLY 409 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 3hn3 n GLY 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hn3 s VAL 410 N 1.29 2.62 0.00 1.61 0.11 -1.26 -1.10 120.40 123.67 3hn3 s VAL 410 Ca 0.67 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 3hn3 s VAL 410 Cb 0.23 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 3hn3 s VAL 410 CO -0.05 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 3hn3 n GLY 411 N 0.81 0.44 2.80 6.54 0.00 -1.26 -4.12 105.19 110.39 3hn3 n GLY 411 Ca -0.16 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3hn3 n GLY 411 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hn3 n LEU 412 N 0.00 6.72 -0.00 0.99 4.77 -1.26 -4.56 117.00 123.66 3hn3 n LEU 412 Ca 0.00 -4.19 0.07 0.00 -0.03 0.00 0.00 56.01 51.86 3hn3 n LEU 412 Cb 0.00 -1.64 -0.13 0.00 -2.33 0.00 0.00 43.42 39.31 3hn3 n LEU 412 CO 0.00 1.09 -0.65 0.00 -1.33 0.00 0.00 177.39 176.49 3hn3 n ALA 413 N 5.96 2.50 -2.56 -1.18 0.00 -1.26 -0.80 120.51 123.16 3hn3 n ALA 413 Ca 0.50 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3hn3 n ALA 413 Cb 0.39 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 3hn3 n ALA 413 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hn3 s LEU 414 N -4.90 3.04 0.38 0.00 1.43 -1.26 -4.72 118.68 112.65 3hn3 s LEU 414 Ca -0.07 -0.20 0.18 0.00 -1.03 0.00 0.00 54.13 53.01 3hn3 s LEU 414 Cb 0.12 -1.75 1.10 0.00 0.03 0.00 0.00 46.19 45.69 3hn3 s LEU 414 CO 0.87 0.28 1.74 -0.65 0.23 0.00 0.00 176.35 178.82 3hn3 h PRO 415 N 4.55 0.38 0.00 1.29 0.11 -1.97 -1.76 132.00 134.60 3hn3 h PRO 415 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hn3 h PRO 415 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hn3 h PRO 415 CO 0.52 0.25 0.00 -0.56 -0.21 0.00 0.00 178.00 178.00 3hn3 h GLN 416 N 0.39 0.00 0.00 1.05 3.07 -1.98 -2.69 115.11 114.95 3hn3 h GLN 416 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.38 3hn3 h GLN 416 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.15 3hn3 h GLN 416 CO -0.37 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.74 3hn3 n PHE 417 N -2.76 0.00 -3.43 0.06 3.72 -0.66 -4.35 117.46 110.04 3hn3 n PHE 417 Ca -0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 3hn3 n PHE 417 Cb 0.17 -0.45 -0.04 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 -2.90 3.78 0.07 1.38 0.08 -1.01 -4.76 117.98 114.61 3hn3 s PHE 418 Ca 0.17 -2.33 0.06 0.00 0.12 0.00 0.00 56.93 54.95 3hn3 s PHE 418 Cb 0.19 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 3hn3 s PHE 418 CO 0.51 -0.93 -0.15 0.54 -0.10 0.00 0.00 175.22 175.08 3hn3 s ASN 419 N 1.55 1.84 0.45 1.36 2.20 -1.26 -4.98 114.94 116.10 3hn3 s ASN 419 Ca 0.20 -0.59 0.27 0.00 -0.94 0.00 0.00 52.86 51.81 3hn3 s ASN 419 Cb -0.12 -0.08 1.33 0.00 -2.00 0.00 0.00 41.25 40.38 3hn3 s ASN 419 CO -0.08 -0.02 1.74 -1.13 -2.94 0.00 0.00 177.10 174.67 3hn3 h ASN 420 N 4.41 0.26 -0.31 3.54 -0.00 -1.97 0.30 115.58 121.80 3hn3 h ASN 420 Ca -0.41 0.07 -0.11 0.00 -0.00 0.00 0.00 56.30 55.85 3hn3 h ASN 420 Cb 1.19 0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 39.53 3hn3 h ASN 420 CO 0.41 0.00 -0.22 0.58 -0.00 0.00 0.00 177.43 178.20 3hn3 h VAL 421 N 0.20 1.30 -0.74 2.57 2.07 -1.98 -2.33 116.25 117.34 3hn3 h VAL 421 Ca 0.65 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 3hn3 h VAL 421 Cb 2.04 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 3hn3 h VAL 421 CO -0.23 0.44 0.26 0.28 0.02 0.00 0.00 177.57 178.34 3hn3 h SER 422 N 0.45 1.05 -0.47 0.57 0.02 -0.81 -2.54 113.55 111.82 3hn3 h SER 422 Ca 0.06 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3hn3 h SER 422 Cb 0.77 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3hn3 h SER 422 CO 0.06 0.97 0.24 0.25 -1.14 0.00 0.00 176.83 177.21 3hn3 h LEU 423 N 1.08 0.61 -0.30 5.07 5.85 -0.88 -0.02 115.31 126.72 3hn3 h LEU 423 Ca 0.24 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3hn3 h LEU 423 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3hn3 h LEU 423 CO -0.01 0.55 0.13 -0.74 -0.34 0.00 0.00 178.44 178.03 3hn3 h HIS 424 N 0.62 0.45 -0.75 1.25 2.76 -1.33 -0.78 115.15 117.38 3hn3 h HIS 424 Ca 0.16 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3hn3 h HIS 424 Cb 0.10 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 3hn3 h HIS 424 CO -0.01 0.43 0.45 1.25 -1.30 0.00 0.00 177.93 178.75 3hn3 h HIS 425 N 0.35 0.98 -0.54 5.26 -0.00 -1.27 -1.10 115.15 118.83 3hn3 h HIS 425 Ca 0.10 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 3hn3 h HIS 425 Cb 0.16 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 3hn3 h HIS 425 CO -0.01 0.66 0.19 1.25 -0.00 0.00 0.00 177.93 180.02 3hn3 h HIS 426 N 1.02 0.84 -0.76 5.26 6.17 -0.81 0.13 115.15 127.01 3hn3 h HIS 426 Ca 0.27 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.29 3hn3 h HIS 426 Cb -0.04 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.60 3hn3 h HIS 426 CO -0.01 0.70 0.50 0.52 0.71 0.00 0.00 177.93 180.35 3hn3 h MET 427 N 0.74 0.98 -0.64 5.26 2.86 -0.85 0.19 114.93 123.46 3hn3 h MET 427 Ca 0.18 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3hn3 h MET 427 Cb 0.24 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hn3 h MET 427 CO -0.01 0.65 0.11 1.96 1.06 0.00 0.00 176.91 180.68 3hn3 h GLN 428 N 1.01 1.05 -0.44 1.72 4.20 -0.60 -1.65 115.11 120.40 3hn3 h GLN 428 Ca 0.29 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hn3 h GLN 428 Cb -0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3hn3 h GLN 428 CO -0.07 0.97 0.18 0.28 -0.67 0.00 0.00 178.83 179.51 3hn3 h VAL 429 N 0.97 1.20 -0.86 -0.54 2.07 -0.27 -1.37 116.25 117.46 3hn3 h VAL 429 Ca 0.20 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hn3 h VAL 429 Cb 0.42 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3hn3 h VAL 429 CO 0.01 0.23 0.53 0.24 0.02 0.00 0.00 177.57 178.60 3hn3 h MET 430 N 0.57 1.16 -0.80 1.57 2.86 -0.83 -0.80 114.93 118.66 3hn3 h MET 430 Ca 0.15 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3hn3 h MET 430 Cb 0.19 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 3hn3 h MET 430 CO -0.01 0.81 0.49 0.93 1.06 0.00 0.00 176.91 180.18 3hn3 h GLU 431 N 1.18 0.87 -0.57 1.72 5.08 -0.73 0.10 114.58 122.23 3hn3 h GLU 431 Ca 0.31 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3hn3 h GLU 431 Cb -0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3hn3 h GLU 431 CO -0.06 0.58 0.11 0.93 -1.00 0.00 0.00 179.01 179.56 3hn3 h GLU 432 N 0.90 0.94 0.08 2.33 5.08 -0.58 -0.19 114.58 123.14 3hn3 h GLU 432 Ca 0.35 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hn3 h GLU 432 Cb 0.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hn3 h GLU 432 CO -0.17 0.89 -0.04 0.28 -1.00 0.00 0.00 179.01 178.97 3hn3 h VAL 433 N 0.84 1.02 -0.36 3.13 2.07 -0.59 -1.35 116.25 121.02 3hn3 h VAL 433 Ca 0.18 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hn3 h VAL 433 Cb 0.40 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3hn3 h VAL 433 CO 0.01 0.09 0.23 0.58 0.02 0.00 0.00 177.57 178.50 3hn3 h VAL 434 N -0.27 1.09 -0.78 2.57 2.07 -0.80 -1.40 116.25 118.74 3hn3 h VAL 434 Ca -0.01 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3hn3 h VAL 434 Cb 0.23 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3hn3 h VAL 434 CO 0.02 0.09 0.42 -0.09 0.02 0.00 0.00 177.57 178.02 3hn3 h ARG 435 N 0.48 0.67 -0.16 1.57 2.43 -0.96 0.14 114.38 118.54 3hn3 h ARG 435 Ca 0.13 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.04 3hn3 h ARG 435 Cb -0.05 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 3hn3 h ARG 435 CO -0.03 0.44 -0.75 -0.09 -1.51 0.00 0.00 179.97 178.03 3hn3 h ARG 436 N 0.69 0.77 -0.02 0.20 2.43 -0.86 -3.37 114.38 114.22 3hn3 h ARG 436 Ca 0.38 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3hn3 h ARG 436 Cb 0.39 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3hn3 h ARG 436 CO -0.27 1.22 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 3hn3 n ASP 437 N -3.93 1.58 0.11 -3.80 8.00 -0.56 -4.71 116.55 113.24 3hn3 n ASP 437 Ca -0.07 -1.30 0.20 0.00 0.71 0.00 0.00 54.79 54.33 3hn3 n ASP 437 Cb 0.73 -0.00 0.74 0.00 -0.02 0.00 0.00 41.12 42.56 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 1.29 0.00 -0.33 -1.24 2.10 -0.90 -2.35 116.57 115.13 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 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 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 -3.58 3.11 -4.61 7.07 3.02 -1.26 -4.87 115.26 114.14 3hn3 n ASN 439 Ca 0.07 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.25 3hn3 n ASN 439 Cb 0.63 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 3hn3 n ASN 439 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hn3 s HIS 440 N -1.58 3.13 0.54 3.10 3.76 -0.89 -4.84 115.29 118.51 3hn3 s HIS 440 Ca 0.37 0.78 0.24 0.00 -0.15 0.00 0.00 55.06 56.30 3hn3 s HIS 440 Cb 0.22 -3.48 1.54 0.00 1.11 0.00 0.00 32.58 31.97 3hn3 s HIS 440 CO 0.31 -0.73 2.19 -1.00 -0.85 0.00 0.00 174.74 174.66 3hn3 h PRO 441 N 8.33 0.00 0.00 8.40 0.13 -1.90 -2.32 132.00 144.64 3hn3 h PRO 441 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 3hn3 h PRO 441 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3hn3 h PRO 441 CO 0.94 0.02 -0.27 0.00 -0.23 0.00 0.00 178.00 178.47 3hn3 h ALA 442 N 1.98 1.23 -2.05 -0.56 0.00 -1.88 -3.41 119.26 114.57 3hn3 h ALA 442 Ca -0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 3hn3 h ALA 442 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3hn3 h ALA 442 CO 0.00 0.34 0.89 0.08 0.00 0.00 0.00 179.25 180.56 3hn3 s VAL 443 N -4.01 4.38 -0.46 0.00 1.01 -0.87 -0.18 120.40 120.25 3hn3 s VAL 443 Ca -0.02 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.66 3hn3 s VAL 443 Cb 0.13 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3hn3 s VAL 443 CO 0.66 -0.29 0.39 1.33 0.00 0.00 0.00 175.10 177.19 3hn3 n VAL 444 N 5.65 0.00 -3.58 2.92 0.24 -0.40 -4.90 118.33 118.26 3hn3 n VAL 444 Ca 0.13 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 3hn3 n VAL 444 Cb 0.46 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.51 0.83 -0.09 7.34 1.75 -1.21 -4.16 119.30 122.24 3hn3 s MET 445 Ca 0.04 0.50 -0.10 0.00 -1.25 0.00 0.00 55.69 54.88 3hn3 s MET 445 Cb 0.06 0.40 -0.05 0.00 2.84 0.00 0.00 34.83 38.08 3hn3 s MET 445 CO 0.27 -0.20 0.24 -1.58 -0.65 0.00 0.00 175.02 173.09 3hn3 s TRP 446 N -0.51 3.61 -0.16 4.11 0.52 -0.71 -0.93 118.94 124.87 3hn3 s TRP 446 Ca -0.04 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.75 3hn3 s TRP 446 Cb -0.02 -2.10 0.00 0.00 -1.15 0.00 0.00 33.47 30.20 3hn3 s TRP 446 CO 0.04 0.63 -0.16 0.45 0.02 0.00 0.00 176.95 177.93 3hn3 s SER 447 N -0.81 3.60 0.04 2.95 0.15 -0.46 -0.36 113.70 118.81 3hn3 s SER 447 Ca 0.17 -0.50 0.24 0.00 0.70 0.00 0.00 55.95 56.56 3hn3 s SER 447 Cb -0.13 -1.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.82 3hn3 s SER 447 CO 0.06 0.07 1.17 1.33 1.20 0.00 0.00 173.24 177.07 3hn3 n VAL 448 N 4.18 0.14 -3.57 4.45 0.24 -0.48 -1.75 118.33 121.54 3hn3 n VAL 448 Ca -0.19 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 61.86 3hn3 n VAL 448 Cb 0.51 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.09 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 -3.12 -1.68 -0.11 2.33 0.00 -1.26 -4.26 121.76 113.66 3hn3 s ALA 449 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3hn3 s ALA 449 Cb 0.15 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.91 3hn3 s ALA 449 CO 0.77 -0.81 -0.08 1.21 0.00 0.00 0.00 175.76 176.84 3hn3 s ASN 450 N -2.68 2.11 -1.37 0.00 2.47 -0.26 -0.99 114.94 114.22 3hn3 s ASN 450 Ca 0.06 -0.30 -0.04 0.00 0.42 0.00 0.00 52.86 53.00 3hn3 s ASN 450 Cb -0.02 -0.84 0.00 0.00 -1.45 0.00 0.00 41.25 38.94 3hn3 s ASN 450 CO -0.06 -0.09 0.46 -0.62 -3.72 0.00 0.00 177.10 173.07 3hn3 n GLU 451 N 4.75 -2.86 -1.36 0.43 1.02 0.17 -4.00 120.64 118.79 3hn3 n GLU 451 Ca -0.14 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.08 3hn3 n GLU 451 Cb 0.50 -4.39 0.09 0.00 -0.02 0.00 0.00 31.44 27.63 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 -6.52 2.19 -0.92 3.49 0.04 -1.26 -4.54 135.00 127.49 3hn3 s PRO 452 Ca 0.08 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 3hn3 s PRO 452 Cb -0.03 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 3hn3 s PRO 452 CO 0.89 -1.64 2.03 0.00 0.04 0.00 0.00 177.00 178.33 3hn3 n ALA 453 N -3.49 4.03 1.65 8.56 0.00 0.02 -4.69 120.51 126.59 3hn3 n ALA 453 Ca 0.08 -3.10 0.15 0.00 0.00 0.00 0.00 53.44 50.57 3hn3 n ALA 453 Cb 0.54 -3.48 0.78 0.00 0.00 0.00 0.00 19.45 17.29 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 6.47 0.24 0.30 0.00 3.41 -1.26 -1.99 113.62 120.79 3hn3 n SER 454 Ca 0.50 -0.70 0.19 0.00 -0.26 0.00 0.00 58.87 58.60 3hn3 n SER 454 Cb 0.34 -0.10 0.89 0.00 -0.26 0.00 0.00 64.21 65.08 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 0.34 0.00 -3.66 7.33 2.07 -1.84 0.36 115.15 119.76 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 0.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.17 3hn3 h HIS 455 CO 0.00 0.01 0.37 -0.51 -3.07 0.00 0.00 177.93 174.73 3hn3 s LEU 456 N -6.25 4.57 0.21 6.12 1.43 -0.84 -4.73 118.68 119.18 3hn3 s LEU 456 Ca -0.01 1.91 -0.08 0.00 -1.03 0.00 0.00 54.13 54.92 3hn3 s LEU 456 Cb 0.11 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.87 3hn3 s LEU 456 CO 0.50 0.01 1.75 -0.33 0.23 0.00 0.00 176.35 178.51 3hn3 h GLU 457 N 4.85 1.16 -0.95 1.70 4.39 -1.89 -1.11 114.58 122.73 3hn3 h GLU 457 Ca -0.44 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.04 3hn3 h GLU 457 Cb 1.21 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 3hn3 h GLU 457 CO 0.70 0.99 0.62 0.66 -1.16 0.00 0.00 179.01 180.82 3hn3 h SER 458 N 1.11 1.04 -0.51 1.42 4.64 -1.95 -2.30 113.55 117.00 3hn3 h SER 458 Ca 0.24 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 3hn3 h SER 458 Cb 0.31 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3hn3 h SER 458 CO -0.01 0.72 -0.14 0.00 -0.87 0.00 0.00 176.83 176.54 3hn3 h ALA 459 N 1.44 0.76 -0.55 5.18 0.00 -1.65 -1.69 119.26 122.75 3hn3 h ALA 459 Ca 0.37 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hn3 h ALA 459 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3hn3 h ALA 459 CO -0.11 0.67 0.33 0.78 0.00 0.00 0.00 179.25 180.92 3hn3 h GLY 460 N 0.92 0.79 0.72 0.00 0.00 -0.80 0.44 103.07 105.15 3hn3 h GLY 460 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3hn3 h GLY 460 CO 0.05 0.20 -0.03 -1.82 0.00 0.00 0.00 176.54 174.94 3hn3 h TYR 461 N 0.64 -0.07 -0.57 5.60 3.20 -1.36 -0.69 116.97 123.72 3hn3 h TYR 461 Ca 0.23 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.21 3hn3 h TYR 461 Cb 0.05 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.23 3hn3 h TYR 461 CO -0.07 0.22 -0.20 -0.92 -1.64 0.00 0.00 178.16 175.55 3hn3 h TYR 462 N -0.36 -0.47 -0.48 -3.82 5.03 -1.15 -0.62 116.97 115.11 3hn3 h TYR 462 Ca -0.01 0.06 -0.13 0.00 2.58 0.00 0.00 58.73 61.23 3hn3 h TYR 462 Cb 0.32 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 3hn3 h TYR 462 CO 0.02 -0.29 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.29 3hn3 h LEU 463 N -0.06 1.00 -0.50 2.82 3.38 -0.86 -1.29 115.31 119.80 3hn3 h LEU 463 Ca 0.27 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3hn3 h LEU 463 Cb 0.47 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3hn3 h LEU 463 CO -0.61 1.16 0.03 0.50 0.09 0.00 0.00 178.44 179.61 3hn3 h LYS 464 N 0.84 0.15 -0.11 1.13 3.64 -0.25 -0.35 116.57 121.63 3hn3 h LYS 464 Ca 0.11 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.25 3hn3 h LYS 464 Cb 0.78 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3hn3 h LYS 464 CO 0.06 0.10 -0.86 0.52 -2.27 0.00 0.00 179.45 177.01 3hn3 h MET 465 N 0.15 0.76 -0.60 1.90 2.86 -0.88 -0.16 114.93 118.96 3hn3 h MET 465 Ca 0.25 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3hn3 h MET 465 Cb 0.37 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3hn3 h MET 465 CO -0.39 1.27 0.40 0.28 1.06 0.00 0.00 176.91 179.53 3hn3 h VAL 466 N 0.49 1.16 -0.09 -2.22 2.07 -1.05 0.64 116.25 117.25 3hn3 h VAL 466 Ca -0.08 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3hn3 h VAL 466 Cb 1.49 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hn3 h VAL 466 CO 0.17 0.15 0.00 0.40 0.02 0.00 0.00 177.57 178.32 3hn3 h ILE 467 N 0.82 1.24 -0.70 4.57 2.04 -1.03 -1.44 117.51 123.01 3hn3 h ILE 467 Ca 0.22 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.37 3hn3 h ILE 467 Cb -0.09 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3hn3 h ILE 467 CO -0.05 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.73 3hn3 h ALA 468 N 0.74 0.95 -0.46 1.87 0.00 -0.90 -0.40 119.26 121.06 3hn3 h ALA 468 Ca 0.03 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hn3 h ALA 468 Cb 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3hn3 h ALA 468 CO 0.00 0.11 0.19 1.25 0.00 0.00 0.00 179.25 180.80 3hn3 h HIS 469 N 0.75 0.34 0.08 0.00 -0.00 -0.71 -1.32 115.15 114.29 3hn3 h HIS 469 Ca 0.31 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.70 3hn3 h HIS 469 Cb 0.17 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3hn3 h HIS 469 CO -0.07 0.14 -0.04 1.15 -0.00 0.00 0.00 177.93 179.12 3hn3 h THR 470 N 0.38 0.98 -0.96 6.26 2.02 -0.59 -1.95 112.91 119.05 3hn3 h THR 470 Ca 0.21 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 67.34 3hn3 h THR 470 Cb 0.18 1.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 3hn3 h THR 470 CO -0.19 0.05 0.61 0.11 0.37 0.00 0.00 175.52 176.47 3hn3 h LYS 471 N -0.20 0.77 -0.09 6.66 1.57 -0.81 -0.90 116.57 123.57 3hn3 h LYS 471 Ca -0.01 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3hn3 h LYS 471 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hn3 h LYS 471 CO 0.02 0.51 -0.51 0.66 -0.57 0.00 0.00 179.45 179.56 3hn3 h SER 472 N 0.79 0.26 -0.35 0.86 4.64 -0.79 -3.06 113.55 115.90 3hn3 h SER 472 Ca 0.51 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3hn3 h SER 472 Cb 0.73 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3hn3 h SER 472 CO -0.27 0.72 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.16 3hn3 h LEU 473 N 0.19 0.77 -7.30 5.97 3.38 -0.45 -3.42 115.31 114.45 3hn3 h LEU 473 Ca 0.01 -0.41 -0.57 0.00 0.09 0.00 0.00 57.88 56.99 3hn3 h LEU 473 Cb 0.97 -0.21 -0.40 0.00 0.09 0.00 0.00 40.66 41.11 3hn3 h LEU 473 CO 0.08 1.01 -0.76 -0.62 0.09 0.00 0.00 178.44 178.24 3hn3 s ASP 474 N -6.46 3.70 0.00 -0.43 2.15 -0.58 -4.99 116.67 110.06 3hn3 s ASP 474 Ca -0.12 -1.34 0.17 0.00 0.43 0.00 0.00 52.55 51.69 3hn3 s ASP 474 Cb 0.10 -0.87 0.77 0.00 -0.30 0.00 0.00 42.92 42.61 3hn3 s ASP 474 CO 0.82 -0.35 1.55 -0.81 -0.17 0.00 0.00 175.17 176.21 3hn3 n PRO 475 N 4.85 0.05 0.00 4.34 -0.04 -1.24 -4.16 135.00 138.80 3hn3 n PRO 475 Ca -0.06 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 3hn3 n PRO 475 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.46 0.85 -4.14 3.54 3.41 -1.26 -4.95 113.62 109.61 3hn3 n SER 476 Ca 0.05 -0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 57.72 3hn3 n SER 476 Cb 0.19 0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 64.82 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 -3.00 0.75 0.74 4.33 0.52 -1.26 -4.58 118.95 116.44 3hn3 s ARG 477 Ca 0.09 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.24 3hn3 s ARG 477 Cb 0.16 -0.61 0.04 0.00 0.52 0.00 0.00 34.95 35.06 3hn3 s ARG 477 CO 0.82 0.12 1.08 -1.25 0.02 0.00 0.00 175.30 176.09 3hn3 s PRO 478 N -1.96 2.54 0.00 3.54 0.04 -1.26 -4.90 135.00 133.00 3hn3 s PRO 478 Ca -0.02 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.09 3hn3 s PRO 478 Cb -0.08 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3hn3 s PRO 478 CO 0.01 -1.40 -0.17 0.08 0.04 0.00 0.00 177.00 175.57 3hn3 s VAL 479 N -2.99 1.31 0.30 -0.36 1.01 -1.26 -1.75 120.40 116.66 3hn3 s VAL 479 Ca 0.60 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3hn3 s VAL 479 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3hn3 s VAL 479 CO 0.55 0.29 0.24 0.28 0.00 0.00 0.00 175.10 176.46 3hn3 s THR 480 N -0.51 0.01 0.06 3.92 -1.32 0.52 -1.47 115.64 116.85 3hn3 s THR 480 Ca 0.06 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 58.54 3hn3 s THR 480 Cb -0.07 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 3hn3 s THR 480 CO -0.00 0.00 -0.04 0.72 -2.21 0.00 0.00 174.62 173.09 3hn3 s PHE 481 N -3.64 0.62 -0.22 9.09 -0.71 -1.26 -1.39 117.98 120.48 3hn3 s PHE 481 Ca 0.40 -0.98 -0.10 0.00 -1.04 0.00 0.00 56.93 55.21 3hn3 s PHE 481 Cb 0.04 -0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 3hn3 s PHE 481 CO 0.23 -0.30 0.14 0.08 -1.34 0.00 0.00 175.22 174.04 3hn3 s VAL 482 N -3.64 5.34 0.04 -2.49 1.01 -0.16 -4.16 120.40 116.34 3hn3 s VAL 482 Ca 0.07 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.31 3hn3 s VAL 482 Cb 0.06 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3hn3 s VAL 482 CO -0.08 0.40 -0.26 -0.55 0.00 0.00 0.00 175.10 174.61 3hn3 s SER 483 N 0.67 3.18 -0.12 3.32 0.15 -0.12 0.44 113.70 121.21 3hn3 s SER 483 Ca 0.07 -0.57 0.16 0.00 0.70 0.00 0.00 55.95 56.31 3hn3 s SER 483 Cb -0.12 -0.31 0.31 0.00 -1.71 0.00 0.00 66.02 64.19 3hn3 s SER 483 CO 0.01 0.27 1.20 -0.46 1.20 0.00 0.00 173.24 175.45 3hn3 n ASN 484 N 1.83 2.68 -4.81 5.45 6.94 -1.26 -1.33 115.26 124.76 3hn3 n ASN 484 Ca -0.17 -2.89 -0.31 0.00 -0.02 0.00 0.00 54.58 51.19 3hn3 n ASN 484 Cb 0.52 -0.39 0.07 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.35 5.02 0.26 0.53 0.01 -1.26 -5.02 113.70 110.89 3hn3 s SER 485 Ca 0.30 1.51 -0.30 0.00 1.31 0.00 0.00 55.95 58.78 3hn3 s SER 485 Cb 0.25 -2.33 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 3hn3 s SER 485 CO 0.04 -1.66 1.10 0.21 0.41 0.00 0.00 173.24 173.35 3hn3 s ASN 486 N -3.82 7.27 0.43 2.44 3.84 -1.26 -4.93 114.94 118.91 3hn3 s ASN 486 Ca 0.59 2.24 0.16 0.00 0.21 0.00 0.00 52.86 56.06 3hn3 s ASN 486 Cb -0.14 -2.62 1.06 0.00 -0.55 0.00 0.00 41.25 38.99 3hn3 s ASN 486 CO 0.55 -0.15 1.91 0.10 -2.79 0.00 0.00 177.10 176.72 3hn3 h TYR 487 N 4.04 0.49 0.00 0.43 -0.00 -1.97 -0.96 116.97 119.01 3hn3 h TYR 487 Ca -0.46 0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.19 3hn3 h TYR 487 Cb 1.21 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 37.77 3hn3 h TYR 487 CO 0.59 0.18 -0.45 0.00 -0.00 0.00 0.00 178.16 178.48 3hn3 h ALA 488 N 1.64 0.76 0.00 0.10 0.00 -1.96 -3.34 119.26 116.47 3hn3 h ALA 488 Ca 0.38 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hn3 h ALA 488 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hn3 h ALA 488 CO -0.12 0.56 -1.41 0.00 0.00 0.00 0.00 179.25 178.27 3hn3 n ALA 489 N -2.23 3.20 -2.16 0.00 0.00 -0.41 -4.92 120.51 113.99 3hn3 n ALA 489 Ca 0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3hn3 n ALA 489 Cb 0.67 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 -4.27 6.00 0.14 0.00 -1.08 -0.89 -4.12 116.67 112.45 3hn3 s ASP 490 Ca -0.01 0.96 0.25 0.00 -0.52 0.00 0.00 52.55 53.23 3hn3 s ASP 490 Cb 0.14 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.61 3hn3 s ASP 490 CO 0.85 -1.68 1.50 0.29 0.52 0.00 0.00 175.17 176.65 3hn3 n LYS 491 N 8.40 0.26 0.09 4.34 4.76 0.13 -3.57 118.16 132.57 3hn3 n LYS 491 Ca 0.20 0.12 0.03 0.00 -2.87 0.00 0.00 58.31 55.79 3hn3 n LYS 491 Cb 0.48 -1.71 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 3hn3 n LYS 491 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3hn3 h GLY 492 N 4.56 0.00 1.41 0.72 0.00 -1.83 -3.41 103.07 104.51 3hn3 h GLY 492 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3hn3 h GLY 492 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 176.54 176.82 3hn3 h ALA 493 N 1.58 1.95 -0.07 3.60 0.00 -1.91 -1.81 119.26 122.60 3hn3 h ALA 493 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hn3 h ALA 493 Cb 1.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hn3 h ALA 493 CO 0.04 -0.02 0.07 -1.35 0.00 0.00 0.00 179.25 177.99 3hn3 h PRO 494 N 0.34 0.00 -0.00 0.00 0.11 -1.81 -3.10 132.00 127.54 3hn3 h PRO 494 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3hn3 h PRO 494 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3hn3 h PRO 494 CO -0.04 0.00 -0.41 0.66 -0.21 0.00 0.00 178.00 178.00 3hn3 n TYR 495 N -4.04 0.00 -3.17 0.65 4.01 -0.68 -4.91 117.16 109.01 3hn3 n TYR 495 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 3hn3 n TYR 495 Cb 0.17 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.72 4.63 0.15 -0.72 -7.23 -1.17 -4.94 120.40 108.39 3hn3 s VAL 496 Ca 0.18 1.29 0.01 0.00 -1.81 0.00 0.00 61.98 61.65 3hn3 s VAL 496 Cb 0.18 -3.92 -0.16 0.00 0.56 0.00 0.00 36.38 33.04 3hn3 s VAL 496 CO 0.62 0.42 1.35 0.44 -0.31 0.00 0.00 175.10 177.61 3hn3 h ASP 497 N 4.07 0.31 -3.67 4.85 3.32 -1.61 -3.44 116.42 120.25 3hn3 h ASP 497 Ca -0.48 -0.26 -0.46 0.00 0.02 0.00 0.00 57.03 55.85 3hn3 h ASP 497 Cb 1.20 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 3hn3 h ASP 497 CO 0.65 1.07 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.75 3hn3 s VAL 498 N -3.18 0.88 -0.16 -1.35 1.01 -1.26 -4.50 120.40 111.84 3hn3 s VAL 498 Ca -0.03 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 3hn3 s VAL 498 Cb 0.10 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 3hn3 s VAL 498 CO 0.84 0.28 0.72 -0.63 0.00 0.00 0.00 175.10 176.31 3hn3 s ILE 499 N 0.40 4.97 -0.19 2.22 1.01 -0.43 -4.64 121.20 124.54 3hn3 s ILE 499 Ca -0.07 1.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.99 3hn3 s ILE 499 Cb -0.11 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3hn3 s ILE 499 CO 0.01 0.11 -0.16 0.00 0.00 0.00 0.00 174.94 174.90 3hn3 s LEU 501 N 1.34 2.37 -0.24 0.00 1.43 -0.41 -0.94 118.68 122.23 3hn3 s LEU 501 Ca 0.05 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3hn3 s LEU 501 Cb -0.13 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3hn3 s LEU 501 CO -0.10 0.12 0.26 0.20 0.23 0.00 0.00 176.35 177.05 3hn3 s ASN 502 N 0.61 6.21 -0.06 2.29 0.01 -0.44 -1.10 114.94 122.46 3hn3 s ASN 502 Ca -0.10 0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 52.12 3hn3 s ASN 502 Cb -0.16 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.38 3hn3 s ASN 502 CO 0.03 -0.02 0.37 -0.94 -1.51 0.00 0.00 177.10 175.03 3hn3 s SER 503 N 1.19 -0.30 -0.38 -1.22 1.04 -0.95 -4.61 113.70 108.47 3hn3 s SER 503 Ca 0.12 0.36 0.11 0.00 0.48 0.00 0.00 55.95 57.02 3hn3 s SER 503 Cb -0.14 0.48 0.35 0.00 0.10 0.00 0.00 66.02 66.81 3hn3 s SER 503 CO 0.07 -0.37 0.74 -1.22 0.98 0.00 0.00 173.24 173.44 3hn3 n TYR 504 N 1.73 0.40 -1.90 5.02 4.02 -1.26 -4.00 117.16 121.17 3hn3 n TYR 504 Ca -0.19 -3.83 -0.41 0.00 -0.01 0.00 0.00 57.90 53.47 3hn3 n TYR 504 Cb 0.56 -0.42 -0.01 0.00 -0.02 0.00 0.00 39.34 39.45 3hn3 n TYR 504 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hn3 s TYR 505 N -2.46 2.78 0.00 -0.72 2.02 -1.26 -1.41 117.35 116.29 3hn3 s TYR 505 Ca 0.40 1.15 0.00 0.00 -0.37 0.00 0.00 57.07 58.25 3hn3 s TYR 505 Cb 0.34 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 3hn3 s TYR 505 CO -0.08 -2.78 0.00 -1.13 -1.57 0.00 0.00 175.55 169.99 3hn3 n SER 506 N 1.05 0.00 -0.05 2.29 3.41 -0.96 -4.80 113.62 114.56 3hn3 n SER 506 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 3hn3 n SER 506 Cb 0.40 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.97 0.00 1.16 7.33 -0.00 -0.50 -1.39 117.44 122.07 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 -0.35 0.48 0.00 -0.00 0.00 0.00 31.31 31.44 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 -4.06 0.00 -3.68 5.87 4.01 -0.76 -4.76 117.16 113.78 3hn3 n TYR 508 Ca -0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 3hn3 n TYR 508 Cb 0.36 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.78 -0.19 -1.27 -0.72 -3.43 -1.26 -4.96 115.29 100.68 3hn3 s HIS 509 Ca 0.19 -0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.20 3hn3 s HIS 509 Cb 0.19 0.41 -0.00 0.00 -1.43 0.00 0.00 32.58 31.75 3hn3 s HIS 509 CO 0.57 -0.89 0.61 -0.25 -2.00 0.00 0.00 174.74 172.78 3hn3 n ASP 510 N -0.34 -2.82 -4.70 7.38 8.00 -1.26 -2.25 116.55 120.56 3hn3 n ASP 510 Ca -0.12 -1.02 -0.54 0.00 0.71 0.00 0.00 54.79 53.82 3hn3 n ASP 510 Cb 0.63 -3.16 -0.06 0.00 -0.02 0.00 0.00 41.12 38.51 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 -4.34 2.16 0.00 1.24 4.01 -1.26 -1.24 117.16 117.73 3hn3 n TYR 511 Ca -0.20 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3hn3 n TYR 511 Cb 0.64 -2.54 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 4.32 1.36 2.89 2.72 0.00 -0.48 -4.97 105.19 111.02 3hn3 n GLY 512 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 3.32 0.19 1.61 8.25 -0.37 -4.74 115.22 121.48 3hn3 n HIS 513 Ca 0.00 -2.89 0.13 0.00 -0.26 0.00 0.00 57.72 54.70 3hn3 n HIS 513 Cb 0.00 -2.18 0.70 0.00 1.12 0.00 0.00 29.99 29.63 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 8.84 0.00 -0.28 2.41 3.38 -1.90 -2.24 115.31 125.53 3hn3 h LEU 514 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3hn3 h LEU 514 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hn3 h LEU 514 CO 1.68 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 178.37 3hn3 n GLU 515 N -4.35 0.06 0.02 1.13 0.00 -1.26 -2.55 120.64 113.69 3hn3 n GLU 515 Ca 0.01 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.65 3hn3 n GLU 515 Cb 0.24 -1.62 0.10 0.00 0.00 0.00 0.00 31.44 30.16 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 -1.73 0.64 -0.03 -1.84 4.77 -0.84 -4.61 117.00 113.35 3hn3 n LEU 516 Ca 0.02 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 3hn3 n LEU 516 Cb 0.14 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3hn3 n LEU 516 CO 0.12 0.09 0.76 0.40 -1.33 0.00 0.00 177.39 177.43 3hn3 h ILE 517 N 0.00 1.23 -0.78 -0.08 2.04 -1.66 -1.41 117.51 116.85 3hn3 h ILE 517 Ca 0.00 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3hn3 h ILE 517 Cb 0.62 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3hn3 h ILE 517 CO 0.00 0.21 0.42 1.56 0.00 0.00 0.00 178.15 180.34 3hn3 h GLN 518 N -0.04 1.10 0.08 2.37 4.20 -1.81 -1.05 115.11 119.96 3hn3 h GLN 518 Ca 0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3hn3 h GLN 518 Cb 0.32 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hn3 h GLN 518 CO 0.00 0.82 -0.04 1.25 -0.67 0.00 0.00 178.83 180.20 3hn3 h LEU 519 N 1.09 -0.10 -1.18 1.46 5.85 -1.81 -1.04 115.31 119.59 3hn3 h LEU 519 Ca 0.27 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3hn3 h LEU 519 Cb 0.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hn3 h LEU 519 CO -0.04 0.07 -0.27 1.56 -0.34 0.00 0.00 178.44 179.42 3hn3 h GLN 520 N -0.26 0.23 -0.30 1.25 4.20 -1.13 -1.37 115.11 117.74 3hn3 h GLN 520 Ca -0.01 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3hn3 h GLN 520 Cb 0.22 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hn3 h GLN 520 CO 0.02 0.49 -0.45 1.25 -0.67 0.00 0.00 178.83 179.47 3hn3 h LEU 521 N 0.21 0.91 -0.38 1.46 5.85 -1.11 -0.98 115.31 121.27 3hn3 h LEU 521 Ca 0.03 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hn3 h LEU 521 Cb 0.59 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hn3 h LEU 521 CO 0.04 1.24 0.25 0.00 -0.34 0.00 0.00 178.44 179.63 3hn3 h ALA 522 N 0.69 0.48 -0.66 1.25 0.00 -0.85 -0.81 119.26 119.36 3hn3 h ALA 522 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hn3 h ALA 522 Cb 1.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hn3 h ALA 522 CO 0.10 -0.07 0.39 1.15 0.00 0.00 0.00 179.25 180.82 3hn3 h THR 523 N 0.51 1.20 0.18 0.00 2.02 -1.22 -1.03 112.91 114.55 3hn3 h THR 523 Ca 0.14 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hn3 h THR 523 Cb -0.05 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3hn3 h THR 523 CO -0.03 0.21 -0.34 -0.61 0.37 0.00 0.00 175.52 175.11 3hn3 h GLN 524 N 0.89 -0.58 -0.37 6.66 4.15 -0.64 -0.12 115.11 125.11 3hn3 h GLN 524 Ca 0.23 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 3hn3 h GLN 524 Cb -0.01 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3hn3 h GLN 524 CO -0.04 -0.39 0.02 0.74 -1.93 0.00 0.00 178.83 177.23 3hn3 h PHE 525 N -0.60 0.69 0.19 3.99 0.04 -1.01 -1.03 116.94 119.20 3hn3 h PHE 525 Ca 0.02 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3hn3 h PHE 525 Cb 0.61 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3hn3 h PHE 525 CO -0.27 0.71 -0.12 0.93 -0.60 0.00 0.00 178.31 178.95 3hn3 h GLU 526 N 0.46 -0.30 -0.11 1.51 5.08 -1.06 -0.79 114.58 119.38 3hn3 h GLU 526 Ca 0.11 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3hn3 h GLU 526 Cb 0.42 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3hn3 h GLU 526 CO 0.01 -0.20 -0.11 -0.91 -1.00 0.00 0.00 179.01 176.81 3hn3 h ASN 527 N -0.31 -0.33 -0.49 1.42 2.35 -0.93 -0.08 115.58 117.21 3hn3 h ASN 527 Ca -0.01 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3hn3 h ASN 527 Cb 0.26 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3hn3 h ASN 527 CO 0.01 -0.14 0.03 -0.50 -1.65 0.00 0.00 177.43 175.17 3hn3 h TRP 528 N -0.13 0.92 -0.15 1.19 4.06 -1.10 -2.43 115.95 118.31 3hn3 h TRP 528 Ca 0.08 -0.15 -0.21 0.00 2.06 0.00 0.00 58.89 60.67 3hn3 h TRP 528 Cb 0.24 -0.24 0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3hn3 h TRP 528 CO -0.22 0.86 -0.74 -0.92 -3.56 0.00 0.00 178.44 173.86 3hn3 h TYR 529 N 0.72 0.95 -0.87 0.49 3.20 -1.04 -2.29 116.97 118.12 3hn3 h TYR 529 Ca 0.14 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3hn3 h TYR 529 Cb 0.47 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3hn3 h TYR 529 CO 0.04 1.22 0.55 -0.22 -1.64 0.00 0.00 178.16 178.11 3hn3 h LYS 530 N 0.49 1.16 -0.11 1.82 3.64 -0.98 0.20 116.57 122.80 3hn3 h LYS 530 Ca -0.04 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.06 3hn3 h LYS 530 Cb 1.36 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3hn3 h LYS 530 CO 0.15 0.79 -0.73 -0.22 -2.27 0.00 0.00 179.45 177.17 3hn3 h LYS 531 N 1.19 0.53 0.00 1.90 3.64 -1.36 -3.41 116.57 119.06 3hn3 h LYS 531 Ca 0.32 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3hn3 h LYS 531 Cb -0.09 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3hn3 h LYS 531 CO -0.06 1.05 -1.01 0.66 -2.27 0.00 0.00 179.45 177.82 3hn3 n TYR 532 N -3.87 0.00 -4.00 1.91 4.01 -0.87 -5.05 117.16 109.29 3hn3 n TYR 532 Ca -0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.40 3hn3 n TYR 532 Cb 0.71 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 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 -1.68 -3.93 -4.19 -0.72 6.02 0.67 -4.98 117.38 108.57 3hn3 n GLN 533 Ca -0.00 0.46 -0.19 0.00 -0.01 0.00 0.00 57.00 57.26 3hn3 n GLN 533 Cb 0.18 -4.98 -0.12 0.00 1.02 0.00 0.00 30.24 26.35 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 -6.61 0.84 0.72 -1.09 1.02 -1.25 -4.72 119.74 108.65 3hn3 s LYS 534 Ca 0.36 -0.95 -0.16 0.00 0.02 0.00 0.00 55.97 55.25 3hn3 s LYS 534 Cb -0.19 -0.86 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 3hn3 s LYS 534 CO 0.88 0.19 1.26 -2.14 -0.92 0.00 0.00 175.35 174.62 3hn3 s PRO 535 N -1.70 2.12 -0.04 -1.68 0.02 -1.21 -4.74 135.00 127.77 3hn3 s PRO 535 Ca -0.01 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.00 3hn3 s PRO 535 Cb -0.10 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3hn3 s PRO 535 CO 0.02 -1.90 -0.19 0.42 -0.33 0.00 0.00 177.00 175.03 3hn3 s ILE 536 N -1.72 1.55 -0.12 2.83 1.01 -0.52 -1.32 121.20 122.91 3hn3 s ILE 536 Ca 0.79 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3hn3 s ILE 536 Cb -0.34 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3hn3 s ILE 536 CO 0.45 0.44 -0.15 -0.63 0.00 0.00 0.00 174.94 175.05 3hn3 s ILE 537 N -0.15 2.89 -0.86 2.92 1.01 0.23 -0.24 121.20 127.00 3hn3 s ILE 537 Ca -0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3hn3 s ILE 537 Cb -0.10 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3hn3 s ILE 537 CO 0.01 0.53 1.41 -1.58 0.00 0.00 0.00 174.94 175.31 3hn3 s GLN 538 N 0.26 3.31 0.28 2.79 2.00 -0.41 -1.29 119.66 126.60 3hn3 s GLN 538 Ca -0.11 -0.57 0.23 0.00 -2.00 0.00 0.00 55.36 52.91 3hn3 s GLN 538 Cb -0.16 -4.72 0.24 0.00 0.80 0.00 0.00 33.01 29.17 3hn3 s GLN 538 CO 0.06 -2.25 1.36 0.66 -0.50 0.00 0.00 175.29 174.61 3hn3 h SER 539 N 10.22 0.00 -3.88 6.67 4.64 -1.36 -0.19 113.55 129.65 3hn3 h SER 539 Ca -0.06 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 3hn3 h SER 539 Cb 1.04 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.87 3hn3 h SER 539 CO 1.34 0.02 -0.43 -1.61 -0.87 0.00 0.00 176.83 175.27 3hn3 s GLU 540 N -3.26 0.30 0.05 4.77 2.02 -1.20 -4.54 118.70 116.84 3hn3 s GLU 540 Ca 0.04 0.30 -0.27 0.00 0.02 0.00 0.00 54.97 55.07 3hn3 s GLU 540 Cb 0.09 0.14 0.09 0.00 0.10 0.00 0.00 34.13 34.55 3hn3 s GLU 540 CO 0.72 -0.04 0.77 1.52 0.02 0.00 0.00 175.26 178.25 3hn3 s TYR 541 N 0.05 -0.44 -5.00 1.61 1.13 -1.25 -2.25 117.35 111.20 3hn3 s TYR 541 Ca -0.01 0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.97 3hn3 s TYR 541 Cb -0.02 0.54 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 3hn3 s TYR 541 CO 0.00 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 172.80 3hn3 n GLY 542 N -0.20 -0.62 3.20 5.49 0.00 -1.26 -1.33 105.19 110.47 3hn3 n GLY 542 Ca -0.12 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.00 -0.78 0.23 4.61 0.00 -1.26 -4.88 121.76 118.68 3hn3 s ALA 543 Ca 0.00 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3hn3 s ALA 543 Cb 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 23.12 22.48 3hn3 s ALA 543 CO 0.00 -0.16 1.41 -1.21 0.00 0.00 0.00 175.76 175.80 3hn3 s GLU 544 N 0.29 4.30 -0.16 0.00 0.41 -1.26 -4.12 118.70 118.15 3hn3 s GLU 544 Ca -0.01 2.24 -0.04 0.00 -0.41 0.00 0.00 54.97 56.75 3hn3 s GLU 544 Cb -0.03 -3.13 0.07 0.00 -1.78 0.00 0.00 34.13 29.26 3hn3 s GLU 544 CO -0.01 -0.38 0.18 0.99 -0.49 0.00 0.00 175.26 175.55 3hn3 s THR 545 N 0.08 -0.27 -0.40 3.63 2.01 0.91 -3.27 115.64 118.33 3hn3 s THR 545 Ca 0.59 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.40 3hn3 s THR 545 Cb -0.40 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 71.59 3hn3 s THR 545 CO 0.41 -0.09 0.81 -0.63 -0.69 0.00 0.00 174.62 174.44 3hn3 s ILE 546 N 2.29 4.67 0.13 1.82 -1.09 -0.59 -4.74 121.20 123.68 3hn3 s ILE 546 Ca 0.05 0.77 -0.35 0.00 -2.23 0.00 0.00 60.65 58.89 3hn3 s ILE 546 Cb -0.14 -4.28 -0.15 0.00 -1.58 0.00 0.00 42.46 36.31 3hn3 s ILE 546 CO -0.09 -0.57 1.43 0.00 -1.23 0.00 0.00 174.94 174.48 3hn3 n ALA 547 N 6.62 0.07 0.00 9.38 0.00 -1.26 -1.61 120.51 133.71 3hn3 n ALA 547 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3hn3 n ALA 547 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3hn3 n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hn3 n GLY 548 N 2.85 2.40 3.67 0.00 0.00 -1.26 -5.05 105.19 107.81 3hn3 n GLY 548 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.60 3.44 -0.01 1.61 0.40 -0.63 -5.01 117.98 115.18 3hn3 s PHE 549 Ca 0.00 1.32 0.03 0.00 -0.60 0.00 0.00 56.93 57.69 3hn3 s PHE 549 Cb 0.00 -3.05 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 3hn3 s PHE 549 CO 0.00 -0.24 -0.11 -1.01 0.70 0.00 0.00 175.22 174.56 3hn3 s HIS 550 N 2.13 1.00 -0.27 0.36 3.76 -1.26 -1.43 115.29 119.58 3hn3 s HIS 550 Ca 0.40 -0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.87 3hn3 s HIS 550 Cb -0.17 -0.64 0.08 0.00 1.11 0.00 0.00 32.58 32.96 3hn3 s HIS 550 CO 0.13 -0.01 0.75 -1.14 -0.85 0.00 0.00 174.74 173.62 3hn3 s GLN 551 N -0.32 0.80 -0.06 1.40 0.74 -1.26 -5.03 119.66 115.93 3hn3 s GLN 551 Ca 0.04 0.97 0.03 0.00 0.05 0.00 0.00 55.36 56.45 3hn3 s GLN 551 Cb -0.04 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3hn3 s GLN 551 CO -0.00 -0.10 -0.16 0.34 -0.55 0.00 0.00 175.29 174.82 3hn3 s ASP 552 N 0.41 2.13 0.88 6.67 2.15 -1.26 -3.36 116.67 124.30 3hn3 s ASP 552 Ca -0.00 -0.36 -0.12 0.00 0.43 0.00 0.00 52.55 52.50 3hn3 s ASP 552 Cb -0.05 -0.78 0.10 0.00 -0.30 0.00 0.00 42.92 41.89 3hn3 s ASP 552 CO -0.01 0.11 1.04 -2.65 -0.17 0.00 0.00 175.17 173.49 3hn3 n PRO 553 N 3.43 -0.20 -2.37 4.34 -0.02 -1.26 -5.08 135.00 133.84 3hn3 n PRO 553 Ca -0.20 0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 3hn3 n PRO 553 Cb 0.53 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 -4.25 4.04 0.13 0.52 0.04 -1.21 -5.06 135.00 129.20 3hn3 s PRO 554 Ca 0.68 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.52 3hn3 s PRO 554 Cb -0.25 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 3hn3 s PRO 554 CO 0.57 -0.30 -0.20 -0.51 0.04 0.00 0.00 177.00 176.60 3hn3 s LEU 555 N -2.63 2.35 0.29 -3.56 1.43 -1.26 -4.89 118.68 110.41 3hn3 s LEU 555 Ca 0.58 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 3hn3 s LEU 555 Cb -0.27 -0.87 -0.15 0.00 0.03 0.00 0.00 46.19 44.93 3hn3 s LEU 555 CO 0.34 0.02 0.67 0.23 0.23 0.00 0.00 176.35 177.85 3hn3 n MET 556 N 0.79 0.59 0.00 1.70 2.81 -1.26 -2.11 117.12 119.63 3hn3 n MET 556 Ca -0.17 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3hn3 n MET 556 Cb 0.55 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.15 0.00 -2.62 2.03 3.72 -1.20 -5.05 117.46 114.20 3hn3 n PHE 557 Ca 0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 3hn3 n PHE 557 Cb 0.31 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.63 4.83 0.36 4.37 -4.23 -0.90 -1.55 115.64 115.90 3hn3 s THR 558 Ca 0.00 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 3hn3 s THR 558 Cb 0.00 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.16 3hn3 s THR 558 CO 0.00 -0.76 1.86 -0.33 -0.54 0.00 0.00 174.62 174.85 3hn3 h GLU 559 N 0.56 0.28 -0.39 3.99 5.08 -1.50 -2.45 114.58 120.14 3hn3 h GLU 559 Ca -0.47 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3hn3 h GLU 559 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3hn3 h GLU 559 CO 0.62 0.45 -0.23 0.93 -1.00 0.00 0.00 179.01 179.79 3hn3 h GLU 560 N 0.26 0.78 -0.44 2.33 3.07 -1.86 -1.05 114.58 117.67 3hn3 h GLU 560 Ca 0.05 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 3hn3 h GLU 560 Cb 0.46 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3hn3 h GLU 560 CO 0.03 0.93 0.07 -0.92 -1.40 0.00 0.00 179.01 177.73 3hn3 h TYR 561 N 0.68 0.77 -0.35 4.33 5.03 -1.70 -0.09 116.97 125.64 3hn3 h TYR 561 Ca 0.09 -0.11 0.04 0.00 2.58 0.00 0.00 58.73 61.34 3hn3 h TYR 561 Cb 0.74 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 3hn3 h TYR 561 CO 0.04 0.73 0.12 0.37 -1.32 0.00 0.00 178.16 178.10 3hn3 h GLN 562 N 0.59 0.26 -0.28 1.82 4.15 -1.16 0.64 115.11 121.13 3hn3 h GLN 562 Ca 0.13 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3hn3 h GLN 562 Cb 0.38 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3hn3 h GLN 562 CO 0.01 0.17 0.09 0.87 -1.93 0.00 0.00 178.83 178.04 3hn3 h LYS 563 N 0.27 0.20 -0.32 1.69 1.57 -0.99 -1.56 116.57 117.43 3hn3 h LYS 563 Ca 0.16 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3hn3 h LYS 563 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3hn3 h LYS 563 CO -0.16 0.13 -0.02 0.77 -0.57 0.00 0.00 179.45 179.60 3hn3 h SER 564 N 0.21 0.57 -0.69 0.86 0.02 -0.59 0.01 113.55 113.95 3hn3 h SER 564 Ca 0.12 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3hn3 h SER 564 Cb 0.10 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3hn3 h SER 564 CO -0.13 0.76 0.43 0.25 -1.14 0.00 0.00 176.83 177.00 3hn3 h LEU 565 N 0.37 0.71 -0.17 5.07 6.46 -0.81 -1.09 115.31 125.85 3hn3 h LEU 565 Ca 0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3hn3 h LEU 565 Cb 0.48 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3hn3 h LEU 565 CO 0.02 0.49 0.09 -0.07 -0.62 0.00 0.00 178.44 178.35 3hn3 h LEU 566 N 0.84 0.21 -0.60 2.25 4.07 -0.96 -1.08 115.31 120.04 3hn3 h LEU 566 Ca 0.28 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.24 3hn3 h LEU 566 Cb 0.03 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.65 3hn3 h LEU 566 CO -0.11 0.23 0.24 -0.33 -1.08 0.00 0.00 178.44 177.39 3hn3 h GLU 567 N 0.17 0.42 -0.37 1.13 5.08 -0.59 0.16 114.58 120.58 3hn3 h GLU 567 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3hn3 h GLU 567 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hn3 h GLU 567 CO -0.01 0.28 -0.09 1.96 -1.00 0.00 0.00 179.01 180.15 3hn3 h GLN 568 N 0.43 0.71 -0.64 2.33 1.08 -0.98 -1.52 115.11 116.53 3hn3 h GLN 568 Ca 0.29 -0.27 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3hn3 h GLN 568 Cb 0.34 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 3hn3 h GLN 568 CO -0.28 0.86 0.38 1.88 -0.95 0.00 0.00 178.83 180.72 3hn3 h TYR 569 N 0.51 0.71 -0.80 2.96 -1.99 -0.73 -1.99 116.97 115.64 3hn3 h TYR 569 Ca 0.09 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3hn3 h TYR 569 Cb 0.60 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 39.06 3hn3 h TYR 569 CO 0.05 0.39 0.41 0.45 -0.00 0.00 0.00 178.16 179.46 3hn3 h HIS 570 N 0.74 1.14 -0.68 4.88 3.86 -0.46 0.22 115.15 124.84 3hn3 h HIS 570 Ca 0.27 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3hn3 h HIS 570 Cb 0.07 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 3hn3 h HIS 570 CO -0.06 0.81 0.15 -0.07 0.86 0.00 0.00 177.93 179.62 3hn3 h LEU 571 N 1.13 1.05 -0.61 2.43 3.38 -1.02 0.50 115.31 122.17 3hn3 h LEU 571 Ca 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hn3 h LEU 571 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hn3 h LEU 571 CO -0.04 1.02 0.24 1.23 0.09 0.00 0.00 178.44 180.98 3hn3 h GLY 572 N 1.03 0.98 1.02 0.83 0.00 -0.80 -3.06 103.07 103.08 3hn3 h GLY 572 Ca 0.21 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3hn3 h GLY 572 CO 0.01 0.50 0.17 1.41 0.00 0.00 0.00 176.54 178.63 3hn3 h LEU 573 N 0.85 0.93 -1.79 3.11 3.38 -0.12 -2.64 115.31 119.02 3hn3 h LEU 573 Ca 0.20 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3hn3 h LEU 573 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hn3 h LEU 573 CO -0.02 0.91 0.38 0.44 0.09 0.00 0.00 178.44 180.23 3hn3 h ASP 574 N 0.90 0.20 0.90 -0.43 3.32 -0.81 -0.88 116.42 119.62 3hn3 h ASP 574 Ca 0.20 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hn3 h ASP 574 Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hn3 h ASP 574 CO -0.00 0.12 0.00 1.56 -1.72 0.00 0.00 179.24 179.20 3hn3 h GLN 575 N 0.22 0.00 0.00 3.56 1.08 -1.42 -3.32 115.11 115.23 3hn3 h GLN 575 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 3hn3 h GLN 575 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3hn3 h GLN 575 CO -0.05 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.46 3hn3 n LYS 576 N -2.36 1.05 0.00 1.46 4.76 -0.77 -4.83 118.16 117.46 3hn3 n LYS 576 Ca 0.02 -0.14 0.14 0.00 -2.87 0.00 0.00 58.31 55.46 3hn3 n LYS 576 Cb 0.27 -0.54 0.69 0.00 -1.84 0.00 0.00 35.03 33.61 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 -0.19 0.30 -0.48 1.97 1.85 -0.41 -1.41 116.66 118.29 3hn3 n ARG 577 Ca 0.00 0.02 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 3hn3 n ARG 577 Cb 0.08 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.34 3.39 0.00 2.89 5.12 -1.26 -4.73 116.66 120.72 3hn3 n ARG 578 Ca 0.12 -2.70 0.00 0.00 -1.93 0.00 0.00 57.85 53.34 3hn3 n ARG 578 Cb 0.26 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 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 -0.50 -5.02 118.16 123.78 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 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.81 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 -1.36 0.00 -3.09 2.13 0.18 -0.94 -4.76 117.16 109.32 3hn3 n TYR 580 Ca 0.00 -0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.35 3hn3 n TYR 580 Cb 0.00 -0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 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 -0.04 4.96 -1.40 -3.48 1.01 -0.55 -1.44 120.40 119.46 3hn3 s VAL 581 Ca 0.00 1.12 0.13 0.00 0.00 0.00 0.00 61.98 63.24 3hn3 s VAL 581 Cb 0.00 -3.96 0.25 0.00 0.00 0.00 0.00 36.38 32.66 3hn3 s VAL 581 CO 0.00 -0.01 1.13 1.33 0.00 0.00 0.00 175.10 177.55 3hn3 n VAL 582 N 5.24 0.52 -3.56 2.92 0.24 0.67 -4.31 118.33 120.04 3hn3 n VAL 582 Ca -0.00 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.48 3hn3 n VAL 582 Cb 0.49 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.06 -0.33 -0.07 7.63 0.00 -1.24 -1.43 107.32 110.82 3hn3 s GLY 583 Ca 0.22 1.51 -0.04 0.00 0.00 0.00 0.00 44.72 46.42 3hn3 s GLY 583 CO 0.18 0.55 0.16 -1.83 0.00 0.00 0.00 173.10 172.17 3hn3 s GLU 584 N -2.44 0.14 -0.14 2.90 -1.05 -0.05 -1.29 118.70 116.77 3hn3 s GLU 584 Ca 0.07 0.34 -0.01 0.00 -0.15 0.00 0.00 54.97 55.21 3hn3 s GLU 584 Cb -0.01 -0.09 0.04 0.00 -0.44 0.00 0.00 34.13 33.64 3hn3 s GLU 584 CO -0.06 -0.12 -0.02 -0.51 0.95 0.00 0.00 175.26 175.51 3hn3 s LEU 585 N 0.83 1.20 0.19 1.83 1.43 -0.08 -1.39 118.68 122.68 3hn3 s LEU 585 Ca -0.06 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3hn3 s LEU 585 Cb -0.08 -0.71 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 3hn3 s LEU 585 CO -0.04 -0.21 1.26 -0.51 0.23 0.00 0.00 176.35 177.08 3hn3 s ILE 586 N 1.78 3.40 -0.35 -0.59 2.07 -1.06 -3.60 121.20 122.85 3hn3 s ILE 586 Ca 0.02 1.16 -0.19 0.00 -1.41 0.00 0.00 60.65 60.23 3hn3 s ILE 586 Cb -0.15 -3.74 -0.00 0.00 0.13 0.00 0.00 42.46 38.70 3hn3 s ILE 586 CO -0.07 0.17 0.55 0.86 -1.91 0.00 0.00 174.94 174.55 3hn3 s TRP 587 N 0.08 3.17 0.12 3.50 -0.11 -0.44 -1.54 118.94 123.73 3hn3 s TRP 587 Ca 0.55 0.22 -0.00 0.00 1.22 0.00 0.00 56.10 58.09 3hn3 s TRP 587 Cb -0.34 -3.00 -0.04 0.00 -1.50 0.00 0.00 33.47 28.58 3hn3 s TRP 587 CO 0.37 -0.58 0.01 1.21 -4.62 0.00 0.00 176.95 173.35 3hn3 s ASN 588 N 1.77 0.64 0.18 5.86 3.84 -0.81 -4.31 114.94 122.11 3hn3 s ASN 588 Ca 0.20 -1.14 -0.19 0.00 0.21 0.00 0.00 52.86 51.95 3hn3 s ASN 588 Cb -0.15 0.22 0.13 0.00 -0.55 0.00 0.00 41.25 40.90 3hn3 s ASN 588 CO 0.14 -0.64 1.62 0.15 -2.79 0.00 0.00 177.10 175.57 3hn3 h PHE 589 N 2.89 -0.62 -3.34 0.43 3.04 -1.19 -1.18 116.94 116.98 3hn3 h PHE 589 Ca -0.35 0.06 -0.12 0.00 3.98 0.00 0.00 57.97 61.53 3hn3 h PHE 589 Cb 1.18 0.35 -0.19 0.00 2.56 0.00 0.00 35.95 39.85 3hn3 h PHE 589 CO 0.49 -0.32 -0.37 0.00 -2.02 0.00 0.00 178.31 176.09 3hn3 s ALA 590 N -6.11 -0.52 0.19 2.41 0.00 -1.26 -1.37 121.76 115.10 3hn3 s ALA 590 Ca -0.14 -0.00 -0.32 0.00 0.00 0.00 0.00 51.96 51.49 3hn3 s ALA 590 Cb 0.16 0.16 -0.15 0.00 0.00 0.00 0.00 23.12 23.28 3hn3 s ALA 590 CO 0.70 -0.28 1.23 -0.25 0.00 0.00 0.00 175.76 177.16 3hn3 n ASP 591 N 1.14 1.70 -4.07 0.00 8.00 -0.88 -4.44 116.55 118.01 3hn3 n ASP 591 Ca -0.21 1.14 -0.10 0.00 0.71 0.00 0.00 54.79 56.33 3hn3 n ASP 591 Cb 0.57 -1.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.32 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 -0.15 0.69 0.17 1.24 -0.12 -0.89 -4.01 117.98 114.91 3hn3 s PHE 592 Ca 0.72 -1.02 -0.16 0.00 -0.05 0.00 0.00 56.93 56.42 3hn3 s PHE 592 Cb -0.80 -0.22 -0.07 0.00 -0.63 0.00 0.00 43.02 41.29 3hn3 s PHE 592 CO 0.51 -0.72 0.61 1.41 -0.05 0.00 0.00 175.22 176.99 3hn3 s MET 593 N -4.05 4.09 0.34 1.99 -2.45 -1.26 -0.69 119.30 117.27 3hn3 s MET 593 Ca 0.26 0.64 0.04 0.00 -1.25 0.00 0.00 55.69 55.38 3hn3 s MET 593 Cb 0.04 -2.92 -0.03 0.00 1.25 0.00 0.00 34.83 33.17 3hn3 s MET 593 CO 0.06 0.45 0.16 0.95 1.05 0.00 0.00 175.02 177.69 3hn3 s THR 594 N -1.48 0.44 0.83 10.11 -4.23 -1.26 -1.38 115.64 118.68 3hn3 s THR 594 Ca 0.39 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3hn3 s THR 594 Cb -0.16 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.30 3hn3 s THR 594 CO 0.20 0.00 1.15 -1.61 -0.54 0.00 0.00 174.62 173.82 3hn3 s GLU 595 N -3.75 1.62 0.22 3.99 0.41 -1.26 -4.58 118.70 115.35 3hn3 s GLU 595 Ca 0.32 1.51 -0.30 0.00 -0.41 0.00 0.00 54.97 56.10 3hn3 s GLU 595 Cb 0.04 -1.80 -0.09 0.00 -1.78 0.00 0.00 34.13 30.51 3hn3 s GLU 595 CO 0.17 -2.18 1.22 -0.65 -0.49 0.00 0.00 175.26 173.34 3hn3 s GLN 596 N -4.51 4.47 -0.03 1.61 -0.21 -1.26 -4.78 119.66 114.95 3hn3 s GLN 596 Ca 0.67 1.95 -0.30 0.00 0.02 0.00 0.00 55.36 57.71 3hn3 s GLN 596 Cb -0.23 -3.20 0.11 0.00 1.00 0.00 0.00 33.01 30.69 3hn3 s GLN 596 CO 0.54 -0.09 0.96 -1.54 -2.12 0.00 0.00 175.29 173.04 3hn3 s SER 597 N -0.06 -0.30 0.12 5.90 1.04 -1.26 -5.03 113.70 114.12 3hn3 s SER 597 Ca 0.52 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 57.03 3hn3 s SER 597 Cb -0.34 0.34 0.56 0.00 0.10 0.00 0.00 66.02 66.67 3hn3 s SER 597 CO 0.40 -0.56 1.35 -2.65 0.98 0.00 0.00 173.24 172.76 3hn3 n PRO 598 N -0.24 0.06 -0.23 4.02 -0.02 -1.26 -1.87 135.00 135.47 3hn3 n PRO 598 Ca -0.07 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3hn3 n PRO 598 Cb 0.61 -1.68 0.23 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.81 0.67 -3.83 3.45 -2.24 -1.26 -4.85 114.28 104.41 3hn3 n THR 599 Ca 0.00 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 3hn3 n THR 599 Cb 0.06 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.27 1.02 -0.85 -0.78 1.81 -0.78 -5.01 118.95 113.09 3hn3 s ARG 600 Ca 0.38 -1.15 -0.25 0.00 -1.72 0.00 0.00 55.73 53.00 3hn3 s ARG 600 Cb 0.22 -2.34 0.05 0.00 -0.45 0.00 0.00 34.95 32.42 3hn3 s ARG 600 CO 0.29 -0.87 1.32 0.08 -0.68 0.00 0.00 175.30 175.44 3hn3 s VAL 601 N 1.46 3.90 -1.38 3.52 1.01 -1.26 -3.94 120.40 123.72 3hn3 s VAL 601 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3hn3 s VAL 601 Cb -0.18 -4.95 0.00 0.00 0.00 0.00 0.00 36.38 31.25 3hn3 s VAL 601 CO -0.17 -1.84 0.42 0.18 0.00 0.00 0.00 175.10 173.69 3hn3 n LEU 602 N 8.91 -2.03 0.00 3.92 4.77 -1.26 -4.64 117.00 126.66 3hn3 n LEU 602 Ca 0.15 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3hn3 n LEU 602 Cb 0.50 -2.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 3hn3 n LEU 602 CO 0.67 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3hn3 n GLY 603 N -2.03 -1.68 3.65 -0.72 0.00 -1.25 -4.75 105.19 98.40 3hn3 n GLY 603 Ca -0.28 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 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 6.43 -0.29 1.61 3.84 0.13 -4.60 114.94 118.07 3hn3 s ASN 604 Ca 0.00 0.51 0.11 0.00 0.21 0.00 0.00 52.86 53.69 3hn3 s ASN 604 Cb 0.00 -2.25 0.58 0.00 -0.55 0.00 0.00 41.25 39.03 3hn3 s ASN 604 CO 0.00 -0.15 1.58 0.29 -2.79 0.00 0.00 177.10 176.03 3hn3 n LYS 605 N 4.87 2.55 -0.03 0.43 4.76 -1.26 -2.10 118.16 127.37 3hn3 n LYS 605 Ca -0.07 -3.05 0.10 0.00 -2.87 0.00 0.00 58.31 52.42 3hn3 n LYS 605 Cb 0.51 -1.95 0.51 0.00 -1.84 0.00 0.00 35.03 32.26 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 -0.78 1.27 -1.67 1.97 5.02 -1.26 -0.07 118.16 122.65 3hn3 n LYS 606 Ca 0.35 -0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 3hn3 n LYS 606 Cb 1.15 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.83 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 0.93 0.22 0.14 0.72 0.00 -1.26 -1.93 105.19 104.01 3hn3 n GLY 607 Ca 0.15 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 1.70 0.00 -3.33 -0.61 3.07 -1.13 -3.45 117.51 113.76 3hn3 h ILE 608 Ca -0.47 -0.81 -0.65 0.00 1.55 0.00 0.00 64.86 64.49 3hn3 h ILE 608 Cb 1.32 1.56 -0.14 0.00 -0.27 0.00 0.00 36.82 39.29 3hn3 h ILE 608 CO 0.58 0.00 -0.70 -0.36 -1.05 0.00 0.00 178.15 176.62 3hn3 s PHE 609 N -3.23 2.82 0.96 0.16 0.40 -0.47 -0.69 117.98 117.93 3hn3 s PHE 609 Ca 0.05 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 3hn3 s PHE 609 Cb 0.09 -1.44 0.16 0.00 0.51 0.00 0.00 43.02 42.35 3hn3 s PHE 609 CO 0.71 0.47 1.09 0.95 0.70 0.00 0.00 175.22 179.13 3hn3 s THR 610 N -1.38 2.42 0.60 0.64 -4.23 0.14 -2.06 115.64 111.76 3hn3 s THR 610 Ca 0.24 0.14 0.31 0.00 -1.18 0.00 0.00 61.69 61.20 3hn3 s THR 610 Cb -0.11 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.59 3hn3 s THR 610 CO 0.16 -0.18 2.26 -0.09 -0.54 0.00 0.00 174.62 176.24 3hn3 h ARG 611 N -1.80 0.00 -0.32 3.99 2.43 -1.91 -0.55 114.38 116.22 3hn3 h ARG 611 Ca -0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3hn3 h ARG 611 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3hn3 h ARG 611 CO 0.53 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 180.03 3hn3 n GLN 612 N -3.77 1.68 -3.06 0.20 3.00 -1.26 -4.69 117.38 109.47 3hn3 n GLN 612 Ca -0.03 -0.97 -0.14 0.00 -0.01 0.00 0.00 57.00 55.86 3hn3 n GLN 612 Cb 0.09 -1.26 0.04 0.00 0.00 0.00 0.00 30.24 29.11 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 0.27 -4.34 -4.80 -1.09 3.00 -0.21 -5.06 116.66 104.42 3hn3 n ARG 613 Ca 0.09 0.49 -0.30 0.00 -0.01 0.00 0.00 57.85 58.12 3hn3 n ARG 613 Cb 0.26 -4.49 -0.14 0.00 0.00 0.00 0.00 32.46 28.09 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 -5.67 1.84 0.12 5.56 -1.52 -1.26 -4.91 119.66 113.82 3hn3 s GLN 614 Ca 0.31 -1.10 -0.30 0.00 -1.95 0.00 0.00 55.36 52.32 3hn3 s GLN 614 Cb -0.14 -2.03 -0.07 0.00 -0.22 0.00 0.00 33.01 30.56 3hn3 s GLN 614 CO 0.39 0.51 1.16 -1.25 -0.25 0.00 0.00 175.29 175.86 3hn3 s PRO 615 N -1.36 4.49 0.80 2.91 0.04 -1.26 -0.69 135.00 139.94 3hn3 s PRO 615 Ca 0.13 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3hn3 s PRO 615 Cb -0.10 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.20 3hn3 s PRO 615 CO 0.03 -0.12 1.09 0.15 0.04 0.00 0.00 177.00 178.19 3hn3 s LYS 616 N 0.40 2.05 0.39 4.56 1.02 0.13 -4.91 119.74 123.39 3hn3 s LYS 616 Ca 0.55 0.67 0.10 0.00 0.02 0.00 0.00 55.97 57.31 3hn3 s LYS 616 Cb -0.30 -1.91 0.88 0.00 -0.52 0.00 0.00 37.83 35.98 3hn3 s LYS 616 CO 0.32 -1.65 1.96 0.77 -0.92 0.00 0.00 175.35 175.83 3hn3 h SER 617 N -1.11 0.53 -0.06 2.83 0.02 -1.92 -1.21 113.55 112.62 3hn3 h SER 617 Ca -0.47 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3hn3 h SER 617 Cb 1.27 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3hn3 h SER 617 CO 0.59 0.32 0.07 0.00 -1.14 0.00 0.00 176.83 176.67 3hn3 h ALA 618 N 1.65 1.64 -0.72 3.77 0.00 -1.88 -2.80 119.26 120.93 3hn3 h ALA 618 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hn3 h ALA 618 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hn3 h ALA 618 CO -0.10 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.50 3hn3 h ALA 619 N 1.92 0.91 -0.50 0.00 0.00 -1.38 -1.29 119.26 118.93 3hn3 h ALA 619 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hn3 h ALA 619 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hn3 h ALA 619 CO -0.00 0.36 0.13 0.74 0.00 0.00 0.00 179.25 180.48 3hn3 h PHE 620 N 0.98 0.76 0.17 0.00 -1.00 -1.64 -0.23 116.94 115.98 3hn3 h PHE 620 Ca 0.26 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.97 3hn3 h PHE 620 Cb -0.08 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.26 3hn3 h PHE 620 CO -0.02 0.63 -0.08 1.25 -1.61 0.00 0.00 178.31 178.48 3hn3 h LEU 621 N 0.72 -0.20 -0.67 1.54 5.85 -1.44 -1.68 115.31 119.43 3hn3 h LEU 621 Ca 0.16 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hn3 h LEU 621 Cb 0.25 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3hn3 h LEU 621 CO -0.00 0.05 0.39 0.25 -0.34 0.00 0.00 178.44 178.79 3hn3 h LEU 622 N -0.45 0.82 -0.01 2.25 5.85 -1.02 -2.29 115.31 120.45 3hn3 h LEU 622 Ca -0.02 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3hn3 h LEU 622 Cb 0.35 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3hn3 h LEU 622 CO 0.04 0.66 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.41 3hn3 h ARG 623 N 0.91 -0.42 -0.83 1.25 2.43 -1.00 -0.26 114.38 116.47 3hn3 h ARG 623 Ca 0.24 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.57 3hn3 h ARG 623 Cb 0.00 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 3hn3 h ARG 623 CO -0.04 -0.28 0.42 0.93 -1.51 0.00 0.00 179.97 179.49 3hn3 h GLU 624 N -0.44 0.60 -0.04 0.20 4.39 -1.03 -1.89 114.58 116.38 3hn3 h GLU 624 Ca 0.07 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3hn3 h GLU 624 Cb 0.53 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3hn3 h GLU 624 CO -0.26 0.40 0.02 -0.09 -1.16 0.00 0.00 179.01 177.92 3hn3 h ARG 625 N 0.62 0.05 -0.69 2.33 2.43 -0.80 -1.83 114.38 116.49 3hn3 h ARG 625 Ca 0.44 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 3hn3 h ARG 625 Cb 0.60 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 3hn3 h ARG 625 CO -0.35 0.14 0.33 1.88 -1.51 0.00 0.00 179.97 180.46 3hn3 h TYR 626 N -0.05 1.01 -0.52 2.20 -1.99 -0.69 0.14 116.97 117.06 3hn3 h TYR 626 Ca 0.01 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.61 3hn3 h TYR 626 Cb 0.10 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 3hn3 h TYR 626 CO -0.04 0.75 -0.01 -1.49 -0.00 0.00 0.00 178.16 177.37 3hn3 h TRP 627 N 0.97 1.01 -0.26 4.88 4.06 -1.36 0.16 115.95 125.41 3hn3 h TRP 627 Ca 0.24 -0.18 0.02 0.00 2.06 0.00 0.00 58.89 61.03 3hn3 h TRP 627 Cb 0.12 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 3hn3 h TRP 627 CO 0.01 0.94 0.13 -0.22 -3.56 0.00 0.00 178.44 175.73 3hn3 h LYS 628 N 0.80 0.26 -0.86 0.49 3.64 -0.76 -0.94 116.57 119.20 3hn3 h LYS 628 Ca 0.15 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3hn3 h LYS 628 Cb 0.54 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3hn3 h LYS 628 CO 0.03 0.17 0.43 0.82 -2.27 0.00 0.00 179.45 178.63 3hn3 h ILE 629 N 0.27 1.26 -0.28 2.00 2.04 -0.52 -2.65 117.51 119.64 3hn3 h ILE 629 Ca 0.11 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3hn3 h ILE 629 Cb 0.04 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3hn3 h ILE 629 CO -0.08 0.30 -0.02 0.00 0.00 0.00 0.00 178.15 178.36 3hn3 h ALA 630 N 1.23 1.46 -0.00 1.87 0.00 -0.42 -2.79 119.26 120.62 3hn3 h ALA 630 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hn3 h ALA 630 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hn3 h ALA 630 CO -0.04 0.38 -0.18 -1.71 0.00 0.00 0.00 179.25 177.71 3hn3 n ASN 631 N -4.30 0.29 0.00 0.00 5.15 -0.41 -4.98 115.26 111.01 3hn3 n ASN 631 Ca 0.01 -0.07 0.06 0.00 -0.60 0.00 0.00 54.58 53.98 3hn3 n ASN 631 Cb 0.23 -0.15 0.38 0.00 -0.53 0.00 0.00 39.78 39.71 3hn3 n ASN 631 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04