#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dj1 n ALA 11 N 0.00 0.89 -2.71 1.79 0.00 -1.26 -4.95 120.51 114.27 3dj1 n ALA 11 Ca 0.00 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 3dj1 n ALA 11 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 3dj1 n ALA 11 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dj1 s VAL 12 N -1.23 5.12 0.06 0.00 1.01 -1.26 -5.05 120.40 119.04 3dj1 s VAL 12 Ca 0.62 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.82 3dj1 s VAL 12 Cb -0.52 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3dj1 s VAL 12 CO 0.57 0.27 -0.15 0.68 0.00 0.00 0.00 175.10 176.47 3dj1 s VAL 13 N 0.90 3.03 -0.06 2.92 -7.23 -1.26 -4.45 120.40 114.26 3dj1 s VAL 13 Ca 0.30 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 3dj1 s VAL 13 Cb -0.16 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3dj1 s VAL 13 CO 0.13 0.26 -0.24 -1.58 -0.31 0.00 0.00 175.10 173.36 3dj1 s GLN 14 N -1.70 2.55 -0.08 4.82 0.74 0.45 -4.92 119.66 121.51 3dj1 s GLN 14 Ca 0.17 -0.88 -0.23 0.00 0.05 0.00 0.00 55.36 54.47 3dj1 s GLN 14 Cb -0.11 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 3dj1 s GLN 14 CO 0.08 0.41 0.68 0.50 -0.55 0.00 0.00 175.29 176.41 3dj1 s ARG 15 N -0.22 4.41 -0.25 1.67 3.52 -1.26 -0.85 118.95 125.96 3dj1 s ARG 15 Ca -0.02 0.83 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 3dj1 s ARG 15 Cb -0.13 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3dj1 s ARG 15 CO 0.03 0.04 -0.03 0.08 -0.81 0.00 0.00 175.30 174.61 3dj1 s VAL 16 N 0.90 1.56 -0.27 7.11 1.01 0.26 -4.99 120.40 125.98 3dj1 s VAL 16 Ca 0.36 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 3dj1 s VAL 16 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3dj1 s VAL 16 CO 0.17 -0.21 0.35 -0.70 0.00 0.00 0.00 175.10 174.71 3dj1 s GLU 17 N 1.36 3.99 -0.18 2.72 2.12 -1.26 -0.79 118.70 126.66 3dj1 s GLU 17 Ca -0.03 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.29 3dj1 s GLU 17 Cb -0.19 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.55 3dj1 s GLU 17 CO -0.08 -0.28 -0.17 0.42 -0.54 0.00 0.00 175.26 174.61 3dj1 s ILE 18 N 2.04 2.33 -0.45 -3.70 1.01 -0.12 -4.77 121.20 117.54 3dj1 s ILE 18 Ca 0.14 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 3dj1 s ILE 18 Cb -0.16 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.34 3dj1 s ILE 18 CO 0.10 0.52 0.77 -1.00 0.00 0.00 0.00 174.94 175.33 3dj1 s HIS 19 N 1.26 3.00 0.68 3.97 3.76 -1.26 -1.20 115.29 125.50 3dj1 s HIS 19 Ca 0.04 0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.92 3dj1 s HIS 19 Cb -0.14 -3.62 -0.01 0.00 1.11 0.00 0.00 32.58 29.93 3dj1 s HIS 19 CO -0.10 -0.97 1.04 1.63 -0.85 0.00 0.00 174.74 175.50 3dj1 n LYS 20 N 6.66 0.70 -1.66 1.40 5.02 0.31 -4.77 118.16 125.81 3dj1 n LYS 20 Ca 0.02 0.29 -0.31 0.00 -2.02 0.00 0.00 58.31 56.29 3dj1 n LYS 20 Cb 0.48 -2.28 0.04 0.00 -0.02 0.00 0.00 35.03 33.25 3dj1 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dj1 s LEU 21 N -3.23 3.18 -0.03 -0.35 1.43 0.60 -4.81 118.68 115.48 3dj1 s LEU 21 Ca 0.76 1.60 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 3dj1 s LEU 21 Cb -0.37 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.35 3dj1 s LEU 21 CO 0.47 -1.33 -0.18 -0.60 0.23 0.00 0.00 176.35 174.95 3dj1 s ARG 22 N -4.98 1.64 -0.32 1.70 3.52 -1.26 -0.16 118.95 119.09 3dj1 s ARG 22 Ca 0.58 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 3dj1 s ARG 22 Cb -0.14 -1.50 0.11 0.00 -1.56 0.00 0.00 34.95 31.86 3dj1 s ARG 22 CO 0.53 0.32 0.14 -1.14 -0.81 0.00 0.00 175.30 174.34 3dj1 s GLN 23 N -0.20 0.53 7.97 5.12 -0.44 -0.12 -4.96 119.66 127.55 3dj1 s GLN 23 Ca 0.02 -0.98 0.00 0.00 -2.50 0.00 0.00 55.36 51.90 3dj1 s GLN 23 Cb -0.09 -1.59 0.00 0.00 -1.64 0.00 0.00 33.01 29.69 3dj1 s GLN 23 CO 0.01 -1.05 0.00 0.41 0.50 0.00 0.00 175.29 175.16 3dj1 n GLY 24 N 4.77 3.61 0.69 2.59 0.00 -1.26 -1.35 105.19 114.23 3dj1 n GLY 24 Ca -0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3dj1 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dj1 n GLU 25 N 13.07 1.85 -3.75 1.61 -0.58 -1.26 -4.94 120.64 126.64 3dj1 n GLU 25 Ca 0.00 -1.38 -0.32 0.00 -0.42 0.00 0.00 57.16 55.03 3dj1 n GLU 25 Cb 0.00 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.35 3dj1 n GLU 25 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dj1 s ASN 26 N -2.10 6.47 -0.11 1.62 0.01 -0.46 -5.09 114.94 115.28 3dj1 s ASN 26 Ca 0.30 0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 52.93 3dj1 s ASN 26 Cb 0.20 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 3dj1 s ASN 26 CO 0.36 0.14 0.01 -0.76 -1.51 0.00 0.00 177.10 175.34 3dj1 s LEU 27 N -2.36 3.62 -0.05 0.60 1.43 -1.26 -0.95 118.68 119.71 3dj1 s LEU 27 Ca 0.36 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 3dj1 s LEU 27 Cb -0.13 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3dj1 s LEU 27 CO 0.23 0.33 -0.23 -0.63 0.23 0.00 0.00 176.35 176.28 3dj1 s ILE 28 N -0.56 1.86 0.05 -0.59 -1.09 0.78 -4.95 121.20 116.70 3dj1 s ILE 28 Ca 0.10 -0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 3dj1 s ILE 28 Cb -0.12 -1.58 -0.16 0.00 -1.58 0.00 0.00 42.46 39.02 3dj1 s ILE 28 CO 0.02 0.52 1.27 -0.07 -1.23 0.00 0.00 174.94 175.45 3dj1 h LEU 29 N 6.11 0.62 0.00 2.97 3.38 -1.93 0.17 115.31 126.63 3dj1 h LEU 29 Ca -0.32 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3dj1 h LEU 29 Cb 1.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3dj1 h LEU 29 CO 0.47 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.73 3dj1 n GLY 30 N 0.58 0.66 3.51 0.83 0.00 -1.26 -4.44 105.19 105.07 3dj1 n GLY 30 Ca -0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3dj1 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dj1 s PHE 31 N -2.00 -0.35 0.19 1.61 -0.12 -1.26 -0.45 117.98 115.61 3dj1 s PHE 31 Ca 0.00 0.20 0.08 0.00 -0.05 0.00 0.00 56.93 57.16 3dj1 s PHE 31 Cb 0.00 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 3dj1 s PHE 31 CO 0.00 -0.56 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.34 3dj1 s SER 32 N -2.50 2.57 0.26 1.98 0.01 -0.58 -4.96 113.70 110.47 3dj1 s SER 32 Ca 0.05 -0.98 0.08 0.00 1.31 0.00 0.00 55.95 56.41 3dj1 s SER 32 Cb -0.01 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 3dj1 s SER 32 CO -0.09 -0.15 -0.11 0.27 0.41 0.00 0.00 173.24 173.58 3dj1 s ILE 33 N -2.77 1.83 0.23 1.44 -4.36 -1.26 -0.56 121.20 115.75 3dj1 s ILE 33 Ca 0.21 -2.20 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 3dj1 s ILE 33 Cb -0.02 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.36 3dj1 s ILE 33 CO 0.07 -0.41 0.25 -0.83 0.24 0.00 0.00 174.94 174.25 3dj1 s GLY 34 N -3.42 1.32 0.00 6.27 0.00 0.55 -4.76 107.32 107.29 3dj1 s GLY 34 Ca 0.27 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.46 3dj1 s GLY 34 CO 0.11 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.62 3dj1 n GLY 35 N -0.35 -1.82 0.00 0.20 0.00 -1.26 -0.88 105.19 101.08 3dj1 n GLY 35 Ca 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3dj1 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dj1 n GLY 36 N 0.00 3.60 0.01 -0.02 0.00 -0.35 -4.13 105.19 104.30 3dj1 n GLY 36 Ca 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.27 3dj1 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dj1 n ILE 37 N -1.27 1.31 -0.26 -0.61 -5.35 -0.39 -2.02 119.36 110.76 3dj1 n ILE 37 Ca 0.00 0.34 0.08 0.00 -0.27 0.00 0.00 62.75 62.90 3dj1 n ILE 37 Cb 0.00 -1.18 0.22 0.00 -1.74 0.00 0.00 39.64 36.94 3dj1 n ILE 37 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3dj1 n ASP 38 N -1.55 3.33 -4.65 7.28 5.75 -1.26 -4.99 116.55 120.45 3dj1 n ASP 38 Ca 0.02 -2.01 -0.24 0.00 -0.01 0.00 0.00 54.79 52.55 3dj1 n ASP 38 Cb 0.12 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 3dj1 n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3dj1 s GLN 39 N -1.02 2.13 -0.42 0.11 -1.52 -0.86 -5.01 119.66 113.07 3dj1 s GLN 39 Ca 0.33 -1.74 -0.22 0.00 -1.95 0.00 0.00 55.36 51.78 3dj1 s GLN 39 Cb 0.17 -1.96 0.02 0.00 -0.22 0.00 0.00 33.01 31.02 3dj1 s GLN 39 CO 0.22 0.11 0.73 0.34 -0.25 0.00 0.00 175.29 176.44 3dj1 s ASP 40 N -3.75 6.42 0.52 5.90 -1.08 -1.26 -4.86 116.67 118.56 3dj1 s ASP 40 Ca 0.36 -0.04 0.31 0.00 -0.52 0.00 0.00 52.55 52.66 3dj1 s ASP 40 Cb 0.00 -2.37 1.45 0.00 -1.46 0.00 0.00 42.92 40.55 3dj1 s ASP 40 CO 0.20 -0.81 1.84 -0.65 0.52 0.00 0.00 175.17 176.27 3dj1 h PRO 41 N 8.80 0.06 0.00 4.34 0.11 -1.91 0.43 132.00 143.84 3dj1 h PRO 41 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3dj1 h PRO 41 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dj1 h PRO 41 CO 0.92 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 179.41 3dj1 h SER 42 N 0.06 0.00 0.65 -2.05 4.64 -1.91 -0.73 113.55 114.21 3dj1 h SER 42 Ca 0.50 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.59 3dj1 h SER 42 Cb 1.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 3dj1 h SER 42 CO -0.05 0.00 -1.05 1.56 -0.87 0.00 0.00 176.83 176.42 3dj1 h GLN 43 N 0.00 0.21 -6.68 4.77 7.50 -0.53 -3.43 115.11 116.96 3dj1 h GLN 43 Ca 0.00 -0.30 -0.56 0.00 0.50 0.00 0.00 58.65 58.29 3dj1 h GLN 43 Cb 0.17 0.10 -0.07 0.00 0.05 0.00 0.00 27.48 27.74 3dj1 h GLN 43 CO 0.00 1.09 0.95 1.21 -1.50 0.00 0.00 178.83 180.58 3dj1 s ASN 44 N -7.00 6.57 0.35 1.46 2.47 -0.28 -4.89 114.94 113.62 3dj1 s ASN 44 Ca -0.03 0.40 0.26 0.00 0.42 0.00 0.00 52.86 53.91 3dj1 s ASN 44 Cb 0.09 -2.55 1.21 0.00 -1.45 0.00 0.00 41.25 38.55 3dj1 s ASN 44 CO 0.85 -1.32 1.78 -0.65 -3.72 0.00 0.00 177.10 174.04 3dj1 h PRO 45 N 9.41 0.00 -0.01 0.43 0.11 -1.84 -2.16 132.00 137.94 3dj1 h PRO 45 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3dj1 h PRO 45 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dj1 h PRO 45 CO 1.14 0.00 -0.68 1.19 -0.21 0.00 0.00 178.00 179.44 3dj1 n PHE 46 N -2.42 0.00 -0.09 0.65 3.72 -1.26 -5.17 117.46 112.89 3dj1 n PHE 46 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 3dj1 n PHE 46 Cb 0.16 -0.06 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3dj1 n PHE 46 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dj1 n SER 47 N -0.99 -1.82 -0.06 4.37 3.41 -0.82 -5.08 113.62 112.63 3dj1 n SER 47 Ca 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3dj1 n SER 47 Cb 0.37 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3dj1 n SER 47 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3dj1 n ASP 52 N -2.18 -0.24 -1.24 4.04 -0.08 -1.26 -5.09 116.55 110.51 3dj1 n ASP 52 Ca 0.02 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.41 3dj1 n ASP 52 Cb 0.09 -0.12 0.29 0.00 2.34 0.00 0.00 41.12 43.73 3dj1 n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3dj1 n LYS 53 N 2.64 2.83 -0.71 -0.67 5.02 -1.26 -4.60 118.16 121.40 3dj1 n LYS 53 Ca 0.00 -2.57 -0.28 0.00 -2.02 0.00 0.00 58.31 53.44 3dj1 n LYS 53 Cb 0.00 -1.54 0.24 0.00 -0.02 0.00 0.00 35.03 33.71 3dj1 n LYS 53 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dj1 s GLY 54 N -1.00 1.54 -0.06 0.72 0.00 -1.26 -1.21 107.32 106.05 3dj1 s GLY 54 Ca 0.44 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.69 3dj1 s GLY 54 CO 0.29 0.47 0.66 -0.42 0.00 0.00 0.00 173.10 174.10 3dj1 s ILE 55 N -2.60 5.03 0.10 0.90 -1.09 -1.26 -2.91 121.20 119.37 3dj1 s ILE 55 Ca 0.68 1.37 0.07 0.00 -2.23 0.00 0.00 60.65 60.54 3dj1 s ILE 55 Cb -0.23 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 3dj1 s ILE 55 CO 0.63 0.29 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.14 3dj1 s TYR 56 N 0.60 1.59 -0.16 3.97 2.02 -0.06 -1.03 117.35 124.28 3dj1 s TYR 56 Ca 0.35 -0.45 -0.27 0.00 -0.37 0.00 0.00 57.07 56.33 3dj1 s TYR 56 Cb -0.18 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 3dj1 s TYR 56 CO 0.17 0.17 0.92 0.08 -1.57 0.00 0.00 175.55 175.32 3dj1 s VAL 57 N -1.37 4.82 -0.03 0.71 1.01 -0.30 -0.33 120.40 124.91 3dj1 s VAL 57 Ca 0.05 1.82 0.20 0.00 0.00 0.00 0.00 61.98 64.05 3dj1 s VAL 57 Cb -0.09 -4.22 -0.30 0.00 0.00 0.00 0.00 36.38 31.77 3dj1 s VAL 57 CO 0.04 -0.01 0.43 0.35 0.00 0.00 0.00 175.10 175.90 3dj1 n THR 58 N 4.78 0.00 -3.68 3.92 -2.24 0.28 0.19 114.28 117.54 3dj1 n THR 58 Ca 0.07 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3dj1 n THR 58 Cb 0.48 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3dj1 n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dj1 s ARG 59 N -3.36 0.86 -0.04 -0.78 0.52 -1.21 -4.86 118.95 110.07 3dj1 s ARG 59 Ca -0.07 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 3dj1 s ARG 59 Cb 0.13 0.39 0.03 0.00 0.52 0.00 0.00 34.95 36.01 3dj1 s ARG 59 CO 0.82 -0.27 0.06 0.08 0.02 0.00 0.00 175.30 176.01 3dj1 s VAL 60 N -1.89 -0.11 -0.05 3.52 1.01 -1.26 -1.52 120.40 120.10 3dj1 s VAL 60 Ca -0.09 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3dj1 s VAL 60 Cb -0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 3dj1 s VAL 60 CO 0.02 0.16 1.69 -0.44 0.00 0.00 0.00 175.10 176.53 3dj1 s SER 61 N 2.02 6.64 -0.04 3.32 0.01 0.40 -4.92 113.70 121.13 3dj1 s SER 61 Ca 0.03 2.28 -0.37 0.00 1.31 0.00 0.00 55.95 59.20 3dj1 s SER 61 Cb -0.12 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 3dj1 s SER 61 CO -0.03 -0.95 1.61 1.21 0.41 0.00 0.00 173.24 175.49 3dj1 n GLU 62 N 7.19 1.53 -0.82 12.44 0.00 -1.26 -0.73 120.64 138.99 3dj1 n GLU 62 Ca 0.18 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.89 3dj1 n GLU 62 Cb 0.43 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.59 3dj1 n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dj1 n GLY 63 N 3.53 0.58 3.80 8.31 0.00 -1.26 -5.00 105.19 115.15 3dj1 n GLY 63 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3dj1 n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dj1 s GLY 64 N -2.00 1.61 0.55 -0.02 0.00 0.09 -4.82 107.32 102.73 3dj1 s GLY 64 Ca 0.00 -0.68 0.30 0.00 0.00 0.00 0.00 44.72 44.34 3dj1 s GLY 64 CO 0.00 -0.06 2.13 -0.56 0.00 0.00 0.00 173.10 174.61 3dj1 h PRO 65 N -1.60 0.00 -0.13 2.90 0.13 -1.86 -1.45 132.00 130.00 3dj1 h PRO 65 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3dj1 h PRO 65 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 3dj1 h PRO 65 CO 0.56 0.08 -0.48 0.00 -0.23 0.00 0.00 178.00 177.93 3dj1 h ALA 66 N 1.92 0.23 -0.33 -0.56 0.00 -1.81 -1.26 119.26 117.45 3dj1 h ALA 66 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dj1 h ALA 66 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dj1 h ALA 66 CO 0.01 0.40 0.08 1.49 0.00 0.00 0.00 179.25 181.23 3dj1 h GLU 67 N 0.18 0.52 -0.29 0.00 4.81 -1.68 -0.41 114.58 117.71 3dj1 h GLU 67 Ca -0.02 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3dj1 h GLU 67 Cb 1.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3dj1 h GLU 67 CO 0.10 0.58 0.05 0.82 -0.73 0.00 0.00 179.01 179.83 3dj1 h ILE 68 N 0.37 1.15 0.00 2.32 1.08 -1.28 -2.23 117.51 118.92 3dj1 h ILE 68 Ca 0.10 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3dj1 h ILE 68 Cb 0.29 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3dj1 h ILE 68 CO 0.00 0.20 0.00 0.00 -0.69 0.00 0.00 178.15 177.66 3dj1 n ALA 69 N -2.48 2.32 0.00 1.87 0.00 -0.48 -4.91 120.51 116.82 3dj1 n ALA 69 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3dj1 n ALA 69 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3dj1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dj1 n GLY 70 N 1.30 1.02 3.75 0.00 0.00 -0.84 -4.61 105.19 105.80 3dj1 n GLY 70 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dj1 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dj1 s LEU 71 N 0.00 4.53 0.08 0.99 0.20 -0.20 -5.02 118.68 119.27 3dj1 s LEU 71 Ca 0.00 2.11 0.07 0.00 0.69 0.00 0.00 54.13 56.99 3dj1 s LEU 71 Cb 0.00 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.12 3dj1 s LEU 71 CO 0.00 -0.14 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.65 3dj1 s GLN 72 N -0.77 0.98 0.42 1.98 -0.21 -1.26 -4.44 119.66 116.36 3dj1 s GLN 72 Ca 0.47 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.54 3dj1 s GLN 72 Cb -0.29 -1.11 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 3dj1 s GLN 72 CO 0.36 0.26 1.43 0.96 -2.12 0.00 0.00 175.29 176.18 3dj1 s ILE 73 N -1.20 2.12 0.00 1.08 -4.36 -1.26 -1.80 121.20 115.78 3dj1 s ILE 73 Ca 0.02 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.53 3dj1 s ILE 73 Cb -0.10 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.54 3dj1 s ILE 73 CO 0.03 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.84 3dj1 n GLY 74 N 0.56 1.60 3.77 6.27 0.00 0.13 -4.97 105.19 112.54 3dj1 n GLY 74 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3dj1 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dj1 s ASP 75 N -2.63 6.36 -0.18 1.61 1.11 -0.75 -4.65 116.67 117.54 3dj1 s ASP 75 Ca 0.00 3.01 -0.16 0.00 0.18 0.00 0.00 52.55 55.58 3dj1 s ASP 75 Cb 0.00 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 3dj1 s ASP 75 CO 0.00 -0.88 0.41 -0.75 1.18 0.00 0.00 175.17 175.14 3dj1 s LYS 76 N -1.66 4.21 -0.35 8.23 2.20 -0.47 -1.15 119.74 130.75 3dj1 s LYS 76 Ca 0.55 0.26 -0.22 0.00 -0.36 0.00 0.00 55.97 56.20 3dj1 s LYS 76 Cb -0.47 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.35 3dj1 s LYS 76 CO 0.59 0.01 0.72 0.42 -0.36 0.00 0.00 175.35 176.73 3dj1 s ILE 77 N 1.13 4.81 -0.07 5.43 1.01 -0.20 -1.51 121.20 131.80 3dj1 s ILE 77 Ca 0.20 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.64 3dj1 s ILE 77 Cb -0.15 -4.14 -0.25 0.00 0.01 0.00 0.00 42.46 37.93 3dj1 s ILE 77 CO 0.08 -0.36 0.54 0.24 0.00 0.00 0.00 174.94 175.44 3dj1 h MET 78 N 8.44 0.16 -3.41 2.79 2.86 -1.21 -3.41 114.93 121.16 3dj1 h MET 78 Ca -0.25 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 56.97 3dj1 h MET 78 Cb 1.10 0.10 -0.20 0.00 0.06 0.00 0.00 31.60 32.67 3dj1 h MET 78 CO 0.87 0.93 -0.42 -0.65 1.06 0.00 0.00 176.91 178.71 3dj1 s GLN 79 N -2.58 0.58 -0.17 1.72 -0.21 -0.99 -0.77 119.66 117.23 3dj1 s GLN 79 Ca -0.14 -0.40 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 3dj1 s GLN 79 Cb 0.07 0.24 0.05 0.00 1.00 0.00 0.00 33.01 34.37 3dj1 s GLN 79 CO 0.80 -0.15 -0.01 0.08 -2.12 0.00 0.00 175.29 173.89 3dj1 s VAL 80 N -1.64 0.83 -1.63 1.09 1.01 -0.55 -1.88 120.40 117.63 3dj1 s VAL 80 Ca -0.12 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3dj1 s VAL 80 Cb -0.06 -1.13 0.14 0.00 0.00 0.00 0.00 36.38 35.34 3dj1 s VAL 80 CO 0.01 0.01 0.81 0.59 0.00 0.00 0.00 175.10 176.53 3dj1 n ASN 81 N 4.96 -3.72 0.00 3.32 3.02 0.20 -0.77 115.26 122.27 3dj1 n ASN 81 Ca -0.10 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3dj1 n ASN 81 Cb 0.48 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3dj1 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dj1 n GLY 82 N -1.43 3.15 3.71 7.41 0.00 -1.26 -5.03 105.19 111.74 3dj1 n GLY 82 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3dj1 n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dj1 s TRP 83 N -2.16 3.57 0.18 1.61 0.51 0.05 -4.99 118.94 117.70 3dj1 s TRP 83 Ca 0.00 1.52 -0.31 0.00 -2.12 0.00 0.00 56.10 55.19 3dj1 s TRP 83 Cb 0.00 -3.26 -0.10 0.00 -0.81 0.00 0.00 33.47 29.30 3dj1 s TRP 83 CO 0.00 -0.60 1.58 0.34 -0.51 0.00 0.00 176.95 177.76 3dj1 s ASP 84 N 0.87 6.56 0.00 2.95 -1.08 -1.26 -1.48 116.67 123.23 3dj1 s ASP 84 Ca 0.54 2.67 0.06 0.00 -0.52 0.00 0.00 52.55 55.30 3dj1 s ASP 84 Cb -0.26 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 38.74 3dj1 s ASP 84 CO 0.29 -0.84 0.97 0.23 0.52 0.00 0.00 175.17 176.35 3dj1 n MET 85 N 3.79 1.73 0.25 4.34 2.81 0.05 -4.69 117.12 125.40 3dj1 n MET 85 Ca 0.13 -1.45 0.13 0.00 -1.81 0.00 0.00 57.70 54.70 3dj1 n MET 85 Cb 0.38 -1.15 0.63 0.00 -0.71 0.00 0.00 33.22 32.38 3dj1 n MET 85 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3dj1 h THR 86 N 1.24 0.38 -1.83 2.03 1.35 -1.79 -3.35 112.91 110.93 3dj1 h THR 86 Ca 0.00 -0.75 -0.51 0.00 -0.55 0.00 0.00 66.41 64.60 3dj1 h THR 86 Cb 0.49 1.55 -0.37 0.00 -1.73 0.00 0.00 68.15 68.09 3dj1 h THR 86 CO 0.00 0.12 -1.08 0.23 -0.25 0.00 0.00 175.52 174.54 3dj1 n MET 87 N -3.36 0.79 -4.29 4.72 2.81 -1.26 -4.62 117.12 111.92 3dj1 n MET 87 Ca -0.00 -3.14 -0.15 0.00 -1.81 0.00 0.00 57.70 52.59 3dj1 n MET 87 Cb 0.33 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.38 3dj1 n MET 87 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dj1 s VAL 88 N -1.37 0.98 0.80 2.03 -7.23 -1.26 -4.95 120.40 109.40 3dj1 s VAL 88 Ca 0.36 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 3dj1 s VAL 88 Cb 0.23 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 35.07 3dj1 s VAL 88 CO -0.11 -0.46 1.12 0.42 -0.31 0.00 0.00 175.10 175.76 3dj1 s THR 89 N -3.46 2.74 0.17 5.32 -4.23 -1.26 -1.27 115.64 113.65 3dj1 s THR 89 Ca 0.25 0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3dj1 s THR 89 Cb 0.05 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.85 3dj1 s THR 89 CO 0.06 -0.31 1.73 -0.74 -0.54 0.00 0.00 174.62 174.81 3dj1 h HIS 90 N -1.05 0.87 -0.52 3.99 2.76 -1.89 -2.53 115.15 116.78 3dj1 h HIS 90 Ca -0.47 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 57.56 3dj1 h HIS 90 Cb 1.29 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 3dj1 h HIS 90 CO 0.41 0.70 0.02 0.22 -1.30 0.00 0.00 177.93 177.98 3dj1 h ASP 91 N 0.79 0.82 -0.69 3.26 3.58 -1.92 -0.27 116.42 121.99 3dj1 h ASP 91 Ca 0.19 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3dj1 h ASP 91 Cb 0.20 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3dj1 h ASP 91 CO -0.02 0.87 0.25 1.56 -2.88 0.00 0.00 179.24 179.02 3dj1 h GLN 92 N 0.80 1.07 -0.16 0.28 4.20 -1.88 0.15 115.11 119.56 3dj1 h GLN 92 Ca 0.16 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3dj1 h GLN 92 Cb 0.45 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3dj1 h GLN 92 CO 0.02 0.89 -0.07 0.00 -0.67 0.00 0.00 178.83 179.00 3dj1 h ALA 93 N 1.23 0.22 -0.66 3.87 0.00 -1.09 -2.63 119.26 120.20 3dj1 h ALA 93 Ca 0.23 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3dj1 h ALA 93 Cb 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3dj1 h ALA 93 CO -0.01 0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.60 3dj1 h ARG 94 N 0.01 0.60 -0.63 0.00 3.08 -0.65 -1.57 114.38 115.22 3dj1 h ARG 94 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3dj1 h ARG 94 Cb 0.53 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3dj1 h ARG 94 CO 0.02 0.40 0.39 0.87 -1.07 0.00 0.00 179.97 180.58 3dj1 h LYS 95 N 0.62 0.76 -0.31 0.04 1.57 -0.63 -0.81 116.57 117.80 3dj1 h LYS 95 Ca 0.31 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 3dj1 h LYS 95 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3dj1 h LYS 95 CO -0.22 0.50 -0.02 0.00 -0.57 0.00 0.00 179.45 179.14 3dj1 h ARG 96 N 0.78 0.48 0.00 3.15 2.47 -1.01 -2.96 114.38 117.30 3dj1 h ARG 96 Ca 0.25 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3dj1 h ARG 96 Cb -0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3dj1 h ARG 96 CO -0.09 0.53 -0.35 -0.07 0.56 0.00 0.00 179.97 180.54 3dj1 h LEU 97 N 0.46 0.00 -3.40 3.04 3.38 -0.59 -3.37 115.31 114.83 3dj1 h LEU 97 Ca 0.10 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 3dj1 h LEU 97 Cb 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 3dj1 h LEU 97 CO 0.01 0.35 -0.04 0.35 0.09 0.00 0.00 178.44 179.20 3dj1 n THR 98 N -3.19 2.60 -1.88 0.22 -2.24 -0.38 -4.97 114.28 104.44 3dj1 n THR 98 Ca 0.03 -2.71 -0.42 0.00 -2.27 0.00 0.00 64.05 58.67 3dj1 n THR 98 Cb 0.67 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3dj1 n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dj1 s LYS 99 N -3.26 4.17 0.50 -0.78 -0.14 -1.22 -4.88 119.74 114.14 3dj1 s LYS 99 Ca 0.46 2.36 0.25 0.00 -1.36 0.00 0.00 55.97 57.67 3dj1 s LYS 99 Cb 0.41 -3.93 1.35 0.00 -1.68 0.00 0.00 37.83 33.98 3dj1 s LYS 99 CO 0.00 -0.85 2.04 0.00 -0.76 0.00 0.00 175.35 175.79 3dj1 h ARG 100 N 9.51 0.00 -0.04 1.68 3.08 -1.95 -2.29 114.38 124.38 3dj1 h ARG 100 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3dj1 h ARG 100 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3dj1 h ARG 100 CO 0.94 0.14 0.00 -1.13 -1.07 0.00 0.00 179.97 178.86 3dj1 n SER 101 N -3.73 0.56 -4.03 7.04 3.41 -1.26 -4.72 113.62 110.90 3dj1 n SER 101 Ca -0.02 -1.42 -0.31 0.00 -0.26 0.00 0.00 58.87 56.86 3dj1 n SER 101 Cb 0.25 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 3dj1 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dj1 s GLU 102 N -1.95 2.04 0.09 4.33 2.02 -0.86 -4.96 118.70 119.40 3dj1 s GLU 102 Ca 0.34 -1.21 0.28 0.00 0.02 0.00 0.00 54.97 54.39 3dj1 s GLU 102 Cb 0.16 -2.78 1.04 0.00 0.10 0.00 0.00 34.13 32.66 3dj1 s GLU 102 CO 0.27 -0.57 1.85 0.39 0.02 0.00 0.00 175.26 177.22 3dj1 n GLU 103 N 4.52 0.11 -4.65 1.61 1.02 -1.26 -4.78 120.64 117.21 3dj1 n GLU 103 Ca -0.13 0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 3dj1 n GLU 103 Cb 0.43 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 3dj1 n GLU 103 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dj1 s VAL 104 N -3.04 1.13 -0.07 2.62 1.01 -1.26 -0.53 120.40 120.26 3dj1 s VAL 104 Ca 0.12 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3dj1 s VAL 104 Cb 0.16 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 3dj1 s VAL 104 CO 0.56 0.33 -0.20 0.68 0.00 0.00 0.00 175.10 176.47 3dj1 s VAL 105 N -0.14 1.71 -0.21 2.92 -7.23 -0.34 -4.98 120.40 112.13 3dj1 s VAL 105 Ca 0.02 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3dj1 s VAL 105 Cb -0.08 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 3dj1 s VAL 105 CO 0.00 0.48 -0.06 -0.13 -0.31 0.00 0.00 175.10 175.08 3dj1 s ARG 106 N 0.17 3.35 0.16 4.82 0.52 -1.26 -0.95 118.95 125.77 3dj1 s ARG 106 Ca -0.10 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 3dj1 s ARG 106 Cb -0.14 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 3dj1 s ARG 106 CO 0.05 -0.15 0.02 -0.51 0.02 0.00 0.00 175.30 174.73 3dj1 s LEU 107 N 1.34 3.41 -0.18 2.53 1.43 0.03 0.59 118.68 127.83 3dj1 s LEU 107 Ca 0.04 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3dj1 s LEU 107 Cb -0.14 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3dj1 s LEU 107 CO -0.03 0.10 -0.16 -0.76 0.23 0.00 0.00 176.35 175.72 3dj1 s LEU 108 N -2.90 2.07 0.28 1.79 1.43 -0.79 -0.57 118.68 120.00 3dj1 s LEU 108 Ca 0.28 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3dj1 s LEU 108 Cb -0.10 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 3dj1 s LEU 108 CO 0.19 -0.05 0.05 0.68 0.23 0.00 0.00 176.35 177.46 3dj1 s VAL 109 N 1.36 0.96 0.03 -1.59 -7.23 -0.03 -0.67 120.40 113.24 3dj1 s VAL 109 Ca 0.03 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 3dj1 s VAL 109 Cb -0.14 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 3dj1 s VAL 109 CO -0.11 -0.09 0.15 0.28 -0.31 0.00 0.00 175.10 175.02 3dj1 s THR 110 N -3.47 0.11 0.03 5.32 -1.32 -0.57 -0.41 115.64 115.34 3dj1 s THR 110 Ca 0.35 -0.91 -0.20 0.00 -1.21 0.00 0.00 61.69 59.72 3dj1 s THR 110 Cb 0.08 -0.79 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 3dj1 s THR 110 CO 0.13 -0.50 0.47 0.00 -2.21 0.00 0.00 174.62 172.51 3dj1 s ARG 111 N -2.29 0.95 0.24 7.08 1.70 -1.26 -1.37 118.95 124.00 3dj1 s ARG 111 Ca -0.07 -0.25 -0.06 0.00 -0.47 0.00 0.00 55.73 54.88 3dj1 s ARG 111 Cb -0.03 0.43 0.35 0.00 -0.57 0.00 0.00 34.95 35.14 3dj1 s ARG 111 CO -0.03 -0.33 1.81 0.37 -1.08 0.00 0.00 175.30 176.05 3dj1 h GLN 112 N 3.00 0.76 -0.09 3.89 4.15 -1.96 -2.53 115.11 122.34 3dj1 h GLN 112 Ca -0.31 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.09 3dj1 h GLN 112 Cb 1.20 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 3dj1 h GLN 112 CO 0.42 0.50 0.14 0.66 -1.93 0.00 0.00 178.83 178.62 3dj1 h SER 113 N 0.78 0.00 0.61 -0.69 4.64 -2.01 -0.04 113.55 116.84 3dj1 h SER 113 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3dj1 h SER 113 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dj1 h SER 113 CO -0.22 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.65 3dj1 h LEU 114 N 0.00 0.00 -2.39 5.97 3.38 -1.82 -1.89 115.31 118.56 3dj1 h LEU 114 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dj1 h LEU 114 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dj1 h LEU 114 CO -0.00 0.02 0.01 1.56 0.09 0.00 0.00 178.44 180.12 3dj1 h GLN 115 N 0.00 0.00 0.00 1.13 4.20 -1.16 -0.92 115.11 118.35 3dj1 h GLN 115 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3dj1 h GLN 115 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3dj1 h GLN 115 CO 0.00 0.00 -0.28 0.87 -0.67 0.00 0.00 178.83 178.75 3dj1 h LYS 116 N 0.00 0.00 -0.47 1.46 1.57 -1.52 -2.90 116.57 114.71 3dj1 h LYS 116 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3dj1 h LYS 116 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3dj1 h LYS 116 CO -0.00 0.28 -0.12 0.00 -0.57 0.00 0.00 179.45 179.04 3dj1 h ALA 117 N 1.72 0.65 -0.40 3.86 0.00 -1.33 -1.24 119.26 122.51 3dj1 h ALA 117 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3dj1 h ALA 117 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3dj1 h ALA 117 CO 0.04 0.55 0.21 0.28 0.00 0.00 0.00 179.25 180.33 3dj1 h VAL 118 N 0.75 1.16 -0.53 0.00 2.07 -1.59 -0.65 116.25 117.46 3dj1 h VAL 118 Ca 0.12 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3dj1 h VAL 118 Cb 0.67 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3dj1 h VAL 118 CO 0.05 0.17 0.28 1.56 0.02 0.00 0.00 177.57 179.64 3dj1 h GLN 119 N 0.51 0.52 -0.31 1.57 4.20 -1.32 -1.96 115.11 118.32 3dj1 h GLN 119 Ca 0.14 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3dj1 h GLN 119 Cb 0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3dj1 h GLN 119 CO -0.02 0.34 -0.01 1.96 -0.67 0.00 0.00 178.83 180.44 3dj1 h GLN 120 N 0.54 0.48 0.00 1.46 4.20 -0.80 -1.75 115.11 119.24 3dj1 h GLN 120 Ca 0.23 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3dj1 h GLN 120 Cb 0.12 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3dj1 h GLN 120 CO -0.15 0.52 -0.07 0.66 -0.67 0.00 0.00 178.83 179.11 3dj1 h SER 121 N 0.47 0.00 -0.34 1.46 4.64 -0.34 -2.34 113.55 117.09 3dj1 h SER 121 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3dj1 h SER 121 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3dj1 h SER 121 CO 0.01 0.07 0.00 0.23 -0.87 0.00 0.00 176.83 176.27 3dj1 n MET 122 N -3.48 2.10 0.00 4.77 2.81 -0.66 -5.10 117.12 117.55 3dj1 n MET 122 Ca -0.02 -1.67 0.07 0.00 -1.81 0.00 0.00 57.70 54.28 3dj1 n MET 122 Cb 0.21 -1.43 0.06 0.00 -0.71 0.00 0.00 33.22 31.35 3dj1 n MET 122 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76