#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh3 n SER 5 N 0.00 0.43 -4.94 -1.12 3.41 -1.26 -5.14 113.62 105.00 3dh3 n SER 5 Ca 0.00 -0.53 -0.24 0.00 -0.26 0.00 0.00 58.87 57.84 3dh3 n SER 5 Cb 0.00 1.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.98 3dh3 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dh3 s SER 6 N -1.36 5.67 -0.06 4.04 1.04 -1.26 -5.02 113.70 116.76 3dh3 s SER 6 Ca 0.01 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.92 3dh3 s SER 6 Cb 0.02 -1.54 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 3dh3 s SER 6 CO 0.12 -0.90 -0.21 -0.69 0.98 0.00 0.00 173.24 172.54 3dh3 s VAL 7 N -2.76 2.41 0.44 5.02 1.01 -1.21 -4.95 120.40 120.36 3dh3 s VAL 7 Ca 0.51 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 3dh3 s VAL 7 Cb -0.10 -1.90 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 3dh3 s VAL 7 CO 0.41 0.57 1.36 -0.60 0.00 0.00 0.00 175.10 176.84 3dh3 s ARG 8 N -0.31 3.77 0.10 2.72 3.52 -1.26 0.74 118.95 128.23 3dh3 s ARG 8 Ca 0.01 2.26 -0.32 0.00 -0.13 0.00 0.00 55.73 57.56 3dh3 s ARG 8 Cb -0.13 -2.66 -0.12 0.00 -1.56 0.00 0.00 34.95 30.48 3dh3 s ARG 8 CO 0.02 -0.69 1.59 1.25 -0.81 0.00 0.00 175.30 176.67 3dh3 h LEU 9 N 2.40 -1.15 -0.38 -0.88 5.85 -1.56 0.79 115.31 120.39 3dh3 h LEU 9 Ca -0.50 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3dh3 h LEU 9 Cb 1.26 0.41 -0.08 0.00 0.37 0.00 0.00 40.66 42.62 3dh3 h LEU 9 CO 0.61 -0.52 -0.17 -0.55 -0.34 0.00 0.00 178.44 177.48 3dh3 h ASN 10 N -0.74 -0.58 -0.06 1.25 7.08 -1.90 0.30 115.58 120.94 3dh3 h ASN 10 Ca -0.01 0.14 0.03 0.00 -3.08 0.00 0.00 56.30 53.38 3dh3 h ASN 10 Cb 0.70 0.32 -0.03 0.00 -2.08 0.00 0.00 38.32 37.23 3dh3 h ASN 10 CO -0.15 -0.20 -0.13 0.50 -2.08 0.00 0.00 177.43 175.37 3dh3 h LYS 11 N -0.10 -0.18 -0.24 4.14 3.64 -1.79 0.50 116.57 122.54 3dh3 h LYS 11 Ca 0.19 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3dh3 h LYS 11 Cb 0.39 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 3dh3 h LYS 11 CO -0.45 -0.12 -0.10 -0.92 -2.27 0.00 0.00 179.45 175.60 3dh3 h TYR 12 N -0.19 -0.22 -0.32 1.91 5.03 0.17 0.74 116.97 124.08 3dh3 h TYR 12 Ca 0.07 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 3dh3 h TYR 12 Cb 0.28 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 3dh3 h TYR 12 CO -0.21 -0.15 0.06 0.97 -1.32 0.00 0.00 178.16 177.51 3dh3 h ILE 13 N -0.05 1.23 -0.50 1.81 -0.00 -0.30 -2.50 117.51 117.20 3dh3 h ILE 13 Ca 0.12 -0.79 0.08 0.00 -0.00 0.00 0.00 64.86 64.27 3dh3 h ILE 13 Cb 0.24 1.12 -0.06 0.00 -0.00 0.00 0.00 36.82 38.12 3dh3 h ILE 13 CO -0.28 0.26 0.13 -1.28 -0.00 0.00 0.00 178.15 176.98 3dh3 h SER 14 N 0.37 0.07 0.15 2.19 0.87 0.11 0.85 113.55 118.16 3dh3 h SER 14 Ca 0.10 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3dh3 h SER 14 Cb 0.33 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3dh3 h SER 14 CO 0.00 0.07 0.00 -0.62 -0.53 0.00 0.00 176.83 175.75 3dh3 n GLU 15 N -5.07 0.05 0.21 2.24 1.02 0.25 -1.29 120.64 118.05 3dh3 n GLU 15 Ca 0.05 0.49 0.15 0.00 -0.02 0.00 0.00 57.16 57.83 3dh3 n GLU 15 Cb 0.23 -1.65 0.53 0.00 -0.02 0.00 0.00 31.44 30.52 3dh3 n GLU 15 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dh3 h SER 16 N 0.00 0.00 0.00 1.62 4.64 -0.38 -3.41 113.55 116.01 3dh3 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dh3 h SER 16 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dh3 h SER 16 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dh3 n GLY 17 N 0.31 0.46 0.29 -0.77 0.00 -0.41 -4.95 105.19 100.12 3dh3 n GLY 17 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3dh3 n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dh3 h ILE 18 N 0.00 1.19 -2.02 -0.61 1.08 -1.72 -3.43 117.51 111.99 3dh3 h ILE 18 Ca 0.00 -0.35 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 3dh3 h ILE 18 Cb 0.00 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 3dh3 h ILE 18 CO 0.00 0.19 0.31 0.00 -0.69 0.00 0.00 178.15 177.96 3dh3 s SER 20 N -2.24 5.04 0.15 0.00 1.04 -1.26 -4.34 113.70 112.10 3dh3 s SER 20 Ca 0.12 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 3dh3 s SER 20 Cb -0.01 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.59 3dh3 s SER 20 CO 0.02 -1.54 1.76 -0.09 0.98 0.00 0.00 173.24 174.38 3dh3 h ARG 21 N -0.72 0.64 0.00 4.02 2.43 -1.91 -0.93 114.38 117.91 3dh3 h ARG 21 Ca -0.45 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 3dh3 h ARG 21 Cb 1.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3dh3 h ARG 21 CO 0.64 0.50 -0.40 0.00 -1.51 0.00 0.00 179.97 179.21 3dh3 h ARG 22 N 0.61 0.00 -0.11 0.20 3.08 -1.94 -2.42 114.38 113.80 3dh3 h ARG 22 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3dh3 h ARG 22 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dh3 h ARG 22 CO -0.03 0.40 0.01 0.93 -1.07 0.00 0.00 179.97 180.21 3dh3 h GLU 23 N 0.00 0.19 -0.60 0.04 5.08 -1.87 -2.85 114.58 114.58 3dh3 h GLU 23 Ca -0.00 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3dh3 h GLU 23 Cb 0.84 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 3dh3 h GLU 23 CO 0.05 0.42 -0.54 0.00 -1.00 0.00 0.00 179.01 177.94 3dh3 h ALA 24 N 0.77 -0.67 -0.40 3.43 0.00 -0.71 -0.58 119.26 121.11 3dh3 h ALA 24 Ca 0.03 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3dh3 h ALA 24 Cb 0.32 1.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3dh3 h ALA 24 CO 0.00 -0.97 0.31 -0.44 0.00 0.00 0.00 179.25 178.15 3dh3 h ASP 25 N -0.23 0.00 -0.33 0.00 3.45 -1.36 0.13 116.42 118.07 3dh3 h ASP 25 Ca 0.10 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 3dh3 h ASP 25 Cb 0.50 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3dh3 h ASP 25 CO -0.68 0.00 0.03 -0.09 -1.57 0.00 0.00 179.24 176.93 3dh3 h ARG 26 N 0.00 0.57 0.53 3.56 9.65 -0.88 -1.29 114.38 126.51 3dh3 h ARG 26 Ca 0.19 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3dh3 h ARG 26 Cb 0.82 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.34 3dh3 h ARG 26 CO -0.00 0.67 -0.26 1.88 2.80 0.00 0.00 179.97 185.06 3dh3 h TYR 27 N 0.39 -0.66 -0.69 2.20 0.99 -0.29 -1.55 116.97 117.35 3dh3 h TYR 27 Ca 0.10 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.93 3dh3 h TYR 27 Cb 0.39 0.22 -0.13 0.00 1.00 0.00 0.00 36.73 38.22 3dh3 h TYR 27 CO 0.03 -0.39 -0.32 0.82 -0.00 0.00 0.00 178.16 178.30 3dh3 h ILE 28 N -0.76 0.15 -0.89 -2.88 2.04 -1.29 0.34 117.51 114.22 3dh3 h ILE 28 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3dh3 h ILE 28 Cb 0.57 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3dh3 h ILE 28 CO 0.12 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.52 3dh3 h GLU 29 N -0.11 0.95 -0.67 2.37 5.08 -1.03 0.18 114.58 121.36 3dh3 h GLU 29 Ca 0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3dh3 h GLU 29 Cb 0.56 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3dh3 h GLU 29 CO -0.75 0.63 0.00 1.04 -1.00 0.00 0.00 179.01 178.93 3dh3 n GLN 30 N -4.50 1.77 -2.79 2.33 6.02 0.04 -4.87 117.38 115.38 3dh3 n GLN 30 Ca 0.14 -0.72 -0.22 0.00 -0.01 0.00 0.00 57.00 56.19 3dh3 n GLN 30 Cb 0.23 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 30.00 3dh3 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dh3 n GLY 31 N 0.36 -0.51 0.46 1.08 0.00 0.63 -4.88 105.19 102.32 3dh3 n GLY 31 Ca 0.06 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3dh3 n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dh3 n ASN 32 N -2.33 1.66 -4.43 1.61 3.02 -0.77 -4.93 115.26 109.09 3dh3 n ASN 32 Ca -0.16 -1.34 -0.32 0.00 -0.03 0.00 0.00 54.58 52.73 3dh3 n ASN 32 Cb 0.64 0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.85 3dh3 n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dh3 s VAL 33 N -2.32 2.75 -0.06 2.41 1.01 -1.26 -1.09 120.40 121.85 3dh3 s VAL 33 Ca 0.26 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dh3 s VAL 33 Cb 0.19 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3dh3 s VAL 33 CO 0.46 0.57 -0.07 -0.36 0.00 0.00 0.00 175.10 175.70 3dh3 s PHE 34 N -0.71 1.05 -0.42 5.22 0.40 0.13 -0.15 117.98 123.50 3dh3 s PHE 34 Ca 0.11 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 3dh3 s PHE 34 Cb -0.10 -0.88 0.08 0.00 0.51 0.00 0.00 43.02 42.63 3dh3 s PHE 34 CO 0.00 -0.27 0.26 -1.17 0.70 0.00 0.00 175.22 174.75 3dh3 s LEU 35 N 1.04 5.16 -1.22 -0.37 0.20 0.22 -1.06 118.68 122.65 3dh3 s LEU 35 Ca -0.09 -1.48 -0.12 0.00 0.69 0.00 0.00 54.13 53.13 3dh3 s LEU 35 Cb -0.14 -2.00 -0.01 0.00 -0.43 0.00 0.00 46.19 43.61 3dh3 s LEU 35 CO -0.00 -0.54 0.70 0.59 -0.29 0.00 0.00 176.35 176.81 3dh3 n ASN 36 N 4.93 -3.59 0.00 3.68 3.02 0.56 -0.90 115.26 122.96 3dh3 n ASN 36 Ca -0.10 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3dh3 n ASN 36 Cb 0.43 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 3dh3 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dh3 n GLY 37 N -1.72 0.86 3.74 7.41 0.00 -1.26 -4.95 105.19 109.28 3dh3 n GLY 37 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3dh3 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh3 s LYS 38 N -0.23 4.42 -0.11 1.61 3.01 -0.08 -5.01 119.74 123.35 3dh3 s LYS 38 Ca 0.00 0.90 -0.29 0.00 -1.01 0.00 0.00 55.97 55.57 3dh3 s LYS 38 Cb 0.00 -3.38 -0.06 0.00 -1.01 0.00 0.00 37.83 33.38 3dh3 s LYS 38 CO 0.00 0.26 2.02 0.50 0.51 0.00 0.00 175.35 178.64 3dh3 s ARG 39 N 0.11 3.65 0.94 1.68 3.52 -1.26 0.71 118.95 128.30 3dh3 s ARG 39 Ca 0.36 2.21 -0.12 0.00 -0.13 0.00 0.00 55.73 58.05 3dh3 s ARG 39 Cb -0.19 -4.23 0.16 0.00 -1.56 0.00 0.00 34.95 29.12 3dh3 s ARG 39 CO 0.20 -1.50 1.09 0.00 -0.81 0.00 0.00 175.30 174.27 3dh3 s ALA 40 N 6.22 1.21 -0.02 6.12 0.00 0.79 -4.85 121.76 131.24 3dh3 s ALA 40 Ca 0.91 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 3dh3 s ALA 40 Cb -0.36 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3dh3 s ALA 40 CO 0.37 -2.65 0.11 0.95 0.00 0.00 0.00 175.76 174.54 3dh3 s THR 41 N -2.82 0.05 -0.37 0.00 -4.23 -1.26 -4.89 115.64 102.12 3dh3 s THR 41 Ca 0.65 -0.44 -0.35 0.00 -1.18 0.00 0.00 61.69 60.37 3dh3 s THR 41 Cb -0.20 -0.31 -0.15 0.00 1.34 0.00 0.00 72.50 73.19 3dh3 s THR 41 CO 0.58 -0.24 1.22 -0.38 -0.54 0.00 0.00 174.62 175.27 3dh3 n ILE 42 N 2.11 0.00 0.00 2.99 -0.00 -1.26 -2.01 119.36 121.19 3dh3 n ILE 42 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 3dh3 n ILE 42 Cb 0.57 -0.37 0.00 0.00 -0.00 0.00 0.00 39.64 39.84 3dh3 n ILE 42 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3dh3 n GLY 43 N 3.21 2.61 3.71 7.39 0.00 -1.26 -5.08 105.19 115.78 3dh3 n GLY 43 Ca 0.25 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3dh3 n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dh3 n ASP 44 N 0.11 1.73 -4.94 1.61 5.68 -0.85 -4.62 116.55 115.27 3dh3 n ASP 44 Ca 0.00 0.77 -0.24 0.00 -0.50 0.00 0.00 54.79 54.81 3dh3 n ASP 44 Cb 0.00 -1.54 -0.01 0.00 -1.14 0.00 0.00 41.12 38.44 3dh3 n ASP 44 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3dh3 s GLN 45 N -3.52 3.42 -0.33 0.11 -1.52 -1.26 -1.60 119.66 114.96 3dh3 s GLN 45 Ca 0.80 -0.26 0.02 0.00 -1.95 0.00 0.00 55.36 53.97 3dh3 s GLN 45 Cb -0.36 -2.59 0.09 0.00 -0.22 0.00 0.00 33.01 29.93 3dh3 s GLN 45 CO 0.43 0.01 0.03 0.54 -0.25 0.00 0.00 175.29 176.05 3dh3 s VAL 46 N -2.44 2.45 0.33 1.09 0.11 0.23 -4.82 120.40 117.35 3dh3 s VAL 46 Ca 0.43 -2.06 -0.18 0.00 -2.93 0.00 0.00 61.98 57.24 3dh3 s VAL 46 Cb -0.10 -2.67 -0.09 0.00 -1.53 0.00 0.00 36.38 31.98 3dh3 s VAL 46 CO 0.38 -0.44 0.80 -0.54 -3.33 0.00 0.00 175.10 171.97 3dh3 s LYS 47 N 1.01 4.15 0.43 1.54 1.02 -1.26 -3.33 119.74 123.29 3dh3 s LYS 47 Ca 0.05 0.86 0.21 0.00 0.02 0.00 0.00 55.97 57.11 3dh3 s LYS 47 Cb -0.20 -2.48 1.18 0.00 -0.52 0.00 0.00 37.83 35.82 3dh3 s LYS 47 CO -0.06 0.16 1.80 -1.35 -0.92 0.00 0.00 175.35 174.98 3dh3 h PRO 48 N 2.45 0.31 -0.14 -1.68 0.11 -1.99 0.39 132.00 131.44 3dh3 h PRO 48 Ca -0.48 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3dh3 h PRO 48 Cb 1.18 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3dh3 h PRO 48 CO 0.64 0.21 -0.09 0.78 -0.21 0.00 0.00 178.00 179.33 3dh3 h GLY 49 N 0.32 0.03 -3.10 -0.55 0.00 -2.05 -3.46 103.07 94.26 3dh3 h GLY 49 Ca 0.55 0.11 -0.57 0.00 0.00 0.00 0.00 47.33 47.43 3dh3 h GLY 49 CO -0.22 -0.11 -1.11 1.22 0.00 0.00 0.00 176.54 176.33 3dh3 n ASP 50 N -5.24 -3.57 -4.16 0.19 10.43 0.14 -5.04 116.55 109.30 3dh3 n ASP 50 Ca -0.03 0.46 -0.30 0.00 2.57 0.00 0.00 54.79 57.49 3dh3 n ASP 50 Cb 0.16 -0.96 -0.17 0.00 1.84 0.00 0.00 41.12 41.99 3dh3 n ASP 50 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3dh3 s VAL 51 N -2.01 1.80 -0.14 2.53 0.11 -1.26 -4.96 120.40 116.47 3dh3 s VAL 51 Ca 0.54 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3dh3 s VAL 51 Cb -0.33 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.94 3dh3 s VAL 51 CO 0.69 0.50 -0.18 -0.69 -3.33 0.00 0.00 175.10 172.09 3dh3 s VAL 52 N 0.49 2.45 -0.08 2.04 1.01 -1.26 -0.33 120.40 124.73 3dh3 s VAL 52 Ca -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3dh3 s VAL 52 Cb -0.17 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3dh3 s VAL 52 CO 0.06 0.53 -0.14 -0.54 0.00 0.00 0.00 175.10 175.01 3dh3 s LYS 53 N 0.68 1.99 -0.16 2.72 1.02 -0.23 -0.88 119.74 124.88 3dh3 s LYS 53 Ca -0.09 -0.50 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 3dh3 s LYS 53 Cb -0.16 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3dh3 s LYS 53 CO 0.02 0.02 -0.07 0.08 -0.92 0.00 0.00 175.35 174.48 3dh3 s VAL 54 N 0.71 3.49 -1.13 3.17 1.01 -0.59 0.17 120.40 127.24 3dh3 s VAL 54 Ca -0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 3dh3 s VAL 54 Cb -0.16 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3dh3 s VAL 54 CO 0.03 0.49 0.48 0.59 0.00 0.00 0.00 175.10 176.69 3dh3 n ASN 55 N 3.79 -2.71 0.00 3.32 5.03 -0.25 -1.27 115.26 123.17 3dh3 n ASN 55 Ca -0.18 -1.15 0.00 0.00 0.87 0.00 0.00 54.58 54.12 3dh3 n ASN 55 Cb 0.52 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 3dh3 n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dh3 n GLY 56 N -2.06 1.39 3.67 7.41 0.00 -1.26 -4.94 105.19 109.39 3dh3 n GLY 56 Ca -0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3dh3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dh3 s GLN 57 N 0.00 4.22 0.38 1.61 0.74 -0.40 -4.94 119.66 121.28 3dh3 s GLN 57 Ca 0.00 1.96 -0.27 0.00 0.05 0.00 0.00 55.36 57.10 3dh3 s GLN 57 Cb 0.00 -3.83 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 3dh3 s GLN 57 CO 0.00 -0.74 1.34 -1.17 -0.55 0.00 0.00 175.29 174.16 3dh3 s LEU 58 N 3.53 4.28 -0.04 3.68 0.20 -1.26 -1.53 118.68 127.53 3dh3 s LEU 58 Ca 0.65 2.74 0.04 0.00 0.69 0.00 0.00 54.13 58.25 3dh3 s LEU 58 Cb -0.29 -3.80 -0.00 0.00 -0.43 0.00 0.00 46.19 41.67 3dh3 s LEU 58 CO 0.23 -0.79 -0.17 0.27 -0.29 0.00 0.00 176.35 175.60 3dh3 s ILE 59 N -1.20 1.42 0.18 6.68 -4.36 -0.06 -4.92 121.20 118.93 3dh3 s ILE 59 Ca 0.54 -0.71 0.04 0.00 -0.26 0.00 0.00 60.65 60.27 3dh3 s ILE 59 Cb -0.40 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3dh3 s ILE 59 CO 0.52 0.41 0.22 -1.61 0.24 0.00 0.00 174.94 174.72 3dh3 s GLU 60 N 0.06 3.13 0.75 0.37 2.02 -1.26 -4.47 118.70 119.30 3dh3 s GLU 60 Ca -0.04 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 3dh3 s GLU 60 Cb -0.12 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.40 3dh3 s GLU 60 CO 0.02 0.48 1.10 -1.25 0.02 0.00 0.00 175.26 175.63 3dh3 s PRO 61 N -3.34 2.34 0.27 0.39 0.04 -1.26 -4.61 135.00 128.83 3dh3 s PRO 61 Ca 0.33 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 3dh3 s PRO 61 Cb -0.10 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3dh3 s PRO 61 CO 0.26 -1.59 0.85 0.50 0.04 0.00 0.00 177.00 177.06 3dh3 s ARG 62 N -4.70 4.47 0.09 4.56 3.52 -1.26 -5.02 118.95 120.61 3dh3 s ARG 62 Ca 0.63 1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 57.23 3dh3 s ARG 62 Cb -0.18 -2.89 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 3dh3 s ARG 62 CO 0.53 0.36 0.52 -1.21 -0.81 0.00 0.00 175.30 174.68 3dh3 s GLU 63 N -1.91 4.02 0.39 5.12 0.41 -1.26 -4.96 118.70 120.51 3dh3 s GLU 63 Ca 0.46 0.53 0.19 0.00 -0.41 0.00 0.00 54.97 55.74 3dh3 s GLU 63 Cb -0.19 -3.08 1.14 0.00 -1.78 0.00 0.00 34.13 30.22 3dh3 s GLU 63 CO 0.23 0.57 1.73 0.00 -0.49 0.00 0.00 175.26 177.31 3dh3 h ALA 64 N 4.08 2.26 -0.00 5.21 0.00 -2.01 0.48 119.26 129.26 3dh3 h ALA 64 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dh3 h ALA 64 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dh3 h ALA 64 CO 0.64 -0.72 -0.04 0.39 0.00 0.00 0.00 179.25 179.52 3dh3 n GLU 65 N -4.69 0.94 0.00 0.00 4.71 -1.26 -3.08 120.64 117.26 3dh3 n GLU 65 Ca 0.28 -0.26 0.14 0.00 -0.01 0.00 0.00 57.16 57.30 3dh3 n GLU 65 Cb 0.97 -1.49 0.53 0.00 -1.01 0.00 0.00 31.44 30.43 3dh3 n GLU 65 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3dh3 n ASP 66 N -0.80 0.13 -4.58 1.62 10.43 0.17 -4.90 116.55 118.62 3dh3 n ASP 66 Ca 0.18 0.29 -0.46 0.00 2.57 0.00 0.00 54.79 57.37 3dh3 n ASP 66 Cb 0.23 -0.31 -0.02 0.00 1.84 0.00 0.00 41.12 42.86 3dh3 n ASP 66 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3dh3 n LEU 67 N -1.49 1.59 -4.12 0.64 7.94 -1.18 -4.99 117.00 115.40 3dh3 n LEU 67 Ca 0.07 1.16 -0.29 0.00 -1.11 0.00 0.00 56.01 55.84 3dh3 n LEU 67 Cb 0.34 -1.25 -0.17 0.00 0.53 0.00 0.00 43.42 42.87 3dh3 n LEU 67 CO 0.29 -1.42 -0.51 -0.69 -1.11 0.00 0.00 177.39 173.94 3dh3 s VAL 68 N -0.73 1.64 -0.33 1.96 1.01 -1.26 -5.03 120.40 117.66 3dh3 s VAL 68 Ca 0.64 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3dh3 s VAL 68 Cb -0.76 -1.45 0.16 0.00 0.00 0.00 0.00 36.38 34.33 3dh3 s VAL 68 CO 0.57 0.47 0.42 -0.22 0.00 0.00 0.00 175.10 176.34 3dh3 s LEU 69 N 0.61 -0.66 0.20 3.92 2.96 -1.26 -2.84 118.68 121.61 3dh3 s LEU 69 Ca -0.14 -0.78 0.10 0.00 -0.22 0.00 0.00 54.13 53.09 3dh3 s LEU 69 Cb -0.16 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.53 3dh3 s LEU 69 CO 0.04 -0.31 -0.17 0.27 -1.32 0.00 0.00 176.35 174.87 3dh3 s ILE 70 N 2.15 2.74 -0.12 6.68 -4.36 -0.40 -2.47 121.20 125.41 3dh3 s ILE 70 Ca 0.12 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 3dh3 s ILE 70 Cb -0.12 -2.35 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 3dh3 s ILE 70 CO -0.20 -0.16 -0.20 0.00 0.24 0.00 0.00 174.94 174.62 3dh3 s ALA 71 N -1.81 2.32 -0.07 2.27 0.00 0.76 -1.01 121.76 124.22 3dh3 s ALA 71 Ca 0.24 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3dh3 s ALA 71 Cb -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 3dh3 s ALA 71 CO 0.13 0.18 -0.19 -1.17 0.00 0.00 0.00 175.76 174.71 3dh3 s LEU 72 N 0.49 2.41 -0.88 0.00 2.96 0.13 -1.90 118.68 121.88 3dh3 s LEU 72 Ca -0.13 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 3dh3 s LEU 72 Cb -0.17 -1.48 0.10 0.00 0.50 0.00 0.00 46.19 45.15 3dh3 s LEU 72 CO 0.05 0.26 1.14 0.21 -1.32 0.00 0.00 176.35 176.70 3dh3 s ASN 73 N -0.24 6.51 -0.12 3.68 3.84 -0.16 -1.10 114.94 127.35 3dh3 s ASN 73 Ca -0.00 -1.71 -0.30 0.00 0.21 0.00 0.00 52.86 51.07 3dh3 s ASN 73 Cb -0.13 -2.43 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 3dh3 s ASN 73 CO 0.03 -1.22 1.23 -0.75 -2.79 0.00 0.00 177.10 173.60 3dh3 s LYS 74 N 3.38 4.29 0.65 0.43 2.20 0.71 -0.60 119.74 130.79 3dh3 s LYS 74 Ca 0.33 1.66 -0.11 0.00 -0.36 0.00 0.00 55.97 57.49 3dh3 s LYS 74 Cb -0.07 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3dh3 s LYS 74 CO -0.05 -0.59 1.04 -1.25 -0.36 0.00 0.00 175.35 174.14 3dh3 s PRO 75 N 2.91 3.31 0.50 4.03 0.04 -1.26 -1.02 135.00 143.52 3dh3 s PRO 75 Ca 0.55 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 3dh3 s PRO 75 Cb -0.23 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3dh3 s PRO 75 CO 0.18 -0.73 1.30 0.28 0.04 0.00 0.00 177.00 178.07 3dh3 n VAL 76 N -2.82 3.29 0.00 -0.36 0.31 -1.26 -3.29 118.33 114.20 3dh3 n VAL 76 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3dh3 n VAL 76 Cb 0.55 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3dh3 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dh3 n GLY 77 N 0.80 2.57 3.76 2.92 0.00 0.46 -5.01 105.19 110.68 3dh3 n GLY 77 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3dh3 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh3 s ILE 78 N -2.54 4.71 -0.11 -0.61 1.09 -1.21 -4.91 121.20 117.62 3dh3 s ILE 78 Ca 0.00 1.50 -0.09 0.00 -1.10 0.00 0.00 60.65 60.96 3dh3 s ILE 78 Cb 0.00 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 3dh3 s ILE 78 CO 0.00 0.43 0.18 -0.69 -0.10 0.00 0.00 174.94 174.76 3dh3 s VAL 79 N -0.42 5.43 -1.19 2.92 1.01 -0.52 -4.23 120.40 123.40 3dh3 s VAL 79 Ca 0.35 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 3dh3 s VAL 79 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3dh3 s VAL 79 CO 0.22 0.59 2.76 -1.20 0.00 0.00 0.00 175.10 177.46 3dh3 n SER 80 N 2.18 7.83 -4.26 3.32 7.64 -1.26 -0.71 113.62 128.35 3dh3 n SER 80 Ca -0.18 -2.89 -0.20 0.00 1.01 0.00 0.00 58.87 56.60 3dh3 n SER 80 Cb 0.54 -1.42 -0.12 0.00 -1.01 0.00 0.00 64.21 62.21 3dh3 n SER 80 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3dh3 s THR 81 N 0.04 1.51 -1.25 0.44 -1.32 -1.26 -4.82 115.64 108.98 3dh3 s THR 81 Ca 0.61 -1.65 0.23 0.00 -1.21 0.00 0.00 61.69 59.67 3dh3 s THR 81 Cb 0.22 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 3dh3 s THR 81 CO -0.09 -0.27 1.19 0.35 -2.21 0.00 0.00 174.62 173.59 3dh3 n THR 82 N 0.74 0.00 -2.68 5.08 -2.24 -1.26 -3.47 114.28 110.45 3dh3 n THR 82 Ca -0.17 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3dh3 n THR 82 Cb 0.56 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 3dh3 n THR 82 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3dh3 s GLU 83 N -2.86 4.23 0.08 -0.78 -1.05 -1.26 -4.95 118.70 112.11 3dh3 s GLU 83 Ca 0.13 1.34 -0.17 0.00 -0.15 0.00 0.00 54.97 56.11 3dh3 s GLU 83 Cb 0.17 -2.44 -0.10 0.00 -0.44 0.00 0.00 34.13 31.32 3dh3 s GLU 83 CO 0.72 -0.05 1.41 -0.44 0.95 0.00 0.00 175.26 177.85 3dh3 h ASP 84 N 2.37 0.58 -0.72 0.83 3.45 -2.03 -3.24 116.42 117.66 3dh3 h ASP 84 Ca -0.48 -0.46 0.12 0.00 0.43 0.00 0.00 57.03 56.64 3dh3 h ASP 84 Cb 1.20 -0.16 -0.12 0.00 -0.56 0.00 0.00 39.33 39.69 3dh3 h ASP 84 CO 0.62 0.92 -0.26 0.61 -1.57 0.00 0.00 179.24 179.56 3dh3 n GLY 85 N 0.12 -1.44 3.63 2.75 0.00 -1.26 -4.19 105.19 104.80 3dh3 n GLY 85 Ca -0.05 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 3dh3 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dh3 s GLU 86 N -5.73 3.80 0.40 1.61 2.56 -1.23 -4.89 118.70 115.22 3dh3 s GLU 86 Ca -0.10 1.51 0.10 0.00 0.00 0.00 0.00 54.97 56.48 3dh3 s GLU 86 Cb 0.16 -4.00 0.82 0.00 2.00 0.00 0.00 34.13 33.10 3dh3 s GLU 86 CO 0.53 -1.29 1.93 0.07 -0.56 0.00 0.00 175.26 175.94 3dh3 h ARG 87 N 10.44 0.19 -0.96 4.30 0.11 -1.89 -2.68 114.38 123.89 3dh3 h ARG 87 Ca -0.31 -0.04 -0.53 0.00 0.10 0.00 0.00 59.98 59.19 3dh3 h ARG 87 Cb 1.14 -0.03 -0.30 0.00 1.11 0.00 0.00 29.97 31.89 3dh3 h ARG 87 CO 1.01 0.34 0.65 -0.25 0.10 0.00 0.00 179.97 181.83 3dh3 n ASP 88 N -4.28 4.47 -4.76 0.08 8.00 -1.26 -4.95 116.55 113.84 3dh3 n ASP 88 Ca -0.01 -3.66 -0.38 0.00 0.71 0.00 0.00 54.79 51.46 3dh3 n ASP 88 Cb 0.27 -0.85 0.01 0.00 -0.02 0.00 0.00 41.12 40.52 3dh3 n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dh3 s ASN 89 N -1.49 5.88 0.44 -2.24 2.20 -1.01 -1.44 114.94 117.28 3dh3 s ASN 89 Ca 0.58 2.46 0.16 0.00 -0.94 0.00 0.00 52.86 55.12 3dh3 s ASN 89 Cb 0.48 -2.61 1.00 0.00 -2.00 0.00 0.00 41.25 38.12 3dh3 s ASN 89 CO 0.08 -1.13 1.97 -0.29 -2.94 0.00 0.00 177.10 174.79 3dh3 h ILE 90 N 1.75 1.08 -0.10 0.54 2.10 -0.95 -2.63 117.51 119.31 3dh3 h ILE 90 Ca -0.50 -0.74 -0.03 0.00 1.08 0.00 0.00 64.86 64.67 3dh3 h ILE 90 Cb 1.26 1.41 -0.00 0.00 -1.09 0.00 0.00 36.82 38.40 3dh3 h ILE 90 CO 0.59 0.21 -0.04 0.58 -1.08 0.00 0.00 178.15 178.41 3dh3 h VAL 91 N 0.00 1.32 0.00 2.19 2.07 -1.85 -2.10 116.25 117.87 3dh3 h VAL 91 Ca -0.00 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 3dh3 h VAL 91 Cb 0.39 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3dh3 h VAL 91 CO 0.03 0.30 -0.40 0.44 0.02 0.00 0.00 177.57 177.95 3dh3 h ASP 92 N -0.16 0.00 -0.21 0.57 3.32 -1.89 -0.42 116.42 117.63 3dh3 h ASP 92 Ca 0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3dh3 h ASP 92 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3dh3 h ASP 92 CO 0.01 0.40 0.03 0.15 -1.72 0.00 0.00 179.24 178.12 3dh3 h PHE 93 N 0.00 0.37 0.00 4.55 3.04 -1.22 -2.84 116.94 120.84 3dh3 h PHE 93 Ca -0.00 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.77 3dh3 h PHE 93 Cb 0.75 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 3dh3 h PHE 93 CO 0.00 0.49 -0.60 -0.39 -2.02 0.00 0.00 178.31 175.79 3dh3 h VAL 94 N 0.14 1.31 -6.56 1.41 -1.51 -1.22 -3.47 116.25 106.35 3dh3 h VAL 94 Ca 0.06 -2.13 -0.51 0.00 -1.23 0.00 0.00 66.70 62.89 3dh3 h VAL 94 Cb 0.32 2.19 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 3dh3 h VAL 94 CO 0.00 0.59 -0.93 -3.20 -1.23 0.00 0.00 177.57 172.80 3dh3 n ASN 95 N -3.65 -1.90 -4.79 4.19 4.05 -0.18 -4.91 115.26 108.06 3dh3 n ASN 95 Ca -0.01 -1.08 -0.32 0.00 0.45 0.00 0.00 54.58 53.62 3dh3 n ASN 95 Cb 0.63 -2.77 0.06 0.00 1.23 0.00 0.00 39.78 38.93 3dh3 n ASN 95 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 3dh3 s HIS 96 N -3.83 2.80 0.19 1.20 2.46 -1.26 -4.96 115.29 111.89 3dh3 s HIS 96 Ca 0.18 1.51 -0.01 0.00 0.47 0.00 0.00 55.06 57.21 3dh3 s HIS 96 Cb -0.08 -3.02 0.12 0.00 -0.13 0.00 0.00 32.58 29.47 3dh3 s HIS 96 CO 0.91 -1.51 1.49 0.66 -2.47 0.00 0.00 174.74 173.82 3dh3 h SER 97 N -0.51 0.51 -2.36 9.88 4.64 -1.99 -3.45 113.55 120.27 3dh3 h SER 97 Ca -0.45 -0.30 -0.46 0.00 -0.47 0.00 0.00 61.79 60.12 3dh3 h SER 97 Cb 1.23 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3dh3 h SER 97 CO 0.54 1.01 -0.26 -0.54 -0.87 0.00 0.00 176.83 176.71 3dh3 s LYS 98 N -3.83 3.26 -0.00 4.77 1.02 -1.26 -5.06 119.74 118.63 3dh3 s LYS 98 Ca -0.06 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3dh3 s LYS 98 Cb 0.11 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 3dh3 s LYS 98 CO 0.83 0.07 1.48 0.50 -0.92 0.00 0.00 175.35 177.32 3dh3 s ARG 99 N -4.27 4.25 0.04 1.68 3.52 -1.26 -5.01 118.95 117.90 3dh3 s ARG 99 Ca 0.42 2.06 -0.01 0.00 -0.13 0.00 0.00 55.73 58.07 3dh3 s ARG 99 Cb -0.10 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 3dh3 s ARG 99 CO 0.34 -0.66 -0.02 0.14 -0.81 0.00 0.00 175.30 174.28 3dh3 s VAL 100 N 2.77 0.16 0.10 7.11 -7.23 -1.26 -4.44 120.40 117.61 3dh3 s VAL 100 Ca 0.67 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3dh3 s VAL 100 Cb -0.33 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3dh3 s VAL 100 CO 0.27 -0.75 -0.11 0.72 -0.31 0.00 0.00 175.10 174.92 3dh3 s PHE 101 N -2.71 1.15 0.19 2.82 -0.12 0.13 -4.90 117.98 114.54 3dh3 s PHE 101 Ca -0.04 -0.60 -0.30 0.00 -0.05 0.00 0.00 56.93 55.93 3dh3 s PHE 101 Cb -0.01 -0.62 -0.08 0.00 -0.63 0.00 0.00 43.02 41.68 3dh3 s PHE 101 CO -0.06 0.04 0.95 -1.25 -0.05 0.00 0.00 175.22 174.85 3dh3 s PRO 102 N -2.60 4.79 -0.41 1.99 0.04 -1.26 -0.24 135.00 137.31 3dh3 s PRO 102 Ca 0.05 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 3dh3 s PRO 102 Cb -0.04 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3dh3 s PRO 102 CO 0.01 0.39 1.00 0.42 0.04 0.00 0.00 177.00 178.86 3dh3 s ILE 103 N -0.69 4.45 0.01 0.56 1.01 -0.57 -4.83 121.20 121.14 3dh3 s ILE 103 Ca 0.43 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3dh3 s ILE 103 Cb -0.25 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.78 3dh3 s ILE 103 CO 0.31 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 175.14 3dh3 n GLY 104 N 4.58 -2.10 2.94 6.18 0.00 -1.26 -4.47 105.19 111.06 3dh3 n GLY 104 Ca 0.09 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 3dh3 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dh3 s ARG 105 N -0.39 0.11 0.22 1.61 0.52 -1.26 -5.00 118.95 114.75 3dh3 s ARG 105 Ca 0.00 0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 55.62 3dh3 s ARG 105 Cb 0.00 -0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.23 3dh3 s ARG 105 CO 0.00 -0.24 0.62 -0.51 0.02 0.00 0.00 175.30 175.19 3dh3 s LEU 106 N 1.86 4.24 0.69 2.53 1.43 -1.26 -5.05 118.68 123.12 3dh3 s LEU 106 Ca -0.03 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.06 3dh3 s LEU 106 Cb -0.12 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3dh3 s LEU 106 CO -0.07 -0.01 1.27 -1.81 0.23 0.00 0.00 176.35 175.96 3dh3 s ASP 107 N -1.96 4.32 0.16 2.29 1.01 -1.26 -4.17 116.67 117.06 3dh3 s ASP 107 Ca 0.44 2.56 -0.17 0.00 0.71 0.00 0.00 52.55 56.09 3dh3 s ASP 107 Cb -0.13 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.27 3dh3 s ASP 107 CO 0.20 -2.19 1.70 0.50 0.21 0.00 0.00 175.17 175.58 3dh3 h LYS 108 N 0.15 0.09 -0.00 8.23 3.64 -1.95 -1.27 116.57 125.46 3dh3 h LYS 108 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dh3 h LYS 108 Cb 1.33 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3dh3 h LYS 108 CO 0.51 0.06 -0.00 -0.40 -2.27 0.00 0.00 179.45 177.34 3dh3 n ASP 109 N -5.19 0.01 -4.91 4.20 3.85 -1.26 -0.41 116.55 112.84 3dh3 n ASP 109 Ca 0.02 -0.21 -0.21 0.00 -0.71 0.00 0.00 54.79 53.67 3dh3 n ASP 109 Cb 0.19 -0.26 0.05 0.00 -1.35 0.00 0.00 41.12 39.75 3dh3 n ASP 109 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3dh3 s SER 110 N -2.53 5.06 0.19 -1.12 0.01 -0.48 -4.70 113.70 110.14 3dh3 s SER 110 Ca 0.30 -0.23 -0.22 0.00 1.31 0.00 0.00 55.95 57.10 3dh3 s SER 110 Cb 0.20 -0.51 0.06 0.00 0.21 0.00 0.00 66.02 65.98 3dh3 s SER 110 CO 0.46 -1.30 0.63 0.00 0.41 0.00 0.00 173.24 173.43 3dh3 s GLN 111 N -4.80 1.41 0.00 12.44 -2.07 -0.10 -4.06 119.66 122.48 3dh3 s GLN 111 Ca 0.60 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3dh3 s GLN 111 Cb -0.09 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 3dh3 s GLN 111 CO 0.39 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 3dh3 n GLY 112 N -0.40 0.49 3.75 2.60 0.00 -0.18 -0.92 105.19 110.53 3dh3 n GLY 112 Ca -0.14 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 3dh3 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dh3 s LEU 113 N 0.00 4.50 -0.23 0.99 2.96 0.04 -0.21 118.68 126.72 3dh3 s LEU 113 Ca 0.00 2.35 -0.18 0.00 -0.22 0.00 0.00 54.13 56.09 3dh3 s LEU 113 Cb 0.00 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.13 3dh3 s LEU 113 CO 0.00 -0.30 0.59 -0.51 -1.32 0.00 0.00 176.35 174.81 3dh3 s ILE 114 N -0.82 -0.00 0.34 6.68 2.07 -0.26 -4.82 121.20 124.38 3dh3 s ILE 114 Ca 0.48 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.61 3dh3 s ILE 114 Cb -0.34 -0.84 -0.08 0.00 0.13 0.00 0.00 42.46 41.34 3dh3 s ILE 114 CO 0.42 0.01 0.71 -0.36 -1.91 0.00 0.00 174.94 173.81 3dh3 s PHE 115 N 0.84 3.42 0.06 3.50 2.99 -1.26 -0.70 117.98 126.82 3dh3 s PHE 115 Ca -0.04 1.09 0.06 0.00 0.00 0.00 0.00 56.93 58.03 3dh3 s PHE 115 Cb -0.05 -2.45 -0.03 0.00 0.00 0.00 0.00 43.02 40.50 3dh3 s PHE 115 CO -0.07 0.05 -0.16 -0.51 -0.00 0.00 0.00 175.22 174.54 3dh3 s LEU 116 N -3.27 2.22 0.17 -0.37 1.02 -0.18 -1.51 118.68 116.76 3dh3 s LEU 116 Ca 0.52 -0.55 -0.10 0.00 0.02 0.00 0.00 54.13 54.02 3dh3 s LEU 116 Cb -0.10 -0.65 -0.00 0.00 0.02 0.00 0.00 46.19 45.45 3dh3 s LEU 116 CO 0.23 0.01 0.33 0.28 0.02 0.00 0.00 176.35 177.22 3dh3 s THR 117 N -1.02 0.06 -1.16 5.49 -1.32 0.67 -1.28 115.64 117.08 3dh3 s THR 117 Ca 0.02 -1.29 0.10 0.00 -1.21 0.00 0.00 61.69 59.30 3dh3 s THR 117 Cb -0.09 -1.81 0.12 0.00 -1.51 0.00 0.00 72.50 69.21 3dh3 s THR 117 CO 0.02 -0.26 0.90 -0.46 -2.21 0.00 0.00 174.62 172.61 3dh3 n ASN 118 N -0.24 2.03 -4.17 8.08 6.94 -1.13 0.21 115.26 126.98 3dh3 n ASN 118 Ca -0.08 -1.53 -0.39 0.00 -0.02 0.00 0.00 54.58 52.56 3dh3 n ASN 118 Cb 0.63 -0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.92 3dh3 n ASN 118 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3dh3 s HIS 119 N -0.86 3.49 -2.00 -2.53 2.46 -1.26 -4.93 115.29 109.65 3dh3 s HIS 119 Ca 0.13 -2.19 0.17 0.00 0.47 0.00 0.00 55.06 53.64 3dh3 s HIS 119 Cb 0.09 -3.40 0.99 0.00 -0.13 0.00 0.00 32.58 30.13 3dh3 s HIS 119 CO 0.13 -0.96 1.41 0.41 -2.47 0.00 0.00 174.74 173.26 3dh3 n GLY 120 N 4.48 -0.60 0.08 1.59 0.00 -1.26 -2.68 105.19 106.80 3dh3 n GLY 120 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3dh3 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dh3 h ASP 121 N 0.00 0.00 0.57 1.61 3.32 -2.02 -3.32 116.42 116.59 3dh3 h ASP 121 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3dh3 h ASP 121 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dh3 h ASP 121 CO 0.00 0.92 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.88 3dh3 h LEU 122 N 0.00 0.00 -0.03 1.55 3.38 -1.96 -3.33 115.31 114.92 3dh3 h LEU 122 Ca -0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dh3 h LEU 122 Cb 1.82 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.52 3dh3 h LEU 122 CO 0.10 0.49 -0.44 0.58 0.09 0.00 0.00 178.44 179.25 3dh3 h VAL 123 N 0.00 0.00 0.00 1.22 2.07 -1.74 -0.01 116.25 117.79 3dh3 h VAL 123 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dh3 h VAL 123 Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3dh3 h VAL 123 CO 0.06 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.43 3dh3 h ASN 124 N -0.53 0.00 -0.18 0.57 2.35 -1.80 -1.67 115.58 114.32 3dh3 h ASN 124 Ca 0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.55 3dh3 h ASN 124 Cb 0.59 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.96 3dh3 h ASN 124 CO -0.31 0.00 -0.74 0.11 -1.65 0.00 0.00 177.43 174.84 3dh3 h LYS 125 N 0.00 0.81 0.05 0.81 1.57 -1.37 -2.15 116.57 116.29 3dh3 h LYS 125 Ca 0.00 -0.64 -0.24 0.00 -1.87 0.00 0.00 60.65 57.91 3dh3 h LYS 125 Cb 0.66 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3dh3 h LYS 125 CO 0.00 1.25 -1.04 0.82 -0.57 0.00 0.00 179.45 179.91 3dh3 h ILE 126 N 0.56 1.49 0.12 1.86 2.04 -0.83 -3.37 117.51 119.38 3dh3 h ILE 126 Ca -0.04 -2.80 -0.33 0.00 1.00 0.00 0.00 64.86 62.69 3dh3 h ILE 126 Cb 1.37 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 3dh3 h ILE 126 CO 0.15 0.82 -1.70 -0.07 0.00 0.00 0.00 178.15 177.35 3dh3 h LEU 127 N 0.12 0.41 -9.55 1.44 4.07 -1.32 -3.43 115.31 107.05 3dh3 h LEU 127 Ca -0.09 -0.67 -0.53 0.00 0.08 0.00 0.00 57.88 56.68 3dh3 h LEU 127 Cb 1.72 -0.13 0.04 0.00 1.08 0.00 0.00 40.66 43.36 3dh3 h LEU 127 CO 0.17 1.57 0.94 -0.13 -1.08 0.00 0.00 178.44 179.91 3dh3 s ARG 128 N -2.59 4.20 0.29 1.13 0.52 -0.81 -4.80 118.95 116.89 3dh3 s ARG 128 Ca -0.13 2.37 0.04 0.00 -0.52 0.00 0.00 55.73 57.49 3dh3 s ARG 128 Cb 0.07 -3.33 0.71 0.00 0.52 0.00 0.00 34.95 32.91 3dh3 s ARG 128 CO 0.83 -0.67 1.74 0.00 0.02 0.00 0.00 175.30 177.22 3dh3 h ALA 129 N 7.43 1.51 -0.86 2.13 0.00 -1.92 0.20 119.26 127.75 3dh3 h ALA 129 Ca -0.43 0.12 0.25 0.00 0.00 0.00 0.00 54.91 54.85 3dh3 h ALA 129 Cb 1.20 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3dh3 h ALA 129 CO 0.92 -0.19 0.65 0.78 0.00 0.00 0.00 179.25 181.41 3dh3 h GLY 130 N 0.58 0.00 -0.22 0.00 0.00 -1.89 0.08 103.07 101.62 3dh3 h GLY 130 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3dh3 h GLY 130 CO -0.44 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.80 3dh3 n ASN 131 N -4.16 1.22 -3.91 0.19 3.02 0.70 -4.94 115.26 107.39 3dh3 n ASN 131 Ca 0.18 -1.43 -0.36 0.00 -0.03 0.00 0.00 54.58 52.94 3dh3 n ASN 131 Cb 0.96 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 40.14 3dh3 n ASN 131 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dh3 n ASP 132 N -0.04 -3.59 -4.44 6.41 2.03 0.02 -4.95 116.55 111.99 3dh3 n ASP 132 Ca 0.20 -1.13 -0.33 0.00 0.52 0.00 0.00 54.79 54.04 3dh3 n ASP 132 Cb 0.30 -2.60 -0.13 0.00 -0.72 0.00 0.00 41.12 37.97 3dh3 n ASP 132 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3dh3 s HIS 133 N -3.64 2.92 0.02 -0.67 3.76 -1.26 -5.07 115.29 111.35 3dh3 s HIS 133 Ca 0.37 -0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 3dh3 s HIS 133 Cb -0.16 -1.90 -0.06 0.00 1.11 0.00 0.00 32.58 31.57 3dh3 s HIS 133 CO 0.92 -0.10 0.53 -1.83 -0.85 0.00 0.00 174.74 173.41 3dh3 s GLU 134 N 0.31 4.18 -0.05 1.40 -1.05 -1.26 -4.30 118.70 117.94 3dh3 s GLU 134 Ca -0.07 0.64 0.04 0.00 -0.15 0.00 0.00 54.97 55.43 3dh3 s GLU 134 Cb -0.15 -3.28 -0.00 0.00 -0.44 0.00 0.00 34.13 30.26 3dh3 s GLU 134 CO 0.04 0.55 -0.16 -1.59 0.95 0.00 0.00 175.26 175.04 3dh3 s LYS 135 N -0.74 1.76 -0.11 -4.83 0.00 0.44 -0.32 119.74 115.94 3dh3 s LYS 135 Ca 0.28 -0.58 0.01 0.00 0.00 0.00 0.00 55.97 55.68 3dh3 s LYS 135 Cb -0.18 -1.52 -0.02 0.00 0.00 0.00 0.00 37.83 36.11 3dh3 s LYS 135 CO 0.17 0.21 -0.12 -2.00 0.00 0.00 0.00 175.35 173.60 3dh3 s GLU 136 N 0.13 3.12 0.00 1.78 2.12 0.67 -1.24 118.70 125.29 3dh3 s GLU 136 Ca -0.05 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.67 3dh3 s GLU 136 Cb -0.12 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 3dh3 s GLU 136 CO 0.02 0.36 -0.17 0.71 -0.54 0.00 0.00 175.26 175.64 3dh3 s TYR 137 N -0.03 1.55 -0.26 5.30 1.51 -0.27 -0.81 117.35 124.34 3dh3 s TYR 137 Ca -0.03 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 3dh3 s TYR 137 Cb -0.14 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 3dh3 s TYR 137 CO 0.04 0.00 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.31 3dh3 s LEU 138 N -0.64 3.35 -0.08 -1.29 2.96 0.17 -0.59 118.68 122.56 3dh3 s LEU 138 Ca 0.06 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3dh3 s LEU 138 Cb -0.07 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3dh3 s LEU 138 CO 0.00 -0.12 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.98 3dh3 s VAL 139 N 1.42 2.02 -0.11 1.68 1.01 0.62 -1.83 120.40 125.21 3dh3 s VAL 139 Ca 0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 3dh3 s VAL 139 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3dh3 s VAL 139 CO -0.02 0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 174.69 3dh3 s THR 140 N 0.19 3.76 0.28 3.92 2.01 -0.18 -0.78 115.64 124.84 3dh3 s THR 140 Ca -0.14 -0.43 0.08 0.00 0.31 0.00 0.00 61.69 61.51 3dh3 s THR 140 Cb -0.17 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 3dh3 s THR 140 CO 0.07 0.54 -0.11 0.68 -0.69 0.00 0.00 174.62 175.12 3dh3 s VAL 141 N -0.18 1.91 -0.02 3.82 -7.23 -0.18 0.68 120.40 119.21 3dh3 s VAL 141 Ca 0.03 -2.20 -0.21 0.00 -1.81 0.00 0.00 61.98 57.78 3dh3 s VAL 141 Cb -0.13 -2.38 -0.13 0.00 0.56 0.00 0.00 36.38 34.29 3dh3 s VAL 141 CO 0.03 -0.36 0.94 -2.24 -0.31 0.00 0.00 175.10 173.16 3dh3 h ASP 142 N 2.28 -0.45 -4.42 4.85 2.03 -1.67 -3.46 116.42 115.58 3dh3 h ASP 142 Ca -0.40 -0.11 -0.49 0.00 -0.73 0.00 0.00 57.03 55.30 3dh3 h ASP 142 Cb 1.24 0.12 0.08 0.00 -0.83 0.00 0.00 39.33 39.93 3dh3 h ASP 142 CO 0.66 -0.02 0.39 -0.54 -1.03 0.00 0.00 179.24 178.70 3dh3 s LYS 143 N -3.97 2.76 0.26 4.15 1.02 -1.26 -5.04 119.74 117.65 3dh3 s LYS 143 Ca -0.12 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 3dh3 s LYS 143 Cb 0.01 -2.03 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 3dh3 s LYS 143 CO 0.41 -1.07 1.00 -2.14 -0.92 0.00 0.00 175.35 172.63 3dh3 s PRO 144 N -5.35 4.77 -0.34 -1.68 0.02 -1.26 -4.78 135.00 126.37 3dh3 s PRO 144 Ca 0.58 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 3dh3 s PRO 144 Cb -0.11 -3.24 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3dh3 s PRO 144 CO 0.51 0.40 1.42 0.42 -0.33 0.00 0.00 177.00 179.42 3dh3 s ILE 145 N -1.18 3.93 0.60 2.83 1.01 -0.24 -5.02 121.20 123.14 3dh3 s ILE 145 Ca 0.42 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.07 3dh3 s ILE 145 Cb -0.28 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.15 3dh3 s ILE 145 CO 0.36 -0.57 0.86 0.42 0.00 0.00 0.00 174.94 176.00 3dh3 s THR 146 N 5.10 2.53 -0.12 2.92 -4.23 -1.26 -4.99 115.64 115.58 3dh3 s THR 146 Ca 0.62 -0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 3dh3 s THR 146 Cb -0.17 -2.99 -0.26 0.00 1.34 0.00 0.00 72.50 70.41 3dh3 s THR 146 CO 0.29 0.00 0.81 -0.33 -0.54 0.00 0.00 174.62 174.85 3dh3 h GLU 147 N -0.16 0.04 -0.23 3.99 5.08 -1.98 -1.99 114.58 119.32 3dh3 h GLU 147 Ca -0.43 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3dh3 h GLU 147 Cb 1.30 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3dh3 h GLU 147 CO 0.55 1.01 -0.06 -1.91 -1.00 0.00 0.00 179.01 177.60 3dh3 n GLU 148 N -4.55 -0.03 0.17 2.33 4.07 -1.26 0.40 120.64 121.78 3dh3 n GLU 148 Ca -0.10 0.36 -0.07 0.00 -0.06 0.00 0.00 57.16 57.29 3dh3 n GLU 148 Cb 0.52 -0.54 -0.03 0.00 -0.06 0.00 0.00 31.44 31.32 3dh3 n GLU 148 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3dh3 h PHE 149 N 0.00 -0.44 -0.93 4.31 3.57 -1.94 -2.47 116.94 119.04 3dh3 h PHE 149 Ca 0.11 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.77 3dh3 h PHE 149 Cb 0.16 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 38.95 3dh3 h PHE 149 CO -0.18 -0.28 0.51 0.82 -2.23 0.00 0.00 178.31 176.95 3dh3 h ILE 150 N -0.77 0.68 0.71 1.41 2.04 -0.17 -0.11 117.51 121.29 3dh3 h ILE 150 Ca -0.05 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3dh3 h ILE 150 Cb 0.37 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3dh3 h ILE 150 CO 0.08 0.12 -0.34 -0.09 0.00 0.00 0.00 178.15 177.92 3dh3 h ARG 151 N 0.65 -0.91 -0.07 2.37 2.43 -0.16 -1.58 114.38 117.10 3dh3 h ARG 151 Ca 0.53 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.78 3dh3 h ARG 151 Cb 0.83 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3dh3 h ARG 151 CO -0.40 -0.61 0.06 0.78 -1.51 0.00 0.00 179.97 178.30 3dh3 h GLY 152 N -1.19 0.00 1.20 2.80 0.00 -0.99 0.31 103.07 105.20 3dh3 h GLY 152 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.94 3dh3 h GLY 152 CO 0.16 0.00 -1.22 1.98 0.00 0.00 0.00 176.54 177.46 3dh3 h MET 153 N 0.00 0.61 0.00 4.80 1.85 -1.03 -3.18 114.93 117.98 3dh3 h MET 153 Ca 0.03 -0.82 -0.02 0.00 -0.61 0.00 0.00 59.70 58.29 3dh3 h MET 153 Cb 0.16 0.27 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 3dh3 h MET 153 CO -0.00 1.37 -0.09 1.03 -0.40 0.00 0.00 176.91 178.83 3dh3 h SER 154 N 0.25 0.00 -0.42 1.39 0.87 0.03 -3.17 113.55 112.50 3dh3 h SER 154 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3dh3 h SER 154 Cb 1.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 3dh3 h SER 154 CO 0.23 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 3dh3 n ALA 155 N -2.41 2.87 -0.53 6.23 0.00 -0.17 -1.47 120.51 125.03 3dh3 n ALA 155 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3dh3 n ALA 155 Cb 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3dh3 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh3 n GLY 156 N 0.85 -3.71 3.30 0.00 0.00 -1.20 -4.76 105.19 99.67 3dh3 n GLY 156 Ca 0.17 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3dh3 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dh3 s VAL 157 N -0.15 1.91 -0.64 1.61 0.11 -1.24 -4.82 120.40 117.18 3dh3 s VAL 157 Ca 0.00 -1.34 -0.24 0.00 -2.93 0.00 0.00 61.98 57.46 3dh3 s VAL 157 Cb 0.00 -1.65 0.05 0.00 -1.53 0.00 0.00 36.38 33.25 3dh3 s VAL 157 CO 0.00 0.24 1.05 -2.16 -3.33 0.00 0.00 175.10 170.90 3dh3 s PRO 158 N -1.32 3.22 0.00 1.54 0.04 -1.26 -0.54 135.00 136.68 3dh3 s PRO 158 Ca 0.10 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.69 3dh3 s PRO 158 Cb -0.09 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.30 3dh3 s PRO 158 CO 0.02 -1.79 0.00 0.44 0.04 0.00 0.00 177.00 175.72 3dh3 n ILE 159 N 6.16 0.00 -2.36 0.56 -5.35 0.12 -4.85 119.36 113.65 3dh3 n ILE 159 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3dh3 n ILE 159 Cb 0.47 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 3dh3 n ILE 159 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3dh3 n LEU 160 N 0.00 5.82 -2.42 7.28 4.77 -1.26 -4.04 117.00 127.15 3dh3 n LEU 160 Ca 0.00 -4.19 -0.11 0.00 -0.03 0.00 0.00 56.01 51.68 3dh3 n LEU 160 Cb 0.00 -1.66 -0.01 0.00 -2.33 0.00 0.00 43.42 39.42 3dh3 n LEU 160 CO 0.00 0.72 -0.14 0.61 -1.33 0.00 0.00 177.39 177.25 3dh3 n GLY 161 N 4.39 -0.46 0.38 -0.72 0.00 -1.26 -4.85 105.19 102.66 3dh3 n GLY 161 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 3dh3 n GLY 161 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dh3 n THR 162 N -3.27 0.00 -4.44 2.61 5.66 -1.26 -5.17 114.28 108.41 3dh3 n THR 162 Ca -0.13 -0.10 -0.20 0.00 -3.05 0.00 0.00 64.05 60.57 3dh3 n THR 162 Cb 0.60 0.10 -0.15 0.00 -1.55 0.00 0.00 70.33 69.33 3dh3 n THR 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3dh3 s VAL 163 N -2.91 0.83 0.36 1.08 -7.23 -1.26 0.15 120.40 111.42 3dh3 s VAL 163 Ca 0.02 -0.48 -0.28 0.00 -1.81 0.00 0.00 61.98 59.42 3dh3 s VAL 163 Cb -0.00 -0.70 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 3dh3 s VAL 163 CO 0.01 0.21 1.37 0.42 -0.31 0.00 0.00 175.10 176.80 3dh3 s THR 164 N -0.29 2.48 0.33 5.32 -4.23 0.30 -4.85 115.64 114.70 3dh3 s THR 164 Ca 0.04 0.48 -0.29 0.00 -1.18 0.00 0.00 61.69 60.74 3dh3 s THR 164 Cb -0.04 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.38 3dh3 s THR 164 CO -0.00 0.11 1.40 1.17 -0.54 0.00 0.00 174.62 176.76 3dh3 n LYS 165 N 0.60 2.35 -0.82 3.99 4.81 -1.26 -3.72 118.16 124.10 3dh3 n LYS 165 Ca 0.01 0.83 -0.31 0.00 -0.87 0.00 0.00 58.31 57.97 3dh3 n LYS 165 Cb 0.41 -2.49 0.16 0.00 0.02 0.00 0.00 35.03 33.13 3dh3 n LYS 165 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3dh3 s LYS 166 N -1.55 1.11 0.06 1.64 -2.85 -1.26 -4.51 119.74 112.38 3dh3 s LYS 166 Ca 0.58 1.38 -0.24 0.00 -1.00 0.00 0.00 55.97 56.69 3dh3 s LYS 166 Cb -0.54 -1.75 0.08 0.00 -2.06 0.00 0.00 37.83 33.56 3dh3 s LYS 166 CO 0.59 -2.51 1.11 0.00 0.10 0.00 0.00 175.35 174.64 3dh3 s LYS 168 N -2.03 4.33 -0.08 0.00 3.01 -1.22 -4.59 119.74 119.16 3dh3 s LYS 168 Ca 0.26 1.24 -0.01 0.00 -1.01 0.00 0.00 55.97 56.45 3dh3 s LYS 168 Cb -0.02 -3.58 0.03 0.00 -1.01 0.00 0.00 37.83 33.25 3dh3 s LYS 168 CO 0.02 -0.40 -0.03 0.08 0.51 0.00 0.00 175.35 175.53 3dh3 s VAL 169 N 2.36 0.63 -0.04 3.17 1.01 -1.26 -1.08 120.40 125.18 3dh3 s VAL 169 Ca 0.43 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.38 3dh3 s VAL 169 Cb -0.17 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3dh3 s VAL 169 CO 0.13 0.29 -0.11 -0.75 0.00 0.00 0.00 175.10 174.66 3dh3 s LYS 170 N 1.71 1.33 0.53 2.72 2.20 -0.30 -4.96 119.74 122.97 3dh3 s LYS 170 Ca 0.02 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 3dh3 s LYS 170 Cb -0.13 -1.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.96 3dh3 s LYS 170 CO -0.05 0.09 1.04 0.21 -0.36 0.00 0.00 175.35 176.28 3dh3 s LYS 171 N 0.37 3.64 0.07 4.03 2.20 -1.26 -0.09 119.74 128.69 3dh3 s LYS 171 Ca -0.08 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 3dh3 s LYS 171 Cb -0.12 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 3dh3 s LYS 171 CO 0.02 -0.55 0.00 0.39 -0.36 0.00 0.00 175.35 174.84 3dh3 n GLU 172 N -1.49 0.00 -4.42 4.03 -0.58 -0.22 -4.82 120.64 113.15 3dh3 n GLU 172 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.53 3dh3 n GLU 172 Cb 0.53 -0.26 -0.06 0.00 -0.57 0.00 0.00 31.44 31.08 3dh3 n GLU 172 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dh3 s ALA 173 N -2.00 3.98 0.12 0.62 0.00 -0.70 -4.98 121.76 118.80 3dh3 s ALA 173 Ca 0.00 -1.14 0.34 0.00 0.00 0.00 0.00 51.96 51.16 3dh3 s ALA 173 Cb 0.00 -0.21 1.54 0.00 0.00 0.00 0.00 23.12 24.45 3dh3 s ALA 173 CO 0.00 -0.16 2.01 -1.00 0.00 0.00 0.00 175.76 176.61 3dh3 h PRO 174 N 1.28 0.00 -0.00 0.00 0.13 -1.98 -3.15 132.00 128.27 3dh3 h PRO 174 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3dh3 h PRO 174 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3dh3 h PRO 174 CO 0.70 0.00 -0.09 1.19 -0.23 0.00 0.00 178.00 179.57 3dh3 n PHE 175 N -2.91 0.00 -4.66 1.56 3.01 -1.26 -1.08 117.46 112.12 3dh3 n PHE 175 Ca -0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3dh3 n PHE 175 Cb 0.23 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.53 3dh3 n PHE 175 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3dh3 s VAL 176 N -0.87 1.21 0.09 -4.37 1.01 -1.19 -1.01 120.40 115.28 3dh3 s VAL 176 Ca 0.04 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3dh3 s VAL 176 Cb 0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3dh3 s VAL 176 CO 0.12 0.37 -0.13 0.72 0.00 0.00 0.00 175.10 176.17 3dh3 s PHE 177 N 0.45 1.23 -0.11 5.22 -0.12 0.04 -1.05 117.98 123.64 3dh3 s PHE 177 Ca -0.11 -0.53 -0.06 0.00 -0.05 0.00 0.00 56.93 56.17 3dh3 s PHE 177 Cb -0.14 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 3dh3 s PHE 177 CO 0.03 0.07 0.12 0.50 -0.05 0.00 0.00 175.22 175.90 3dh3 s ARG 178 N -2.27 3.38 -0.08 1.99 3.52 0.87 -0.27 118.95 126.09 3dh3 s ARG 178 Ca 0.03 -0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 3dh3 s ARG 178 Cb -0.07 -3.14 0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3dh3 s ARG 178 CO 0.02 0.77 0.18 -1.50 -0.81 0.00 0.00 175.30 173.95 3dh3 s ILE 179 N -1.02 -0.06 -0.19 4.11 2.07 0.24 -1.15 121.20 125.19 3dh3 s ILE 179 Ca 0.15 0.18 -0.03 0.00 -1.41 0.00 0.00 60.65 59.55 3dh3 s ILE 179 Cb -0.12 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 3dh3 s ILE 179 CO 0.04 0.07 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.19 3dh3 s THR 180 N 1.27 3.31 0.28 4.00 2.01 -0.24 -1.11 115.64 125.16 3dh3 s THR 180 Ca -0.09 -0.53 0.10 0.00 0.31 0.00 0.00 61.69 61.48 3dh3 s THR 180 Cb -0.11 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3dh3 s THR 180 CO -0.07 0.46 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.54 3dh3 s LEU 181 N 1.08 3.09 0.00 4.42 1.43 -0.37 -3.43 118.68 124.90 3dh3 s LEU 181 Ca 0.01 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 3dh3 s LEU 181 Cb -0.15 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3dh3 s LEU 181 CO -0.01 -0.03 0.49 0.55 0.23 0.00 0.00 176.35 177.58 3dh3 n VAL 182 N -0.87 0.02 -4.10 -1.59 3.14 -1.26 -0.42 118.33 113.24 3dh3 n VAL 182 Ca -0.06 -0.49 -0.05 0.00 -2.96 0.00 0.00 64.34 60.78 3dh3 n VAL 182 Cb 0.60 1.03 -0.02 0.00 -1.06 0.00 0.00 33.84 34.39 3dh3 n VAL 182 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dh3 n GLN 183 N -0.01 0.71 -2.71 1.45 10.64 -1.26 -4.18 117.38 122.02 3dh3 n GLN 183 Ca 0.00 -0.75 -0.07 0.00 -1.83 0.00 0.00 57.00 54.35 3dh3 n GLN 183 Cb 0.01 0.45 0.07 0.00 -0.86 0.00 0.00 30.24 29.92 3dh3 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dh3 n GLY 184 N 1.31 -0.55 3.69 2.61 0.00 -1.26 -4.96 105.19 106.04 3dh3 n GLY 184 Ca -0.01 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 3dh3 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dh3 s LEU 185 N -0.92 2.27 -0.03 0.99 1.43 -1.26 -4.85 118.68 116.31 3dh3 s LEU 185 Ca 0.27 1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 3dh3 s LEU 185 Cb 0.24 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 3dh3 s LEU 185 CO -0.16 -2.82 2.04 0.21 0.23 0.00 0.00 176.35 175.85 3dh3 s ASN 186 N -3.20 6.18 -1.17 2.29 3.84 -1.26 -1.66 114.94 119.96 3dh3 s ASN 186 Ca 0.64 2.47 -0.05 0.00 0.21 0.00 0.00 52.86 56.14 3dh3 s ASN 186 Cb -0.19 -2.52 0.04 0.00 -0.55 0.00 0.00 41.25 38.02 3dh3 s ASN 186 CO 0.58 -1.29 0.28 0.54 -2.79 0.00 0.00 177.10 174.42 3dh3 n ARG 187 N 7.87 -3.02 -0.31 0.43 1.74 -1.26 -4.85 116.66 117.26 3dh3 n ARG 187 Ca 0.23 0.54 -0.07 0.00 -0.77 0.00 0.00 57.85 57.78 3dh3 n ARG 187 Cb 0.42 -5.21 -0.04 0.00 -1.02 0.00 0.00 32.46 26.61 3dh3 n ARG 187 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3dh3 h GLN 188 N -0.58 -0.11 -0.66 5.56 4.15 -1.66 -0.13 115.11 121.67 3dh3 h GLN 188 Ca -0.37 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.99 3dh3 h GLN 188 Cb 1.26 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 3dh3 h GLN 188 CO 0.44 -0.07 0.16 0.82 -1.93 0.00 0.00 178.83 178.24 3dh3 h ILE 189 N -0.12 1.26 -0.77 2.39 2.04 -1.88 0.13 117.51 120.56 3dh3 h ILE 189 Ca 0.21 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3dh3 h ILE 189 Cb 0.53 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3dh3 h ILE 189 CO -0.83 0.36 0.50 0.03 0.00 0.00 0.00 178.15 178.21 3dh3 h ARG 190 N 0.99 0.98 -0.16 2.37 3.08 -1.44 -0.54 114.38 119.66 3dh3 h ARG 190 Ca 0.21 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 3dh3 h ARG 190 Cb 0.37 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3dh3 h ARG 190 CO 0.00 0.65 -0.57 0.00 -1.07 0.00 0.00 179.97 178.97 3dh3 h ARG 191 N 1.01 0.50 -0.57 0.04 3.08 -0.40 -2.31 114.38 115.73 3dh3 h ARG 191 Ca 0.30 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3dh3 h ARG 191 Cb -0.06 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3dh3 h ARG 191 CO -0.08 0.93 0.20 0.52 -1.07 0.00 0.00 179.97 180.47 3dh3 h MET 192 N 0.38 0.86 -0.47 0.04 2.86 -0.04 -2.62 114.93 115.95 3dh3 h MET 192 Ca 0.00 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3dh3 h MET 192 Cb 1.11 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 3dh3 h MET 192 CO 0.10 0.76 -0.03 0.00 1.06 0.00 0.00 176.91 178.81 3dh3 h GLU 194 N 0.70 1.13 -1.00 0.00 5.08 -1.00 0.74 114.58 120.22 3dh3 h GLU 194 Ca 0.13 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 3dh3 h GLU 194 Cb 0.55 -0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 3dh3 h GLU 194 CO 0.03 0.74 0.62 1.25 -1.00 0.00 0.00 179.01 180.65 3dh3 h HIS 195 N 1.16 1.06 -0.55 4.33 2.76 -1.25 0.13 115.15 122.80 3dh3 h HIS 195 Ca 0.44 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.58 3dh3 h HIS 195 Cb 0.21 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 3dh3 h HIS 195 CO -0.00 0.29 0.08 1.19 -1.30 0.00 0.00 177.93 178.19 3dh3 n PHE 196 N -4.71 1.92 -0.80 5.26 0.99 0.17 -4.92 117.46 115.37 3dh3 n PHE 196 Ca 0.22 -0.77 0.00 0.00 -0.00 0.00 0.00 57.45 56.90 3dh3 n PHE 196 Cb 0.52 -0.51 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 3dh3 n PHE 196 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dh3 n GLY 197 N 0.34 0.96 3.88 1.37 0.00 0.46 -5.00 105.19 107.19 3dh3 n GLY 197 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 3dh3 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dh3 s TYR 198 N -3.29 3.43 -0.06 1.61 1.51 -0.68 -4.92 117.35 114.94 3dh3 s TYR 198 Ca 0.00 0.88 0.03 0.00 -1.01 0.00 0.00 57.07 56.97 3dh3 s TYR 198 Cb 0.00 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 3dh3 s TYR 198 CO 0.00 0.22 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.50 3dh3 s GLU 199 N -2.97 2.03 0.23 -0.62 2.12 -1.26 -2.31 118.70 115.92 3dh3 s GLU 199 Ca 0.48 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3dh3 s GLU 199 Cb -0.11 -1.66 -0.09 0.00 0.26 0.00 0.00 34.13 32.53 3dh3 s GLU 199 CO 0.22 0.15 1.11 0.08 -0.54 0.00 0.00 175.26 176.28 3dh3 s VAL 200 N 0.34 3.63 -0.05 3.70 1.01 -1.26 -1.83 120.40 125.94 3dh3 s VAL 200 Ca -0.11 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.43 3dh3 s VAL 200 Cb -0.15 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 3dh3 s VAL 200 CO 0.04 0.31 0.01 0.29 0.00 0.00 0.00 175.10 175.76 3dh3 n LYS 201 N 1.77 2.93 -3.86 2.72 4.76 0.21 -4.91 118.16 121.78 3dh3 n LYS 201 Ca 0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 3dh3 n LYS 201 Cb 0.45 -1.13 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 3dh3 n LYS 201 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dh3 s LYS 202 N -2.13 0.46 -0.26 1.97 2.20 -0.99 -4.96 119.74 116.03 3dh3 s LYS 202 Ca -0.03 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 3dh3 s LYS 202 Cb 0.02 0.19 0.14 0.00 -1.51 0.00 0.00 37.83 36.67 3dh3 s LYS 202 CO 0.21 -0.11 0.37 -1.17 -0.36 0.00 0.00 175.35 174.29 3dh3 s LEU 203 N -1.22 -0.61 -0.09 5.43 2.96 -1.26 -1.01 118.68 122.88 3dh3 s LEU 203 Ca -0.13 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3dh3 s LEU 203 Cb -0.07 1.01 0.02 0.00 0.50 0.00 0.00 46.19 47.65 3dh3 s LEU 203 CO 0.01 -0.33 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.91 3dh3 s GLU 204 N 2.51 1.73 -0.21 1.98 2.12 -0.76 -0.92 118.70 125.15 3dh3 s GLU 204 Ca 0.11 -0.38 -0.17 0.00 0.36 0.00 0.00 54.97 54.89 3dh3 s GLU 204 Cb -0.14 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 3dh3 s GLU 204 CO -0.22 -0.11 0.44 0.50 -0.54 0.00 0.00 175.26 175.34 3dh3 s ARG 205 N 1.15 4.16 -0.00 4.30 3.52 -0.09 0.46 118.95 132.44 3dh3 s ARG 205 Ca -0.05 0.27 0.14 0.00 -0.13 0.00 0.00 55.73 55.96 3dh3 s ARG 205 Cb -0.14 -3.56 -0.17 0.00 -1.56 0.00 0.00 34.95 29.52 3dh3 s ARG 205 CO -0.02 -0.12 0.53 0.25 -0.81 0.00 0.00 175.30 175.13 3dh3 n THR 206 N 4.53 0.00 -3.64 4.11 -2.24 0.01 -0.78 114.28 116.26 3dh3 n THR 206 Ca -0.07 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 3dh3 n THR 206 Cb 0.51 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 3dh3 n THR 206 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dh3 s ARG 207 N -2.47 0.58 -0.17 -0.78 3.52 -1.16 -1.21 118.95 117.26 3dh3 s ARG 207 Ca 0.03 0.82 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 3dh3 s ARG 207 Cb 0.10 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 3dh3 s ARG 207 CO 0.58 -0.09 -0.15 0.42 -0.81 0.00 0.00 175.30 175.25 3dh3 s ILE 208 N 0.81 1.77 0.00 4.11 1.01 0.40 -0.24 121.20 129.07 3dh3 s ILE 208 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3dh3 s ILE 208 Cb -0.05 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3dh3 s ILE 208 CO -0.10 0.40 0.00 0.23 0.00 0.00 0.00 174.94 175.47 3dh3 n MET 209 N 4.69 0.00 0.03 2.79 2.81 0.56 -0.36 117.12 127.64 3dh3 n MET 209 Ca -0.18 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.84 3dh3 n MET 209 Cb 0.49 0.00 0.42 0.00 -0.71 0.00 0.00 33.22 33.42 3dh3 n MET 209 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dh3 n ASN 210 N 4.17 0.40 -4.75 7.83 6.94 -1.26 -4.86 115.26 123.73 3dh3 n ASN 210 Ca 0.00 0.29 -0.32 0.00 -0.02 0.00 0.00 54.58 54.53 3dh3 n ASN 210 Cb 0.00 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.06 3dh3 n ASN 210 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dh3 s VAL 211 N -3.05 4.46 0.06 3.53 1.01 0.52 -5.03 120.40 121.90 3dh3 s VAL 211 Ca 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3dh3 s VAL 211 Cb 0.16 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3dh3 s VAL 211 CO 0.61 0.25 -0.02 -0.94 0.00 0.00 0.00 175.10 175.01 3dh3 s SER 212 N -1.98 0.49 0.52 3.32 1.04 -1.26 -0.45 113.70 115.37 3dh3 s SER 212 Ca 0.25 -1.03 0.18 0.00 0.48 0.00 0.00 55.95 55.83 3dh3 s SER 212 Cb -0.12 0.21 1.29 0.00 0.10 0.00 0.00 66.02 67.50 3dh3 s SER 212 CO 0.16 -0.61 2.10 -0.07 0.98 0.00 0.00 173.24 175.80 3dh3 h LEU 213 N 3.10 0.02 -9.03 2.42 3.38 -1.46 -3.46 115.31 110.28 3dh3 h LEU 213 Ca -0.34 -0.00 -0.81 0.00 0.09 0.00 0.00 57.88 56.82 3dh3 h LEU 213 Cb 1.15 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.93 3dh3 h LEU 213 CO 0.65 0.01 0.36 -0.24 0.09 0.00 0.00 178.44 179.31 3dh3 n SER 214 N -4.49 0.71 0.00 -0.43 2.88 -1.26 -0.59 113.62 110.43 3dh3 n SER 214 Ca 0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3dh3 n SER 214 Cb 0.24 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3dh3 n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dh3 n GLY 215 N 2.61 0.68 3.24 0.46 0.00 -1.26 -4.98 105.19 105.94 3dh3 n GLY 215 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3dh3 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh3 s ILE 216 N -2.78 4.75 0.79 -0.61 1.01 0.24 -5.06 121.20 119.53 3dh3 s ILE 216 Ca 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 60.65 58.28 3dh3 s ILE 216 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3dh3 s ILE 216 CO 0.00 -0.90 0.74 -0.81 0.00 0.00 0.00 174.94 173.97 3dh3 n PRO 217 N 4.35 0.19 -1.64 2.79 -0.04 -1.26 -4.75 135.00 134.64 3dh3 n PRO 217 Ca 0.02 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.16 3dh3 n PRO 217 Cb 0.42 -2.05 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 3dh3 n PRO 217 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3dh3 n LEU 218 N -1.45 2.56 -0.81 1.53 7.94 -1.26 -2.23 117.00 123.27 3dh3 n LEU 218 Ca 0.11 1.19 -0.10 0.00 -1.11 0.00 0.00 56.01 56.10 3dh3 n LEU 218 Cb 0.51 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.05 3dh3 n LEU 218 CO 0.50 -1.00 -0.10 0.61 -1.11 0.00 0.00 177.39 176.29 3dh3 n GLY 219 N 1.02 0.90 3.36 -3.96 0.00 0.23 -5.00 105.19 101.76 3dh3 n GLY 219 Ca 0.07 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 3dh3 n GLY 219 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dh3 s GLU 220 N -3.14 1.38 0.07 1.61 0.41 -0.95 -4.94 118.70 113.13 3dh3 s GLU 220 Ca 0.00 -1.62 -0.10 0.00 -0.41 0.00 0.00 54.97 52.84 3dh3 s GLU 220 Cb 0.00 -1.18 0.00 0.00 -1.78 0.00 0.00 34.13 31.17 3dh3 s GLU 220 CO 0.00 0.19 0.21 1.67 -0.49 0.00 0.00 175.26 176.84 3dh3 s TRP 221 N -2.93 0.08 0.16 1.61 1.48 -1.26 -0.98 118.94 117.09 3dh3 s TRP 221 Ca 0.24 -0.41 -0.16 0.00 -1.06 0.00 0.00 56.10 54.71 3dh3 s TRP 221 Cb -0.01 -0.02 0.03 0.00 -1.16 0.00 0.00 33.47 32.31 3dh3 s TRP 221 CO 0.08 -0.51 0.44 -0.98 -4.06 0.00 0.00 176.95 171.92 3dh3 s ARG 222 N -3.33 1.22 0.79 3.25 1.70 -0.80 -4.95 118.95 116.82 3dh3 s ARG 222 Ca 0.01 -0.85 -0.11 0.00 -0.47 0.00 0.00 55.73 54.31 3dh3 s ARG 222 Cb 0.02 0.48 0.06 0.00 -0.57 0.00 0.00 34.95 34.95 3dh3 s ARG 222 CO -0.08 -0.50 1.09 -0.51 -1.08 0.00 0.00 175.30 174.22 3dh3 s ASP 223 N -2.86 4.46 0.06 -2.89 1.01 -1.26 -0.17 116.67 115.03 3dh3 s ASP 223 Ca 0.08 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.66 3dh3 s ASP 223 Cb 0.01 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 3dh3 s ASP 223 CO -0.06 -2.03 0.99 -0.76 0.21 0.00 0.00 175.17 173.52 3dh3 s LEU 224 N -5.88 4.43 0.44 1.23 1.43 -1.03 -4.77 118.68 114.53 3dh3 s LEU 224 Ca 0.61 1.77 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 3dh3 s LEU 224 Cb -0.16 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3dh3 s LEU 224 CO 0.56 -0.19 1.45 0.42 0.23 0.00 0.00 176.35 178.82 3dh3 s THR 225 N 0.50 2.03 0.41 5.49 -4.23 -1.26 -4.60 115.64 113.98 3dh3 s THR 225 Ca 0.50 0.03 0.26 0.00 -1.18 0.00 0.00 61.69 61.30 3dh3 s THR 225 Cb -0.23 -3.02 0.44 0.00 1.34 0.00 0.00 72.50 71.04 3dh3 s THR 225 CO 0.29 0.00 1.62 0.44 -0.54 0.00 0.00 174.62 176.44 3dh3 h ASP 226 N 2.45 0.29 0.00 3.99 5.19 -1.97 0.21 116.42 126.57 3dh3 h ASP 226 Ca -0.51 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 3dh3 h ASP 226 Cb 1.26 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3dh3 h ASP 226 CO 0.62 -0.21 0.00 0.47 -3.12 0.00 0.00 179.24 177.00 3dh3 n ASP 227 N -4.82 0.00 -0.34 6.45 8.00 -1.26 0.02 116.55 124.60 3dh3 n ASP 227 Ca 0.36 0.98 0.15 0.00 0.71 0.00 0.00 54.79 57.00 3dh3 n ASP 227 Cb 1.34 -0.48 0.30 0.00 -0.02 0.00 0.00 41.12 42.26 3dh3 n ASP 227 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3dh3 h GLU 228 N 0.00 0.02 -0.26 -1.24 5.08 -1.40 1.10 114.58 117.87 3dh3 h GLU 228 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dh3 h GLU 228 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dh3 h GLU 228 CO 0.00 0.01 0.16 1.25 -1.00 0.00 0.00 179.01 179.43 3dh3 h LEU 229 N 0.02 0.32 0.69 1.33 5.85 -0.55 0.42 115.31 123.39 3dh3 h LEU 229 Ca 0.60 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.23 3dh3 h LEU 229 Cb 1.26 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.21 3dh3 h LEU 229 CO -0.89 0.29 -0.33 0.40 -0.34 0.00 0.00 178.44 177.56 3dh3 h ILE 230 N 0.33 0.13 -0.88 4.05 2.04 0.29 -2.49 117.51 120.97 3dh3 h ILE 230 Ca 0.09 -0.27 0.20 0.00 1.00 0.00 0.00 64.86 65.88 3dh3 h ILE 230 Cb 0.03 0.18 -0.17 0.00 -0.74 0.00 0.00 36.82 36.12 3dh3 h ILE 230 CO -0.02 0.02 -0.15 0.47 0.00 0.00 0.00 178.15 178.47 3dh3 n ASP 231 N -5.41 -0.25 0.03 1.72 10.43 0.35 -0.38 116.55 123.04 3dh3 n ASP 231 Ca -0.12 1.52 -0.13 0.00 2.57 0.00 0.00 54.79 58.62 3dh3 n ASP 231 Cb 0.38 -0.49 -0.09 0.00 1.84 0.00 0.00 41.12 42.77 3dh3 n ASP 231 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3dh3 h LEU 232 N 0.00 -0.07 -1.68 0.64 6.46 -0.11 -1.68 115.31 118.87 3dh3 h LEU 232 Ca 0.46 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 3dh3 h LEU 232 Cb 0.79 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 3dh3 h LEU 232 CO -0.89 0.28 0.32 -0.26 -0.62 0.00 0.00 178.44 177.28 3dh3 h PHE 233 N -0.42 0.39 -0.29 1.25 0.04 -0.24 0.31 116.94 117.99 3dh3 h PHE 233 Ca -0.01 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 3dh3 h PHE 233 Cb 0.37 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3dh3 h PHE 233 CO 0.04 0.21 -0.43 0.87 -0.60 0.00 0.00 178.31 178.40 3dh3 h LYS 234 N 0.39 0.72 -0.02 1.51 1.79 -0.82 -2.07 116.57 118.07 3dh3 h LYS 234 Ca 0.21 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3dh3 h LYS 234 Cb 0.33 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3dh3 h LYS 234 CO -0.05 1.01 0.00 1.28 -1.08 0.00 0.00 179.45 180.61 3dh3 n LEU 235 N -4.03 0.02 -4.21 2.94 4.77 0.09 -4.62 117.00 111.97 3dh3 n LEU 235 Ca -0.02 -0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 3dh3 n LEU 235 Cb 0.55 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 3dh3 n LEU 235 CO 0.47 0.00 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.37 3dh3 s ILE 236 N -1.94 1.74 0.00 -0.08 1.01 -0.78 -4.84 121.20 116.31 3dh3 s ILE 236 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3dh3 s ILE 236 Cb 0.00 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3dh3 s ILE 236 CO 0.00 0.49 0.00 -1.84 0.00 0.00 0.00 174.94 173.59 3dh3 n GLU 237 N 2.95 0.00 0.00 2.79 -0.00 -1.26 -5.04 120.64 120.09 3dh3 n GLU 237 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3dh3 n GLU 237 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3dh3 n GLU 237 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dh3 n ASN 238 N 0.00 0.00 -3.65 -1.84 3.02 -1.26 -5.15 115.26 106.37 3dh3 n ASN 238 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3dh3 n ASN 238 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3dh3 n ASN 238 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dh3 s SER 239 N 0.24 -0.69 0.02 6.41 0.15 -1.26 -4.97 113.70 113.59 3dh3 s SER 239 Ca 0.00 1.32 0.28 0.00 0.70 0.00 0.00 55.95 58.25 3dh3 s SER 239 Cb 0.00 1.33 1.01 0.00 -1.71 0.00 0.00 66.02 66.65 3dh3 s SER 239 CO 0.00 -0.23 1.78 -1.20 1.20 0.00 0.00 173.24 174.79 3dh3 n SER 240 N 2.85 0.19 -4.83 5.45 7.64 -1.26 -4.09 113.62 119.57 3dh3 n SER 240 Ca -0.14 0.31 -0.27 0.00 1.01 0.00 0.00 58.87 59.78 3dh3 n SER 240 Cb 0.56 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 3dh3 n SER 240 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dh3 s SER 241 N -3.12 4.49 -0.42 6.43 0.01 -1.26 -4.86 113.70 114.97 3dh3 s SER 241 Ca 0.13 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.09 3dh3 s SER 241 Cb 0.18 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.66 3dh3 s SER 241 CO 0.58 -0.89 2.69 -0.62 0.41 0.00 0.00 173.24 175.41 3dh3 n GLU 242 N -1.52 2.31 0.00 12.44 4.71 -1.26 -5.07 120.64 132.25 3dh3 n GLU 242 Ca -0.05 -2.21 0.11 0.00 -0.01 0.00 0.00 57.16 55.01 3dh3 n GLU 242 Cb 0.65 -2.07 0.68 0.00 -1.01 0.00 0.00 31.44 29.69 3dh3 n GLU 242 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77