#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 0.00 -4.28 1.67 3.41 -1.26 -5.16 113.62 107.99 3dh3 n SER 5 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 3dh3 n SER 5 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.00 2.52 -0.07 4.04 1.04 -1.26 -4.35 113.70 115.62 3dh3 s SER 6 Ca 0.00 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.76 3dh3 s SER 6 Cb 0.00 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3dh3 s SER 6 CO 0.00 0.05 -0.13 -0.69 0.98 0.00 0.00 173.24 173.45 3dh3 s VAL 7 N -1.20 3.15 0.53 5.02 1.01 -1.14 -4.91 120.40 122.87 3dh3 s VAL 7 Ca 0.07 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 3dh3 s VAL 7 Cb -0.10 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3dh3 s VAL 7 CO 0.04 0.58 1.35 -0.60 0.00 0.00 0.00 175.10 176.47 3dh3 s ARG 8 N -0.54 3.21 0.08 2.72 3.52 -1.26 0.39 118.95 127.08 3dh3 s ARG 8 Ca 0.07 2.22 -0.31 0.00 -0.13 0.00 0.00 55.73 57.58 3dh3 s ARG 8 Cb -0.12 -2.29 -0.16 0.00 -1.56 0.00 0.00 34.95 30.82 3dh3 s ARG 8 CO 0.02 -1.13 1.63 1.25 -0.81 0.00 0.00 175.30 176.26 3dh3 h LEU 9 N 1.55 -0.77 -0.39 -0.88 5.85 -1.61 -0.46 115.31 118.60 3dh3 h LEU 9 Ca -0.51 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.34 3dh3 h LEU 9 Cb 1.29 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.47 3dh3 h LEU 9 CO 0.58 -0.48 -0.21 -0.55 -0.34 0.00 0.00 178.44 177.43 3dh3 h ASN 10 N -0.76 -0.72 -0.07 1.25 7.08 -1.90 0.80 115.58 121.26 3dh3 h ASN 10 Ca -0.06 0.16 0.03 0.00 -3.08 0.00 0.00 56.30 53.35 3dh3 h ASN 10 Cb 0.62 0.38 -0.04 0.00 -2.08 0.00 0.00 38.32 37.21 3dh3 h ASN 10 CO 0.06 -0.24 -0.14 0.50 -2.08 0.00 0.00 177.43 175.52 3dh3 h LYS 11 N -0.15 -0.20 -0.30 4.14 3.64 -1.82 0.53 116.57 122.41 3dh3 h LYS 11 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3dh3 h LYS 11 Cb 0.44 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 3dh3 h LYS 11 CO -0.48 -0.13 -0.05 -0.92 -2.27 0.00 0.00 179.45 175.60 3dh3 h TYR 12 N -0.20 -0.11 -0.40 1.91 5.03 0.49 1.01 116.97 124.70 3dh3 h TYR 12 Ca 0.07 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.31 3dh3 h TYR 12 Cb 0.30 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3dh3 h TYR 12 CO -0.23 -0.10 -0.12 0.97 -1.32 0.00 0.00 178.16 177.36 3dh3 h ILE 13 N 0.03 1.28 -0.27 1.81 -0.00 -0.61 -2.53 117.51 117.21 3dh3 h ILE 13 Ca 0.15 -1.22 0.04 0.00 -0.00 0.00 0.00 64.86 63.83 3dh3 h ILE 13 Cb 0.22 1.24 -0.04 0.00 -0.00 0.00 0.00 36.82 38.23 3dh3 h ILE 13 CO -0.29 0.41 0.02 -1.28 -0.00 0.00 0.00 178.15 177.01 3dh3 h SER 14 N 0.60 -0.07 0.11 2.19 0.87 0.12 -0.77 113.55 116.59 3dh3 h SER 14 Ca 0.10 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3dh3 h SER 14 Cb 0.65 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3dh3 h SER 14 CO 0.04 -0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.72 3dh3 n GLU 15 N -5.13 0.06 0.26 2.24 1.02 0.34 -1.21 120.64 118.22 3dh3 n GLU 15 Ca -0.01 0.52 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 3dh3 n GLU 15 Cb 0.14 -1.69 0.61 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.71 -3.41 113.55 115.68 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3dh3 h SER 16 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3dh3 n GLY 17 N 0.12 0.39 0.21 -0.77 0.00 -0.35 -4.96 105.19 99.83 3dh3 n GLY 17 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 1.14 -2.32 -0.61 1.08 -1.72 -3.43 117.51 111.64 3dh3 h ILE 18 Ca 0.00 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 64.30 3dh3 h ILE 18 Cb 0.00 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3dh3 h ILE 18 CO 0.00 0.13 0.35 0.00 -0.69 0.00 0.00 178.15 177.95 3dh3 s SER 20 N -2.59 5.23 0.16 0.00 1.04 -1.26 -4.26 113.70 112.02 3dh3 s SER 20 Ca 0.14 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 3dh3 s SER 20 Cb -0.02 -1.74 0.05 0.00 0.10 0.00 0.00 66.02 64.41 3dh3 s SER 20 CO 0.05 -1.45 1.79 -0.09 0.98 0.00 0.00 173.24 174.51 3dh3 h ARG 21 N -0.70 0.68 0.00 4.02 2.43 -1.91 -1.30 114.38 117.60 3dh3 h ARG 21 Ca -0.45 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.57 3dh3 h ARG 21 Cb 1.27 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3dh3 h ARG 21 CO 0.64 0.51 -0.39 0.00 -1.51 0.00 0.00 179.97 179.22 3dh3 h ARG 22 N 0.66 0.00 -0.17 0.20 3.08 -1.94 -2.36 114.38 113.85 3dh3 h ARG 22 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3dh3 h ARG 22 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3dh3 h ARG 22 CO -0.03 0.39 0.04 0.93 -1.07 0.00 0.00 179.97 180.23 3dh3 h GLU 23 N 0.00 0.28 -0.53 0.04 5.08 -1.85 -2.80 114.58 114.80 3dh3 h GLU 23 Ca -0.00 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3dh3 h GLU 23 Cb 0.90 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 3dh3 h GLU 23 CO 0.05 0.42 -0.51 0.00 -1.00 0.00 0.00 179.01 177.98 3dh3 h ALA 24 N 0.85 -0.57 -0.49 3.43 0.00 -0.73 -0.59 119.26 121.15 3dh3 h ALA 24 Ca 0.05 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3dh3 h ALA 24 Cb 0.27 1.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3dh3 h ALA 24 CO 0.00 -0.95 0.34 -0.44 0.00 0.00 0.00 179.25 178.19 3dh3 h ASP 25 N -0.30 0.18 -0.31 0.00 3.45 -1.40 0.42 116.42 118.47 3dh3 h ASP 25 Ca 0.12 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 3dh3 h ASP 25 Cb 0.57 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3dh3 h ASP 25 CO -0.66 0.11 0.10 -0.09 -1.57 0.00 0.00 179.24 177.13 3dh3 h ARG 26 N 0.20 0.47 0.62 3.56 9.65 -0.86 -1.12 114.38 126.91 3dh3 h ARG 26 Ca 0.23 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3dh3 h ARG 26 Cb 0.64 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3dh3 h ARG 26 CO -0.04 0.51 -0.34 1.88 2.80 0.00 0.00 179.97 184.78 3dh3 h TYR 27 N 0.34 -0.89 -0.79 2.20 0.99 -0.41 -1.67 116.97 116.74 3dh3 h TYR 27 Ca 0.10 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.96 3dh3 h TYR 27 Cb 0.23 0.31 -0.15 0.00 1.00 0.00 0.00 36.73 38.12 3dh3 h TYR 27 CO 0.00 -0.53 -0.26 0.82 -0.00 0.00 0.00 178.16 178.19 3dh3 h ILE 28 N -0.89 0.16 -0.77 -2.88 2.04 -1.19 0.21 117.51 114.18 3dh3 h ILE 28 Ca -0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3dh3 h ILE 28 Cb 0.71 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3dh3 h ILE 28 CO 0.11 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 178.44 3dh3 h GLU 29 N -0.04 0.94 -0.68 2.37 5.08 -0.87 -0.20 114.58 121.18 3dh3 h GLU 29 Ca 0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dh3 h GLU 29 Cb 0.59 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3dh3 h GLU 29 CO -0.82 0.62 0.00 1.04 -1.00 0.00 0.00 179.01 178.85 3dh3 n GLN 30 N -4.45 1.94 -3.78 2.33 6.02 0.68 -4.87 117.38 115.25 3dh3 n GLN 30 Ca 0.10 -0.87 -0.28 0.00 -0.01 0.00 0.00 57.00 55.94 3dh3 n GLN 30 Cb 0.10 -1.56 0.05 0.00 1.02 0.00 0.00 30.24 29.86 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 0.38 -0.52 0.65 1.08 0.00 -0.09 -4.88 105.19 101.81 3dh3 n GLY 31 Ca 0.08 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.92 2.27 -4.40 1.61 3.02 -0.92 -4.97 115.26 108.96 3dh3 n ASN 32 Ca 0.03 -1.64 -0.32 0.00 -0.03 0.00 0.00 54.58 52.62 3dh3 n ASN 32 Cb 0.54 0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.27 2.57 -0.06 2.41 1.01 -1.26 -1.01 120.40 121.78 3dh3 s VAL 33 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3dh3 s VAL 33 Cb 0.19 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3dh3 s VAL 33 CO 0.45 0.59 -0.04 -0.36 0.00 0.00 0.00 175.10 175.74 3dh3 s PHE 34 N -0.67 0.83 -0.42 5.22 0.40 0.47 -0.41 117.98 123.40 3dh3 s PHE 34 Ca 0.11 -0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3dh3 s PHE 34 Cb -0.10 -0.79 0.06 0.00 0.51 0.00 0.00 43.02 42.70 3dh3 s PHE 34 CO -0.00 -0.28 0.29 -1.17 0.70 0.00 0.00 175.22 174.76 3dh3 s LEU 35 N 1.35 5.17 -1.28 -0.37 0.20 0.22 -1.18 118.68 122.78 3dh3 s LEU 35 Ca -0.04 -1.27 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 3dh3 s LEU 35 Cb -0.13 -2.07 -0.00 0.00 -0.43 0.00 0.00 46.19 43.56 3dh3 s LEU 35 CO -0.02 -0.52 0.62 0.59 -0.29 0.00 0.00 176.35 176.72 3dh3 n ASN 36 N 5.04 -2.50 0.00 3.68 3.02 0.69 -0.66 115.26 124.52 3dh3 n ASN 36 Ca -0.11 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3dh3 n ASN 36 Cb 0.44 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 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 -1.80 1.24 3.76 7.41 0.00 -1.26 -4.95 105.19 109.58 3dh3 n GLY 37 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.12 4.45 -0.17 1.61 3.01 0.16 -5.01 119.74 123.67 3dh3 s LYS 38 Ca 0.00 0.98 -0.29 0.00 -1.01 0.00 0.00 55.97 55.65 3dh3 s LYS 38 Cb 0.00 -3.34 -0.05 0.00 -1.01 0.00 0.00 37.83 33.44 3dh3 s LYS 38 CO 0.00 0.36 1.89 0.50 0.51 0.00 0.00 175.35 178.62 3dh3 s ARG 39 N -0.30 3.62 0.89 1.68 3.52 -1.26 0.69 118.95 127.80 3dh3 s ARG 39 Ca 0.36 1.96 -0.11 0.00 -0.13 0.00 0.00 55.73 57.80 3dh3 s ARG 39 Cb -0.20 -4.18 0.13 0.00 -1.56 0.00 0.00 34.95 29.13 3dh3 s ARG 39 CO 0.22 -1.53 1.10 0.00 -0.81 0.00 0.00 175.30 174.28 3dh3 s ALA 40 N 6.16 1.52 -0.01 6.12 0.00 0.46 -4.87 121.76 131.14 3dh3 s ALA 40 Ca 0.85 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.91 3dh3 s ALA 40 Cb -0.31 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3dh3 s ALA 40 CO 0.34 -2.43 0.10 0.95 0.00 0.00 0.00 175.76 174.72 3dh3 s THR 41 N -2.82 0.06 -0.39 0.00 -4.23 -1.26 -4.88 115.64 102.11 3dh3 s THR 41 Ca 0.64 -0.48 -0.36 0.00 -1.18 0.00 0.00 61.69 60.31 3dh3 s THR 41 Cb -0.19 -0.30 -0.16 0.00 1.34 0.00 0.00 72.50 73.19 3dh3 s THR 41 CO 0.58 -0.26 1.33 -0.38 -0.54 0.00 0.00 174.62 175.34 3dh3 n ILE 42 N 2.05 0.00 0.00 2.99 -0.00 -1.26 -2.02 119.36 121.12 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 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.82 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 3.61 2.68 3.72 7.39 0.00 -1.26 -5.08 105.19 116.26 3dh3 n GLY 43 Ca 0.28 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.11 4.35 0.43 1.61 1.47 -0.86 -4.61 116.67 118.94 3dh3 s ASP 44 Ca 0.00 2.56 -0.01 0.00 1.18 0.00 0.00 52.55 56.28 3dh3 s ASP 44 Cb 0.00 -2.61 -0.02 0.00 -0.34 0.00 0.00 42.92 39.95 3dh3 s ASP 44 CO 0.00 -2.17 0.67 -1.10 0.68 0.00 0.00 175.17 173.24 3dh3 s GLN 45 N -3.57 3.27 -0.29 2.11 -1.52 -1.26 -1.81 119.66 116.58 3dh3 s GLN 45 Ca 0.80 -0.30 0.03 0.00 -1.95 0.00 0.00 55.36 53.95 3dh3 s GLN 45 Cb -0.35 -2.54 0.08 0.00 -0.22 0.00 0.00 33.01 29.97 3dh3 s GLN 45 CO 0.42 -0.15 -0.04 0.54 -0.25 0.00 0.00 175.29 175.81 3dh3 s VAL 46 N -2.54 2.16 0.31 1.09 0.11 0.16 -4.80 120.40 116.89 3dh3 s VAL 46 Ca 0.46 -1.88 -0.16 0.00 -2.93 0.00 0.00 61.98 57.47 3dh3 s VAL 46 Cb -0.10 -2.40 -0.09 0.00 -1.53 0.00 0.00 36.38 32.26 3dh3 s VAL 46 CO 0.39 -0.26 0.75 -0.54 -3.33 0.00 0.00 175.10 172.11 3dh3 s LYS 47 N 1.05 4.07 0.45 1.54 1.02 -1.26 -2.87 119.74 123.74 3dh3 s LYS 47 Ca -0.01 0.74 0.24 0.00 0.02 0.00 0.00 55.97 56.95 3dh3 s LYS 47 Cb -0.20 -2.51 1.24 0.00 -0.52 0.00 0.00 37.83 35.85 3dh3 s LYS 47 CO -0.07 0.19 1.81 -1.35 -0.92 0.00 0.00 175.35 175.02 3dh3 h PRO 48 N 2.46 0.26 -0.20 -1.68 0.11 -2.00 0.34 132.00 131.29 3dh3 h PRO 48 Ca -0.48 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3dh3 h PRO 48 Cb 1.18 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3dh3 h PRO 48 CO 0.65 0.17 -0.01 0.78 -0.21 0.00 0.00 178.00 179.38 3dh3 h GLY 49 N 0.26 0.18 -3.04 -0.55 0.00 -1.97 -3.47 103.07 94.48 3dh3 h GLY 49 Ca 0.54 0.03 -0.57 0.00 0.00 0.00 0.00 47.33 47.33 3dh3 h GLY 49 CO -0.17 -0.04 -1.02 1.22 0.00 0.00 0.00 176.54 176.53 3dh3 n ASP 50 N -5.15 -3.26 -4.08 0.19 10.43 0.12 -5.04 116.55 109.75 3dh3 n ASP 50 Ca -0.02 0.48 -0.29 0.00 2.57 0.00 0.00 54.79 57.53 3dh3 n ASP 50 Cb 0.11 -0.99 -0.17 0.00 1.84 0.00 0.00 41.12 41.91 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 -2.00 1.58 -0.13 2.53 0.11 -1.26 -4.96 120.40 116.26 3dh3 s VAL 51 Ca 0.56 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3dh3 s VAL 51 Cb -0.33 -1.42 -0.00 0.00 -1.53 0.00 0.00 36.38 33.09 3dh3 s VAL 51 CO 0.68 0.46 -0.18 -0.69 -3.33 0.00 0.00 175.10 172.03 3dh3 s VAL 52 N 0.85 2.55 -0.08 2.04 1.01 -1.26 -0.23 120.40 125.28 3dh3 s VAL 52 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3dh3 s VAL 52 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3dh3 s VAL 52 CO 0.00 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.97 3dh3 s LYS 53 N 0.53 1.85 -0.17 2.72 1.02 -0.32 -0.94 119.74 124.42 3dh3 s LYS 53 Ca -0.11 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 3dh3 s LYS 53 Cb -0.16 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 3dh3 s LYS 53 CO 0.04 -0.03 -0.06 0.08 -0.92 0.00 0.00 175.35 174.46 3dh3 s VAL 54 N 0.87 3.51 -1.03 3.17 1.01 -0.70 -0.40 120.40 126.84 3dh3 s VAL 54 Ca -0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3dh3 s VAL 54 Cb -0.15 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3dh3 s VAL 54 CO 0.01 0.48 0.58 0.59 0.00 0.00 0.00 175.10 176.76 3dh3 n ASN 55 N 3.95 -3.58 0.00 3.32 5.03 -0.18 -1.63 115.26 122.18 3dh3 n ASN 55 Ca -0.18 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.15 3dh3 n ASN 55 Cb 0.52 -1.37 0.00 0.00 -1.02 0.00 0.00 39.78 37.91 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 -1.93 1.21 3.66 7.41 0.00 -1.26 -4.93 105.19 109.35 3dh3 n GLY 56 Ca -0.11 -0.01 -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 4.20 0.41 1.61 0.74 -0.65 -4.94 119.66 121.04 3dh3 s GLN 57 Ca 0.00 1.95 -0.27 0.00 0.05 0.00 0.00 55.36 57.09 3dh3 s GLN 57 Cb 0.00 -3.89 -0.09 0.00 1.10 0.00 0.00 33.01 30.13 3dh3 s GLN 57 CO 0.00 -0.79 1.40 -1.17 -0.55 0.00 0.00 175.29 174.18 3dh3 s LEU 58 N 3.80 4.23 -0.05 3.68 0.20 -1.26 -1.71 118.68 127.57 3dh3 s LEU 58 Ca 0.65 2.86 0.04 0.00 0.69 0.00 0.00 54.13 58.37 3dh3 s LEU 58 Cb -0.28 -3.82 -0.00 0.00 -0.43 0.00 0.00 46.19 41.65 3dh3 s LEU 58 CO 0.23 -0.94 -0.18 0.27 -0.29 0.00 0.00 176.35 175.44 3dh3 s ILE 59 N -1.19 1.49 0.22 6.68 -4.36 -0.11 -4.91 121.20 119.02 3dh3 s ILE 59 Ca 0.56 -0.74 0.05 0.00 -0.26 0.00 0.00 60.65 60.26 3dh3 s ILE 59 Cb -0.42 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 3dh3 s ILE 59 CO 0.56 0.43 0.26 -1.61 0.24 0.00 0.00 174.94 174.81 3dh3 s GLU 60 N 0.08 3.17 0.69 0.37 2.02 -1.26 -4.50 118.70 119.27 3dh3 s GLU 60 Ca -0.05 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 53.95 3dh3 s GLU 60 Cb -0.12 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.37 3dh3 s GLU 60 CO 0.03 0.44 1.09 -1.25 0.02 0.00 0.00 175.26 175.59 3dh3 s PRO 61 N -3.68 2.71 0.29 0.39 0.04 -1.26 -4.60 135.00 128.89 3dh3 s PRO 61 Ca 0.33 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.38 3dh3 s PRO 61 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3dh3 s PRO 61 CO 0.27 -1.30 0.89 0.50 0.04 0.00 0.00 177.00 177.39 3dh3 s ARG 62 N -4.43 4.54 0.13 4.56 3.52 -1.26 -5.03 118.95 120.99 3dh3 s ARG 62 Ca 0.64 1.24 -0.15 0.00 -0.13 0.00 0.00 55.73 57.33 3dh3 s ARG 62 Cb -0.18 -2.88 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 3dh3 s ARG 62 CO 0.47 0.34 0.54 -1.21 -0.81 0.00 0.00 175.30 174.63 3dh3 s GLU 63 N -1.91 4.00 0.40 5.12 0.41 -1.26 -4.96 118.70 120.50 3dh3 s GLU 63 Ca 0.47 0.52 0.19 0.00 -0.41 0.00 0.00 54.97 55.73 3dh3 s GLU 63 Cb -0.19 -2.98 1.11 0.00 -1.78 0.00 0.00 34.13 30.29 3dh3 s GLU 63 CO 0.24 0.51 1.77 0.00 -0.49 0.00 0.00 175.26 177.29 3dh3 h ALA 64 N 3.73 2.24 -0.00 5.21 0.00 -2.02 0.32 119.26 128.74 3dh3 h ALA 64 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dh3 h ALA 64 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dh3 h ALA 64 CO 0.65 -0.65 -0.06 0.39 0.00 0.00 0.00 179.25 179.58 3dh3 n GLU 65 N -4.63 0.63 0.01 0.00 4.71 -1.26 -3.01 120.64 117.09 3dh3 n GLU 65 Ca 0.26 -0.14 0.14 0.00 -0.01 0.00 0.00 57.16 57.40 3dh3 n GLU 65 Cb 0.89 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 30.42 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 -1.06 0.10 -4.58 1.62 10.43 0.11 -4.89 116.55 118.28 3dh3 n ASP 66 Ca 0.15 0.51 -0.46 0.00 2.57 0.00 0.00 54.79 57.55 3dh3 n ASP 66 Cb 0.25 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.65 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 -1.59 1.58 -4.08 0.64 7.94 -1.16 -4.99 117.00 115.33 3dh3 n LEU 67 Ca 0.07 1.16 -0.28 0.00 -1.11 0.00 0.00 56.01 55.85 3dh3 n LEU 67 Cb 0.35 -1.25 -0.17 0.00 0.53 0.00 0.00 43.42 42.89 3dh3 n LEU 67 CO 0.27 -1.42 -0.50 -0.69 -1.11 0.00 0.00 177.39 173.95 3dh3 s VAL 68 N -0.70 1.47 -0.32 1.96 1.01 -1.26 -5.04 120.40 117.52 3dh3 s VAL 68 Ca 0.65 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3dh3 s VAL 68 Cb -0.77 -1.31 0.16 0.00 0.00 0.00 0.00 36.38 34.46 3dh3 s VAL 68 CO 0.56 0.43 0.40 -0.22 0.00 0.00 0.00 175.10 176.28 3dh3 s LEU 69 N 0.67 -0.56 0.17 3.92 2.96 -1.26 -2.82 118.68 121.75 3dh3 s LEU 69 Ca -0.14 -0.82 0.10 0.00 -0.22 0.00 0.00 54.13 53.05 3dh3 s LEU 69 Cb -0.16 0.94 -0.04 0.00 0.50 0.00 0.00 46.19 47.42 3dh3 s LEU 69 CO 0.04 -0.32 -0.17 0.27 -1.32 0.00 0.00 176.35 174.85 3dh3 s ILE 70 N 2.13 2.80 -0.15 6.68 -4.36 -0.65 -2.43 121.20 125.23 3dh3 s ILE 70 Ca 0.12 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 58.75 3dh3 s ILE 70 Cb -0.13 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 3dh3 s ILE 70 CO -0.21 -0.06 -0.12 0.00 0.24 0.00 0.00 174.94 174.80 3dh3 s ALA 71 N -1.55 2.65 -0.07 2.27 0.00 0.65 -1.10 121.76 124.61 3dh3 s ALA 71 Ca 0.22 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3dh3 s ALA 71 Cb -0.09 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3dh3 s ALA 71 CO 0.12 0.10 -0.20 -1.17 0.00 0.00 0.00 175.76 174.61 3dh3 s LEU 72 N 0.59 2.33 -0.87 0.00 2.96 0.44 -1.81 118.68 122.32 3dh3 s LEU 72 Ca -0.07 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.21 3dh3 s LEU 72 Cb -0.15 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.17 3dh3 s LEU 72 CO 0.03 0.24 1.15 0.21 -1.32 0.00 0.00 176.35 176.67 3dh3 s ASN 73 N -0.12 6.47 -0.13 3.68 3.84 -0.27 -1.13 114.94 127.28 3dh3 s ASN 73 Ca -0.04 -1.60 -0.29 0.00 0.21 0.00 0.00 52.86 51.14 3dh3 s ASN 73 Cb -0.14 -2.44 -0.01 0.00 -0.55 0.00 0.00 41.25 38.10 3dh3 s ASN 73 CO 0.04 -1.28 1.15 -0.75 -2.79 0.00 0.00 177.10 173.47 3dh3 s LYS 74 N 3.60 4.31 0.61 0.43 2.20 0.55 -0.25 119.74 131.19 3dh3 s LYS 74 Ca 0.33 1.56 -0.10 0.00 -0.36 0.00 0.00 55.97 57.39 3dh3 s LYS 74 Cb -0.07 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 3dh3 s LYS 74 CO -0.04 -0.53 1.00 -1.25 -0.36 0.00 0.00 175.35 174.17 3dh3 s PRO 75 N 2.74 3.46 0.48 4.03 0.04 -1.26 -0.82 135.00 143.67 3dh3 s PRO 75 Ca 0.52 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 3dh3 s PRO 75 Cb -0.21 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3dh3 s PRO 75 CO 0.16 -0.59 1.22 0.28 0.04 0.00 0.00 177.00 178.11 3dh3 n VAL 76 N -2.71 3.00 0.00 -0.36 0.31 -1.26 -3.14 118.33 114.17 3dh3 n VAL 76 Ca 0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3dh3 n VAL 76 Cb 0.55 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.91 2.53 3.74 2.92 0.00 0.80 -5.01 105.19 111.08 3dh3 n GLY 77 Ca 0.09 0.00 -0.40 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 -2.48 4.73 -0.12 -0.61 1.09 -1.19 -4.90 121.20 117.72 3dh3 s ILE 78 Ca 0.00 1.69 -0.09 0.00 -1.10 0.00 0.00 60.65 61.15 3dh3 s ILE 78 Cb 0.00 -4.15 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 3dh3 s ILE 78 CO 0.00 0.34 0.19 -0.69 -0.10 0.00 0.00 174.94 174.68 3dh3 s VAL 79 N 0.06 5.41 -1.48 2.92 1.01 -0.06 -4.18 120.40 124.07 3dh3 s VAL 79 Ca 0.40 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 3dh3 s VAL 79 Cb -0.21 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3dh3 s VAL 79 CO 0.24 0.57 2.67 -1.20 0.00 0.00 0.00 175.10 177.38 3dh3 n SER 80 N 2.31 8.30 -4.24 3.32 7.64 -1.26 -0.64 113.62 129.06 3dh3 n SER 80 Ca -0.18 -2.85 -0.17 0.00 1.01 0.00 0.00 58.87 56.68 3dh3 n SER 80 Cb 0.54 -1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 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 0.64 1.28 -1.40 0.44 -1.32 -1.26 -4.83 115.64 109.18 3dh3 s THR 81 Ca 0.62 -1.76 0.23 0.00 -1.21 0.00 0.00 61.69 59.57 3dh3 s THR 81 Cb 0.18 -1.56 -0.06 0.00 -1.51 0.00 0.00 72.50 69.55 3dh3 s THR 81 CO -0.08 -0.48 1.13 0.35 -2.21 0.00 0.00 174.62 173.34 3dh3 n THR 82 N 0.42 0.00 -2.66 5.08 -2.24 -1.26 -3.45 114.28 110.17 3dh3 n THR 82 Ca -0.15 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3dh3 n THR 82 Cb 0.58 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.78 4.10 0.07 -0.78 -1.05 -1.26 -4.95 118.70 112.04 3dh3 s GLU 83 Ca 0.14 1.31 -0.17 0.00 -0.15 0.00 0.00 54.97 56.10 3dh3 s GLU 83 Cb 0.17 -2.29 -0.13 0.00 -0.44 0.00 0.00 34.13 31.44 3dh3 s GLU 83 CO 0.71 -0.16 1.35 -0.44 0.95 0.00 0.00 175.26 177.66 3dh3 h ASP 84 N 2.05 0.60 -0.77 0.83 3.45 -2.03 -3.28 116.42 117.27 3dh3 h ASP 84 Ca -0.49 -0.52 0.12 0.00 0.43 0.00 0.00 57.03 56.58 3dh3 h ASP 84 Cb 1.20 -0.17 -0.13 0.00 -0.56 0.00 0.00 39.33 39.67 3dh3 h ASP 84 CO 0.61 1.00 -0.29 0.61 -1.57 0.00 0.00 179.24 179.61 3dh3 n GLY 85 N 0.31 -1.55 3.63 2.75 0.00 -1.26 -4.15 105.19 104.93 3dh3 n GLY 85 Ca -0.06 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.40 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 -5.77 3.86 0.41 1.61 2.56 -1.24 -4.88 118.70 115.26 3dh3 s GLU 86 Ca -0.11 1.45 0.10 0.00 0.00 0.00 0.00 54.97 56.42 3dh3 s GLU 86 Cb 0.17 -3.95 0.85 0.00 2.00 0.00 0.00 34.13 33.20 3dh3 s GLU 86 CO 0.56 -1.20 1.95 0.07 -0.56 0.00 0.00 175.26 176.09 3dh3 h ARG 87 N 9.96 0.22 -0.95 4.30 0.11 -1.90 -2.63 114.38 123.49 3dh3 h ARG 87 Ca -0.30 -0.04 -0.60 0.00 0.10 0.00 0.00 59.98 59.14 3dh3 h ARG 87 Cb 1.12 -0.03 -0.30 0.00 1.11 0.00 0.00 29.97 31.88 3dh3 h ARG 87 CO 1.02 0.32 0.65 -0.25 0.10 0.00 0.00 179.97 181.81 3dh3 n ASP 88 N -4.32 6.14 -4.77 0.08 8.00 -1.26 -4.95 116.55 115.47 3dh3 n ASP 88 Ca -0.01 -3.74 -0.37 0.00 0.71 0.00 0.00 54.79 51.38 3dh3 n ASP 88 Cb 0.23 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.43 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 -1.85 6.51 0.46 -2.24 2.20 -0.99 -0.89 114.94 118.14 3dh3 s ASN 89 Ca 0.61 2.25 0.14 0.00 -0.94 0.00 0.00 52.86 54.92 3dh3 s ASN 89 Cb 0.49 -2.60 1.03 0.00 -2.00 0.00 0.00 41.25 38.17 3dh3 s ASN 89 CO 0.03 -0.68 2.02 -0.29 -2.94 0.00 0.00 177.10 175.24 3dh3 h ILE 90 N 2.19 1.10 -0.02 0.54 2.10 -0.91 -2.72 117.51 119.80 3dh3 h ILE 90 Ca -0.49 -0.47 -0.00 0.00 1.08 0.00 0.00 64.86 64.98 3dh3 h ILE 90 Cb 1.23 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 3dh3 h ILE 90 CO 0.62 0.14 -0.00 0.58 -1.08 0.00 0.00 178.15 178.41 3dh3 h VAL 91 N 0.05 1.28 -0.02 2.19 2.07 -1.85 -2.05 116.25 117.93 3dh3 h VAL 91 Ca 0.01 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3dh3 h VAL 91 Cb 0.23 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3dh3 h VAL 91 CO 0.01 0.22 -0.29 0.44 0.02 0.00 0.00 177.57 177.98 3dh3 h ASP 92 N -0.32 0.04 -0.10 0.57 3.32 -1.88 -0.13 116.42 117.92 3dh3 h ASP 92 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dh3 h ASP 92 Cb 0.36 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dh3 h ASP 92 CO 0.00 0.33 0.03 0.15 -1.72 0.00 0.00 179.24 178.03 3dh3 h PHE 93 N 0.04 0.16 0.00 4.55 3.04 -1.16 -2.36 116.94 121.21 3dh3 h PHE 93 Ca 0.00 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 3dh3 h PHE 93 Cb 0.53 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 3dh3 h PHE 93 CO 0.00 0.30 -0.48 -0.39 -2.02 0.00 0.00 178.31 175.72 3dh3 h VAL 94 N -0.03 1.22 -6.55 1.41 -1.51 -1.13 -3.47 116.25 106.19 3dh3 h VAL 94 Ca 0.03 -1.71 -0.51 0.00 -1.23 0.00 0.00 66.70 63.29 3dh3 h VAL 94 Cb 0.21 1.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.30 3dh3 h VAL 94 CO -0.00 0.47 -0.93 -3.20 -1.23 0.00 0.00 177.57 172.68 3dh3 n ASN 95 N -3.79 -2.03 -4.82 4.19 4.05 -0.08 -4.93 115.26 107.85 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 0.53 -2.79 0.02 0.00 1.23 0.00 0.00 39.78 38.76 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 3.16 0.22 1.20 2.46 -1.26 -4.96 115.29 112.30 3dh3 s HIS 96 Ca 0.20 1.45 0.05 0.00 0.47 0.00 0.00 55.06 57.22 3dh3 s HIS 96 Cb -0.08 -2.90 0.20 0.00 -0.13 0.00 0.00 32.58 29.67 3dh3 s HIS 96 CO 0.90 -1.03 1.52 0.66 -2.47 0.00 0.00 174.74 174.33 3dh3 h SER 97 N -0.03 0.22 -2.27 9.88 4.64 -1.99 -3.45 113.55 120.56 3dh3 h SER 97 Ca -0.45 -0.14 -0.46 0.00 -0.47 0.00 0.00 61.79 60.27 3dh3 h SER 97 Cb 1.21 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3dh3 h SER 97 CO 0.58 0.83 -0.35 -0.54 -0.87 0.00 0.00 176.83 176.48 3dh3 s LYS 98 N -3.60 3.37 -0.02 4.77 1.02 -1.26 -5.06 119.74 118.96 3dh3 s LYS 98 Ca -0.03 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 3dh3 s LYS 98 Cb 0.12 -2.82 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 3dh3 s LYS 98 CO 0.80 0.28 1.53 0.50 -0.92 0.00 0.00 175.35 177.54 3dh3 s ARG 99 N -4.11 4.22 0.03 1.68 3.52 -1.26 -5.00 118.95 118.03 3dh3 s ARG 99 Ca 0.38 2.10 -0.02 0.00 -0.13 0.00 0.00 55.73 58.06 3dh3 s ARG 99 Cb -0.09 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 3dh3 s ARG 99 CO 0.31 -0.71 0.01 0.14 -0.81 0.00 0.00 175.30 174.24 3dh3 s VAL 100 N 3.10 0.14 0.08 7.11 -7.23 -1.26 -4.45 120.40 117.89 3dh3 s VAL 100 Ca 0.69 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 3dh3 s VAL 100 Cb -0.33 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 3dh3 s VAL 100 CO 0.28 -0.64 -0.11 0.72 -0.31 0.00 0.00 175.10 175.04 3dh3 s PHE 101 N -2.31 1.08 0.19 2.82 -0.12 0.13 -4.88 117.98 114.88 3dh3 s PHE 101 Ca -0.08 -0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 55.94 3dh3 s PHE 101 Cb -0.04 -0.60 -0.08 0.00 -0.63 0.00 0.00 43.02 41.68 3dh3 s PHE 101 CO -0.04 0.02 0.93 -1.25 -0.05 0.00 0.00 175.22 174.83 3dh3 s PRO 102 N -2.26 4.78 -0.41 1.99 0.04 -1.26 -0.13 135.00 137.76 3dh3 s PRO 102 Ca 0.01 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 3dh3 s PRO 102 Cb -0.06 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3dh3 s PRO 102 CO 0.01 0.42 1.06 0.42 0.04 0.00 0.00 177.00 178.95 3dh3 s ILE 103 N -0.77 4.38 0.04 0.56 1.01 -0.58 -4.83 121.20 121.02 3dh3 s ILE 103 Ca 0.43 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.39 3dh3 s ILE 103 Cb -0.25 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3dh3 s ILE 103 CO 0.31 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 175.10 3dh3 n GLY 104 N 4.50 -2.04 2.93 6.18 0.00 -1.26 -4.50 105.19 111.01 3dh3 n GLY 104 Ca 0.11 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.71 0.10 0.23 1.61 0.52 -1.26 -5.01 118.95 114.43 3dh3 s ARG 105 Ca 0.00 0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 55.65 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 -0.25 0.60 -0.51 0.02 0.00 0.00 175.30 175.16 3dh3 s LEU 106 N 1.92 4.20 0.65 2.53 1.43 -1.26 -5.05 118.68 123.11 3dh3 s LEU 106 Ca -0.02 1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 3dh3 s LEU 106 Cb -0.12 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.44 3dh3 s LEU 106 CO -0.07 -0.05 1.25 -1.81 0.23 0.00 0.00 176.35 175.91 3dh3 s ASP 107 N -2.13 4.64 0.19 2.29 1.01 -1.26 -4.18 116.67 117.22 3dh3 s ASP 107 Ca 0.46 2.51 -0.13 0.00 0.71 0.00 0.00 52.55 56.10 3dh3 s ASP 107 Cb -0.12 -2.61 0.20 0.00 1.01 0.00 0.00 42.92 41.40 3dh3 s ASP 107 CO 0.20 -1.98 1.72 0.50 0.21 0.00 0.00 175.17 175.82 3dh3 h LYS 108 N 0.43 0.23 -0.00 8.23 3.64 -1.95 -0.44 116.57 126.71 3dh3 h LYS 108 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3dh3 h LYS 108 Cb 1.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3dh3 h LYS 108 CO 0.53 0.15 -0.03 -0.40 -2.27 0.00 0.00 179.45 177.42 3dh3 n ASP 109 N -5.11 0.08 -4.89 4.20 3.85 -1.26 -0.14 116.55 113.27 3dh3 n ASP 109 Ca 0.06 -0.00 -0.22 0.00 -0.71 0.00 0.00 54.79 53.91 3dh3 n ASP 109 Cb 0.25 -0.30 0.06 0.00 -1.35 0.00 0.00 41.12 39.77 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 -2.71 4.99 0.17 -1.12 0.01 -0.18 -4.69 113.70 110.17 3dh3 s SER 110 Ca 0.23 -0.14 -0.23 0.00 1.31 0.00 0.00 55.95 57.12 3dh3 s SER 110 Cb 0.20 -0.58 0.06 0.00 0.21 0.00 0.00 66.02 65.91 3dh3 s SER 110 CO 0.49 -1.37 0.65 0.00 0.41 0.00 0.00 173.24 173.42 3dh3 s GLN 111 N -4.88 1.35 0.00 12.44 -2.07 -0.57 -4.01 119.66 121.92 3dh3 s GLN 111 Ca 0.60 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.58 3dh3 s GLN 111 Cb -0.09 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3dh3 s GLN 111 CO 0.40 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 3dh3 n GLY 112 N -0.39 0.54 3.75 2.60 0.00 0.00 -1.39 105.19 110.30 3dh3 n GLY 112 Ca -0.14 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 4.45 -0.22 0.99 2.96 -0.36 -0.33 118.68 126.17 3dh3 s LEU 113 Ca 0.00 2.38 -0.19 0.00 -0.22 0.00 0.00 54.13 56.10 3dh3 s LEU 113 Cb 0.00 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 43.13 3dh3 s LEU 113 CO 0.00 -0.42 0.58 -0.51 -1.32 0.00 0.00 176.35 174.68 3dh3 s ILE 114 N -0.38 -0.00 0.25 6.68 2.07 -0.28 -4.83 121.20 124.70 3dh3 s ILE 114 Ca 0.52 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.66 3dh3 s ILE 114 Cb -0.35 -0.82 -0.08 0.00 0.13 0.00 0.00 42.46 41.35 3dh3 s ILE 114 CO 0.41 0.00 0.59 -0.36 -1.91 0.00 0.00 174.94 173.67 3dh3 s PHE 115 N 0.52 3.42 0.07 3.50 2.99 -1.26 -0.42 117.98 126.80 3dh3 s PHE 115 Ca -0.02 0.96 0.06 0.00 0.00 0.00 0.00 56.93 57.94 3dh3 s PHE 115 Cb -0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 43.02 40.62 3dh3 s PHE 115 CO -0.02 0.24 -0.18 -0.51 -0.00 0.00 0.00 175.22 174.75 3dh3 s LEU 116 N -2.82 2.24 0.18 -0.37 1.02 -0.26 -1.53 118.68 117.15 3dh3 s LEU 116 Ca 0.48 -0.59 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 3dh3 s LEU 116 Cb -0.11 -0.74 0.01 0.00 0.02 0.00 0.00 46.19 45.37 3dh3 s LEU 116 CO 0.20 0.03 0.41 0.28 0.02 0.00 0.00 176.35 177.30 3dh3 s THR 117 N -1.06 0.04 -0.79 5.49 -1.32 0.82 -1.64 115.64 117.19 3dh3 s THR 117 Ca 0.03 -1.06 0.07 0.00 -1.21 0.00 0.00 61.69 59.52 3dh3 s THR 117 Cb -0.09 -1.70 0.11 0.00 -1.51 0.00 0.00 72.50 69.31 3dh3 s THR 117 CO 0.03 -0.20 0.89 -0.46 -2.21 0.00 0.00 174.62 172.66 3dh3 n ASN 118 N -0.28 1.97 -4.18 8.08 6.94 -1.13 0.17 115.26 126.83 3dh3 n ASN 118 Ca -0.09 -1.56 -0.40 0.00 -0.02 0.00 0.00 54.58 52.51 3dh3 n ASN 118 Cb 0.63 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.91 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 -0.75 3.50 -2.00 -2.53 2.46 -1.26 -4.93 115.29 109.78 3dh3 s HIS 119 Ca 0.11 -2.24 0.15 0.00 0.47 0.00 0.00 55.06 53.54 3dh3 s HIS 119 Cb 0.07 -3.43 0.90 0.00 -0.13 0.00 0.00 32.58 29.98 3dh3 s HIS 119 CO 0.09 -0.94 1.31 0.41 -2.47 0.00 0.00 174.74 173.15 3dh3 n GLY 120 N 4.19 -0.49 0.11 1.59 0.00 -1.26 -2.50 105.19 106.83 3dh3 n GLY 120 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.73 1.61 3.32 -2.02 -3.28 116.42 116.78 3dh3 h ASP 121 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3dh3 h ASP 121 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3dh3 h ASP 121 CO 0.00 0.64 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.48 3dh3 h LEU 122 N 0.00 0.00 0.08 1.55 3.38 -1.94 -3.35 115.31 115.04 3dh3 h LEU 122 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dh3 h LEU 122 Cb 1.56 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.26 3dh3 h LEU 122 CO 0.07 0.61 -0.51 0.58 0.09 0.00 0.00 178.44 179.28 3dh3 h VAL 123 N 0.00 0.00 0.00 1.22 2.07 -1.74 -0.76 116.25 117.04 3dh3 h VAL 123 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3dh3 h VAL 123 Cb 1.14 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3dh3 h VAL 123 CO 0.08 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.39 3dh3 h ASN 124 N -0.70 0.00 0.06 0.57 2.35 -1.79 -1.76 115.58 114.32 3dh3 h ASN 124 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3dh3 h ASN 124 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3dh3 h ASN 124 CO -0.29 0.06 -0.65 0.11 -1.65 0.00 0.00 177.43 175.01 3dh3 h LYS 125 N 0.00 0.56 0.08 0.81 1.57 -1.44 -1.81 116.57 116.35 3dh3 h LYS 125 Ca -0.00 -0.41 -0.26 0.00 -1.87 0.00 0.00 60.65 58.12 3dh3 h LYS 125 Cb 0.70 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3dh3 h LYS 125 CO 0.01 1.03 -1.21 0.82 -0.57 0.00 0.00 179.45 179.53 3dh3 h ILE 126 N 0.41 1.52 0.16 1.86 2.04 -1.05 -3.39 117.51 119.05 3dh3 h ILE 126 Ca -0.02 -3.15 -0.33 0.00 1.00 0.00 0.00 64.86 62.37 3dh3 h ILE 126 Cb 1.23 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 3dh3 h ILE 126 CO 0.12 0.90 -1.68 -0.07 0.00 0.00 0.00 178.15 177.43 3dh3 h LEU 127 N 0.05 0.52 -9.70 1.44 4.07 -1.32 -3.43 115.31 106.94 3dh3 h LEU 127 Ca -0.11 -0.91 -0.52 0.00 0.08 0.00 0.00 57.88 56.41 3dh3 h LEU 127 Cb 1.91 -0.17 0.06 0.00 1.08 0.00 0.00 40.66 43.55 3dh3 h LEU 127 CO 0.17 1.75 0.92 -0.13 -1.08 0.00 0.00 178.44 180.07 3dh3 s ARG 128 N -2.54 4.16 0.29 1.13 0.52 -0.68 -4.81 118.95 117.01 3dh3 s ARG 128 Ca -0.18 2.52 0.03 0.00 -0.52 0.00 0.00 55.73 57.57 3dh3 s ARG 128 Cb 0.05 -3.08 0.61 0.00 0.52 0.00 0.00 34.95 33.05 3dh3 s ARG 128 CO 0.82 -0.65 1.81 0.00 0.02 0.00 0.00 175.30 177.30 3dh3 h ALA 129 N 6.01 1.56 -0.96 2.13 0.00 -1.91 -0.50 119.26 125.57 3dh3 h ALA 129 Ca -0.44 0.04 0.26 0.00 0.00 0.00 0.00 54.91 54.77 3dh3 h ALA 129 Cb 1.21 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3dh3 h ALA 129 CO 0.88 0.13 0.67 0.78 0.00 0.00 0.00 179.25 181.71 3dh3 h GLY 130 N 0.91 0.34 0.27 0.00 0.00 -1.89 -0.02 103.07 102.69 3dh3 h GLY 130 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3dh3 h GLY 130 CO -0.31 -0.02 -0.02 0.70 0.00 0.00 0.00 176.54 176.90 3dh3 n ASN 131 N -4.35 0.79 -3.89 0.19 3.02 -0.20 -4.94 115.26 105.88 3dh3 n ASN 131 Ca 0.21 -1.19 -0.38 0.00 -0.03 0.00 0.00 54.58 53.19 3dh3 n ASN 131 Cb 0.95 -0.01 0.02 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 -0.43 -4.27 -4.42 6.41 2.03 -0.02 -4.96 116.55 110.90 3dh3 n ASP 132 Ca 0.20 -1.15 -0.33 0.00 0.52 0.00 0.00 54.79 54.03 3dh3 n ASP 132 Cb 0.25 -2.56 -0.14 0.00 -0.72 0.00 0.00 41.12 37.95 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 -3.56 2.85 0.03 -0.67 3.76 -1.26 -5.08 115.29 111.37 3dh3 s HIS 133 Ca 0.44 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.68 3dh3 s HIS 133 Cb -0.20 -1.84 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 3dh3 s HIS 133 CO 0.92 -0.11 0.51 -1.83 -0.85 0.00 0.00 174.74 173.38 3dh3 s GLU 134 N 0.20 4.12 -0.06 1.40 -1.05 -1.26 -4.27 118.70 117.78 3dh3 s GLU 134 Ca -0.06 0.61 0.03 0.00 -0.15 0.00 0.00 54.97 55.40 3dh3 s GLU 134 Cb -0.15 -3.25 0.01 0.00 -0.44 0.00 0.00 34.13 30.30 3dh3 s GLU 134 CO 0.04 0.62 -0.13 -1.59 0.95 0.00 0.00 175.26 175.15 3dh3 s LYS 135 N -0.95 1.68 -0.10 -4.83 0.00 0.53 -0.30 119.74 115.76 3dh3 s LYS 135 Ca 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 55.97 55.79 3dh3 s LYS 135 Cb -0.18 -1.41 -0.02 0.00 0.00 0.00 0.00 37.83 36.22 3dh3 s LYS 135 CO 0.17 0.08 -0.09 -2.00 0.00 0.00 0.00 175.35 173.51 3dh3 s GLU 136 N 0.48 3.11 0.01 1.78 2.12 0.88 -1.40 118.70 125.68 3dh3 s GLU 136 Ca -0.11 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.65 3dh3 s GLU 136 Cb -0.14 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 3dh3 s GLU 136 CO 0.03 0.42 -0.15 0.71 -0.54 0.00 0.00 175.26 175.73 3dh3 s TYR 137 N -0.17 1.32 -0.25 5.30 1.51 0.32 -0.69 117.35 124.68 3dh3 s TYR 137 Ca 0.01 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3dh3 s TYR 137 Cb -0.13 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 3dh3 s TYR 137 CO 0.03 0.01 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.27 3dh3 s LEU 138 N -0.70 3.28 -0.08 -1.29 2.96 0.13 -0.41 118.68 122.56 3dh3 s LEU 138 Ca 0.04 -0.80 0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3dh3 s LEU 138 Cb -0.07 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3dh3 s LEU 138 CO 0.00 -0.13 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.97 3dh3 s VAL 139 N 1.37 2.05 -0.09 1.68 1.01 0.54 -1.56 120.40 125.40 3dh3 s VAL 139 Ca 0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 3dh3 s VAL 139 Cb -0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3dh3 s VAL 139 CO -0.03 0.56 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 3dh3 s THR 140 N 0.13 3.64 0.34 3.92 2.01 0.16 -1.13 115.64 124.70 3dh3 s THR 140 Ca -0.12 -0.49 0.08 0.00 0.31 0.00 0.00 61.69 61.47 3dh3 s THR 140 Cb -0.16 -2.51 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 3dh3 s THR 140 CO 0.07 0.57 -0.05 0.68 -0.69 0.00 0.00 174.62 175.19 3dh3 s VAL 141 N -0.44 1.96 -0.05 3.82 -7.23 -0.26 0.80 120.40 118.99 3dh3 s VAL 141 Ca 0.06 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 3dh3 s VAL 141 Cb -0.12 -2.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.04 3dh3 s VAL 141 CO 0.02 -0.17 0.66 -2.24 -0.31 0.00 0.00 175.10 173.06 3dh3 h ASP 142 N 2.04 -0.32 -4.48 4.85 2.03 -1.63 -3.46 116.42 115.46 3dh3 h ASP 142 Ca -0.42 -0.12 -0.49 0.00 -0.73 0.00 0.00 57.03 55.27 3dh3 h ASP 142 Cb 1.24 0.08 0.08 0.00 -0.83 0.00 0.00 39.33 39.91 3dh3 h ASP 142 CO 0.72 0.17 0.41 -0.54 -1.03 0.00 0.00 179.24 178.96 3dh3 s LYS 143 N -3.19 2.65 0.30 4.15 1.02 -1.26 -5.05 119.74 118.36 3dh3 s LYS 143 Ca -0.09 0.42 -0.28 0.00 0.02 0.00 0.00 55.97 56.04 3dh3 s LYS 143 Cb 0.01 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.22 3dh3 s LYS 143 CO 0.31 -1.17 0.97 -2.14 -0.92 0.00 0.00 175.35 172.39 3dh3 s PRO 144 N -5.38 4.65 -0.28 -1.68 0.02 -1.26 -4.78 135.00 126.29 3dh3 s PRO 144 Ca 0.59 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 3dh3 s PRO 144 Cb -0.11 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 3dh3 s PRO 144 CO 0.52 0.32 1.34 0.42 -0.33 0.00 0.00 177.00 179.27 3dh3 s ILE 145 N -1.42 4.09 0.61 2.83 1.01 0.24 -5.02 121.20 123.54 3dh3 s ILE 145 Ca 0.47 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 3dh3 s ILE 145 Cb -0.23 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.19 3dh3 s ILE 145 CO 0.29 -0.44 0.87 0.42 0.00 0.00 0.00 174.94 176.08 3dh3 s THR 146 N 4.44 2.50 -0.12 2.92 -4.23 -1.26 -4.99 115.64 114.90 3dh3 s THR 146 Ca 0.58 -0.52 -0.27 0.00 -1.18 0.00 0.00 61.69 60.30 3dh3 s THR 146 Cb -0.18 -2.99 -0.24 0.00 1.34 0.00 0.00 72.50 70.44 3dh3 s THR 146 CO 0.24 0.00 0.81 -0.33 -0.54 0.00 0.00 174.62 174.80 3dh3 h GLU 147 N -0.20 -0.01 -0.19 3.99 5.08 -1.98 -2.26 114.58 119.01 3dh3 h GLU 147 Ca -0.43 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 3dh3 h GLU 147 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 3dh3 h GLU 147 CO 0.55 0.87 -0.05 -1.91 -1.00 0.00 0.00 179.01 177.46 3dh3 n GLU 148 N -4.66 -0.02 0.15 2.33 4.07 -1.26 0.28 120.64 121.53 3dh3 n GLU 148 Ca -0.09 0.30 -0.07 0.00 -0.06 0.00 0.00 57.16 57.24 3dh3 n GLU 148 Cb 0.42 -0.45 -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 -0.40 -0.94 4.31 3.57 -1.94 -2.24 116.94 119.30 3dh3 h PHE 149 Ca 0.09 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.78 3dh3 h PHE 149 Cb 0.14 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 38.90 3dh3 h PHE 149 CO -0.15 -0.25 0.51 0.82 -2.23 0.00 0.00 178.31 177.01 3dh3 h ILE 150 N -0.75 0.61 0.69 1.41 2.04 -0.21 0.13 117.51 121.42 3dh3 h ILE 150 Ca -0.04 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3dh3 h ILE 150 Cb 0.33 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3dh3 h ILE 150 CO 0.07 0.11 -0.33 -0.09 0.00 0.00 0.00 178.15 177.91 3dh3 h ARG 151 N 0.59 -0.89 -0.02 2.37 2.43 -0.27 -1.50 114.38 117.09 3dh3 h ARG 151 Ca 0.57 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.80 3dh3 h ARG 151 Cb 0.97 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3dh3 h ARG 151 CO -0.44 -0.59 0.03 0.78 -1.51 0.00 0.00 179.97 178.23 3dh3 h GLY 152 N -1.11 0.00 0.79 2.80 0.00 -0.73 0.11 103.07 104.94 3dh3 h GLY 152 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 3dh3 h GLY 152 CO 0.16 0.00 -0.75 1.98 0.00 0.00 0.00 176.54 177.93 3dh3 h MET 153 N 0.00 0.39 -0.00 4.80 1.85 -0.77 -3.19 114.93 118.01 3dh3 h MET 153 Ca 0.01 -0.51 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 3dh3 h MET 153 Cb 0.06 0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.26 3dh3 h MET 153 CO -0.00 1.19 0.00 1.03 -0.40 0.00 0.00 176.91 178.73 3dh3 h SER 154 N -0.17 0.00 -0.46 1.39 0.87 0.21 -3.09 113.55 112.30 3dh3 h SER 154 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3dh3 h SER 154 Cb 1.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 3dh3 h SER 154 CO 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.44 3dh3 n ALA 155 N -2.32 3.54 -0.93 6.23 0.00 0.08 -1.63 120.51 125.48 3dh3 n ALA 155 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.92 3dh3 n ALA 155 Cb 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.54 -4.03 3.31 0.00 0.00 -1.17 -4.81 105.19 99.04 3dh3 n GLY 156 Ca 0.22 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.13 1.97 -0.59 1.61 0.11 -1.24 -4.79 120.40 117.34 3dh3 s VAL 157 Ca 0.00 -1.37 -0.24 0.00 -2.93 0.00 0.00 61.98 57.44 3dh3 s VAL 157 Cb 0.00 -1.71 0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3dh3 s VAL 157 CO 0.00 0.27 0.99 -2.16 -3.33 0.00 0.00 175.10 170.87 3dh3 s PRO 158 N -1.33 3.29 0.00 1.54 0.04 -1.26 -0.03 135.00 137.26 3dh3 s PRO 158 Ca 0.10 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.81 3dh3 s PRO 158 Cb -0.10 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.35 3dh3 s PRO 158 CO 0.02 -1.62 0.00 0.44 0.04 0.00 0.00 177.00 175.89 3dh3 n ILE 159 N 6.19 0.00 -2.40 0.56 -5.35 0.12 -4.86 119.36 113.62 3dh3 n ILE 159 Ca 0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 3dh3 n ILE 159 Cb 0.47 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 5.70 -2.19 7.28 4.77 -1.26 -3.96 117.00 127.34 3dh3 n LEU 160 Ca 0.00 -4.17 -0.12 0.00 -0.03 0.00 0.00 56.01 51.68 3dh3 n LEU 160 Cb 0.00 -1.67 -0.02 0.00 -2.33 0.00 0.00 43.42 39.41 3dh3 n LEU 160 CO 0.00 0.66 -0.15 0.61 -1.33 0.00 0.00 177.39 177.18 3dh3 n GLY 161 N 4.49 -0.12 0.47 -0.72 0.00 -1.26 -4.83 105.19 103.21 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 -3.03 0.00 -4.31 2.61 5.66 -1.25 -5.17 114.28 108.78 3dh3 n THR 162 Ca -0.14 -0.14 -0.18 0.00 -3.05 0.00 0.00 64.05 60.54 3dh3 n THR 162 Cb 0.56 0.13 -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 -2.84 0.64 0.38 1.08 -7.23 -1.26 0.12 120.40 111.29 3dh3 s VAL 163 Ca 0.02 -0.36 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 3dh3 s VAL 163 Cb -0.01 -0.54 -0.10 0.00 0.56 0.00 0.00 36.38 36.30 3dh3 s VAL 163 CO 0.02 0.17 1.37 0.42 -0.31 0.00 0.00 175.10 176.76 3dh3 s THR 164 N -0.21 2.43 0.33 5.32 -4.23 0.96 -4.83 115.64 115.41 3dh3 s THR 164 Ca 0.03 0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 3dh3 s THR 164 Cb -0.03 -3.26 -0.12 0.00 1.34 0.00 0.00 72.50 70.43 3dh3 s THR 164 CO -0.00 0.08 1.46 1.17 -0.54 0.00 0.00 174.62 176.80 3dh3 n LYS 165 N 0.40 2.47 -0.81 3.99 4.81 -1.26 -3.72 118.16 124.04 3dh3 n LYS 165 Ca 0.02 0.87 -0.31 0.00 -0.87 0.00 0.00 58.31 58.02 3dh3 n LYS 165 Cb 0.42 -2.57 0.16 0.00 0.02 0.00 0.00 35.03 33.05 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 -1.37 1.10 0.07 1.64 -2.85 -1.26 -4.54 119.74 112.54 3dh3 s LYS 166 Ca 0.59 1.39 -0.26 0.00 -1.00 0.00 0.00 55.97 56.69 3dh3 s LYS 166 Cb -0.53 -1.75 0.09 0.00 -2.06 0.00 0.00 37.83 33.58 3dh3 s LYS 166 CO 0.57 -2.52 1.18 0.00 0.10 0.00 0.00 175.35 174.68 3dh3 s LYS 168 N -2.06 4.39 -0.08 0.00 3.01 -1.23 -4.60 119.74 119.17 3dh3 s LYS 168 Ca 0.27 1.38 -0.01 0.00 -1.01 0.00 0.00 55.97 56.60 3dh3 s LYS 168 Cb -0.02 -3.56 0.03 0.00 -1.01 0.00 0.00 37.83 33.27 3dh3 s LYS 168 CO 0.02 -0.38 -0.02 0.08 0.51 0.00 0.00 175.35 175.55 3dh3 s VAL 169 N 2.27 0.59 -0.05 3.17 1.01 -1.26 -1.44 120.40 124.69 3dh3 s VAL 169 Ca 0.47 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3dh3 s VAL 169 Cb -0.18 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3dh3 s VAL 169 CO 0.15 0.29 -0.12 -0.75 0.00 0.00 0.00 175.10 174.67 3dh3 s LYS 170 N 1.84 1.55 0.57 2.72 2.20 -0.09 -4.95 119.74 123.59 3dh3 s LYS 170 Ca 0.04 -0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.06 3dh3 s LYS 170 Cb -0.12 -1.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 3dh3 s LYS 170 CO -0.06 0.08 1.07 0.21 -0.36 0.00 0.00 175.35 176.29 3dh3 s LYS 171 N 0.48 3.34 0.08 4.03 2.20 -1.26 -0.48 119.74 128.13 3dh3 s LYS 171 Ca -0.11 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 3dh3 s LYS 171 Cb -0.14 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 3dh3 s LYS 171 CO 0.03 -0.81 0.00 0.39 -0.36 0.00 0.00 175.35 174.60 3dh3 n GLU 172 N -1.73 0.00 -4.39 4.03 -0.58 0.18 -4.81 120.64 113.35 3dh3 n GLU 172 Ca 0.10 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.53 3dh3 n GLU 172 Cb 0.52 -0.26 -0.05 0.00 -0.57 0.00 0.00 31.44 31.09 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 4.27 -0.40 0.62 0.00 -0.68 -4.98 121.76 118.58 3dh3 s ALA 173 Ca 0.00 -0.72 0.26 0.00 0.00 0.00 0.00 51.96 51.50 3dh3 s ALA 173 Cb 0.00 -0.30 1.01 0.00 0.00 0.00 0.00 23.12 23.83 3dh3 s ALA 173 CO 0.00 -0.20 1.77 -1.00 0.00 0.00 0.00 175.76 176.33 3dh3 h PRO 174 N 1.09 0.00 -0.00 0.00 0.13 -1.99 -3.19 132.00 128.04 3dh3 h PRO 174 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.67 0.00 -0.12 1.19 -0.23 0.00 0.00 178.00 179.51 3dh3 n PHE 175 N -2.45 0.00 -4.76 1.56 3.01 -1.26 -0.59 117.46 112.96 3dh3 n PHE 175 Ca 0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.22 3dh3 n PHE 175 Cb 0.29 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.00 1.38 0.09 -4.37 1.01 -1.21 -1.10 120.40 115.20 3dh3 s VAL 176 Ca 0.03 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3dh3 s VAL 176 Cb 0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3dh3 s VAL 176 CO 0.13 0.41 -0.16 0.72 0.00 0.00 0.00 175.10 176.20 3dh3 s PHE 177 N 0.50 1.43 -0.14 5.22 -0.12 -0.28 -0.64 117.98 123.93 3dh3 s PHE 177 Ca -0.14 -0.46 -0.08 0.00 -0.05 0.00 0.00 56.93 56.20 3dh3 s PHE 177 Cb -0.16 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.41 3dh3 s PHE 177 CO 0.05 0.12 0.13 0.50 -0.05 0.00 0.00 175.22 175.97 3dh3 s ARG 178 N -1.96 3.63 -0.02 1.99 3.52 0.36 -0.34 118.95 126.14 3dh3 s ARG 178 Ca 0.03 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3dh3 s ARG 178 Cb -0.09 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 3dh3 s ARG 178 CO 0.03 0.65 0.01 -1.50 -0.81 0.00 0.00 175.30 173.68 3dh3 s ILE 179 N -0.66 0.05 -0.17 4.11 2.07 0.46 -0.91 121.20 126.15 3dh3 s ILE 179 Ca 0.13 0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.47 3dh3 s ILE 179 Cb -0.12 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.34 3dh3 s ILE 179 CO 0.02 0.08 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.10 3dh3 s THR 180 N 0.72 2.69 0.30 4.00 2.01 -0.52 -0.52 115.64 124.32 3dh3 s THR 180 Ca -0.06 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.27 3dh3 s THR 180 Cb -0.09 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3dh3 s THR 180 CO -0.02 0.51 0.05 -0.76 -0.69 0.00 0.00 174.62 173.71 3dh3 s LEU 181 N 0.97 3.18 0.00 4.42 1.43 -0.49 -3.48 118.68 124.70 3dh3 s LEU 181 Ca -0.02 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3dh3 s LEU 181 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3dh3 s LEU 181 CO -0.02 -0.14 0.46 0.55 0.23 0.00 0.00 176.35 177.42 3dh3 n VAL 182 N -0.99 0.07 -4.05 -1.59 3.14 -1.26 -0.35 118.33 113.31 3dh3 n VAL 182 Ca -0.05 -0.45 -0.03 0.00 -2.96 0.00 0.00 64.34 60.85 3dh3 n VAL 182 Cb 0.60 1.12 -0.01 0.00 -1.06 0.00 0.00 33.84 34.49 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 -0.04 0.64 -2.71 1.45 10.64 -1.26 -4.19 117.38 121.91 3dh3 n GLN 183 Ca 0.00 -0.40 -0.07 0.00 -1.83 0.00 0.00 57.00 54.71 3dh3 n GLN 183 Cb 0.07 0.25 0.08 0.00 -0.86 0.00 0.00 30.24 29.77 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 1.36 -0.47 3.69 2.61 0.00 -1.26 -4.96 105.19 106.16 3dh3 n GLY 184 Ca -0.00 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.10 2.44 -0.05 0.99 1.43 -1.26 -4.82 118.68 116.31 3dh3 s LEU 185 Ca 0.26 1.79 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 3dh3 s LEU 185 Cb 0.25 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 3dh3 s LEU 185 CO -0.15 -2.84 2.02 -3.20 0.23 0.00 0.00 176.35 172.41 3dh3 n ASN 186 N -4.04 3.78 -3.57 2.29 2.85 -1.26 -1.56 115.26 113.76 3dh3 n ASN 186 Ca 0.08 0.74 -0.26 0.00 -0.11 0.00 0.00 54.58 55.04 3dh3 n ASN 186 Cb 0.54 -1.50 -0.00 0.00 1.24 0.00 0.00 39.78 40.06 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 7.68 -3.63 -0.14 1.20 1.74 -1.26 -4.84 116.66 117.40 3dh3 n ARG 187 Ca 0.23 0.48 -0.08 0.00 -0.77 0.00 0.00 57.85 57.72 3dh3 n ARG 187 Cb 0.39 -5.22 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 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 -1.20 -0.25 -0.59 5.56 4.15 -1.63 -1.64 115.11 119.52 3dh3 h GLN 188 Ca -0.48 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 58.86 3dh3 h GLN 188 Cb 1.32 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 3dh3 h GLN 188 CO 0.59 -0.16 -0.03 0.82 -1.93 0.00 0.00 178.83 178.12 3dh3 h ILE 189 N -0.25 1.27 -0.81 2.39 2.04 -1.88 0.52 117.51 120.79 3dh3 h ILE 189 Ca 0.18 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.88 3dh3 h ILE 189 Cb 0.56 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3dh3 h ILE 189 CO -0.59 0.43 0.52 0.03 0.00 0.00 0.00 178.15 178.54 3dh3 h ARG 190 N 0.96 1.00 -0.10 2.37 3.08 -1.76 -1.20 114.38 118.73 3dh3 h ARG 190 Ca 0.16 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 3dh3 h ARG 190 Cb 0.59 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3dh3 h ARG 190 CO 0.04 0.66 -0.67 0.00 -1.07 0.00 0.00 179.97 178.93 3dh3 h ARG 191 N 1.03 0.40 -0.44 0.04 3.08 -0.64 -2.50 114.38 115.35 3dh3 h ARG 191 Ca 0.31 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3dh3 h ARG 191 Cb -0.03 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3dh3 h ARG 191 CO -0.10 0.92 0.14 0.52 -1.07 0.00 0.00 179.97 180.39 3dh3 h MET 192 N 0.28 0.68 -0.43 0.04 2.86 -0.30 -2.54 114.93 115.53 3dh3 h MET 192 Ca -0.02 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3dh3 h MET 192 Cb 1.22 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3dh3 h MET 192 CO 0.11 0.66 0.13 0.00 1.06 0.00 0.00 176.91 178.88 3dh3 h GLU 194 N 0.55 1.10 -0.99 0.00 5.08 -0.99 0.16 114.58 119.49 3dh3 h GLU 194 Ca 0.14 -0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.62 3dh3 h GLU 194 Cb 0.27 -0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 3dh3 h GLU 194 CO -0.00 0.73 0.61 1.25 -1.00 0.00 0.00 179.01 180.60 3dh3 h HIS 195 N 1.14 0.99 -0.60 4.33 2.76 -1.17 -0.40 115.15 122.19 3dh3 h HIS 195 Ca 0.44 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.53 3dh3 h HIS 195 Cb 0.23 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 28.82 3dh3 h HIS 195 CO -0.00 0.23 0.14 1.19 -1.30 0.00 0.00 177.93 178.19 3dh3 n PHE 196 N -4.72 2.06 -0.87 5.26 0.99 0.45 -4.93 117.46 115.71 3dh3 n PHE 196 Ca 0.23 -0.90 0.00 0.00 -0.00 0.00 0.00 57.45 56.78 3dh3 n PHE 196 Cb 0.59 -0.57 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 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 0.18 0.57 3.90 1.37 0.00 -0.16 -4.99 105.19 106.06 3dh3 n GLY 197 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.63 3.47 -0.05 1.61 1.51 -0.60 -4.90 117.35 115.76 3dh3 s TYR 198 Ca 0.00 0.65 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 3dh3 s TYR 198 Cb 0.00 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3dh3 s TYR 198 CO 0.00 0.22 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.53 3dh3 s GLU 199 N -3.36 1.56 0.24 -0.62 2.12 -1.26 -2.25 118.70 115.13 3dh3 s GLU 199 Ca 0.44 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 3dh3 s GLU 199 Cb -0.11 -1.34 -0.09 0.00 0.26 0.00 0.00 34.13 32.85 3dh3 s GLU 199 CO 0.28 0.12 1.09 0.08 -0.54 0.00 0.00 175.26 176.30 3dh3 s VAL 200 N 0.33 3.65 -0.04 3.70 1.01 -1.26 -1.67 120.40 126.12 3dh3 s VAL 200 Ca -0.08 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.51 3dh3 s VAL 200 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3dh3 s VAL 200 CO 0.02 0.34 0.01 0.29 0.00 0.00 0.00 175.10 175.76 3dh3 n LYS 201 N 1.65 3.22 -3.87 2.72 4.76 0.24 -4.91 118.16 121.97 3dh3 n LYS 201 Ca 0.00 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3dh3 n LYS 201 Cb 0.45 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.43 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 -2.11 0.46 -0.28 1.97 2.20 -1.08 -4.96 119.74 115.95 3dh3 s LYS 202 Ca -0.02 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 3dh3 s LYS 202 Cb 0.01 0.19 0.16 0.00 -1.51 0.00 0.00 37.83 36.68 3dh3 s LYS 202 CO 0.18 -0.11 0.42 -1.17 -0.36 0.00 0.00 175.35 174.31 3dh3 s LEU 203 N -1.28 -0.82 -0.11 5.43 2.96 -1.26 -0.67 118.68 122.93 3dh3 s LEU 203 Ca -0.14 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3dh3 s LEU 203 Cb -0.07 1.20 0.02 0.00 0.50 0.00 0.00 46.19 47.84 3dh3 s LEU 203 CO 0.01 -0.33 -0.14 -0.70 -1.32 0.00 0.00 176.35 173.87 3dh3 s GLU 204 N 2.57 2.15 -0.20 1.98 2.12 -0.60 -1.50 118.70 125.22 3dh3 s GLU 204 Ca 0.11 -0.53 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 3dh3 s GLU 204 Cb -0.13 -1.87 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 3dh3 s GLU 204 CO -0.26 -0.10 0.52 0.50 -0.54 0.00 0.00 175.26 175.38 3dh3 s ARG 205 N 1.10 4.20 -0.01 4.30 3.52 -0.48 0.17 118.95 131.75 3dh3 s ARG 205 Ca -0.04 0.42 0.15 0.00 -0.13 0.00 0.00 55.73 56.12 3dh3 s ARG 205 Cb -0.14 -3.56 -0.18 0.00 -1.56 0.00 0.00 34.95 29.51 3dh3 s ARG 205 CO -0.03 -0.14 0.55 0.25 -0.81 0.00 0.00 175.30 175.12 3dh3 n THR 206 N 4.50 0.00 -3.64 4.11 -2.24 0.13 -1.22 114.28 115.93 3dh3 n THR 206 Ca -0.05 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3dh3 n THR 206 Cb 0.50 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.56 0.60 -0.18 -0.78 3.52 -1.19 -0.87 118.95 117.49 3dh3 s ARG 207 Ca 0.03 0.83 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 3dh3 s ARG 207 Cb 0.11 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3dh3 s ARG 207 CO 0.61 -0.09 -0.15 0.42 -0.81 0.00 0.00 175.30 175.28 3dh3 s ILE 208 N 0.73 1.82 0.00 4.11 1.01 0.35 -0.09 121.20 129.14 3dh3 s ILE 208 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3dh3 s ILE 208 Cb -0.05 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3dh3 s ILE 208 CO -0.09 0.39 0.00 0.23 0.00 0.00 0.00 174.94 175.47 3dh3 n MET 209 N 4.67 0.00 0.04 2.79 2.81 0.59 -0.51 117.12 127.51 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 33.41 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 4.11 0.43 -4.80 7.83 6.94 -1.26 -4.84 115.26 123.66 3dh3 n ASN 210 Ca 0.00 0.32 -0.32 0.00 -0.02 0.00 0.00 54.58 54.55 3dh3 n ASN 210 Cb 0.00 -0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 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 4.82 0.09 3.53 1.01 0.33 -5.03 120.40 122.09 3dh3 s VAL 211 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3dh3 s VAL 211 Cb 0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3dh3 s VAL 211 CO 0.61 0.29 -0.05 -0.94 0.00 0.00 0.00 175.10 175.01 3dh3 s SER 212 N -1.94 0.93 0.53 3.32 1.04 -1.26 -0.50 113.70 115.82 3dh3 s SER 212 Ca 0.25 -1.02 0.21 0.00 0.48 0.00 0.00 55.95 55.88 3dh3 s SER 212 Cb -0.12 0.13 1.36 0.00 0.10 0.00 0.00 66.02 67.49 3dh3 s SER 212 CO 0.17 -0.52 2.08 -0.07 0.98 0.00 0.00 173.24 175.88 3dh3 h LEU 213 N 3.00 0.00 -9.07 2.42 3.38 -1.30 -3.46 115.31 110.29 3dh3 h LEU 213 Ca -0.35 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 56.84 3dh3 h LEU 213 Cb 1.16 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.95 3dh3 h LEU 213 CO 0.65 0.00 0.37 -0.24 0.09 0.00 0.00 178.44 179.31 3dh3 n SER 214 N -4.42 0.85 0.00 -0.43 2.88 -1.26 -0.54 113.62 110.70 3dh3 n SER 214 Ca 0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3dh3 n SER 214 Cb 0.34 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 2.57 0.55 3.21 0.46 0.00 -1.26 -4.98 105.19 105.73 3dh3 n GLY 215 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.30 4.30 0.73 -0.61 1.01 0.30 -5.07 121.20 119.57 3dh3 s ILE 216 Ca 0.00 -2.09 -0.16 0.00 0.00 0.00 0.00 60.65 58.40 3dh3 s ILE 216 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.68 3dh3 s ILE 216 CO 0.00 -0.83 0.97 -0.81 0.00 0.00 0.00 174.94 174.28 3dh3 n PRO 217 N 4.53 0.46 -1.59 2.79 -0.04 -1.26 -4.76 135.00 135.13 3dh3 n PRO 217 Ca -0.02 0.22 -0.45 0.00 -0.04 0.00 0.00 63.50 63.20 3dh3 n PRO 217 Cb 0.41 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.80 1.76 -0.48 1.53 7.94 -1.26 -1.91 117.00 122.77 3dh3 n LEU 218 Ca 0.13 1.17 -0.06 0.00 -1.11 0.00 0.00 56.01 56.14 3dh3 n LEU 218 Cb 0.50 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3dh3 n LEU 218 CO 0.49 -1.39 -0.06 0.61 -1.11 0.00 0.00 177.39 175.93 3dh3 n GLY 219 N 1.34 0.83 3.39 -3.96 0.00 0.65 -5.00 105.19 102.45 3dh3 n GLY 219 Ca 0.10 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.19 1.46 0.05 1.61 0.41 -0.81 -4.94 118.70 114.30 3dh3 s GLU 220 Ca 0.00 -1.62 -0.10 0.00 -0.41 0.00 0.00 54.97 52.83 3dh3 s GLU 220 Cb 0.00 -1.43 0.01 0.00 -1.78 0.00 0.00 34.13 30.93 3dh3 s GLU 220 CO 0.00 0.26 0.22 1.67 -0.49 0.00 0.00 175.26 176.93 3dh3 s TRP 221 N -2.59 0.03 0.15 1.61 1.48 -1.26 -1.12 118.94 117.24 3dh3 s TRP 221 Ca 0.24 -0.27 -0.12 0.00 -1.06 0.00 0.00 56.10 54.89 3dh3 s TRP 221 Cb -0.03 -0.00 0.01 0.00 -1.16 0.00 0.00 33.47 32.28 3dh3 s TRP 221 CO 0.10 -0.47 0.34 -0.98 -4.06 0.00 0.00 176.95 171.88 3dh3 s ARG 222 N -2.82 1.14 0.80 3.25 1.70 -0.75 -4.96 118.95 117.31 3dh3 s ARG 222 Ca -0.03 -0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 54.13 3dh3 s ARG 222 Cb 0.00 0.42 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 3dh3 s ARG 222 CO -0.05 -0.43 1.09 -0.51 -1.08 0.00 0.00 175.30 174.32 3dh3 s ASP 223 N -2.90 4.28 0.16 -2.89 1.01 -1.26 -0.25 116.67 114.81 3dh3 s ASP 223 Ca 0.11 1.69 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 3dh3 s ASP 223 Cb 0.02 -2.40 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 3dh3 s ASP 223 CO -0.05 -2.16 1.04 -0.76 0.21 0.00 0.00 175.17 173.46 3dh3 s LEU 224 N -5.97 4.50 0.38 1.23 1.43 -1.02 -4.75 118.68 114.48 3dh3 s LEU 224 Ca 0.62 1.98 -0.27 0.00 -1.03 0.00 0.00 54.13 55.43 3dh3 s LEU 224 Cb -0.17 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 3dh3 s LEU 224 CO 0.56 -0.14 1.41 0.42 0.23 0.00 0.00 176.35 178.82 3dh3 s THR 225 N -0.23 2.30 0.43 5.49 -4.23 -1.26 -4.68 115.64 113.46 3dh3 s THR 225 Ca 0.48 0.29 0.30 0.00 -1.18 0.00 0.00 61.69 61.58 3dh3 s THR 225 Cb -0.27 -3.18 0.48 0.00 1.34 0.00 0.00 72.50 70.87 3dh3 s THR 225 CO 0.33 0.06 1.61 0.44 -0.54 0.00 0.00 174.62 176.52 3dh3 h ASP 226 N 2.93 0.24 0.00 3.99 5.19 -1.97 0.12 116.42 126.92 3dh3 h ASP 226 Ca -0.50 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 3dh3 h ASP 226 Cb 1.24 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.89 3dh3 h ASP 226 CO 0.64 -0.21 0.00 0.47 -3.12 0.00 0.00 179.24 177.01 3dh3 n ASP 227 N -4.74 0.00 -0.33 6.45 8.00 -1.26 0.05 116.55 124.73 3dh3 n ASP 227 Ca 0.38 0.97 0.19 0.00 0.71 0.00 0.00 54.79 57.04 3dh3 n ASP 227 Cb 1.45 -0.47 0.38 0.00 -0.02 0.00 0.00 41.12 42.47 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 0.07 -0.21 -1.24 5.08 -1.46 0.84 114.58 117.66 3dh3 h GLU 228 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3dh3 h GLU 228 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dh3 h GLU 228 CO 0.00 0.04 0.09 1.25 -1.00 0.00 0.00 179.01 179.40 3dh3 h LEU 229 N 0.07 0.29 0.71 1.33 5.85 -0.69 0.15 115.31 123.02 3dh3 h LEU 229 Ca 0.66 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.20 3dh3 h LEU 229 Cb 1.50 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.47 3dh3 h LEU 229 CO -0.81 0.35 -0.34 0.40 -0.34 0.00 0.00 178.44 177.70 3dh3 h ILE 230 N 0.20 0.00 -0.78 4.05 2.04 0.31 -2.44 117.51 120.88 3dh3 h ILE 230 Ca 0.07 -0.17 0.20 0.00 1.00 0.00 0.00 64.86 65.96 3dh3 h ILE 230 Cb 0.15 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.08 3dh3 h ILE 230 CO -0.01 0.00 -0.04 0.47 0.00 0.00 0.00 178.15 178.57 3dh3 n ASP 231 N -5.05 -0.14 -0.01 1.72 10.43 0.26 -0.19 116.55 123.57 3dh3 n ASP 231 Ca -0.12 1.34 -0.13 0.00 2.57 0.00 0.00 54.79 58.45 3dh3 n ASP 231 Cb 0.38 -0.46 -0.10 0.00 1.84 0.00 0.00 41.12 42.78 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 0.00 -1.67 0.64 6.46 -0.61 -2.07 115.31 118.06 3dh3 h LEU 232 Ca 0.45 -0.43 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3dh3 h LEU 232 Cb 0.87 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 3dh3 h LEU 232 CO -0.76 0.43 0.23 -0.26 -0.62 0.00 0.00 178.44 177.47 3dh3 h PHE 233 N -0.42 0.42 -0.48 1.25 0.04 -0.07 -0.37 116.94 117.31 3dh3 h PHE 233 Ca 0.00 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 3dh3 h PHE 233 Cb 0.43 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3dh3 h PHE 233 CO 0.07 0.26 -0.20 0.87 -0.60 0.00 0.00 178.31 178.72 3dh3 h LYS 234 N 0.45 0.97 0.00 1.51 1.79 -0.82 -1.90 116.57 118.57 3dh3 h LYS 234 Ca 0.13 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3dh3 h LYS 234 Cb -0.02 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3dh3 h LYS 234 CO -0.03 1.07 0.00 1.28 -1.08 0.00 0.00 179.45 180.69 3dh3 n LEU 235 N -4.12 0.00 -4.23 2.94 4.77 -0.15 -4.57 117.00 111.64 3dh3 n LEU 235 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 3dh3 n LEU 235 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 3dh3 n LEU 235 CO 0.46 0.00 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.34 3dh3 s ILE 236 N -2.00 1.86 0.00 -0.08 1.01 -0.71 -4.83 121.20 116.45 3dh3 s ILE 236 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.69 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 0.00 0.52 0.00 -1.84 0.00 0.00 0.00 174.94 173.62 3dh3 n GLU 237 N 2.94 0.00 0.00 2.79 -0.00 -1.26 -5.03 120.64 120.08 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 -3.67 -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 0.52 -0.65 0.04 6.41 0.15 -1.26 -4.98 113.70 113.93 3dh3 s SER 239 Ca 0.00 1.22 0.27 0.00 0.70 0.00 0.00 55.95 58.14 3dh3 s SER 239 Cb 0.00 1.21 0.97 0.00 -1.71 0.00 0.00 66.02 66.49 3dh3 s SER 239 CO 0.00 -0.21 1.76 -1.20 1.20 0.00 0.00 173.24 174.79 3dh3 n SER 240 N 3.00 0.27 -1.98 5.45 7.64 -1.26 -4.08 113.62 122.65 3dh3 n SER 240 Ca -0.15 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3dh3 n SER 240 Cb 0.56 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.66 1.79 0.00 6.43 7.64 -1.26 -4.86 113.62 121.70 3dh3 n SER 241 Ca 0.06 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.95 3dh3 n SER 241 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3dh3 n SER 241 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19