#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4d s HIS 8 N 0.00 0.16 0.25 -1.77 -3.43 -1.26 -5.14 115.29 104.10 3d4d s HIS 8 Ca 0.00 0.09 -0.30 0.00 -0.80 0.00 0.00 55.06 54.05 3d4d s HIS 8 Cb 0.00 -0.36 -0.09 0.00 -1.43 0.00 0.00 32.58 30.70 3d4d s HIS 8 CO 0.00 -0.13 1.14 0.15 -2.00 0.00 0.00 174.74 173.90 3d4d s LYS 9 N 1.27 4.58 0.10 -0.38 1.02 -1.26 -4.60 119.74 120.46 3d4d s LYS 9 Ca -0.06 1.85 0.08 0.00 0.02 0.00 0.00 55.97 57.86 3d4d s LYS 9 Cb -0.13 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3d4d s LYS 9 CO -0.03 0.09 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.07 3d4d s GLU 10 N -1.08 1.16 0.53 1.68 2.02 0.83 -4.93 118.70 118.91 3d4d s GLU 10 Ca 0.47 -1.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 3d4d s GLU 10 Cb -0.33 -1.42 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 3d4d s GLU 10 CO 0.40 0.33 1.38 -1.25 0.02 0.00 0.00 175.26 176.15 3d4d s PRO 11 N -1.86 3.24 0.10 0.39 0.04 -1.26 -0.78 135.00 134.88 3d4d s PRO 11 Ca 0.07 2.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 3d4d s PRO 11 Cb -0.10 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.14 3d4d s PRO 11 CO 0.04 -1.13 0.43 0.00 0.04 0.00 0.00 177.00 176.37 3d4d s ALA 12 N -1.27 -1.02 -0.04 8.56 0.00 -0.99 -4.62 121.76 122.38 3d4d s ALA 12 Ca 0.69 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.79 3d4d s ALA 12 Cb -0.42 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3d4d s ALA 12 CO 0.50 -0.60 -0.11 0.95 0.00 0.00 0.00 175.76 176.50 3d4d s THR 13 N -3.42 0.97 0.24 0.00 -4.23 -0.97 -3.80 115.64 104.43 3d4d s THR 13 Ca 0.00 -0.45 -0.31 0.00 -1.18 0.00 0.00 61.69 59.76 3d4d s THR 13 Cb 0.01 -0.86 -0.12 0.00 1.34 0.00 0.00 72.50 72.86 3d4d s THR 13 CO -0.09 0.30 1.63 -0.11 -0.54 0.00 0.00 174.62 175.81 3d4d n LEU 14 N 3.38 4.00 -0.11 4.79 7.94 -1.26 -0.07 117.00 135.68 3d4d n LEU 14 Ca -0.19 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.65 3d4d n LEU 14 Cb 0.53 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.87 3d4d n LEU 14 CO 0.25 0.07 -0.90 -0.38 -1.11 0.00 0.00 177.39 175.32 3d4d n ILE 15 N 2.96 1.51 -3.66 1.96 5.41 0.14 -4.78 119.36 122.91 3d4d n ILE 15 Ca 0.13 -0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.79 3d4d n ILE 15 Cb 0.35 -2.19 -0.07 0.00 -0.71 0.00 0.00 39.64 37.01 3d4d n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3d4d s LYS 16 N -2.72 0.53 0.37 0.38 2.20 -0.22 -5.01 119.74 115.26 3d4d s LYS 16 Ca -0.31 1.19 -0.28 0.00 -0.36 0.00 0.00 55.97 56.22 3d4d s LYS 16 Cb 0.07 0.41 -0.10 0.00 -1.51 0.00 0.00 37.83 36.71 3d4d s LYS 16 CO 0.44 -0.19 1.33 0.00 -0.36 0.00 0.00 175.35 176.57 3d4d s ALA 17 N 2.26 3.42 0.00 3.13 0.00 -1.26 0.12 121.76 129.42 3d4d s ALA 17 Ca -0.07 1.29 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 3d4d s ALA 17 Cb -0.10 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3d4d s ALA 17 CO -0.17 -0.77 -0.08 -0.89 0.00 0.00 0.00 175.76 173.85 3d4d n ILE 18 N 0.49 0.97 -2.96 0.00 5.41 -0.99 -4.85 119.36 117.42 3d4d n ILE 18 Ca 0.02 0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.97 3d4d n ILE 18 Cb 0.42 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 3d4d n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3d4d n ASP 19 N -3.57 0.00 -0.34 4.38 5.75 -0.72 -5.00 116.55 117.05 3d4d n ASP 19 Ca -0.06 -0.90 0.11 0.00 -0.01 0.00 0.00 54.79 53.93 3d4d n ASP 19 Cb 0.28 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.59 3d4d n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3d4d h GLY 20 N 0.00 1.02 -0.01 6.12 0.00 -1.82 -3.10 103.07 105.28 3d4d h GLY 20 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3d4d h GLY 20 CO 0.00 -0.45 -0.01 2.09 0.00 0.00 0.00 176.54 178.17 3d4d n ASP 21 N -5.54 1.65 -4.14 0.19 5.68 -1.26 -4.73 116.55 108.40 3d4d n ASP 21 Ca 0.20 -1.88 -0.26 0.00 -0.50 0.00 0.00 54.79 52.35 3d4d n ASP 21 Cb 0.65 -0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 40.44 3d4d n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3d4d s THR 22 N -0.91 1.41 0.00 2.12 -4.23 -1.17 -1.23 115.64 111.63 3d4d s THR 22 Ca 0.02 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.80 3d4d s THR 22 Cb 0.01 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.65 3d4d s THR 22 CO 0.00 0.40 0.01 0.54 -0.54 0.00 0.00 174.62 175.04 3d4d s VAL 23 N -0.05 0.04 -0.28 2.29 0.11 -0.67 -1.76 120.40 120.08 3d4d s VAL 23 Ca -0.02 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.56 3d4d s VAL 23 Cb -0.10 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3d4d s VAL 23 CO 0.02 -0.19 0.32 -0.75 -3.33 0.00 0.00 175.10 171.17 3d4d s LYS 24 N -0.55 3.95 0.18 1.54 2.20 0.12 -0.31 119.74 126.87 3d4d s LYS 24 Ca -0.06 -0.11 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 3d4d s LYS 24 Cb -0.04 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3d4d s LYS 24 CO -0.00 -0.27 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.05 3d4d s LEU 25 N 1.98 2.51 -0.35 5.43 1.43 -0.40 0.28 118.68 129.56 3d4d s LEU 25 Ca 0.12 -0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 52.06 3d4d s LEU 25 Cb -0.16 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.39 3d4d s LEU 25 CO 0.10 -0.14 0.67 -0.32 0.23 0.00 0.00 176.35 176.89 3d4d s MET 26 N -3.34 3.72 -0.10 1.70 -2.45 0.90 -0.84 119.30 118.89 3d4d s MET 26 Ca 0.19 0.14 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 3d4d s MET 26 Cb -0.02 -3.80 0.01 0.00 1.25 0.00 0.00 34.83 32.27 3d4d s MET 26 CO 0.06 -0.74 -0.18 -0.47 1.05 0.00 0.00 175.02 174.75 3d4d s TYR 27 N 2.77 2.08 -1.34 4.11 5.04 -0.03 -2.30 117.35 127.68 3d4d s TYR 27 Ca 0.26 -0.90 -0.08 0.00 -2.44 0.00 0.00 57.07 53.90 3d4d s TYR 27 Cb -0.14 -1.45 0.06 0.00 0.35 0.00 0.00 41.96 40.77 3d4d s TYR 27 CO 0.15 -0.42 0.51 1.63 -1.34 0.00 0.00 175.55 176.07 3d4d n LYS 28 N 3.90 -3.70 -1.02 4.97 5.02 -1.26 -1.31 118.16 124.76 3d4d n LYS 28 Ca -0.20 0.56 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 3d4d n LYS 28 Cb 0.52 -5.30 -0.00 0.00 -0.02 0.00 0.00 35.03 30.22 3d4d n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4d n GLY 29 N -1.24 0.44 3.27 0.72 0.00 -1.26 -5.03 105.19 102.09 3d4d n GLY 29 Ca -0.04 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3d4d n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d4d s GLN 30 N -0.75 1.85 0.23 1.61 -1.52 -0.42 -5.08 119.66 115.58 3d4d s GLN 30 Ca 0.00 -0.88 -0.31 0.00 -1.95 0.00 0.00 55.36 52.23 3d4d s GLN 30 Cb 0.00 -1.83 -0.10 0.00 -0.22 0.00 0.00 33.01 30.86 3d4d s GLN 30 CO 0.00 0.50 1.52 -1.25 -0.25 0.00 0.00 175.29 175.81 3d4d s PRO 31 N -0.67 4.21 -0.16 2.91 0.04 -1.26 -0.85 135.00 139.22 3d4d s PRO 31 Ca 0.09 2.39 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 3d4d s PRO 31 Cb -0.09 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.40 3d4d s PRO 31 CO -0.00 -0.54 0.41 1.41 0.04 0.00 0.00 177.00 178.32 3d4d s MET 32 N 0.10 0.42 0.05 4.56 1.75 -0.02 -4.93 119.30 121.23 3d4d s MET 32 Ca 0.64 0.72 -0.29 0.00 -1.25 0.00 0.00 55.69 55.50 3d4d s MET 32 Cb -0.44 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.24 3d4d s MET 32 CO 0.40 -0.13 0.95 0.99 -0.65 0.00 0.00 175.02 176.59 3d4d s THR 33 N 1.02 4.69 -0.17 10.11 2.01 -1.26 -1.28 115.64 130.76 3d4d s THR 33 Ca -0.06 2.02 -0.03 0.00 0.31 0.00 0.00 61.69 63.92 3d4d s THR 33 Cb -0.07 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 3d4d s THR 33 CO -0.08 0.25 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.68 3d4d s PHE 34 N 0.46 2.95 -0.23 4.92 0.40 0.58 -0.95 117.98 126.11 3d4d s PHE 34 Ca 0.48 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 3d4d s PHE 34 Cb -0.22 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 3d4d s PHE 34 CO 0.28 -0.26 0.25 0.50 0.70 0.00 0.00 175.22 176.69 3d4d s ARG 35 N 0.78 4.10 0.14 0.44 6.06 0.17 -1.67 118.95 128.96 3d4d s ARG 35 Ca -0.02 -0.11 -0.31 0.00 -2.50 0.00 0.00 55.73 52.79 3d4d s ARG 35 Cb -0.15 -3.55 -0.09 0.00 0.06 0.00 0.00 34.95 31.22 3d4d s ARG 35 CO 0.02 0.00 1.52 -0.51 -2.50 0.00 0.00 175.30 173.83 3d4d s LEU 36 N 1.21 4.37 0.28 -0.88 1.02 -0.36 -2.86 118.68 121.46 3d4d s LEU 36 Ca 0.11 2.51 -0.30 0.00 0.02 0.00 0.00 54.13 56.48 3d4d s LEU 36 Cb -0.14 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.38 3d4d s LEU 36 CO 0.06 -0.78 1.46 -0.76 0.02 0.00 0.00 176.35 176.36 3d4d s LEU 37 N 1.28 4.37 -0.11 1.79 1.43 -0.47 -4.15 118.68 122.82 3d4d s LEU 37 Ca 0.69 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.57 3d4d s LEU 37 Cb -0.41 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.17 3d4d s LEU 37 CO 0.31 -0.75 0.00 0.18 0.23 0.00 0.00 176.35 176.32 3d4d n LEU 38 N 1.87 -0.08 -3.87 1.79 4.77 -1.26 -4.93 117.00 115.30 3d4d n LEU 38 Ca 0.05 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 3d4d n LEU 38 Cb 0.40 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3d4d n LEU 38 CO 0.61 -0.06 -0.10 0.68 -1.33 0.00 0.00 177.39 177.19 3d4d s VAL 39 N -2.04 0.14 -0.21 4.08 -7.23 -1.17 -2.44 120.40 111.54 3d4d s VAL 39 Ca 0.00 -1.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 3d4d s VAL 39 Cb 0.00 -1.37 0.09 0.00 0.56 0.00 0.00 36.38 35.66 3d4d s VAL 39 CO 0.00 -0.65 0.18 -0.62 -0.31 0.00 0.00 175.10 173.71 3d4d s ASP 40 N -2.87 1.81 0.31 4.85 2.15 0.41 -4.68 116.67 118.65 3d4d s ASP 40 Ca 0.06 -0.44 -0.13 0.00 0.43 0.00 0.00 52.55 52.47 3d4d s ASP 40 Cb 0.05 0.17 -0.08 0.00 -0.30 0.00 0.00 42.92 42.76 3d4d s ASP 40 CO -0.10 -0.35 0.69 0.42 -0.17 0.00 0.00 175.17 175.66 3d4d s THR 41 N 2.26 4.77 0.72 1.71 -4.23 -1.26 -1.25 115.64 118.35 3d4d s THR 41 Ca 0.06 0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3d4d s THR 41 Cb -0.16 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 3d4d s THR 41 CO -0.14 -0.21 0.81 -2.65 -0.54 0.00 0.00 174.62 171.88 3d4d n PRO 42 N -0.47 0.43 -2.36 3.99 -0.02 -1.26 -4.93 135.00 130.37 3d4d n PRO 42 Ca 0.02 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 3d4d n PRO 42 Cb 0.53 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3d4d n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3d4d s GLU 43 N -3.11 3.54 0.38 -0.52 0.41 -1.26 -4.59 118.70 113.55 3d4d s GLU 43 Ca 0.70 1.45 0.18 0.00 -0.41 0.00 0.00 54.97 56.89 3d4d s GLU 43 Cb -0.35 -2.05 1.09 0.00 -1.78 0.00 0.00 34.13 31.05 3d4d s GLU 43 CO 0.53 -0.66 1.74 0.35 -0.49 0.00 0.00 175.26 176.73 3d4d h PHE 50 N 1.27 0.73 0.00 1.61 3.57 -1.94 0.26 116.94 122.44 3d4d h PHE 50 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3d4d h PHE 50 Cb 1.24 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3d4d h PHE 50 CO 0.55 0.02 0.00 -2.95 -2.23 0.00 0.00 178.31 173.70 3d4d h ASN 51 N 0.40 0.00 -3.45 0.41 -0.00 -1.92 -3.30 115.58 107.72 3d4d h ASN 51 Ca 0.63 0.00 -0.48 0.00 -0.00 0.00 0.00 56.30 56.46 3d4d h ASN 51 Cb 1.56 0.00 0.04 0.00 -0.00 0.00 0.00 38.32 39.93 3d4d h ASN 51 CO -0.36 0.00 0.10 -1.61 -0.00 0.00 0.00 177.43 175.56 3d4d s GLU 52 N -3.51 3.17 0.30 4.14 2.02 0.93 -5.01 118.70 120.74 3d4d s GLU 52 Ca 0.03 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 3d4d s GLU 52 Cb 0.09 -2.36 -0.10 0.00 0.10 0.00 0.00 34.13 31.85 3d4d s GLU 52 CO 0.53 -0.44 1.42 0.21 0.02 0.00 0.00 175.26 177.00 3d4d s LYS 53 N -4.82 4.25 0.00 1.61 2.20 -1.26 -1.56 119.74 120.17 3d4d s LYS 53 Ca 0.50 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 3d4d s LYS 53 Cb -0.10 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3d4d s LYS 53 CO 0.44 -0.39 0.00 0.66 -0.36 0.00 0.00 175.35 175.70 3d4d n TYR 54 N 1.52 0.00 -0.03 4.03 4.01 -1.26 -4.81 117.16 120.62 3d4d n TYR 54 Ca 0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 3d4d n TYR 54 Cb 0.40 -0.69 -0.10 0.00 -0.31 0.00 0.00 39.34 38.65 3d4d n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3d4d h GLY 55 N 0.00 0.16 1.65 2.72 0.00 -1.44 -1.05 103.07 105.10 3d4d h GLY 55 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3d4d h GLY 55 CO 0.00 0.18 0.14 -2.55 0.00 0.00 0.00 176.54 174.31 3d4d h PRO 56 N -0.42 0.46 -0.09 4.80 0.11 -1.74 -2.41 132.00 132.71 3d4d h PRO 56 Ca -0.00 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.82 3d4d h PRO 56 Cb 0.75 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.78 3d4d h PRO 56 CO 0.03 0.38 -0.84 0.93 -0.21 0.00 0.00 178.00 178.28 3d4d h GLU 57 N 0.46 0.73 -0.19 1.05 3.07 -1.93 -1.22 114.58 116.55 3d4d h GLU 57 Ca 0.12 -0.67 0.01 0.00 -0.50 0.00 0.00 59.36 58.32 3d4d h GLU 57 Cb 0.09 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3d4d h GLU 57 CO -0.01 1.26 0.11 0.00 -1.40 0.00 0.00 179.01 178.97 3d4d h ALA 58 N 0.48 0.24 -0.74 3.43 0.00 -1.17 -0.54 119.26 120.96 3d4d h ALA 58 Ca -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d4d h ALA 58 Cb 1.49 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3d4d h ALA 58 CO 0.17 -0.30 0.47 0.77 0.00 0.00 0.00 179.25 180.36 3d4d h SER 59 N 0.24 0.77 0.52 0.00 0.02 -1.34 -1.52 113.55 112.24 3d4d h SER 59 Ca 0.07 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3d4d h SER 59 Cb -0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3d4d h SER 59 CO -0.03 0.53 -0.38 0.00 -1.14 0.00 0.00 176.83 175.81 3d4d h ALA 60 N 1.31 1.22 0.13 3.77 0.00 -1.06 -2.52 119.26 122.11 3d4d h ALA 60 Ca 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d4d h ALA 60 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3d4d h ALA 60 CO -0.11 0.48 -0.06 0.35 0.00 0.00 0.00 179.25 179.91 3d4d h PHE 61 N 0.00 -0.16 -0.76 0.00 3.57 -0.11 -2.40 116.94 117.08 3d4d h PHE 61 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3d4d h PHE 61 Cb 0.75 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3d4d h PHE 61 CO 0.00 0.30 0.40 1.15 -2.23 0.00 0.00 178.31 177.93 3d4d h THR 62 N -0.71 1.23 -0.19 4.41 2.02 -1.43 -1.90 112.91 116.34 3d4d h THR 62 Ca -0.02 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 3d4d h THR 62 Cb 0.53 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3d4d h THR 62 CO 0.03 0.26 -0.27 0.50 0.37 0.00 0.00 175.52 176.41 3d4d h LYS 63 N 1.06 0.51 0.09 6.66 3.64 -1.50 0.62 116.57 127.64 3d4d h LYS 63 Ca 0.27 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3d4d h LYS 63 Cb 0.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3d4d h LYS 63 CO -0.04 0.90 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.74 3d4d h LYS 64 N 0.17 -0.17 -0.29 1.90 3.64 -1.37 0.30 116.57 120.75 3d4d h LYS 64 Ca 0.02 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3d4d h LYS 64 Cb 0.84 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 3d4d h LYS 64 CO 0.06 -0.12 -0.21 1.98 -2.27 0.00 0.00 179.45 178.89 3d4d h MET 65 N -0.18 -0.19 0.01 1.90 4.05 -1.13 0.13 114.93 119.52 3d4d h MET 65 Ca 0.00 0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 59.22 3d4d h MET 65 Cb 0.17 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3d4d h MET 65 CO -0.02 -0.12 -0.93 -0.39 0.23 0.00 0.00 176.91 175.68 3d4d h VAL 66 N -0.19 1.49 -0.27 -5.77 -1.51 -0.79 -3.03 116.25 106.18 3d4d h VAL 66 Ca 0.15 -2.66 -0.17 0.00 -1.23 0.00 0.00 66.70 62.79 3d4d h VAL 66 Cb 0.43 2.52 -0.00 0.00 -2.13 0.00 0.00 31.29 32.10 3d4d h VAL 66 CO -0.40 0.78 -0.52 -0.33 -1.23 0.00 0.00 177.57 175.87 3d4d h GLU 67 N 0.12 0.77 0.00 5.19 5.08 -0.79 -3.28 114.58 121.67 3d4d h GLU 67 Ca -0.06 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3d4d h GLU 67 Cb 1.57 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3d4d h GLU 67 CO 0.15 1.10 0.00 -0.91 -1.00 0.00 0.00 179.01 178.34 3d4d h ASN 68 N 0.60 0.00 -3.41 1.42 -0.26 -1.03 -3.46 115.58 109.43 3d4d h ASN 68 Ca 0.02 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.24 3d4d h ASN 68 Cb 1.10 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.39 3d4d h ASN 68 CO 0.11 0.00 0.65 0.00 -1.06 0.00 0.00 177.43 177.13 3d4d s ALA 69 N -3.19 3.52 0.02 -0.83 0.00 -1.14 -4.96 121.76 115.18 3d4d s ALA 69 Ca 0.08 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 3d4d s ALA 69 Cb 0.08 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 3d4d s ALA 69 CO 0.64 -0.54 1.39 -0.22 0.00 0.00 0.00 175.76 177.03 3d4d h LYS 70 N 5.25 -0.12 -4.97 0.00 3.64 -1.90 -3.45 116.57 115.01 3d4d h LYS 70 Ca -0.45 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.37 3d4d h LYS 70 Cb 1.21 0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.74 3d4d h LYS 70 CO 0.76 0.19 -0.84 -1.59 -2.27 0.00 0.00 179.45 175.70 3d4d s LYS 71 N -4.91 2.04 -0.11 1.90 -2.85 -1.26 -5.03 119.74 109.52 3d4d s LYS 71 Ca -0.15 -0.58 -0.06 0.00 -1.00 0.00 0.00 55.97 54.18 3d4d s LYS 71 Cb 0.03 -1.66 -0.04 0.00 -2.06 0.00 0.00 37.83 34.10 3d4d s LYS 71 CO 0.63 0.13 0.13 0.42 0.10 0.00 0.00 175.35 176.76 3d4d s ILE 72 N 0.39 5.36 0.10 3.79 -1.09 -1.25 -1.55 121.20 126.95 3d4d s ILE 72 Ca -0.12 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 3d4d s ILE 72 Cb -0.15 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3d4d s ILE 72 CO 0.04 0.59 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.64 3d4d s GLU 73 N -1.09 0.85 0.01 2.79 2.02 -0.80 -2.35 118.70 120.13 3d4d s GLU 73 Ca 0.16 -1.15 0.07 0.00 0.02 0.00 0.00 54.97 54.07 3d4d s GLU 73 Cb -0.12 -0.55 -0.02 0.00 0.10 0.00 0.00 34.13 33.54 3d4d s GLU 73 CO 0.05 0.09 -0.22 0.08 0.02 0.00 0.00 175.26 175.27 3d4d s VAL 74 N -2.39 1.78 -0.15 2.63 1.01 0.04 -0.90 120.40 122.42 3d4d s VAL 74 Ca 0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3d4d s VAL 74 Cb -0.03 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.90 3d4d s VAL 74 CO 0.00 0.38 0.06 -0.70 0.00 0.00 0.00 175.10 174.84 3d4d s GLU 75 N -0.83 0.33 0.24 2.72 2.12 0.34 -0.12 118.70 123.50 3d4d s GLU 75 Ca 0.09 -0.13 -0.27 0.00 0.36 0.00 0.00 54.97 55.02 3d4d s GLU 75 Cb -0.09 -1.67 -0.09 0.00 0.26 0.00 0.00 34.13 32.54 3d4d s GLU 75 CO 0.00 -0.57 0.88 -0.06 -0.54 0.00 0.00 175.26 174.98 3d4d s PHE 76 N 2.02 3.87 0.00 5.30 0.40 -1.26 -0.33 117.98 127.98 3d4d s PHE 76 Ca 0.02 1.78 0.00 0.00 -0.60 0.00 0.00 56.93 58.12 3d4d s PHE 76 Cb -0.15 -2.89 0.00 0.00 0.51 0.00 0.00 43.02 40.49 3d4d s PHE 76 CO -0.07 0.41 0.00 -3.47 0.70 0.00 0.00 175.22 172.78 3d4d n ASP 77 N 1.24 0.00 0.10 1.36 -0.08 -1.26 -4.77 116.55 113.14 3d4d n ASP 77 Ca -0.02 -0.41 0.12 0.00 -1.51 0.00 0.00 54.79 52.97 3d4d n ASP 77 Cb 0.48 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.15 3d4d n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3d4d h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.72 -3.46 116.57 112.29 3d4d h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d4d h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d4d h LYS 78 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3d4d n GLY 79 N 1.27 1.52 3.76 3.86 0.00 0.00 -4.88 105.19 110.72 3d4d n GLY 79 Ca 0.03 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 3d4d n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d4d s GLN 80 N 2.94 4.78 0.03 1.61 -2.07 -1.26 -4.93 119.66 120.75 3d4d s GLN 80 Ca 0.00 1.51 0.21 0.00 -1.82 0.00 0.00 55.36 55.27 3d4d s GLN 80 Cb 0.00 -3.18 -0.22 0.00 -1.09 0.00 0.00 33.01 28.51 3d4d s GLN 80 CO 0.00 0.43 0.62 0.54 -1.32 0.00 0.00 175.29 175.56 3d4d n ARG 81 N 1.28 0.64 -4.47 9.60 1.74 -1.26 -4.71 116.66 119.49 3d4d n ARG 81 Ca -0.01 -0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.80 3d4d n ARG 81 Cb 0.47 -1.63 -0.14 0.00 -1.02 0.00 0.00 32.46 30.14 3d4d n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d4d s THR 82 N -3.33 1.06 0.10 0.55 -4.23 -1.26 -0.27 115.64 108.26 3d4d s THR 82 Ca -0.06 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 3d4d s THR 82 Cb 0.12 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 73.05 3d4d s THR 82 CO 0.86 0.14 0.13 -0.90 -0.54 0.00 0.00 174.62 174.32 3d4d n ASP 83 N 2.32 0.12 0.09 3.99 5.68 0.50 -4.90 116.55 124.34 3d4d n ASP 83 Ca -0.16 -1.11 0.12 0.00 -0.50 0.00 0.00 54.79 53.14 3d4d n ASP 83 Cb 0.55 -0.09 0.46 0.00 -1.14 0.00 0.00 41.12 40.89 3d4d n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3d4d n LYS 84 N -1.26 0.18 -0.01 0.11 2.85 -1.26 -1.91 118.16 116.85 3d4d n LYS 84 Ca 0.02 0.25 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 3d4d n LYS 84 Cb 0.07 -1.75 0.38 0.00 -0.65 0.00 0.00 35.03 33.09 3d4d n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3d4d n TYR 85 N -2.07 0.02 -0.67 5.58 4.02 -1.26 -4.95 117.16 117.83 3d4d n TYR 85 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3d4d n TYR 85 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3d4d n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d4d n GLY 86 N 1.23 0.83 3.73 2.72 0.00 -0.81 -5.03 105.19 107.87 3d4d n GLY 86 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3d4d n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4d s ARG 87 N -0.33 4.52 0.38 1.61 0.52 -1.26 -4.72 118.95 119.67 3d4d s ARG 87 Ca 0.00 1.78 -0.27 0.00 -0.52 0.00 0.00 55.73 56.72 3d4d s ARG 87 Cb 0.00 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.10 3d4d s ARG 87 CO 0.00 -0.05 1.35 0.20 0.02 0.00 0.00 175.30 176.82 3d4d s GLY 88 N 0.21 2.96 -0.38 -3.53 0.00 -0.13 -0.37 107.32 106.07 3d4d s GLY 88 Ca 0.52 1.32 -0.06 0.00 0.00 0.00 0.00 44.72 46.51 3d4d s GLY 88 CO 0.34 1.95 0.18 1.08 0.00 0.00 0.00 173.10 176.65 3d4d s LEU 89 N -2.16 4.83 0.16 0.66 1.43 0.62 0.44 118.68 124.66 3d4d s LEU 89 Ca 0.53 -1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.05 3d4d s LEU 89 Cb -0.41 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3d4d s LEU 89 CO 0.54 -0.46 0.20 0.00 0.23 0.00 0.00 176.35 176.86 3d4d s ALA 90 N 1.32 0.39 0.07 4.21 0.00 -1.14 -4.37 121.76 122.25 3d4d s ALA 90 Ca 0.02 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 3d4d s ALA 90 Cb -0.22 0.92 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 3d4d s ALA 90 CO 0.00 -0.59 0.74 -1.21 0.00 0.00 0.00 175.76 174.69 3d4d s GLU 91 N -4.01 4.47 -0.15 0.00 8.01 0.54 -1.37 118.70 126.20 3d4d s GLU 91 Ca 0.22 1.03 -0.02 0.00 0.01 0.00 0.00 54.97 56.21 3d4d s GLU 91 Cb 0.05 -3.33 -0.02 0.00 -4.31 0.00 0.00 34.13 26.52 3d4d s GLU 91 CO 0.02 0.38 -0.09 0.42 0.01 0.00 0.00 175.26 175.99 3d4d s ILE 92 N -0.38 3.34 -0.09 -1.63 1.09 -1.26 -0.50 121.20 121.77 3d4d s ILE 92 Ca 0.36 -0.55 -0.00 0.00 -1.10 0.00 0.00 60.65 59.36 3d4d s ILE 92 Cb -0.21 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 3d4d s ILE 92 CO 0.23 0.51 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.20 3d4d s TYR 93 N 0.45 2.95 -0.33 3.97 2.02 -0.08 -0.72 117.35 125.61 3d4d s TYR 93 Ca -0.07 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3d4d s TYR 93 Cb -0.15 -1.76 0.08 0.00 -0.40 0.00 0.00 41.96 39.73 3d4d s TYR 93 CO 0.04 0.24 0.03 0.00 -1.57 0.00 0.00 175.55 174.30 3d4d s ALA 94 N -0.55 2.85 -1.25 3.71 0.00 0.46 -1.91 121.76 125.07 3d4d s ALA 94 Ca 0.08 -2.18 -0.28 0.00 0.00 0.00 0.00 51.96 49.58 3d4d s ALA 94 Cb -0.12 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.08 3d4d s ALA 94 CO 0.02 -1.50 0.61 -0.25 0.00 0.00 0.00 175.76 174.63 3d4d n ASP 95 N 4.44 -3.54 0.00 0.00 8.00 -0.60 -2.35 116.55 122.52 3d4d n ASP 95 Ca -0.05 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3d4d n ASP 95 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 3d4d n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4d n GLY 96 N -2.11 2.73 3.71 0.44 0.00 -1.26 -5.01 105.19 103.68 3d4d n GLY 96 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3d4d n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4d s LYS 97 N -0.11 4.21 -0.18 1.61 1.02 -0.99 -5.03 119.74 120.27 3d4d s LYS 97 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 3d4d s LYS 97 Cb 0.00 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3d4d s LYS 97 CO 0.00 0.17 1.34 1.41 -0.92 0.00 0.00 175.35 177.35 3d4d s MET 98 N 0.69 4.13 0.21 1.68 1.75 -1.26 -0.40 119.30 126.10 3d4d s MET 98 Ca 0.14 1.64 -0.10 0.00 -1.25 0.00 0.00 55.69 56.13 3d4d s MET 98 Cb -0.13 -3.83 0.19 0.00 2.84 0.00 0.00 34.83 33.90 3d4d s MET 98 CO 0.04 -0.84 1.83 0.28 -0.65 0.00 0.00 175.02 175.68 3d4d h VAL 99 N 5.64 1.06 -0.19 10.11 2.07 -1.29 -1.52 116.25 132.12 3d4d h VAL 99 Ca -0.28 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3d4d h VAL 99 Cb 1.11 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3d4d h VAL 99 CO 0.98 0.14 -0.18 0.78 0.02 0.00 0.00 177.57 179.31 3d4d h ASN 100 N 0.79 -0.59 -0.43 0.57 4.21 -1.91 -1.83 115.58 116.40 3d4d h ASN 100 Ca 0.28 0.11 -0.12 0.00 1.21 0.00 0.00 56.30 57.78 3d4d h ASN 100 Cb 0.06 0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3d4d h ASN 100 CO -0.12 -0.23 -0.19 -0.08 -1.29 0.00 0.00 177.43 175.52 3d4d h GLU 101 N -0.20 0.93 -0.81 0.81 4.81 -1.87 -3.05 114.58 115.20 3d4d h GLU 101 Ca 0.12 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3d4d h GLU 101 Cb 0.38 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3d4d h GLU 101 CO -0.31 1.03 0.40 0.00 -0.73 0.00 0.00 179.01 179.40 3d4d h ALA 102 N 0.96 1.17 -0.35 2.92 0.00 -0.89 -0.63 119.26 122.45 3d4d h ALA 102 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d4d h ALA 102 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3d4d h ALA 102 CO 0.06 0.64 0.11 -0.07 0.00 0.00 0.00 179.25 179.98 3d4d h LEU 103 N 1.16 0.51 -0.58 0.00 3.38 -1.29 -2.55 115.31 115.94 3d4d h LEU 103 Ca 0.28 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3d4d h LEU 103 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3d4d h LEU 103 CO -0.04 0.58 -0.05 0.58 0.09 0.00 0.00 178.44 179.60 3d4d h VAL 104 N 0.41 1.27 0.00 1.22 2.07 -1.42 0.13 116.25 119.93 3d4d h VAL 104 Ca 0.11 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 3d4d h VAL 104 Cb 0.26 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3d4d h VAL 104 CO -0.00 0.44 -0.11 -0.09 0.02 0.00 0.00 177.57 177.83 3d4d h ARG 105 N 0.95 0.00 -0.31 1.57 9.65 -0.98 -2.43 114.38 122.83 3d4d h ARG 105 Ca 0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3d4d h ARG 105 Cb 0.62 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3d4d h ARG 105 CO 0.04 0.11 0.00 1.04 2.80 0.00 0.00 179.97 183.96 3d4d n GLN 106 N -3.84 2.43 -1.12 0.20 1.13 -0.97 -4.28 117.38 110.92 3d4d n GLN 106 Ca -0.02 -2.15 -0.04 0.00 -1.94 0.00 0.00 57.00 52.85 3d4d n GLN 106 Cb 0.20 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 3d4d n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d4d n GLY 107 N 1.46 0.71 1.06 1.08 0.00 -0.92 -4.36 105.19 104.23 3d4d n GLY 107 Ca 0.18 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.49 3d4d n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d4d n LEU 108 N -0.49 3.23 -3.71 0.99 4.77 0.42 -1.81 117.00 120.40 3d4d n LEU 108 Ca -0.04 -1.25 -0.14 0.00 -0.03 0.00 0.00 56.01 54.55 3d4d n LEU 108 Cb 0.14 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3d4d n LEU 108 CO 0.07 0.62 0.12 0.00 -1.33 0.00 0.00 177.39 176.87 3d4d s ALA 109 N -1.74 -1.07 0.14 -1.18 0.00 -1.09 -4.33 121.76 112.49 3d4d s ALA 109 Ca 0.34 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 3d4d s ALA 109 Cb 0.22 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 3d4d s ALA 109 CO 0.31 -0.25 0.41 0.15 0.00 0.00 0.00 175.76 176.39 3d4d s LYS 110 N -0.48 3.69 0.15 0.00 1.02 -0.38 -4.39 119.74 119.35 3d4d s LYS 110 Ca -0.06 0.04 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 3d4d s LYS 110 Cb -0.03 -2.85 -0.08 0.00 -0.52 0.00 0.00 37.83 34.34 3d4d s LYS 110 CO 0.03 0.46 1.37 0.08 -0.92 0.00 0.00 175.35 176.38 3d4d s VAL 111 N -1.62 3.21 0.14 3.17 1.01 -1.26 -0.45 120.40 124.60 3d4d s VAL 111 Ca 0.40 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 3d4d s VAL 111 Cb -0.12 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.74 3d4d s VAL 111 CO 0.22 0.10 0.73 0.00 0.00 0.00 0.00 175.10 176.15 3d4d s ALA 112 N 0.72 -1.60 -1.12 5.51 0.00 -1.02 -4.83 121.76 119.41 3d4d s ALA 112 Ca 0.62 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 3d4d s ALA 112 Cb -0.37 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3d4d s ALA 112 CO 0.34 -0.82 0.85 0.66 0.00 0.00 0.00 175.76 176.78 3d4d n TYR 113 N -0.37 -2.18 -3.08 0.00 4.02 -1.26 -3.04 117.16 111.24 3d4d n TYR 113 Ca -0.11 0.71 -0.43 0.00 -0.01 0.00 0.00 57.90 58.06 3d4d n TYR 113 Cb 0.63 -3.96 -0.06 0.00 -0.02 0.00 0.00 39.34 35.92 3d4d n TYR 113 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3d4d s VAL 114 N -3.45 4.78 0.23 -0.72 1.01 -1.26 -4.33 120.40 116.67 3d4d s VAL 114 Ca 0.38 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.44 3d4d s VAL 114 Cb -0.09 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3d4d s VAL 114 CO 0.79 -0.71 0.05 -0.31 0.00 0.00 0.00 175.10 174.92 3d4d s TYR 115 N 2.92 2.85 0.36 5.22 2.02 -1.26 -5.08 117.35 124.38 3d4d s TYR 115 Ca 0.22 -0.17 -0.28 0.00 -0.37 0.00 0.00 57.07 56.47 3d4d s TYR 115 Cb -0.15 -1.30 -0.11 0.00 -0.40 0.00 0.00 41.96 39.99 3d4d s TYR 115 CO 0.17 0.57 1.52 0.36 -1.57 0.00 0.00 175.55 176.60 3d4d n LYS 116 N -0.73 2.70 0.00 -0.62 2.85 -1.26 -2.40 118.16 118.71 3d4d n LYS 116 Ca -0.08 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.13 3d4d n LYS 116 Cb 0.57 -2.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 3d4d n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d4d n GLY 117 N 0.78 2.61 2.34 2.58 0.00 -1.26 -4.60 105.19 107.63 3d4d n GLY 117 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3d4d n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4d n ASN 118 N 0.79 6.94 -0.01 1.61 3.02 -1.01 -0.82 115.26 125.78 3d4d n ASN 118 Ca 0.00 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 3d4d n ASN 118 Cb 0.00 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 3d4d n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3d4d n ASN 119 N -0.81 0.99 -0.29 6.41 2.04 -1.24 -4.52 115.26 117.84 3d4d n ASN 119 Ca 0.57 -1.51 0.11 0.00 -0.44 0.00 0.00 54.58 53.31 3d4d n ASN 119 Cb 0.68 -0.01 0.26 0.00 -2.53 0.00 0.00 39.78 38.18 3d4d n ASN 119 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3d4d h THR 120 N 1.56 0.29 -0.52 5.53 2.02 -1.93 0.30 112.91 120.16 3d4d h THR 120 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3d4d h THR 120 Cb 0.76 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3d4d h THR 120 CO 0.00 0.03 0.00 1.41 0.37 0.00 0.00 175.52 177.33 3d4d n HIS 121 N -5.28 1.21 -0.04 3.16 8.25 -1.26 -4.51 115.22 116.75 3d4d n HIS 121 Ca 0.20 -0.48 -0.08 0.00 -0.26 0.00 0.00 57.72 57.10 3d4d n HIS 121 Cb 0.64 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 3d4d n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3d4d h GLU 122 N 3.27 -0.21 0.00 -0.41 4.81 -0.74 -2.40 114.58 118.89 3d4d h GLU 122 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3d4d h GLU 122 Cb 1.23 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3d4d h GLU 122 CO 0.20 -0.14 -0.58 1.96 -0.73 0.00 0.00 179.01 179.71 3d4d h GLN 123 N -0.22 0.00 -0.74 1.92 1.08 -1.79 -0.93 115.11 114.42 3d4d h GLN 123 Ca 0.13 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3d4d h GLN 123 Cb 0.42 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 3d4d h GLN 123 CO -0.35 0.58 0.46 1.25 -0.95 0.00 0.00 178.83 179.82 3d4d h LEU 124 N 0.00 0.88 -0.07 1.46 5.85 -1.82 -1.89 115.31 119.73 3d4d h LEU 124 Ca -0.01 -0.05 -0.25 0.00 0.84 0.00 0.00 57.88 58.41 3d4d h LEU 124 Cb 1.06 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.88 3d4d h LEU 124 CO 0.08 0.67 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.78 3d4d h LEU 125 N 1.01 0.80 -1.08 2.25 -0.00 -1.01 -2.87 115.31 114.41 3d4d h LEU 125 Ca 0.27 -0.63 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 3d4d h LEU 125 Cb -0.06 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.32 3d4d h LEU 125 CO -0.05 1.43 0.48 0.03 -0.00 0.00 0.00 178.44 180.33 3d4d h ARG 126 N 0.35 1.11 -0.37 1.13 3.08 -1.05 -1.12 114.38 117.52 3d4d h ARG 126 Ca -0.11 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 59.87 3d4d h ARG 126 Cb 1.64 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.42 3d4d h ARG 126 CO 0.19 0.79 0.14 -0.22 -1.07 0.00 0.00 179.97 179.81 3d4d h LYS 127 N 1.13 0.30 -0.84 0.04 1.63 -1.32 -0.22 116.57 117.28 3d4d h LYS 127 Ca 0.29 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.13 3d4d h LYS 127 Cb -0.02 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.48 3d4d h LYS 127 CO -0.05 0.20 0.53 0.00 -3.45 0.00 0.00 179.45 176.67 3d4d h ALA 128 N 1.23 1.14 -0.35 5.00 0.00 -1.24 -2.36 119.26 122.68 3d4d h ALA 128 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3d4d h ALA 128 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3d4d h ALA 128 CO -0.16 0.29 -0.17 1.49 0.00 0.00 0.00 179.25 180.71 3d4d h GLU 129 N 0.98 0.65 -0.52 0.00 4.81 -0.62 -1.41 114.58 118.47 3d4d h GLU 129 Ca 0.36 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3d4d h GLU 129 Cb 0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3d4d h GLU 129 CO -0.16 0.79 0.17 0.00 -0.73 0.00 0.00 179.01 179.08 3d4d h ALA 130 N 1.23 0.68 -0.39 2.92 0.00 -0.78 -1.57 119.26 121.34 3d4d h ALA 130 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3d4d h ALA 130 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3d4d h ALA 130 CO 0.04 0.33 0.07 1.96 0.00 0.00 0.00 179.25 181.65 3d4d h GLN 131 N 0.71 0.64 -0.56 0.00 1.08 -1.27 -0.22 115.11 115.49 3d4d h GLN 131 Ca 0.17 -0.17 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3d4d h GLN 131 Cb 0.26 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 3d4d h GLN 131 CO -0.01 0.69 0.30 0.00 -0.95 0.00 0.00 178.83 178.86 3d4d h ALA 132 N 0.93 0.73 -0.56 3.87 0.00 -1.22 -1.25 119.26 121.75 3d4d h ALA 132 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3d4d h ALA 132 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3d4d h ALA 132 CO 0.01 -0.03 0.21 -0.22 0.00 0.00 0.00 179.25 179.22 3d4d h LYS 133 N 0.57 0.84 0.00 0.00 3.64 -1.22 -1.26 116.57 119.14 3d4d h LYS 133 Ca 0.25 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3d4d h LYS 133 Cb 0.14 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3d4d h LYS 133 CO -0.16 0.74 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.43 3d4d h LYS 134 N 0.77 0.00 -0.50 1.90 3.64 -0.66 -2.12 116.57 119.60 3d4d h LYS 134 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3d4d h LYS 134 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3d4d h LYS 134 CO -0.01 0.10 0.00 0.39 -2.27 0.00 0.00 179.45 177.66 3d4d n GLU 135 N -4.23 2.52 -3.90 1.90 1.02 -0.51 -4.97 120.64 112.47 3d4d n GLU 135 Ca -0.03 -2.32 -0.27 0.00 -0.02 0.00 0.00 57.16 54.52 3d4d n GLU 135 Cb 0.18 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 3d4d n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d4d n LYS 136 N 1.46 -4.55 -3.19 3.49 4.76 -0.80 -4.93 118.16 114.41 3d4d n LYS 136 Ca 0.21 0.53 -0.39 0.00 -2.87 0.00 0.00 58.31 55.79 3d4d n LYS 136 Cb 0.59 -5.14 -0.06 0.00 -1.84 0.00 0.00 35.03 28.58 3d4d n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d4d s LEU 137 N -7.04 4.23 0.00 -0.35 1.43 -0.54 -3.39 118.68 113.02 3d4d s LEU 137 Ca 0.34 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3d4d s LEU 137 Cb -0.17 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.20 3d4d s LEU 137 CO 0.85 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.89 3d4d n ASN 138 N 4.26 0.00 0.21 2.29 5.03 -1.26 -1.13 115.26 124.66 3d4d n ASN 138 Ca -0.04 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.56 3d4d n ASN 138 Cb 0.51 0.00 0.77 0.00 -1.02 0.00 0.00 39.78 40.04 3d4d n ASN 138 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3d4d h ILE 139 N 0.00 0.69 -0.67 2.41 2.04 -1.68 -0.92 117.51 119.37 3d4d h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3d4d h ILE 139 Cb 0.00 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3d4d h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 3d4d n TRP 140 N -4.13 1.04 1.70 1.37 7.02 -0.29 -5.15 117.44 119.01 3d4d n TRP 140 Ca 0.00 -0.48 0.14 0.00 -1.02 0.00 0.00 57.50 56.14 3d4d n TRP 140 Cb 0.24 -0.06 0.81 0.00 -2.42 0.00 0.00 31.31 29.88 3d4d n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54