#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh3 s ASP 4 N 0.00 5.42 0.00 3.54 1.47 -1.26 -5.02 116.67 120.82 3dh3 s ASP 4 Ca 0.00 -0.34 0.00 0.00 1.18 0.00 0.00 52.55 53.39 3dh3 s ASP 4 Cb 0.00 -1.25 0.00 0.00 -0.34 0.00 0.00 42.92 41.33 3dh3 s ASP 4 CO 0.00 -0.14 0.00 -1.20 0.68 0.00 0.00 175.17 174.51 3dh3 n SER 5 N -1.23 0.00 -3.54 2.11 7.64 -1.26 -4.38 113.62 112.95 3dh3 n SER 5 Ca -0.06 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.65 3dh3 n SER 5 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 3dh3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dh3 s SER 6 N 0.00 -0.67 -0.07 6.43 1.04 -1.26 -4.42 113.70 114.75 3dh3 s SER 6 Ca 0.00 0.86 -0.00 0.00 0.48 0.00 0.00 55.95 57.29 3dh3 s SER 6 Cb 0.00 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 3dh3 s SER 6 CO 0.00 -0.54 -0.03 -0.69 0.98 0.00 0.00 173.24 172.96 3dh3 s VAL 7 N -0.88 4.00 0.52 5.02 1.01 -1.13 -4.86 120.40 124.09 3dh3 s VAL 7 Ca -0.09 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3dh3 s VAL 7 Cb -0.01 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3dh3 s VAL 7 CO 0.08 0.58 1.37 -0.60 0.00 0.00 0.00 175.10 176.53 3dh3 s ARG 8 N -0.92 3.27 0.09 2.72 3.52 -1.26 0.27 118.95 126.65 3dh3 s ARG 8 Ca 0.13 2.27 -0.29 0.00 -0.13 0.00 0.00 55.73 57.72 3dh3 s ARG 8 Cb -0.11 -2.35 -0.14 0.00 -1.56 0.00 0.00 34.95 30.79 3dh3 s ARG 8 CO 0.03 -1.10 1.65 1.25 -0.81 0.00 0.00 175.30 176.32 3dh3 h LEU 9 N 1.67 -0.61 -0.06 -0.88 5.85 -1.65 0.64 115.31 120.27 3dh3 h LEU 9 Ca -0.51 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3dh3 h LEU 9 Cb 1.29 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3dh3 h LEU 9 CO 0.58 -0.36 -0.34 -0.55 -0.34 0.00 0.00 178.44 177.42 3dh3 h ASN 10 N -0.56 -1.05 -0.22 1.25 7.08 -1.90 0.51 115.58 120.69 3dh3 h ASN 10 Ca -0.03 0.14 0.06 0.00 -3.08 0.00 0.00 56.30 53.39 3dh3 h ASN 10 Cb 0.48 0.43 -0.07 0.00 -2.08 0.00 0.00 38.32 37.08 3dh3 h ASN 10 CO 0.01 -0.39 -0.29 0.50 -2.08 0.00 0.00 177.43 175.17 3dh3 h LYS 11 N -0.46 -0.30 -0.43 4.14 3.64 -1.82 0.45 116.57 121.78 3dh3 h LYS 11 Ca 0.07 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3dh3 h LYS 11 Cb 0.57 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 3dh3 h LYS 11 CO -0.32 -0.20 0.04 -0.92 -2.27 0.00 0.00 179.45 175.78 3dh3 h TYR 12 N -0.32 0.05 -0.44 1.91 5.03 0.24 0.76 116.97 124.20 3dh3 h TYR 12 Ca 0.13 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.32 3dh3 h TYR 12 Cb 0.51 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3dh3 h TYR 12 CO -0.43 -0.05 -0.29 0.97 -1.32 0.00 0.00 178.16 177.04 3dh3 h ILE 13 N 0.16 1.27 -0.10 1.81 -0.00 -0.44 -2.65 117.51 117.55 3dh3 h ILE 13 Ca 0.22 -1.46 0.02 0.00 -0.00 0.00 0.00 64.86 63.64 3dh3 h ILE 13 Cb 0.29 1.23 -0.03 0.00 -0.00 0.00 0.00 36.82 38.32 3dh3 h ILE 13 CO -0.32 0.50 -0.05 -1.28 -0.00 0.00 0.00 178.15 177.00 3dh3 h SER 14 N 0.82 -0.17 0.00 2.19 0.87 0.14 -1.50 113.55 115.90 3dh3 h SER 14 Ca 0.09 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3dh3 h SER 14 Cb 0.88 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3dh3 h SER 14 CO 0.08 -0.07 0.12 -0.33 -0.53 0.00 0.00 176.83 176.10 3dh3 h GLU 15 N -0.04 0.00 0.00 2.24 5.08 0.66 0.50 114.58 123.02 3dh3 h GLU 15 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dh3 h GLU 15 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dh3 h GLU 15 CO -0.13 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.54 3dh3 h SER 16 N 0.00 0.00 0.00 1.42 4.64 -0.91 -3.42 113.55 115.27 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 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 0.16 1.29 0.21 -0.77 0.00 0.17 -4.94 105.19 101.31 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 0.94 -2.22 -0.61 1.08 -1.72 -3.43 117.51 111.55 3dh3 h ILE 18 Ca 0.00 -0.17 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 3dh3 h ILE 18 Cb 0.00 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3dh3 h ILE 18 CO 0.00 0.09 0.36 0.00 -0.69 0.00 0.00 178.15 177.91 3dh3 s SER 20 N -2.51 5.05 0.16 0.00 1.04 -1.26 -4.28 113.70 111.90 3dh3 s SER 20 Ca 0.14 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 3dh3 s SER 20 Cb -0.02 -1.50 0.05 0.00 0.10 0.00 0.00 66.02 64.65 3dh3 s SER 20 CO 0.04 -1.51 1.68 -0.09 0.98 0.00 0.00 173.24 174.33 3dh3 h ARG 21 N -0.66 0.88 0.00 4.02 2.43 -1.92 -0.76 114.38 118.36 3dh3 h ARG 21 Ca -0.45 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.42 3dh3 h ARG 21 Cb 1.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3dh3 h ARG 21 CO 0.63 0.82 -0.43 0.00 -1.51 0.00 0.00 179.97 179.48 3dh3 h ARG 22 N 0.78 0.00 -0.23 0.20 3.08 -1.94 -2.66 114.38 113.62 3dh3 h ARG 22 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3dh3 h ARG 22 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3dh3 h ARG 22 CO -0.00 0.43 0.01 0.93 -1.07 0.00 0.00 179.97 180.27 3dh3 h GLU 23 N 0.00 0.40 -0.38 0.04 5.08 -1.83 -2.85 114.58 115.04 3dh3 h GLU 23 Ca -0.00 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3dh3 h GLU 23 Cb 0.94 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3dh3 h GLU 23 CO 0.06 0.57 -0.44 0.00 -1.00 0.00 0.00 179.01 178.19 3dh3 h ALA 24 N 0.82 -0.65 -0.57 3.43 0.00 -0.84 -0.82 119.26 120.63 3dh3 h ALA 24 Ca 0.07 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.15 3dh3 h ALA 24 Cb 0.38 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3dh3 h ALA 24 CO 0.01 -0.87 0.45 -0.44 0.00 0.00 0.00 179.25 178.40 3dh3 h ASP 25 N -0.27 0.00 -0.23 0.00 3.45 -1.41 0.17 116.42 118.13 3dh3 h ASP 25 Ca 0.07 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 3dh3 h ASP 25 Cb 0.44 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3dh3 h ASP 25 CO -0.50 0.00 -0.04 -0.09 -1.57 0.00 0.00 179.24 177.04 3dh3 h ARG 26 N 0.00 0.44 0.75 3.56 9.65 -0.93 -1.75 114.38 126.10 3dh3 h ARG 26 Ca 0.27 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3dh3 h ARG 26 Cb 1.16 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3dh3 h ARG 26 CO -0.00 0.66 -0.38 1.88 2.80 0.00 0.00 179.97 184.93 3dh3 h TYR 27 N 0.19 -0.99 -0.86 2.20 0.99 -0.11 -1.71 116.97 116.68 3dh3 h TYR 27 Ca 0.06 -0.02 0.17 0.00 2.00 0.00 0.00 58.73 60.94 3dh3 h TYR 27 Cb 0.49 0.33 -0.16 0.00 1.00 0.00 0.00 36.73 38.39 3dh3 h TYR 27 CO 0.05 -0.60 -0.20 0.82 -0.00 0.00 0.00 178.16 178.22 3dh3 h ILE 28 N -1.03 0.14 -0.86 -2.88 2.04 -1.28 0.20 117.51 113.85 3dh3 h ILE 28 Ca -0.10 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3dh3 h ILE 28 Cb 0.80 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3dh3 h ILE 28 CO 0.15 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 178.53 3dh3 h GLU 29 N 0.00 1.03 -0.78 2.37 5.08 -1.03 -0.44 114.58 120.82 3dh3 h GLU 29 Ca 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3dh3 h GLU 29 Cb 0.64 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3dh3 h GLU 29 CO -0.88 0.68 0.00 1.04 -1.00 0.00 0.00 179.01 178.85 3dh3 n GLN 30 N -4.56 1.38 -3.60 2.33 6.02 0.66 -4.85 117.38 114.76 3dh3 n GLN 30 Ca 0.11 -0.33 -0.27 0.00 -0.01 0.00 0.00 57.00 56.50 3dh3 n GLN 30 Cb 0.10 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 29.91 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 0.18 -0.51 0.68 1.08 0.00 -0.17 -4.87 105.19 101.57 3dh3 n GLY 31 Ca 0.03 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.71 2.32 -4.35 1.61 3.02 -0.98 -4.96 115.26 109.21 3dh3 n ASN 32 Ca -0.00 -1.68 -0.32 0.00 -0.03 0.00 0.00 54.58 52.55 3dh3 n ASN 32 Cb 0.55 0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.23 2.50 -0.08 2.41 1.01 -1.26 -0.70 120.40 122.05 3dh3 s VAL 33 Ca 0.25 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3dh3 s VAL 33 Cb 0.19 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.65 3dh3 s VAL 33 CO 0.43 0.57 -0.07 -0.36 0.00 0.00 0.00 175.10 175.67 3dh3 s PHE 34 N -0.32 1.18 -0.43 5.22 0.40 0.12 0.25 117.98 124.40 3dh3 s PHE 34 Ca 0.02 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 3dh3 s PHE 34 Cb -0.13 -0.99 0.07 0.00 0.51 0.00 0.00 43.02 42.49 3dh3 s PHE 34 CO 0.02 -0.34 0.29 -1.17 0.70 0.00 0.00 175.22 174.72 3dh3 s LEU 35 N 1.26 5.26 -1.31 -0.37 0.20 0.10 -1.10 118.68 122.73 3dh3 s LEU 35 Ca -0.04 -1.44 -0.01 0.00 0.69 0.00 0.00 54.13 53.33 3dh3 s LEU 35 Cb -0.14 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.58 3dh3 s LEU 35 CO -0.02 -0.56 0.66 0.59 -0.29 0.00 0.00 176.35 176.73 3dh3 n ASN 36 N 5.00 -1.21 0.00 3.68 3.02 0.42 -1.17 115.26 125.00 3dh3 n ASN 36 Ca -0.11 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3dh3 n ASN 36 Cb 0.43 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 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 -1.63 2.30 3.76 7.41 0.00 -1.26 -4.98 105.19 110.78 3dh3 n GLY 37 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 4.52 -0.07 1.61 3.01 -0.32 -4.99 119.74 123.50 3dh3 s LYS 38 Ca 0.00 1.10 -0.29 0.00 -1.01 0.00 0.00 55.97 55.76 3dh3 s LYS 38 Cb 0.00 -3.32 -0.06 0.00 -1.01 0.00 0.00 37.83 33.44 3dh3 s LYS 38 CO 0.00 0.41 1.89 0.50 0.51 0.00 0.00 175.35 178.65 3dh3 s ARG 39 N -0.51 3.90 0.87 1.68 3.52 -1.26 0.03 118.95 127.18 3dh3 s ARG 39 Ca 0.37 2.25 -0.12 0.00 -0.13 0.00 0.00 55.73 58.11 3dh3 s ARG 39 Cb -0.22 -4.14 0.11 0.00 -1.56 0.00 0.00 34.95 29.14 3dh3 s ARG 39 CO 0.24 -1.20 1.10 0.00 -0.81 0.00 0.00 175.30 174.62 3dh3 s ALA 40 N 5.21 1.75 -0.00 6.12 0.00 0.14 -4.85 121.76 130.12 3dh3 s ALA 40 Ca 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 3dh3 s ALA 40 Cb -0.36 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dh3 s ALA 40 CO 0.36 -2.18 0.06 0.95 0.00 0.00 0.00 175.76 174.95 3dh3 s THR 41 N -3.02 0.06 -0.38 0.00 -4.23 -1.26 -4.88 115.64 101.93 3dh3 s THR 41 Ca 0.63 -0.50 -0.35 0.00 -1.18 0.00 0.00 61.69 60.29 3dh3 s THR 41 Cb -0.17 -0.26 -0.15 0.00 1.34 0.00 0.00 72.50 73.26 3dh3 s THR 41 CO 0.56 -0.27 1.26 -0.38 -0.54 0.00 0.00 174.62 175.24 3dh3 n ILE 42 N 2.10 0.00 0.00 2.99 -0.00 -1.26 -1.84 119.36 121.34 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 -0.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.83 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 3.34 2.43 3.75 7.39 0.00 -1.26 -5.08 105.19 115.75 3dh3 n GLY 43 Ca 0.26 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3dh3 n GLY 43 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dh3 s ASP 44 N -0.20 5.13 0.43 1.61 1.47 -0.77 -4.65 116.67 119.69 3dh3 s ASP 44 Ca 0.00 2.64 -0.03 0.00 1.18 0.00 0.00 52.55 56.34 3dh3 s ASP 44 Cb 0.00 -2.62 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 3dh3 s ASP 44 CO 0.00 -1.65 0.69 -1.10 0.68 0.00 0.00 175.17 173.79 3dh3 s GLN 45 N -3.08 3.52 -0.30 2.11 -1.52 -1.26 -1.93 119.66 117.19 3dh3 s GLN 45 Ca 0.75 -0.02 0.03 0.00 -1.95 0.00 0.00 55.36 54.17 3dh3 s GLN 45 Cb -0.37 -2.49 0.08 0.00 -0.22 0.00 0.00 33.01 30.01 3dh3 s GLN 45 CO 0.42 -0.06 -0.02 0.54 -0.25 0.00 0.00 175.29 175.93 3dh3 s VAL 46 N -2.57 2.16 0.45 1.09 0.11 0.14 -4.82 120.40 116.97 3dh3 s VAL 46 Ca 0.44 -1.99 -0.19 0.00 -2.93 0.00 0.00 61.98 57.31 3dh3 s VAL 46 Cb -0.10 -2.46 -0.10 0.00 -1.53 0.00 0.00 36.38 32.19 3dh3 s VAL 46 CO 0.41 -0.36 0.94 -0.54 -3.33 0.00 0.00 175.10 172.23 3dh3 s LYS 47 N 1.02 4.12 0.33 1.54 1.02 -1.26 -2.84 119.74 123.67 3dh3 s LYS 47 Ca 0.02 1.03 0.11 0.00 0.02 0.00 0.00 55.97 57.15 3dh3 s LYS 47 Cb -0.19 -2.19 0.94 0.00 -0.52 0.00 0.00 37.83 35.87 3dh3 s LYS 47 CO -0.07 -0.09 1.73 -1.35 -0.92 0.00 0.00 175.35 174.65 3dh3 h PRO 48 N 1.61 0.52 -0.11 -1.68 0.11 -1.89 0.58 132.00 131.14 3dh3 h PRO 48 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3dh3 h PRO 48 Cb 1.18 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 3dh3 h PRO 48 CO 0.61 0.35 -0.44 0.78 -0.21 0.00 0.00 178.00 179.09 3dh3 h GLY 49 N 0.54 -0.79 -3.50 -0.55 0.00 -1.97 -3.46 103.07 93.34 3dh3 h GLY 49 Ca 0.64 0.55 -0.58 0.00 0.00 0.00 0.00 47.33 47.94 3dh3 h GLY 49 CO -0.45 -0.22 -1.22 1.22 0.00 0.00 0.00 176.54 175.86 3dh3 n ASP 50 N -5.44 -3.90 -4.07 0.19 10.43 0.19 -5.03 116.55 108.92 3dh3 n ASP 50 Ca -0.05 0.52 -0.29 0.00 2.57 0.00 0.00 54.79 57.54 3dh3 n ASP 50 Cb 0.37 -0.89 -0.17 0.00 1.84 0.00 0.00 41.12 42.28 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 -1.98 1.54 -0.13 2.53 0.11 -1.26 -4.96 120.40 116.25 3dh3 s VAL 51 Ca 0.54 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3dh3 s VAL 51 Cb -0.39 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 3dh3 s VAL 51 CO 0.69 0.45 -0.16 -0.69 -3.33 0.00 0.00 175.10 172.07 3dh3 s VAL 52 N 0.90 2.74 -0.10 2.04 1.01 -1.26 -0.44 120.40 125.30 3dh3 s VAL 52 Ca -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3dh3 s VAL 52 Cb -0.15 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3dh3 s VAL 52 CO -0.00 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.96 3dh3 s LYS 53 N 0.53 1.91 -0.19 2.72 1.02 -0.26 -0.77 119.74 124.70 3dh3 s LYS 53 Ca -0.10 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 3dh3 s LYS 53 Cb -0.16 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 3dh3 s LYS 53 CO 0.04 -0.08 -0.04 0.08 -0.92 0.00 0.00 175.35 174.43 3dh3 s VAL 54 N 1.04 3.61 -1.03 3.17 1.01 -0.66 0.11 120.40 127.66 3dh3 s VAL 54 Ca -0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3dh3 s VAL 54 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.65 3dh3 s VAL 54 CO -0.01 0.45 0.59 0.59 0.00 0.00 0.00 175.10 176.71 3dh3 n ASN 55 N 4.27 -3.72 0.00 3.32 5.03 0.12 -1.82 115.26 122.46 3dh3 n ASN 55 Ca -0.18 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.15 3dh3 n ASN 55 Cb 0.52 -1.40 0.00 0.00 -1.02 0.00 0.00 39.78 37.87 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 -1.92 0.92 3.66 7.41 0.00 -1.26 -4.93 105.19 109.08 3dh3 n GLY 56 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 4.24 0.39 1.61 0.74 -0.76 -4.96 119.66 120.92 3dh3 s GLN 57 Ca 0.00 1.74 -0.27 0.00 0.05 0.00 0.00 55.36 56.89 3dh3 s GLN 57 Cb 0.00 -3.77 -0.10 0.00 1.10 0.00 0.00 33.01 30.24 3dh3 s GLN 57 CO 0.00 -0.70 1.39 -1.17 -0.55 0.00 0.00 175.29 174.26 3dh3 s LEU 58 N 3.43 4.26 -0.04 3.68 0.20 -1.26 -1.66 118.68 127.29 3dh3 s LEU 58 Ca 0.58 2.85 0.05 0.00 0.69 0.00 0.00 54.13 58.30 3dh3 s LEU 58 Cb -0.24 -3.79 -0.01 0.00 -0.43 0.00 0.00 46.19 41.72 3dh3 s LEU 58 CO 0.18 -0.88 -0.21 0.27 -0.29 0.00 0.00 176.35 175.42 3dh3 s ILE 59 N -1.18 1.69 0.18 6.68 -4.36 0.05 -4.91 121.20 119.35 3dh3 s ILE 59 Ca 0.55 -0.87 0.05 0.00 -0.26 0.00 0.00 60.65 60.12 3dh3 s ILE 59 Cb -0.42 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3dh3 s ILE 59 CO 0.56 0.48 0.22 -1.61 0.24 0.00 0.00 174.94 174.82 3dh3 s GLU 60 N -0.11 3.13 0.73 0.37 2.02 -1.26 -4.44 118.70 119.13 3dh3 s GLU 60 Ca -0.02 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 3dh3 s GLU 60 Cb -0.12 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3dh3 s GLU 60 CO 0.02 0.48 1.10 -1.25 0.02 0.00 0.00 175.26 175.62 3dh3 s PRO 61 N -3.37 2.48 0.31 0.39 0.04 -1.26 -4.63 135.00 128.97 3dh3 s PRO 61 Ca 0.33 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 3dh3 s PRO 61 Cb -0.10 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3dh3 s PRO 61 CO 0.26 -1.48 0.94 0.50 0.04 0.00 0.00 177.00 177.26 3dh3 s ARG 62 N -4.60 4.59 0.17 4.56 3.52 -1.26 -5.03 118.95 120.90 3dh3 s ARG 62 Ca 0.63 1.33 -0.15 0.00 -0.13 0.00 0.00 55.73 57.41 3dh3 s ARG 62 Cb -0.18 -2.83 -0.07 0.00 -1.56 0.00 0.00 34.95 30.30 3dh3 s ARG 62 CO 0.50 0.30 0.59 -1.21 -0.81 0.00 0.00 175.30 174.67 3dh3 s GLU 63 N -1.99 4.01 0.35 5.12 0.41 -1.26 -4.96 118.70 120.37 3dh3 s GLU 63 Ca 0.49 0.54 0.13 0.00 -0.41 0.00 0.00 54.97 55.73 3dh3 s GLU 63 Cb -0.19 -2.88 0.98 0.00 -1.78 0.00 0.00 34.13 30.26 3dh3 s GLU 63 CO 0.24 0.44 1.73 0.00 -0.49 0.00 0.00 175.26 177.18 3dh3 h ALA 64 N 3.40 1.97 -0.00 5.21 0.00 -2.01 0.28 119.26 128.10 3dh3 h ALA 64 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dh3 h ALA 64 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dh3 h ALA 64 CO 0.66 -0.44 -0.02 0.39 0.00 0.00 0.00 179.25 179.84 3dh3 n GLU 65 N -4.81 0.94 0.00 0.00 4.71 -1.26 -2.86 120.64 117.36 3dh3 n GLU 65 Ca 0.27 -0.18 0.14 0.00 -0.01 0.00 0.00 57.16 57.37 3dh3 n GLU 65 Cb 0.82 -1.50 0.55 0.00 -1.01 0.00 0.00 31.44 30.31 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 -0.87 0.27 -4.62 1.62 10.43 0.97 -4.90 116.55 119.45 3dh3 n ASP 66 Ca 0.20 -0.10 -0.46 0.00 2.57 0.00 0.00 54.79 57.00 3dh3 n ASP 66 Cb 0.20 -0.17 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 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 -1.29 2.20 -4.14 0.64 7.94 -1.14 -4.98 117.00 116.23 3dh3 n LEU 67 Ca 0.10 1.15 -0.30 0.00 -1.11 0.00 0.00 56.01 55.86 3dh3 n LEU 67 Cb 0.31 -1.31 -0.17 0.00 0.53 0.00 0.00 43.42 42.78 3dh3 n LEU 67 CO 0.27 -1.01 -0.52 -0.69 -1.11 0.00 0.00 177.39 174.33 3dh3 s VAL 68 N -0.36 1.73 -0.30 1.96 1.01 -1.26 -5.04 120.40 118.14 3dh3 s VAL 68 Ca 0.68 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3dh3 s VAL 68 Cb -0.74 -1.52 0.16 0.00 0.00 0.00 0.00 36.38 34.27 3dh3 s VAL 68 CO 0.53 0.49 0.39 -0.22 0.00 0.00 0.00 175.10 176.29 3dh3 s LEU 69 N 0.58 -0.64 0.18 3.92 2.96 -1.26 -2.90 118.68 121.52 3dh3 s LEU 69 Ca -0.15 -0.59 0.11 0.00 -0.22 0.00 0.00 54.13 53.28 3dh3 s LEU 69 Cb -0.17 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.45 3dh3 s LEU 69 CO 0.05 -0.34 -0.21 0.27 -1.32 0.00 0.00 176.35 174.80 3dh3 s ILE 70 N 2.37 2.56 -0.12 6.68 -4.36 -0.59 -2.42 121.20 125.32 3dh3 s ILE 70 Ca 0.11 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 3dh3 s ILE 70 Cb -0.13 -2.23 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 3dh3 s ILE 70 CO -0.27 -0.10 -0.15 0.00 0.24 0.00 0.00 174.94 174.66 3dh3 s ALA 71 N -1.64 2.53 -0.07 2.27 0.00 0.42 -1.16 121.76 124.12 3dh3 s ALA 71 Ca 0.21 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3dh3 s ALA 71 Cb -0.08 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 3dh3 s ALA 71 CO 0.11 0.27 -0.21 -1.17 0.00 0.00 0.00 175.76 174.76 3dh3 s LEU 72 N 0.31 2.33 -0.94 0.00 2.96 0.53 -1.95 118.68 121.91 3dh3 s LEU 72 Ca -0.12 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.18 3dh3 s LEU 72 Cb -0.16 -1.45 0.11 0.00 0.50 0.00 0.00 46.19 45.19 3dh3 s LEU 72 CO 0.06 0.25 1.19 0.21 -1.32 0.00 0.00 176.35 176.75 3dh3 s ASN 73 N -0.19 6.59 -0.08 3.68 3.84 -0.29 -1.26 114.94 127.24 3dh3 s ASN 73 Ca -0.02 -1.90 -0.30 0.00 0.21 0.00 0.00 52.86 50.85 3dh3 s ASN 73 Cb -0.13 -2.44 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 3dh3 s ASN 73 CO 0.03 -1.16 1.20 -0.75 -2.79 0.00 0.00 177.10 173.63 3dh3 s LYS 74 N 3.19 4.33 0.63 0.43 2.20 0.90 -0.51 119.74 130.92 3dh3 s LYS 74 Ca 0.35 1.66 -0.10 0.00 -0.36 0.00 0.00 55.97 57.52 3dh3 s LYS 74 Cb -0.04 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 3dh3 s LYS 74 CO -0.09 -0.49 1.02 -1.25 -0.36 0.00 0.00 175.35 174.18 3dh3 s PRO 75 N 2.42 3.41 0.52 4.03 0.04 -1.26 -0.81 135.00 143.36 3dh3 s PRO 75 Ca 0.55 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 3dh3 s PRO 75 Cb -0.24 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 3dh3 s PRO 75 CO 0.20 -0.65 1.13 0.28 0.04 0.00 0.00 177.00 178.01 3dh3 n VAL 76 N -2.76 3.32 0.00 -0.36 0.31 -1.26 -3.16 118.33 114.43 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 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 1.05 2.67 3.74 2.92 0.00 0.11 -5.01 105.19 110.67 3dh3 n GLY 77 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.66 4.67 -0.11 -0.61 1.09 -1.19 -4.90 121.20 117.49 3dh3 s ILE 78 Ca 0.00 1.75 -0.11 0.00 -1.10 0.00 0.00 60.65 61.19 3dh3 s ILE 78 Cb 0.00 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 37.18 3dh3 s ILE 78 CO 0.00 0.35 0.25 -0.69 -0.10 0.00 0.00 174.94 174.75 3dh3 s VAL 79 N -0.03 5.32 -1.45 2.92 1.01 -0.10 -4.18 120.40 123.89 3dh3 s VAL 79 Ca 0.41 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 3dh3 s VAL 79 Cb -0.21 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.65 3dh3 s VAL 79 CO 0.25 0.52 2.48 -1.20 0.00 0.00 0.00 175.10 177.15 3dh3 n SER 80 N 2.62 7.12 -4.16 3.32 7.64 -1.26 -0.93 113.62 127.98 3dh3 n SER 80 Ca -0.16 -2.88 -0.14 0.00 1.01 0.00 0.00 58.87 56.70 3dh3 n SER 80 Cb 0.53 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.02 0.89 -1.27 0.44 -1.32 -1.26 -4.83 115.64 109.31 3dh3 s THR 81 Ca 0.56 -1.52 0.23 0.00 -1.21 0.00 0.00 61.69 59.75 3dh3 s THR 81 Cb 0.16 -1.22 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 3dh3 s THR 81 CO -0.07 -0.50 1.17 0.35 -2.21 0.00 0.00 174.62 173.36 3dh3 n THR 82 N 0.77 0.00 -2.65 5.08 -2.24 -1.26 -3.36 114.28 110.62 3dh3 n THR 82 Ca -0.18 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3dh3 n THR 82 Cb 0.57 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.85 4.09 0.09 -0.78 -1.05 -1.26 -4.95 118.70 111.99 3dh3 s GLU 83 Ca 0.13 1.33 -0.16 0.00 -0.15 0.00 0.00 54.97 56.12 3dh3 s GLU 83 Cb 0.17 -2.30 -0.09 0.00 -0.44 0.00 0.00 34.13 31.47 3dh3 s GLU 83 CO 0.73 -0.17 1.43 -0.44 0.95 0.00 0.00 175.26 177.75 3dh3 h ASP 84 N 2.06 0.66 -0.85 0.83 3.45 -2.02 -3.28 116.42 117.27 3dh3 h ASP 84 Ca -0.49 -0.44 0.16 0.00 0.43 0.00 0.00 57.03 56.69 3dh3 h ASP 84 Cb 1.20 -0.19 -0.16 0.00 -0.56 0.00 0.00 39.33 39.63 3dh3 h ASP 84 CO 0.61 0.97 -0.24 0.61 -1.57 0.00 0.00 179.24 179.61 3dh3 n GLY 85 N 0.08 -1.52 3.62 2.75 0.00 -1.26 -4.21 105.19 104.65 3dh3 n GLY 85 Ca -0.04 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 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 -6.01 3.69 0.38 1.61 2.56 -1.24 -4.89 118.70 114.81 3dh3 s GLU 86 Ca -0.13 1.30 0.07 0.00 0.00 0.00 0.00 54.97 56.21 3dh3 s GLU 86 Cb 0.22 -4.02 0.77 0.00 2.00 0.00 0.00 34.13 33.10 3dh3 s GLU 86 CO 0.65 -1.42 1.97 0.07 -0.56 0.00 0.00 175.26 175.97 3dh3 h ARG 87 N 10.68 0.45 -1.01 4.30 0.11 -1.90 -2.41 114.38 124.60 3dh3 h ARG 87 Ca -0.30 -0.06 -0.57 0.00 0.10 0.00 0.00 59.98 59.15 3dh3 h ARG 87 Cb 1.13 -0.08 -0.30 0.00 1.11 0.00 0.00 29.97 31.83 3dh3 h ARG 87 CO 1.04 0.41 0.73 -0.25 0.10 0.00 0.00 179.97 182.00 3dh3 n ASP 88 N -4.37 5.28 -4.77 0.08 8.00 -1.26 -4.95 116.55 114.56 3dh3 n ASP 88 Ca 0.02 -3.65 -0.37 0.00 0.71 0.00 0.00 54.79 51.50 3dh3 n ASP 88 Cb 0.17 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 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 -1.44 6.00 0.43 -2.24 2.20 -0.91 -0.92 114.94 118.06 3dh3 s ASN 89 Ca 0.59 2.33 0.17 0.00 -0.94 0.00 0.00 52.86 55.01 3dh3 s ASN 89 Cb 0.48 -2.60 0.99 0.00 -2.00 0.00 0.00 41.25 38.12 3dh3 s ASN 89 CO 0.06 -1.04 1.93 -0.29 -2.94 0.00 0.00 177.10 174.83 3dh3 h ILE 90 N 1.72 1.03 -0.12 0.54 2.10 -1.04 -2.81 117.51 118.93 3dh3 h ILE 90 Ca -0.50 -0.90 -0.05 0.00 1.08 0.00 0.00 64.86 64.50 3dh3 h ILE 90 Cb 1.26 1.50 -0.00 0.00 -1.09 0.00 0.00 36.82 38.49 3dh3 h ILE 90 CO 0.59 0.24 -0.11 0.58 -1.08 0.00 0.00 178.15 178.38 3dh3 h VAL 91 N 0.00 1.35 -0.07 2.19 2.07 -1.85 -2.09 116.25 117.84 3dh3 h VAL 91 Ca -0.00 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3dh3 h VAL 91 Cb 0.48 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3dh3 h VAL 91 CO 0.03 0.36 -0.28 0.44 0.02 0.00 0.00 177.57 178.15 3dh3 h ASP 92 N -0.10 0.13 -0.20 0.57 3.32 -1.90 -0.90 116.42 117.34 3dh3 h ASP 92 Ca 0.02 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3dh3 h ASP 92 Cb 0.62 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3dh3 h ASP 92 CO 0.03 0.41 0.05 0.15 -1.72 0.00 0.00 179.24 178.16 3dh3 h PHE 93 N 0.12 0.33 0.00 4.55 3.04 -1.22 -2.46 116.94 121.30 3dh3 h PHE 93 Ca 0.02 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.84 3dh3 h PHE 93 Cb 0.56 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 3dh3 h PHE 93 CO 0.00 0.44 -0.44 -0.39 -2.02 0.00 0.00 178.31 175.90 3dh3 h VAL 94 N 0.13 0.96 -6.66 1.41 -1.51 -1.25 -3.47 116.25 105.86 3dh3 h VAL 94 Ca 0.06 -1.77 -0.53 0.00 -1.23 0.00 0.00 66.70 63.23 3dh3 h VAL 94 Cb 0.27 2.07 -0.04 0.00 -2.13 0.00 0.00 31.29 31.46 3dh3 h VAL 94 CO 0.00 0.43 -0.95 -3.20 -1.23 0.00 0.00 177.57 172.62 3dh3 n ASN 95 N -3.49 -2.21 -4.81 4.19 4.05 -0.35 -4.92 115.26 107.72 3dh3 n ASN 95 Ca 0.00 -1.14 -0.33 0.00 0.45 0.00 0.00 54.58 53.56 3dh3 n ASN 95 Cb 0.57 -2.49 0.00 0.00 1.23 0.00 0.00 39.78 39.10 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 -3.82 3.04 0.22 1.20 2.46 -1.26 -4.96 115.29 112.16 3dh3 s HIS 96 Ca 0.24 1.51 -0.01 0.00 0.47 0.00 0.00 55.06 57.27 3dh3 s HIS 96 Cb -0.11 -2.99 0.20 0.00 -0.13 0.00 0.00 32.58 29.55 3dh3 s HIS 96 CO 0.93 -1.01 1.57 0.66 -2.47 0.00 0.00 174.74 174.41 3dh3 h SER 97 N 0.57 0.57 -2.52 9.88 4.64 -1.99 -3.45 113.55 121.25 3dh3 h SER 97 Ca -0.47 -0.27 -0.47 0.00 -0.47 0.00 0.00 61.79 60.11 3dh3 h SER 97 Cb 1.22 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3dh3 h SER 97 CO 0.58 0.95 -0.27 -0.54 -0.87 0.00 0.00 176.83 176.68 3dh3 s LYS 98 N -4.14 3.40 0.06 4.77 1.02 -1.26 -5.05 119.74 118.54 3dh3 s LYS 98 Ca -0.07 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 3dh3 s LYS 98 Cb 0.12 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 3dh3 s LYS 98 CO 0.83 0.19 1.61 0.50 -0.92 0.00 0.00 175.35 177.56 3dh3 s ARG 99 N -4.22 4.21 0.04 1.68 3.52 -1.26 -5.00 118.95 117.92 3dh3 s ARG 99 Ca 0.39 2.27 -0.02 0.00 -0.13 0.00 0.00 55.73 58.24 3dh3 s ARG 99 Cb -0.09 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 3dh3 s ARG 99 CO 0.34 -0.71 0.02 0.14 -0.81 0.00 0.00 175.30 174.27 3dh3 s VAL 100 N 2.63 0.16 0.08 7.11 -7.23 -1.26 -4.43 120.40 117.46 3dh3 s VAL 100 Ca 0.72 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.62 3dh3 s VAL 100 Cb -0.38 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 3dh3 s VAL 100 CO 0.31 -0.72 -0.10 0.72 -0.31 0.00 0.00 175.10 175.00 3dh3 s PHE 101 N -2.80 1.00 0.11 2.82 -0.12 0.16 -4.89 117.98 114.26 3dh3 s PHE 101 Ca -0.03 -0.61 -0.29 0.00 -0.05 0.00 0.00 56.93 55.95 3dh3 s PHE 101 Cb -0.00 -0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 3dh3 s PHE 101 CO -0.06 -0.02 0.91 -1.25 -0.05 0.00 0.00 175.22 174.76 3dh3 s PRO 102 N -2.45 4.67 -0.48 1.99 0.04 -1.26 -0.26 135.00 137.25 3dh3 s PRO 102 Ca 0.02 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3dh3 s PRO 102 Cb -0.05 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.16 3dh3 s PRO 102 CO 0.00 0.26 1.17 0.42 0.04 0.00 0.00 177.00 178.89 3dh3 s ILE 103 N -0.14 4.17 0.02 0.56 1.01 -0.44 -4.82 121.20 121.56 3dh3 s ILE 103 Ca 0.44 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.28 3dh3 s ILE 103 Cb -0.23 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.66 3dh3 s ILE 103 CO 0.28 -1.01 0.00 0.61 0.00 0.00 0.00 174.94 174.82 3dh3 n GLY 104 N 4.89 -2.10 2.96 6.18 0.00 -1.26 -4.48 105.19 111.37 3dh3 n GLY 104 Ca 0.12 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.53 0.12 0.31 1.61 0.52 -1.26 -5.00 118.95 114.71 3dh3 s ARG 105 Ca 0.00 0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 55.67 3dh3 s ARG 105 Cb 0.00 -0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.25 3dh3 s ARG 105 CO 0.00 -0.24 0.68 -0.51 0.02 0.00 0.00 175.30 175.25 3dh3 s LEU 106 N 1.92 4.05 0.70 2.53 1.43 -1.26 -5.04 118.68 123.01 3dh3 s LEU 106 Ca -0.02 1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 54.05 3dh3 s LEU 106 Cb -0.12 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.19 3dh3 s LEU 106 CO -0.07 -0.20 1.24 -1.81 0.23 0.00 0.00 176.35 175.73 3dh3 s ASP 107 N -2.48 4.36 0.17 2.29 1.01 -1.26 -4.19 116.67 116.57 3dh3 s ASP 107 Ca 0.51 2.45 -0.15 0.00 0.71 0.00 0.00 52.55 56.08 3dh3 s ASP 107 Cb -0.10 -2.60 0.12 0.00 1.01 0.00 0.00 42.92 41.34 3dh3 s ASP 107 CO 0.21 -2.16 1.71 0.50 0.21 0.00 0.00 175.17 175.65 3dh3 h LYS 108 N 0.04 0.17 0.00 8.23 3.64 -1.94 -1.56 116.57 125.16 3dh3 h LYS 108 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dh3 h LYS 108 Cb 1.31 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3dh3 h LYS 108 CO 0.51 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 3dh3 n ASP 109 N -5.13 0.00 -4.82 4.20 3.85 -1.26 0.10 116.55 113.49 3dh3 n ASP 109 Ca 0.03 0.12 -0.23 0.00 -0.71 0.00 0.00 54.79 54.00 3dh3 n ASP 109 Cb 0.20 -0.37 0.08 0.00 -1.35 0.00 0.00 41.12 39.67 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 -2.74 4.75 0.15 -1.12 0.01 -0.59 -4.74 113.70 109.42 3dh3 s SER 110 Ca 0.23 -0.20 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 3dh3 s SER 110 Cb 0.20 -0.39 0.07 0.00 0.21 0.00 0.00 66.02 66.10 3dh3 s SER 110 CO 0.49 -1.56 0.65 0.00 0.41 0.00 0.00 173.24 173.23 3dh3 s GLN 111 N -4.99 1.27 0.00 12.44 -2.07 -0.48 -3.98 119.66 121.85 3dh3 s GLN 111 Ca 0.62 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 3dh3 s GLN 111 Cb -0.08 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3dh3 s GLN 111 CO 0.42 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 3dh3 n GLY 112 N -0.37 0.53 3.75 2.60 0.00 0.01 -1.02 105.19 110.69 3dh3 n GLY 112 Ca -0.15 -1.95 -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 4.49 -0.25 0.99 2.96 0.28 -0.07 118.68 127.07 3dh3 s LEU 113 Ca 0.00 2.35 -0.22 0.00 -0.22 0.00 0.00 54.13 56.04 3dh3 s LEU 113 Cb 0.00 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.13 3dh3 s LEU 113 CO 0.00 -0.32 0.67 -0.51 -1.32 0.00 0.00 176.35 174.87 3dh3 s ILE 114 N -0.72 -0.00 0.18 6.68 2.07 -0.39 -4.84 121.20 124.18 3dh3 s ILE 114 Ca 0.49 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.61 3dh3 s ILE 114 Cb -0.34 -0.93 -0.07 0.00 0.13 0.00 0.00 42.46 41.25 3dh3 s ILE 114 CO 0.42 0.00 0.54 -0.36 -1.91 0.00 0.00 174.94 173.63 3dh3 s PHE 115 N 0.49 3.52 0.06 3.50 2.99 -1.26 -0.35 117.98 126.93 3dh3 s PHE 115 Ca -0.01 0.97 0.07 0.00 0.00 0.00 0.00 56.93 57.96 3dh3 s PHE 115 Cb -0.05 -2.31 -0.03 0.00 0.00 0.00 0.00 43.02 40.63 3dh3 s PHE 115 CO -0.01 0.36 -0.19 -0.51 -0.00 0.00 0.00 175.22 174.86 3dh3 s LEU 116 N -2.33 2.20 0.15 -0.37 1.02 -0.31 -1.32 118.68 117.72 3dh3 s LEU 116 Ca 0.42 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.90 3dh3 s LEU 116 Cb -0.13 -0.88 0.00 0.00 0.02 0.00 0.00 46.19 45.20 3dh3 s LEU 116 CO 0.20 0.11 0.32 0.28 0.02 0.00 0.00 176.35 177.28 3dh3 s THR 117 N -0.91 0.08 -0.78 5.49 -1.32 0.65 -1.54 115.64 117.30 3dh3 s THR 117 Ca 0.06 -1.14 0.07 0.00 -1.21 0.00 0.00 61.69 59.47 3dh3 s THR 117 Cb -0.09 -1.61 0.13 0.00 -1.51 0.00 0.00 72.50 69.42 3dh3 s THR 117 CO 0.02 -0.34 0.96 -0.46 -2.21 0.00 0.00 174.62 172.59 3dh3 n ASN 118 N -0.21 2.14 -4.15 8.08 6.94 -1.14 0.37 115.26 127.30 3dh3 n ASN 118 Ca -0.10 -1.66 -0.38 0.00 -0.02 0.00 0.00 54.58 52.41 3dh3 n ASN 118 Cb 0.63 -0.08 -0.09 0.00 -2.36 0.00 0.00 39.78 37.88 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 -0.82 3.49 -2.00 -2.53 2.46 -1.26 -4.92 115.29 109.72 3dh3 s HIS 119 Ca 0.12 -2.40 0.17 0.00 0.47 0.00 0.00 55.06 53.42 3dh3 s HIS 119 Cb 0.07 -3.32 0.99 0.00 -0.13 0.00 0.00 32.58 30.19 3dh3 s HIS 119 CO 0.10 -0.92 1.41 0.41 -2.47 0.00 0.00 174.74 173.27 3dh3 n GLY 120 N 4.12 -0.61 0.07 1.59 0.00 -1.26 -2.77 105.19 106.32 3dh3 n GLY 120 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.06 0.66 1.61 3.32 -2.02 -3.31 116.42 116.74 3dh3 h ASP 121 Ca 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3dh3 h ASP 121 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dh3 h ASP 121 CO 0.00 1.06 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.09 3dh3 h LEU 122 N 0.01 0.00 0.11 1.55 3.38 -1.97 -3.33 115.31 115.06 3dh3 h LEU 122 Ca -0.10 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3dh3 h LEU 122 Cb 1.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 3dh3 h LEU 122 CO 0.12 0.42 -0.47 0.58 0.09 0.00 0.00 178.44 179.18 3dh3 h VAL 123 N 0.00 0.00 0.00 1.22 2.07 -1.74 -0.60 116.25 117.20 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 0.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3dh3 h VAL 123 CO 0.05 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.42 3dh3 h ASN 124 N -0.68 0.00 0.15 0.57 2.35 -1.80 -2.27 115.58 113.90 3dh3 h ASN 124 Ca -0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3dh3 h ASN 124 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3dh3 h ASN 124 CO -0.25 0.00 -0.80 0.11 -1.65 0.00 0.00 177.43 174.84 3dh3 h LYS 125 N 0.00 0.53 0.06 0.81 1.57 -1.44 -2.23 116.57 115.87 3dh3 h LYS 125 Ca 0.00 -0.46 -0.24 0.00 -1.87 0.00 0.00 60.65 58.08 3dh3 h LYS 125 Cb 0.71 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3dh3 h LYS 125 CO 0.00 1.09 -1.09 0.82 -0.57 0.00 0.00 179.45 179.70 3dh3 h ILE 126 N 0.35 1.56 0.16 1.86 2.04 -1.07 -3.39 117.51 119.02 3dh3 h ILE 126 Ca -0.05 -3.07 -0.35 0.00 1.00 0.00 0.00 64.86 62.39 3dh3 h ILE 126 Cb 1.41 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 40.29 3dh3 h ILE 126 CO 0.15 0.89 -1.80 -0.07 0.00 0.00 0.00 178.15 177.32 3dh3 h LEU 127 N 0.06 0.52 -9.54 1.44 4.07 -1.41 -3.43 115.31 107.02 3dh3 h LEU 127 Ca -0.08 -0.86 -0.53 0.00 0.08 0.00 0.00 57.88 56.49 3dh3 h LEU 127 Cb 1.81 -0.17 0.04 0.00 1.08 0.00 0.00 40.66 43.42 3dh3 h LEU 127 CO 0.17 1.74 0.96 -0.13 -1.08 0.00 0.00 178.44 180.10 3dh3 s ARG 128 N -2.58 4.19 0.30 1.13 0.52 -0.84 -4.80 118.95 116.87 3dh3 s ARG 128 Ca -0.16 2.40 0.05 0.00 -0.52 0.00 0.00 55.73 57.49 3dh3 s ARG 128 Cb 0.06 -3.35 0.72 0.00 0.52 0.00 0.00 34.95 32.90 3dh3 s ARG 128 CO 0.83 -0.69 1.76 0.00 0.02 0.00 0.00 175.30 177.22 3dh3 h ALA 129 N 7.54 1.61 -1.11 2.13 0.00 -1.92 0.23 119.26 127.74 3dh3 h ALA 129 Ca -0.43 0.09 0.31 0.00 0.00 0.00 0.00 54.91 54.88 3dh3 h ALA 129 Cb 1.20 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3dh3 h ALA 129 CO 0.93 -0.10 0.76 0.78 0.00 0.00 0.00 179.25 181.62 3dh3 h GLY 130 N 0.70 0.61 0.13 0.00 0.00 -1.90 0.05 103.07 102.66 3dh3 h GLY 130 Ca 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3dh3 h GLY 130 CO -0.40 -0.08 0.00 0.70 0.00 0.00 0.00 176.54 176.76 3dh3 n ASN 131 N -4.41 0.88 -3.92 0.19 3.02 0.80 -4.93 115.26 106.90 3dh3 n ASN 131 Ca 0.26 -1.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 3dh3 n ASN 131 Cb 1.08 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 40.27 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 -0.31 -4.64 -4.42 6.41 2.03 0.00 -4.95 116.55 110.67 3dh3 n ASP 132 Ca 0.21 -1.19 -0.33 0.00 0.52 0.00 0.00 54.79 54.00 3dh3 n ASP 132 Cb 0.25 -2.35 -0.13 0.00 -0.72 0.00 0.00 41.12 38.17 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 -3.49 2.88 0.00 -0.67 3.76 -1.26 -5.08 115.29 111.43 3dh3 s HIS 133 Ca 0.48 -0.50 -0.18 0.00 -0.15 0.00 0.00 55.06 54.71 3dh3 s HIS 133 Cb -0.23 -1.88 -0.06 0.00 1.11 0.00 0.00 32.58 31.53 3dh3 s HIS 133 CO 0.93 -0.13 0.52 -1.83 -0.85 0.00 0.00 174.74 173.37 3dh3 s GLU 134 N 0.31 4.17 -0.06 1.40 -1.05 -1.26 -4.28 118.70 117.93 3dh3 s GLU 134 Ca -0.08 0.60 0.03 0.00 -0.15 0.00 0.00 54.97 55.37 3dh3 s GLU 134 Cb -0.15 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 3dh3 s GLU 134 CO 0.05 0.51 -0.16 -1.59 0.95 0.00 0.00 175.26 175.02 3dh3 s LYS 135 N -0.60 1.97 -0.11 -4.83 0.00 0.76 -0.27 119.74 116.66 3dh3 s LYS 135 Ca 0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 55.97 55.66 3dh3 s LYS 135 Cb -0.18 -1.62 -0.03 0.00 0.00 0.00 0.00 37.83 36.01 3dh3 s LYS 135 CO 0.16 0.14 -0.06 -2.00 0.00 0.00 0.00 175.35 173.58 3dh3 s GLU 136 N 0.36 3.22 0.01 1.78 2.12 0.64 -0.98 118.70 125.87 3dh3 s GLU 136 Ca -0.11 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.73 3dh3 s GLU 136 Cb -0.15 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3dh3 s GLU 136 CO 0.04 0.43 -0.17 0.71 -0.54 0.00 0.00 175.26 175.73 3dh3 s TYR 137 N -0.18 1.51 -0.24 5.30 1.51 0.55 -0.93 117.35 124.86 3dh3 s TYR 137 Ca 0.03 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3dh3 s TYR 137 Cb -0.13 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 3dh3 s TYR 137 CO 0.03 0.02 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.30 3dh3 s LEU 138 N -0.75 3.16 -0.06 -1.29 2.96 0.23 -0.74 118.68 122.19 3dh3 s LEU 138 Ca 0.06 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3dh3 s LEU 138 Cb -0.07 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3dh3 s LEU 138 CO 0.00 -0.06 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.05 3dh3 s VAL 139 N 1.48 1.93 -0.09 1.68 1.01 0.62 -1.18 120.40 125.85 3dh3 s VAL 139 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3dh3 s VAL 139 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3dh3 s VAL 139 CO -0.02 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.64 3dh3 s THR 140 N 0.01 3.43 0.35 3.92 2.01 -0.07 -0.96 115.64 124.34 3dh3 s THR 140 Ca -0.07 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.45 3dh3 s THR 140 Cb -0.14 -2.42 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 3dh3 s THR 140 CO 0.05 0.56 -0.05 0.68 -0.69 0.00 0.00 174.62 175.17 3dh3 s VAL 141 N -0.31 2.01 -0.03 3.82 -7.23 -0.32 0.11 120.40 118.46 3dh3 s VAL 141 Ca 0.04 -2.12 -0.17 0.00 -1.81 0.00 0.00 61.98 57.92 3dh3 s VAL 141 Cb -0.13 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 3dh3 s VAL 141 CO 0.02 -0.14 0.73 -2.24 -0.31 0.00 0.00 175.10 173.16 3dh3 h ASP 142 N 1.99 -0.45 -4.49 4.85 2.03 -1.67 -3.46 116.42 115.22 3dh3 h ASP 142 Ca -0.42 -0.04 -0.48 0.00 -0.73 0.00 0.00 57.03 55.35 3dh3 h ASP 142 Cb 1.24 0.12 0.09 0.00 -0.83 0.00 0.00 39.33 39.95 3dh3 h ASP 142 CO 0.73 -0.01 0.40 -0.54 -1.03 0.00 0.00 179.24 178.79 3dh3 s LYS 143 N -3.51 2.47 0.27 4.15 1.02 -1.26 -5.04 119.74 117.83 3dh3 s LYS 143 Ca -0.09 0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 3dh3 s LYS 143 Cb 0.01 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 3dh3 s LYS 143 CO 0.30 -1.29 0.98 -2.14 -0.92 0.00 0.00 175.35 172.28 3dh3 s PRO 144 N -5.40 4.75 -0.35 -1.68 0.02 -1.26 -4.79 135.00 126.29 3dh3 s PRO 144 Ca 0.60 1.54 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 3dh3 s PRO 144 Cb -0.11 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3dh3 s PRO 144 CO 0.51 0.40 1.36 0.42 -0.33 0.00 0.00 177.00 179.36 3dh3 s ILE 145 N -1.25 4.01 0.61 2.83 1.01 0.45 -5.02 121.20 123.84 3dh3 s ILE 145 Ca 0.44 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 62.16 3dh3 s ILE 145 Cb -0.26 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.08 3dh3 s ILE 145 CO 0.33 -0.61 0.87 0.42 0.00 0.00 0.00 174.94 175.95 3dh3 s THR 146 N 4.90 2.59 -0.11 2.92 -4.23 -1.26 -5.00 115.64 115.46 3dh3 s THR 146 Ca 0.59 -0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 60.34 3dh3 s THR 146 Cb -0.15 -3.03 -0.25 0.00 1.34 0.00 0.00 72.50 70.40 3dh3 s THR 146 CO 0.28 -0.03 0.88 -0.33 -0.54 0.00 0.00 174.62 174.88 3dh3 h GLU 147 N -0.19 0.04 -0.26 3.99 5.08 -1.98 -2.21 114.58 119.05 3dh3 h GLU 147 Ca -0.43 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3dh3 h GLU 147 Cb 1.30 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 3dh3 h GLU 147 CO 0.56 0.94 -0.04 -1.91 -1.00 0.00 0.00 179.01 177.56 3dh3 n GLU 148 N -4.60 -0.02 0.13 2.33 4.07 -1.26 0.40 120.64 121.69 3dh3 n GLU 148 Ca -0.10 0.40 -0.06 0.00 -0.06 0.00 0.00 57.16 57.35 3dh3 n GLU 148 Cb 0.48 -0.62 -0.03 0.00 -0.06 0.00 0.00 31.44 31.21 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 -0.35 -0.96 4.31 3.57 -1.94 -2.18 116.94 119.38 3dh3 h PHE 149 Ca 0.14 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.81 3dh3 h PHE 149 Cb 0.24 0.12 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 3dh3 h PHE 149 CO -0.18 -0.22 0.55 0.82 -2.23 0.00 0.00 178.31 177.06 3dh3 h ILE 150 N -0.76 0.70 0.74 1.41 2.04 -0.30 0.11 117.51 121.44 3dh3 h ILE 150 Ca -0.04 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3dh3 h ILE 150 Cb 0.29 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3dh3 h ILE 150 CO 0.06 0.13 -0.35 -0.09 0.00 0.00 0.00 178.15 177.90 3dh3 h ARG 151 N 0.71 -0.95 -0.01 2.37 2.43 -0.17 -1.76 114.38 117.00 3dh3 h ARG 151 Ca 0.55 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3dh3 h ARG 151 Cb 0.84 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3dh3 h ARG 151 CO -0.39 -0.63 0.01 0.78 -1.51 0.00 0.00 179.97 178.23 3dh3 h GLY 152 N -1.19 0.00 0.86 2.80 0.00 -0.94 0.41 103.07 105.01 3dh3 h GLY 152 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 3dh3 h GLY 152 CO 0.17 0.00 -0.84 1.98 0.00 0.00 0.00 176.54 177.85 3dh3 h MET 153 N 0.00 0.43 -0.00 4.80 1.85 -0.82 -3.20 114.93 117.98 3dh3 h MET 153 Ca 0.00 -0.56 0.00 0.00 -0.61 0.00 0.00 59.70 58.53 3dh3 h MET 153 Cb 0.02 0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.23 3dh3 h MET 153 CO -0.00 1.22 0.00 1.03 -0.40 0.00 0.00 176.91 178.77 3dh3 h SER 154 N -0.10 0.00 -0.47 1.39 0.87 -0.24 -3.11 113.55 111.88 3dh3 h SER 154 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3dh3 h SER 154 Cb 1.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 3dh3 h SER 154 CO 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 3dh3 n ALA 155 N -2.33 3.41 -0.80 6.23 0.00 -0.00 -1.55 120.51 125.46 3dh3 n ALA 155 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.99 3dh3 n ALA 155 Cb 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.63 -4.01 3.28 0.00 0.00 -1.18 -4.79 105.19 99.12 3dh3 n GLY 156 Ca 0.21 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.20 1.78 -0.51 1.61 0.11 -1.25 -4.80 120.40 117.14 3dh3 s VAL 157 Ca 0.00 -1.32 -0.25 0.00 -2.93 0.00 0.00 61.98 57.48 3dh3 s VAL 157 Cb 0.00 -1.56 0.03 0.00 -1.53 0.00 0.00 36.38 33.33 3dh3 s VAL 157 CO 0.00 0.18 0.93 -2.16 -3.33 0.00 0.00 175.10 170.72 3dh3 s PRO 158 N -1.36 3.42 0.00 1.54 0.04 -1.26 -0.35 135.00 137.03 3dh3 s PRO 158 Ca 0.08 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3dh3 s PRO 158 Cb -0.09 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.45 3dh3 s PRO 158 CO 0.02 -1.37 0.00 0.44 0.04 0.00 0.00 177.00 176.14 3dh3 n ILE 159 N 6.30 0.00 -2.32 0.56 -5.35 0.36 -4.89 119.36 114.01 3dh3 n ILE 159 Ca 0.04 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.09 3dh3 n ILE 159 Cb 0.48 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 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 5.80 -2.10 7.28 4.77 -1.26 -3.99 117.00 127.50 3dh3 n LEU 160 Ca 0.00 -4.14 -0.14 0.00 -0.03 0.00 0.00 56.01 51.71 3dh3 n LEU 160 Cb 0.00 -1.67 -0.02 0.00 -2.33 0.00 0.00 43.42 39.39 3dh3 n LEU 160 CO 0.00 0.67 -0.16 0.61 -1.33 0.00 0.00 177.39 177.18 3dh3 n GLY 161 N 4.53 0.09 0.22 -0.72 0.00 -1.26 -4.85 105.19 103.19 3dh3 n GLY 161 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.97 0.00 -4.10 2.61 5.66 -1.26 -5.18 114.28 109.04 3dh3 n THR 162 Ca -0.15 -0.07 -0.15 0.00 -3.05 0.00 0.00 64.05 60.63 3dh3 n THR 162 Cb 0.57 0.06 -0.14 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.89 0.33 0.36 1.08 -7.23 -1.26 -0.49 120.40 110.30 3dh3 s VAL 163 Ca 0.01 -0.18 -0.28 0.00 -1.81 0.00 0.00 61.98 59.72 3dh3 s VAL 163 Cb -0.00 -0.29 -0.11 0.00 0.56 0.00 0.00 36.38 36.54 3dh3 s VAL 163 CO 0.01 0.10 1.39 0.42 -0.31 0.00 0.00 175.10 176.71 3dh3 s THR 164 N -0.08 2.38 0.32 5.32 -4.23 0.53 -4.84 115.64 115.04 3dh3 s THR 164 Ca 0.01 0.38 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 3dh3 s THR 164 Cb -0.02 -3.24 -0.12 0.00 1.34 0.00 0.00 72.50 70.45 3dh3 s THR 164 CO -0.00 0.09 1.33 1.17 -0.54 0.00 0.00 174.62 176.67 3dh3 n LYS 165 N 0.59 2.15 -0.71 3.99 4.81 -1.26 -3.87 118.16 123.85 3dh3 n LYS 165 Ca 0.01 0.76 -0.30 0.00 -0.87 0.00 0.00 58.31 57.90 3dh3 n LYS 165 Cb 0.41 -2.36 0.18 0.00 0.02 0.00 0.00 35.03 33.28 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 -1.56 0.56 -0.01 1.64 -2.85 -1.26 -4.50 119.74 111.76 3dh3 s LYS 166 Ca 0.58 1.30 -0.28 0.00 -1.00 0.00 0.00 55.97 56.57 3dh3 s LYS 166 Cb -0.58 -1.69 0.09 0.00 -2.06 0.00 0.00 37.83 33.59 3dh3 s LYS 166 CO 0.59 -2.86 1.28 0.00 0.10 0.00 0.00 175.35 174.46 3dh3 s LYS 168 N -2.02 4.33 -0.12 0.00 3.01 -1.22 -4.58 119.74 119.14 3dh3 s LYS 168 Ca 0.30 1.37 -0.01 0.00 -1.01 0.00 0.00 55.97 56.61 3dh3 s LYS 168 Cb -0.01 -3.60 0.04 0.00 -1.01 0.00 0.00 37.83 33.25 3dh3 s LYS 168 CO -0.00 -0.49 -0.01 0.08 0.51 0.00 0.00 175.35 175.43 3dh3 s VAL 169 N 2.67 0.64 -0.05 3.17 1.01 -1.26 -1.02 120.40 125.56 3dh3 s VAL 169 Ca 0.46 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3dh3 s VAL 169 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3dh3 s VAL 169 CO 0.11 0.15 -0.15 -0.75 0.00 0.00 0.00 175.10 174.47 3dh3 s LYS 170 N 1.84 1.71 0.56 2.72 2.20 0.02 -4.94 119.74 123.86 3dh3 s LYS 170 Ca 0.03 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 54.94 3dh3 s LYS 170 Cb -0.14 -1.46 -0.05 0.00 -1.51 0.00 0.00 37.83 34.67 3dh3 s LYS 170 CO -0.07 0.16 1.06 0.21 -0.36 0.00 0.00 175.35 176.35 3dh3 s LYS 171 N 0.27 3.47 0.09 4.03 2.20 -1.26 -0.09 119.74 128.44 3dh3 s LYS 171 Ca -0.08 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 3dh3 s LYS 171 Cb -0.13 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 3dh3 s LYS 171 CO 0.03 -0.70 0.00 0.39 -0.36 0.00 0.00 175.35 174.71 3dh3 n GLU 172 N -1.65 0.00 -4.24 4.03 -0.58 0.22 -4.80 120.64 113.62 3dh3 n GLU 172 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.54 3dh3 n GLU 172 Cb 0.53 -0.26 -0.03 0.00 -0.57 0.00 0.00 31.44 31.10 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 4.37 -0.46 0.62 0.00 -0.73 -4.98 121.76 118.58 3dh3 s ALA 173 Ca 0.00 -0.81 0.25 0.00 0.00 0.00 0.00 51.96 51.40 3dh3 s ALA 173 Cb 0.00 -0.44 0.98 0.00 0.00 0.00 0.00 23.12 23.66 3dh3 s ALA 173 CO 0.00 -0.29 1.75 -1.00 0.00 0.00 0.00 175.76 176.22 3dh3 h PRO 174 N 0.95 0.00 -0.00 0.00 0.13 -1.99 -3.22 132.00 127.87 3dh3 h PRO 174 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3dh3 h PRO 174 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3dh3 h PRO 174 CO 0.63 0.00 -0.19 1.19 -0.23 0.00 0.00 178.00 179.40 3dh3 n PHE 175 N -2.35 0.00 -4.80 1.56 3.01 -1.26 -0.41 117.46 113.21 3dh3 n PHE 175 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 3dh3 n PHE 175 Cb 0.28 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.31 1.61 0.14 -4.37 1.01 -1.22 -1.17 120.40 115.10 3dh3 s VAL 176 Ca 0.02 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.34 3dh3 s VAL 176 Cb 0.04 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3dh3 s VAL 176 CO 0.18 0.46 -0.18 0.72 0.00 0.00 0.00 175.10 176.28 3dh3 s PHE 177 N 0.62 1.72 -0.10 5.22 -0.12 -0.13 -0.61 117.98 124.58 3dh3 s PHE 177 Ca -0.14 -0.48 -0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3dh3 s PHE 177 Cb -0.16 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 3dh3 s PHE 177 CO 0.04 0.27 0.09 0.50 -0.05 0.00 0.00 175.22 176.07 3dh3 s ARG 178 N -2.62 3.26 -0.05 1.99 3.52 0.87 -0.27 118.95 125.65 3dh3 s ARG 178 Ca 0.13 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.44 3dh3 s ARG 178 Cb -0.06 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 3dh3 s ARG 178 CO 0.05 0.74 0.12 -1.50 -0.81 0.00 0.00 175.30 173.91 3dh3 s ILE 179 N -1.00 -0.03 -0.18 4.11 2.07 0.08 -0.80 121.20 125.44 3dh3 s ILE 179 Ca 0.15 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.49 3dh3 s ILE 179 Cb -0.12 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.28 3dh3 s ILE 179 CO 0.05 0.05 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.12 3dh3 s THR 180 N 0.73 2.87 0.30 4.00 2.01 -0.19 -0.33 115.64 125.03 3dh3 s THR 180 Ca -0.06 -0.68 0.09 0.00 0.31 0.00 0.00 61.69 61.35 3dh3 s THR 180 Cb -0.07 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3dh3 s THR 180 CO -0.03 0.49 0.07 -0.76 -0.69 0.00 0.00 174.62 173.69 3dh3 s LEU 181 N 1.11 3.24 0.00 4.42 1.43 -0.15 -3.42 118.68 125.31 3dh3 s LEU 181 Ca 0.01 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3dh3 s LEU 181 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3dh3 s LEU 181 CO -0.03 -0.14 0.35 0.55 0.23 0.00 0.00 176.35 177.31 3dh3 n VAL 182 N -1.02 0.00 -4.19 -1.59 3.14 -1.26 -0.17 118.33 113.25 3dh3 n VAL 182 Ca -0.05 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.74 3dh3 n VAL 182 Cb 0.60 1.00 -0.03 0.00 -1.06 0.00 0.00 33.84 34.36 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 -0.30 0.79 -2.72 1.45 10.64 -1.26 -4.17 117.38 121.80 3dh3 n GLN 183 Ca 0.00 -1.29 -0.08 0.00 -1.83 0.00 0.00 57.00 53.80 3dh3 n GLN 183 Cb 0.00 0.71 0.08 0.00 -0.86 0.00 0.00 30.24 30.17 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 1.14 0.04 3.67 2.61 0.00 -1.26 -4.96 105.19 106.42 3dh3 n GLY 184 Ca -0.02 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.53 2.43 -0.02 0.99 1.43 -1.26 -4.82 118.68 115.89 3dh3 s LEU 185 Ca 0.25 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 3dh3 s LEU 185 Cb 0.27 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 3dh3 s LEU 185 CO -0.13 -3.00 1.99 -3.20 0.23 0.00 0.00 176.35 172.24 3dh3 n ASN 186 N -4.15 3.92 -2.44 2.29 2.85 -1.26 -1.36 115.26 115.11 3dh3 n ASN 186 Ca 0.09 0.84 -0.11 0.00 -0.11 0.00 0.00 54.58 55.29 3dh3 n ASN 186 Cb 0.53 -1.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.05 3dh3 n ASN 186 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3dh3 n ARG 187 N 7.50 -2.28 -0.40 1.20 1.74 -1.26 -4.83 116.66 118.33 3dh3 n ARG 187 Ca 0.22 0.55 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 3dh3 n ARG 187 Cb 0.39 -5.14 -0.09 0.00 -1.02 0.00 0.00 32.46 26.60 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 0.00 -0.02 -0.72 5.56 4.15 -1.56 -0.67 115.11 121.85 3dh3 h GLN 188 Ca -0.27 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 3dh3 h GLN 188 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 3dh3 h GLN 188 CO 0.32 -0.01 0.36 0.82 -1.93 0.00 0.00 178.83 178.39 3dh3 h ILE 189 N -0.02 1.23 -0.75 2.39 2.04 -1.88 0.56 117.51 121.08 3dh3 h ILE 189 Ca 0.17 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3dh3 h ILE 189 Cb 0.43 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3dh3 h ILE 189 CO -0.92 0.27 0.45 0.03 0.00 0.00 0.00 178.15 177.97 3dh3 h ARG 190 N 1.00 0.81 -0.02 2.37 3.08 -1.53 -0.85 114.38 119.25 3dh3 h ARG 190 Ca 0.25 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 3dh3 h ARG 190 Cb 0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3dh3 h ARG 190 CO -0.03 0.54 -0.63 0.00 -1.07 0.00 0.00 179.97 178.78 3dh3 h ARG 191 N 0.84 0.08 -0.25 0.04 3.08 -0.44 -2.42 114.38 115.30 3dh3 h ARG 191 Ca 0.32 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 3dh3 h ARG 191 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3dh3 h ARG 191 CO -0.16 0.68 -0.12 0.52 -1.07 0.00 0.00 179.97 179.82 3dh3 h MET 192 N 0.05 0.53 -0.39 0.04 2.86 -0.22 -2.84 114.93 114.96 3dh3 h MET 192 Ca -0.01 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 3dh3 h MET 192 Cb 1.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 3dh3 h MET 192 CO 0.09 0.78 0.14 0.00 1.06 0.00 0.00 176.91 178.98 3dh3 h GLU 194 N 0.49 0.81 -0.81 0.00 5.08 -0.93 0.86 114.58 120.09 3dh3 h GLU 194 Ca 0.13 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 3dh3 h GLU 194 Cb 0.22 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3dh3 h GLU 194 CO -0.01 0.54 0.53 1.25 -1.00 0.00 0.00 179.01 180.32 3dh3 h HIS 195 N 0.84 0.74 -0.67 4.33 2.76 -1.21 -0.29 115.15 121.64 3dh3 h HIS 195 Ca 0.45 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.49 3dh3 h HIS 195 Cb 0.55 -0.24 -0.09 0.00 1.55 0.00 0.00 27.41 29.19 3dh3 h HIS 195 CO -0.00 0.32 0.20 1.19 -1.30 0.00 0.00 177.93 178.33 3dh3 n PHE 196 N -4.52 2.26 -0.87 5.26 0.99 0.22 -4.93 117.46 115.88 3dh3 n PHE 196 Ca 0.14 -1.02 0.00 0.00 -0.00 0.00 0.00 57.45 56.57 3dh3 n PHE 196 Cb 0.40 -0.62 0.00 0.00 -1.00 0.00 0.00 39.48 38.26 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 0.07 0.41 3.91 1.37 0.00 -0.12 -4.99 105.19 105.84 3dh3 n GLY 197 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.10 3.48 -0.05 1.61 1.51 -0.76 -4.90 117.35 116.14 3dh3 s TYR 198 Ca 0.00 0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.59 3dh3 s TYR 198 Cb 0.00 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3dh3 s TYR 198 CO 0.00 0.28 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.60 3dh3 s GLU 199 N -3.40 1.53 0.27 -0.62 2.12 -1.26 -2.17 118.70 115.17 3dh3 s GLU 199 Ca 0.41 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 3dh3 s GLU 199 Cb -0.11 -1.30 -0.09 0.00 0.26 0.00 0.00 34.13 32.88 3dh3 s GLU 199 CO 0.29 0.08 1.15 0.08 -0.54 0.00 0.00 175.26 176.32 3dh3 s VAL 200 N 0.47 3.38 -0.05 3.70 1.01 -1.26 -1.80 120.40 125.85 3dh3 s VAL 200 Ca -0.10 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3dh3 s VAL 200 Cb -0.14 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3dh3 s VAL 200 CO 0.03 0.31 0.02 0.29 0.00 0.00 0.00 175.10 175.74 3dh3 n LYS 201 N 1.34 3.15 -3.91 2.72 4.76 0.31 -4.89 118.16 121.64 3dh3 n LYS 201 Ca -0.00 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 3dh3 n LYS 201 Cb 0.44 -1.12 -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 -2.12 0.48 -0.27 1.97 2.20 -1.02 -4.96 119.74 116.03 3dh3 s LYS 202 Ca -0.03 -0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3dh3 s LYS 202 Cb 0.01 0.19 0.15 0.00 -1.51 0.00 0.00 37.83 36.68 3dh3 s LYS 202 CO 0.20 -0.11 0.42 -1.17 -0.36 0.00 0.00 175.35 174.33 3dh3 s LEU 203 N -1.62 -0.81 -0.10 5.43 2.96 -1.26 -0.89 118.68 122.39 3dh3 s LEU 203 Ca -0.12 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3dh3 s LEU 203 Cb -0.06 1.26 0.02 0.00 0.50 0.00 0.00 46.19 47.90 3dh3 s LEU 203 CO -0.01 -0.32 -0.12 -0.70 -1.32 0.00 0.00 176.35 173.89 3dh3 s GLU 204 N 2.59 1.83 -0.24 1.98 2.12 -0.33 -1.39 118.70 125.27 3dh3 s GLU 204 Ca 0.12 -0.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.87 3dh3 s GLU 204 Cb -0.14 -1.65 -0.03 0.00 0.26 0.00 0.00 34.13 32.57 3dh3 s GLU 204 CO -0.23 -0.11 0.47 0.50 -0.54 0.00 0.00 175.26 175.35 3dh3 s ARG 205 N 1.15 4.11 -0.00 4.30 3.52 -0.19 0.78 118.95 132.62 3dh3 s ARG 205 Ca -0.05 0.27 0.15 0.00 -0.13 0.00 0.00 55.73 55.97 3dh3 s ARG 205 Cb -0.14 -3.61 -0.17 0.00 -1.56 0.00 0.00 34.95 29.47 3dh3 s ARG 205 CO -0.03 -0.22 0.60 0.25 -0.81 0.00 0.00 175.30 175.09 3dh3 n THR 206 N 4.83 0.00 -3.64 4.11 -2.24 -0.11 -0.56 114.28 116.68 3dh3 n THR 206 Ca -0.06 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 3dh3 n THR 206 Cb 0.50 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.48 0.55 -0.19 -0.78 3.52 -1.19 -1.38 118.95 117.00 3dh3 s ARG 207 Ca 0.04 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 3dh3 s ARG 207 Cb 0.11 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3dh3 s ARG 207 CO 0.62 -0.08 -0.19 0.42 -0.81 0.00 0.00 175.30 175.26 3dh3 s ILE 208 N 0.73 2.03 0.00 4.11 1.01 0.44 -0.26 121.20 129.27 3dh3 s ILE 208 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3dh3 s ILE 208 Cb -0.05 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3dh3 s ILE 208 CO -0.09 0.47 0.00 0.23 0.00 0.00 0.00 174.94 175.55 3dh3 n MET 209 N 4.61 0.00 0.07 2.79 2.81 0.63 0.20 117.12 128.23 3dh3 n MET 209 Ca -0.20 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3dh3 n MET 209 Cb 0.49 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 33.45 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 4.09 0.55 -4.82 7.83 6.94 -1.26 -4.85 115.26 123.74 3dh3 n ASN 210 Ca 0.00 0.50 -0.32 0.00 -0.02 0.00 0.00 54.58 54.74 3dh3 n ASN 210 Cb 0.00 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 36.75 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 -3.07 4.87 0.05 3.53 1.01 0.13 -5.04 120.40 121.88 3dh3 s VAL 211 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 3dh3 s VAL 211 Cb 0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3dh3 s VAL 211 CO 0.59 0.22 -0.04 -0.94 0.00 0.00 0.00 175.10 174.93 3dh3 s SER 212 N -2.16 0.60 0.51 3.32 1.04 -1.26 -0.42 113.70 115.33 3dh3 s SER 212 Ca 0.28 -0.90 0.21 0.00 0.48 0.00 0.00 55.95 56.02 3dh3 s SER 212 Cb -0.12 0.16 1.30 0.00 0.10 0.00 0.00 66.02 67.45 3dh3 s SER 212 CO 0.20 -0.51 2.01 -0.07 0.98 0.00 0.00 173.24 175.86 3dh3 h LEU 213 N 3.41 0.08 -9.01 2.42 3.38 -1.53 -3.45 115.31 110.61 3dh3 h LEU 213 Ca -0.34 0.00 -0.83 0.00 0.09 0.00 0.00 57.88 56.81 3dh3 h LEU 213 Cb 1.16 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.93 3dh3 h LEU 213 CO 0.61 0.05 0.38 -0.24 0.09 0.00 0.00 178.44 179.32 3dh3 n SER 214 N -4.42 0.65 0.00 -0.43 2.88 -1.26 -0.49 113.62 110.55 3dh3 n SER 214 Ca 0.08 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 3dh3 n SER 214 Cb 0.49 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 2.73 0.46 3.21 0.46 0.00 -1.26 -4.98 105.19 105.80 3dh3 n GLY 215 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.94 4.14 0.75 -0.61 1.01 0.36 -5.08 121.20 119.83 3dh3 s ILE 216 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 60.65 58.74 3dh3 s ILE 216 Cb 0.00 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.81 3dh3 s ILE 216 CO 0.00 -0.74 1.21 -2.16 0.00 0.00 0.00 174.94 173.25 3dh3 s PRO 217 N 1.35 1.99 0.22 2.79 0.04 -1.26 -4.78 135.00 135.35 3dh3 s PRO 217 Ca 0.06 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 3dh3 s PRO 217 Cb -0.26 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 3dh3 s PRO 217 CO -0.01 -1.95 1.27 -0.11 0.04 0.00 0.00 177.00 176.24 3dh3 n LEU 218 N -2.89 2.35 -0.21 -3.56 7.94 -1.26 -2.02 117.00 117.35 3dh3 n LEU 218 Ca 0.13 1.15 -0.03 0.00 -1.11 0.00 0.00 56.01 56.15 3dh3 n LEU 218 Cb 0.50 -1.33 -0.01 0.00 0.53 0.00 0.00 43.42 43.11 3dh3 n LEU 218 CO 0.48 -0.91 -0.03 0.61 -1.11 0.00 0.00 177.39 176.43 3dh3 n GLY 219 N 1.97 0.60 3.45 -3.96 0.00 0.34 -5.00 105.19 102.59 3dh3 n GLY 219 Ca 0.13 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.76 1.62 0.07 1.61 0.41 -0.85 -4.93 118.70 114.86 3dh3 s GLU 220 Ca 0.00 -1.76 -0.11 0.00 -0.41 0.00 0.00 54.97 52.69 3dh3 s GLU 220 Cb 0.00 -1.59 0.01 0.00 -1.78 0.00 0.00 34.13 30.77 3dh3 s GLU 220 CO 0.00 0.25 0.24 1.67 -0.49 0.00 0.00 175.26 176.93 3dh3 s TRP 221 N -2.65 0.04 0.16 1.61 1.48 -1.26 -1.14 118.94 117.17 3dh3 s TRP 221 Ca 0.29 -0.34 -0.13 0.00 -1.06 0.00 0.00 56.10 54.86 3dh3 s TRP 221 Cb -0.02 0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.31 3dh3 s TRP 221 CO 0.13 -0.52 0.37 -0.98 -4.06 0.00 0.00 176.95 171.89 3dh3 s ARG 222 N -3.23 1.17 0.82 3.25 1.70 -0.82 -4.97 118.95 116.86 3dh3 s ARG 222 Ca -0.00 -0.96 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 3dh3 s ARG 222 Cb 0.02 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.92 3dh3 s ARG 222 CO -0.08 -0.45 1.09 -0.51 -1.08 0.00 0.00 175.30 174.27 3dh3 s ASP 223 N -2.89 4.11 0.04 -2.89 1.01 -1.26 -0.44 116.67 114.36 3dh3 s ASP 223 Ca 0.10 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.69 3dh3 s ASP 223 Cb 0.02 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3dh3 s ASP 223 CO -0.05 -2.25 0.96 -0.76 0.21 0.00 0.00 175.17 173.28 3dh3 s LEU 224 N -6.02 4.42 0.44 1.23 1.43 -1.02 -4.76 118.68 114.41 3dh3 s LEU 224 Ca 0.62 1.70 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 3dh3 s LEU 224 Cb -0.17 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 3dh3 s LEU 224 CO 0.56 -0.18 1.43 0.35 0.23 0.00 0.00 176.35 178.74 3dh3 n THR 225 N 3.43 2.71 -0.41 5.49 -2.24 -1.26 -4.60 114.28 117.40 3dh3 n THR 225 Ca 0.04 -0.50 0.34 0.00 -2.27 0.00 0.00 64.05 61.66 3dh3 n THR 225 Cb 0.50 -1.83 0.62 0.00 -2.10 0.00 0.00 70.33 67.52 3dh3 n THR 225 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dh3 h ASP 226 N 2.33 0.29 0.16 3.42 5.19 -1.97 0.19 116.42 126.02 3dh3 h ASP 226 Ca -0.51 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 3dh3 h ASP 226 Cb 1.27 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3dh3 h ASP 226 CO 0.61 -0.19 -0.09 0.44 -3.12 0.00 0.00 179.24 176.89 3dh3 h ASP 227 N 0.12 -0.21 -0.94 6.45 3.32 -1.99 0.22 116.42 123.39 3dh3 h ASP 227 Ca 0.80 0.01 0.29 0.00 0.02 0.00 0.00 57.03 58.15 3dh3 h ASP 227 Cb 2.39 0.06 -0.16 0.00 0.22 0.00 0.00 39.33 41.84 3dh3 h ASP 227 CO -0.47 -0.14 0.30 -0.33 -1.72 0.00 0.00 179.24 176.88 3dh3 h GLU 228 N -0.22 0.15 0.10 3.56 5.08 -1.37 0.63 114.58 122.52 3dh3 h GLU 228 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3dh3 h GLU 228 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dh3 h GLU 228 CO 0.03 0.10 -0.05 1.25 -1.00 0.00 0.00 179.01 179.34 3dh3 h LEU 229 N 0.16 -0.12 0.66 1.33 5.85 -0.59 0.73 115.31 123.34 3dh3 h LEU 229 Ca 0.64 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.25 3dh3 h LEU 229 Cb 1.42 0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.49 3dh3 h LEU 229 CO -0.72 0.01 -0.32 0.40 -0.34 0.00 0.00 178.44 177.47 3dh3 h ILE 230 N -0.24 0.00 -0.70 4.05 2.04 0.18 -1.93 117.51 120.91 3dh3 h ILE 230 Ca -0.01 -0.04 0.19 0.00 1.00 0.00 0.00 64.86 65.99 3dh3 h ILE 230 Cb 0.20 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.15 3dh3 h ILE 230 CO 0.02 0.00 -0.00 0.47 0.00 0.00 0.00 178.15 178.64 3dh3 n ASP 231 N -4.51 -0.10 0.00 1.72 10.43 0.20 -0.60 116.55 123.69 3dh3 n ASP 231 Ca -0.11 1.19 -0.13 0.00 2.57 0.00 0.00 54.79 58.31 3dh3 n ASP 231 Cb 0.35 -0.43 -0.10 0.00 1.84 0.00 0.00 41.12 42.79 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 -0.04 -1.40 0.64 6.46 -0.63 -1.97 115.31 118.36 3dh3 h LEU 232 Ca 0.42 -0.48 0.08 0.00 -0.12 0.00 0.00 57.88 57.77 3dh3 h LEU 232 Cb 0.84 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.74 3dh3 h LEU 232 CO -0.66 0.48 0.48 -0.26 -0.62 0.00 0.00 178.44 177.85 3dh3 h PHE 233 N -0.58 0.73 -0.51 1.25 0.04 -0.05 -0.18 116.94 117.64 3dh3 h PHE 233 Ca -0.01 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 3dh3 h PHE 233 Cb 0.53 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3dh3 h PHE 233 CO 0.10 0.37 -0.09 0.87 -0.60 0.00 0.00 178.31 178.96 3dh3 h LYS 234 N 0.70 0.94 0.00 1.51 1.79 -0.94 -1.33 116.57 119.24 3dh3 h LYS 234 Ca 0.32 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dh3 h LYS 234 Cb 0.35 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3dh3 h LYS 234 CO -0.11 0.98 0.00 1.28 -1.08 0.00 0.00 179.45 180.52 3dh3 n LEU 235 N -4.16 0.00 -4.25 2.94 4.77 -0.08 -4.62 117.00 111.61 3dh3 n LEU 235 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 3dh3 n LEU 235 Cb 0.38 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 3dh3 n LEU 235 CO 0.44 0.00 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.32 3dh3 s ILE 236 N -2.00 1.87 0.00 -0.08 1.01 -0.50 -4.82 121.20 116.67 3dh3 s ILE 236 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3dh3 s ILE 236 Cb 0.00 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3dh3 s ILE 236 CO 0.01 0.53 0.00 -1.84 0.00 0.00 0.00 174.94 173.63 3dh3 n GLU 237 N 2.80 0.00 0.00 2.79 -0.00 -1.26 -5.04 120.64 119.94 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 -3.62 -1.84 3.02 -1.26 -5.16 115.26 106.40 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 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.11 -0.68 0.00 6.41 0.15 -1.26 -5.00 113.70 113.21 3dh3 s SER 239 Ca 0.00 1.26 0.28 0.00 0.70 0.00 0.00 55.95 58.18 3dh3 s SER 239 Cb 0.00 1.26 0.98 0.00 -1.71 0.00 0.00 66.02 66.55 3dh3 s SER 239 CO 0.00 -0.26 1.73 -1.20 1.20 0.00 0.00 173.24 174.71 3dh3 n SER 240 N 2.41 0.34 -3.01 5.45 7.64 -1.26 -4.07 113.62 121.11 3dh3 n SER 240 Ca -0.14 -0.11 -0.15 0.00 1.01 0.00 0.00 58.87 59.48 3dh3 n SER 240 Cb 0.55 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 3dh3 n SER 240 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dh3 n SER 241 N -1.31 1.75 0.00 6.43 7.64 -1.26 -4.88 113.62 121.99 3dh3 n SER 241 Ca 0.09 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.81 3dh3 n SER 241 Cb 0.32 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 3dh3 n SER 241 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3dh3 n GLU 242 N -0.56 0.00 -0.64 1.43 -0.00 -1.26 -5.10 120.64 114.51 3dh3 n GLU 242 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 3dh3 n GLU 242 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.77 3dh3 n GLU 242 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68