#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddv s SER 8 N 0.00 0.11 -0.11 -3.46 0.15 -1.26 -1.68 113.70 107.45 3ddv s SER 8 Ca 0.00 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 3ddv s SER 8 Cb 0.00 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 3ddv s SER 8 CO 0.00 -0.39 -0.02 -0.60 1.20 0.00 0.00 173.24 173.44 3ddv s ARG 9 N -1.68 0.95 -0.51 5.44 3.52 0.25 -5.00 118.95 121.92 3ddv s ARG 9 Ca -0.13 -0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.04 3ddv s ARG 9 Cb -0.07 -1.45 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 3ddv s ARG 9 CO -0.00 -0.37 1.45 0.99 -0.81 0.00 0.00 175.30 176.56 3ddv s THR 10 N 1.84 3.79 0.19 4.11 2.01 -1.26 -1.46 115.64 124.86 3ddv s THR 10 Ca 0.03 0.71 -0.03 0.00 0.31 0.00 0.00 61.69 62.72 3ddv s THR 10 Cb -0.13 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 3ddv s THR 10 CO -0.07 -1.00 1.50 0.58 -0.69 0.00 0.00 174.62 174.94 3ddv h VAL 11 N 6.45 1.32 -3.33 3.82 2.07 -1.60 -3.48 116.25 121.51 3ddv h VAL 11 Ca -0.27 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 3ddv h VAL 11 Cb 1.10 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.57 3ddv h VAL 11 CO 1.15 0.56 0.02 -0.94 0.02 0.00 0.00 177.57 178.38 3ddv s SER 12 N -6.92 -0.24 -0.30 0.57 1.04 -1.12 -4.97 113.70 101.76 3ddv s SER 12 Ca -0.07 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 3ddv s SER 12 Cb 0.11 0.58 0.18 0.00 0.10 0.00 0.00 66.02 67.00 3ddv s SER 12 CO 0.84 -1.07 0.92 -0.47 0.98 0.00 0.00 173.24 174.44 3ddv s TYR 13 N -3.89 -0.85 -0.03 5.02 5.04 -1.26 -1.66 117.35 119.72 3ddv s TYR 13 Ca 0.10 0.87 -0.30 0.00 -2.44 0.00 0.00 57.07 55.31 3ddv s TYR 13 Cb -0.01 0.29 0.11 0.00 0.35 0.00 0.00 41.96 42.69 3ddv s TYR 13 CO -0.01 -0.47 1.00 -0.59 -1.34 0.00 0.00 175.55 174.14 3ddv s PHE 14 N 2.93 -0.24 -0.01 4.97 -0.71 -0.65 -5.01 117.98 119.26 3ddv s PHE 14 Ca 0.06 0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.90 3ddv s PHE 14 Cb -0.11 0.55 -0.06 0.00 -1.21 0.00 0.00 43.02 42.19 3ddv s PHE 14 CO -0.15 -0.49 0.45 0.08 -1.34 0.00 0.00 175.22 173.77 3ddv s VAL 15 N -2.93 5.00 0.09 -2.49 1.01 -1.26 -0.67 120.40 119.15 3ddv s VAL 15 Ca 0.08 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 3ddv s VAL 15 Cb -0.01 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3ddv s VAL 15 CO -0.06 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.73 3ddv s ALA 16 N -0.80 -0.01 0.30 5.51 0.00 -0.64 -4.97 121.76 121.17 3ddv s ALA 16 Ca 0.25 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 3ddv s ALA 16 Cb -0.17 0.52 -0.09 0.00 0.00 0.00 0.00 23.12 23.38 3ddv s ALA 16 CO 0.14 -0.50 0.80 0.15 0.00 0.00 0.00 175.76 176.34 3ddv s LYS 17 N -3.90 4.21 0.50 0.00 1.02 -1.26 -1.06 119.74 119.25 3ddv s LYS 17 Ca 0.08 0.91 -0.20 0.00 0.02 0.00 0.00 55.97 56.78 3ddv s LYS 17 Cb 0.05 -2.61 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 3ddv s LYS 17 CO -0.09 0.23 1.04 -1.25 -0.92 0.00 0.00 175.35 174.36 3ddv s PRO 18 N -2.51 3.75 1.04 -1.68 0.04 -1.25 -4.88 135.00 129.50 3ddv s PRO 18 Ca 0.51 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 3ddv s PRO 18 Cb -0.14 -2.09 0.21 0.00 0.04 0.00 0.00 34.50 32.53 3ddv s PRO 18 CO 0.19 -0.47 1.14 -1.54 0.04 0.00 0.00 177.00 176.36 3ddv s SER 19 N -2.11 2.32 0.12 6.66 1.04 -1.26 -4.77 113.70 115.71 3ddv s SER 19 Ca 0.67 0.79 -0.21 0.00 0.48 0.00 0.00 55.95 57.68 3ddv s SER 19 Cb -0.16 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 3ddv s SER 19 CO 0.22 -3.27 1.70 0.28 0.98 0.00 0.00 173.24 173.15 3ddv h SER 20 N -2.00 -0.23 0.07 7.02 0.02 -1.99 0.22 113.55 116.67 3ddv h SER 20 Ca -0.49 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3ddv h SER 20 Cb 1.31 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 3ddv h SER 20 CO 0.48 -0.09 -0.21 0.77 -1.14 0.00 0.00 176.83 176.64 3ddv h SER 21 N -0.05 0.25 -0.23 3.07 4.64 -1.99 0.01 113.55 119.25 3ddv h SER 21 Ca 0.08 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3ddv h SER 21 Cb 0.17 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3ddv h SER 21 CO -0.18 0.47 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.55 3ddv h GLU 22 N 0.24 0.76 -0.21 4.77 5.08 -1.73 -1.15 114.58 122.35 3ddv h GLU 22 Ca 0.04 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3ddv h GLU 22 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ddv h GLU 22 CO 0.03 1.01 0.09 0.52 -1.00 0.00 0.00 179.01 179.66 3ddv h MET 23 N 0.63 0.30 0.43 2.33 2.86 0.36 -1.61 114.93 120.23 3ddv h MET 23 Ca 0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3ddv h MET 23 Cb 0.92 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3ddv h MET 23 CO 0.08 0.34 -0.20 1.49 1.06 0.00 0.00 176.91 179.67 3ddv h GLU 24 N 0.20 -0.55 -0.13 1.72 4.22 -0.87 0.45 114.58 119.61 3ddv h GLU 24 Ca 0.07 0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.41 3ddv h GLU 24 Cb 0.14 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ddv h GLU 24 CO -0.01 -0.32 -0.50 0.87 -2.18 0.00 0.00 179.01 176.86 3ddv h LYS 25 N -0.65 0.35 -0.02 1.92 1.79 -1.24 -2.95 116.57 115.77 3ddv h LYS 25 Ca -0.06 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3ddv h LYS 25 Cb 0.48 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3ddv h LYS 25 CO 0.10 0.78 -0.34 1.28 -1.08 0.00 0.00 179.45 180.19 3ddv n LEU 26 N -3.96 1.91 -3.14 2.94 4.77 -0.61 -4.83 117.00 114.09 3ddv n LEU 26 Ca -0.02 -0.67 -0.06 0.00 -0.03 0.00 0.00 56.01 55.23 3ddv n LEU 26 Cb 0.56 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ddv n LEU 26 CO 0.44 0.35 0.19 0.00 -1.33 0.00 0.00 177.39 177.04 3ddv n GLN 27 N 0.04 -1.58 -3.87 3.23 6.02 0.14 -4.62 117.38 116.74 3ddv n GLN 27 Ca 0.11 1.51 -0.11 0.00 -0.01 0.00 0.00 57.00 58.50 3ddv n GLN 27 Cb 0.45 -5.13 -0.10 0.00 1.02 0.00 0.00 30.24 26.49 3ddv n GLN 27 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ddv s LEU 28 N -3.81 1.58 0.72 1.08 1.43 -0.10 -5.02 118.68 114.56 3ddv s LEU 28 Ca 0.06 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3ddv s LEU 28 Cb -0.01 0.63 0.06 0.00 0.03 0.00 0.00 46.19 46.90 3ddv s LEU 28 CO 0.78 -0.34 1.04 -0.83 0.23 0.00 0.00 176.35 177.23 3ddv s GLY 29 N -1.26 1.66 0.83 -3.19 0.00 -1.26 -4.57 107.32 99.53 3ddv s GLY 29 Ca -0.14 -0.85 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 3ddv s GLY 29 CO 0.01 -0.43 1.12 2.56 0.00 0.00 0.00 173.10 176.36 3ddv s PRO 30 N -5.30 1.71 0.00 2.90 0.04 -1.26 -2.24 135.00 130.85 3ddv s PRO 30 Ca 0.60 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3ddv s PRO 30 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3ddv s PRO 30 CO 0.46 -2.08 0.00 0.39 0.04 0.00 0.00 177.00 175.80 3ddv n GLU 31 N -3.83 0.00 -2.58 4.56 -0.58 -1.26 -4.97 120.64 111.98 3ddv n GLU 31 Ca 0.10 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.41 3ddv n GLU 31 Cb 0.53 -1.07 -0.02 0.00 -0.57 0.00 0.00 31.44 30.31 3ddv n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ddv s ASP 32 N -1.78 6.65 0.61 1.62 1.01 -0.95 -5.01 116.67 118.82 3ddv s ASP 32 Ca 0.00 0.60 -0.19 0.00 0.71 0.00 0.00 52.55 53.67 3ddv s ASP 32 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3ddv s ASP 32 CO 0.00 -1.21 1.29 -0.44 0.21 0.00 0.00 175.17 175.02 3ddv s SER 33 N 2.48 4.87 0.18 0.27 0.01 -1.26 -3.97 113.70 116.28 3ddv s SER 33 Ca 0.49 2.61 0.08 0.00 1.31 0.00 0.00 55.95 60.44 3ddv s SER 33 Cb -0.09 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 3ddv s SER 33 CO 0.29 -1.83 -0.17 0.27 0.41 0.00 0.00 173.24 172.22 3ddv s ILE 34 N -1.41 1.79 -0.18 1.44 -4.36 -0.23 -0.04 121.20 118.21 3ddv s ILE 34 Ca 0.79 -2.03 -0.13 0.00 -0.26 0.00 0.00 60.65 59.02 3ddv s ILE 34 Cb -0.37 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 3ddv s ILE 34 CO 0.40 -0.42 0.27 -0.22 0.24 0.00 0.00 174.94 175.21 3ddv s LEU 35 N -2.92 4.22 -0.12 0.37 2.96 0.22 -1.61 118.68 121.80 3ddv s LEU 35 Ca 0.18 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3ddv s LEU 35 Cb -0.04 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.33 3ddv s LEU 35 CO 0.07 0.09 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.38 3ddv s ARG 36 N 0.61 2.78 0.00 1.98 3.52 0.15 -1.30 118.95 126.70 3ddv s ARG 36 Ca 0.15 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3ddv s ARG 36 Cb -0.13 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 3ddv s ARG 36 CO 0.04 -0.00 -0.03 0.00 -0.81 0.00 0.00 175.30 174.49 3ddv s MET 37 N 0.79 0.26 0.01 5.12 0.23 0.01 -1.64 119.30 124.08 3ddv s MET 37 Ca -0.09 -0.22 0.07 0.00 -1.03 0.00 0.00 55.69 54.43 3ddv s MET 37 Cb -0.16 -0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 32.93 3ddv s MET 37 CO -0.00 0.05 -0.22 -1.21 -2.03 0.00 0.00 175.02 171.61 3ddv s GLU 38 N -0.36 1.66 -0.21 3.16 2.02 -0.67 0.15 118.70 124.46 3ddv s GLU 38 Ca -0.02 -0.85 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 3ddv s GLU 38 Cb -0.03 -1.67 0.06 0.00 0.10 0.00 0.00 34.13 32.59 3ddv s GLU 38 CO -0.00 0.45 0.52 0.50 0.02 0.00 0.00 175.26 176.75 3ddv s ARG 39 N -0.75 0.57 -0.13 1.61 3.52 -0.47 -1.41 118.95 121.88 3ddv s ARG 39 Ca 0.08 0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 56.49 3ddv s ARG 39 Cb -0.09 0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 3ddv s ARG 39 CO 0.00 -0.12 0.02 0.42 -0.81 0.00 0.00 175.30 174.82 3ddv s ILE 40 N 0.91 4.47 0.07 4.11 1.01 -0.54 -0.59 121.20 130.65 3ddv s ILE 40 Ca -0.05 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.50 3ddv s ILE 40 Cb -0.05 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3ddv s ILE 40 CO -0.08 0.54 -0.14 -0.13 0.00 0.00 0.00 174.94 175.13 3ddv s ARG 41 N -0.23 2.10 0.05 2.79 0.52 -0.76 -0.58 118.95 122.83 3ddv s ARG 41 Ca 0.06 -1.00 0.08 0.00 -0.52 0.00 0.00 55.73 54.35 3ddv s ARG 41 Cb -0.12 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3ddv s ARG 41 CO 0.02 0.52 -0.22 -0.06 0.02 0.00 0.00 175.30 175.59 3ddv s PHE 42 N -1.09 1.90 -0.09 -0.53 0.08 -0.68 -0.08 117.98 117.50 3ddv s PHE 42 Ca 0.18 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.89 3ddv s PHE 42 Cb -0.11 -1.13 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3ddv s PHE 42 CO 0.10 0.10 -0.24 0.00 -0.10 0.00 0.00 175.22 175.08 3ddv s ALA 43 N -0.81 2.15 -1.44 5.36 0.00 0.65 -3.95 121.76 123.71 3ddv s ALA 43 Ca 0.08 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3ddv s ALA 43 Cb -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.29 3ddv s ALA 43 CO 0.02 0.31 0.68 -0.25 0.00 0.00 0.00 175.76 176.52 3ddv n ASP 44 N 3.43 -1.94 -0.27 0.00 8.00 -1.26 -0.21 116.55 124.31 3ddv n ASP 44 Ca -0.19 -0.90 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 3ddv n ASP 44 Cb 0.53 -3.53 -0.01 0.00 -0.02 0.00 0.00 41.12 38.08 3ddv n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ddv n ASP 45 N -2.94 -4.99 -4.58 -2.24 8.00 -1.26 -4.96 116.55 103.57 3ddv n ASP 45 Ca -0.18 0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.05 3ddv n ASP 45 Cb 0.63 -3.24 -0.11 0.00 -0.02 0.00 0.00 41.12 38.38 3ddv n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ddv s ILE 46 N -1.14 4.28 0.11 0.53 1.01 0.71 -5.04 121.20 121.67 3ddv s ILE 46 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 3ddv s ILE 46 Cb 0.00 -2.88 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 3ddv s ILE 46 CO 0.00 0.51 1.53 -2.16 0.00 0.00 0.00 174.94 174.82 3ddv s PRO 47 N 0.08 4.24 -0.12 2.79 0.04 -1.26 -0.26 135.00 140.52 3ddv s PRO 47 Ca 0.02 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.36 3ddv s PRO 47 Cb -0.13 -3.32 -0.24 0.00 0.04 0.00 0.00 34.50 30.85 3ddv s PRO 47 CO 0.02 -0.59 0.37 -0.89 0.04 0.00 0.00 177.00 175.95 3ddv n ILE 48 N 4.21 1.62 -3.49 0.56 2.08 0.89 -4.86 119.36 120.37 3ddv n ILE 48 Ca 0.14 -0.73 -0.13 0.00 0.56 0.00 0.00 62.75 62.58 3ddv n ILE 48 Cb 0.40 -1.24 -0.04 0.00 -0.75 0.00 0.00 39.64 38.02 3ddv n ILE 48 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ddv s PHE 50 N -2.36 1.88 -0.07 0.00 5.36 0.02 -1.82 117.98 121.00 3ddv s PHE 50 Ca -0.03 -0.74 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 3ddv s PHE 50 Cb -0.01 -1.32 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 3ddv s PHE 50 CO -0.02 -0.34 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.26 3ddv s GLU 51 N 0.57 1.85 -0.20 10.12 2.12 0.24 0.05 118.70 133.44 3ddv s GLU 51 Ca -0.16 -0.46 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 3ddv s GLU 51 Cb -0.17 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 3ddv s GLU 51 CO 0.05 0.04 0.12 0.08 -0.54 0.00 0.00 175.26 175.01 3ddv s VAL 52 N 0.65 5.27 -0.04 3.70 1.01 0.68 -1.37 120.40 130.30 3ddv s VAL 52 Ca -0.15 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3ddv s VAL 52 Cb -0.16 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3ddv s VAL 52 CO 0.04 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.41 3ddv s ALA 53 N 0.48 1.44 -0.13 5.51 0.00 0.12 -0.57 121.76 128.61 3ddv s ALA 53 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3ddv s ALA 53 Cb -0.12 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3ddv s ALA 53 CO -0.01 0.26 -0.18 -1.12 0.00 0.00 0.00 175.76 174.71 3ddv s SER 54 N 0.06 2.79 -0.04 0.00 0.01 -0.58 -0.81 113.70 115.13 3ddv s SER 54 Ca -0.04 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.75 3ddv s SER 54 Cb -0.11 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 3ddv s SER 54 CO 0.02 0.03 -0.20 -0.63 0.41 0.00 0.00 173.24 172.87 3ddv s ILE 55 N 0.99 1.66 0.13 1.44 1.01 -0.42 -1.44 121.20 124.57 3ddv s ILE 55 Ca -0.05 -0.86 -0.35 0.00 0.00 0.00 0.00 60.65 59.40 3ddv s ILE 55 Cb -0.15 -1.42 -0.15 0.00 0.01 0.00 0.00 42.46 40.76 3ddv s ILE 55 CO -0.03 0.47 1.50 -2.65 0.00 0.00 0.00 174.94 174.22 3ddv n PRO 56 N 3.00 1.79 0.20 2.79 -0.02 -1.26 0.72 135.00 142.22 3ddv n PRO 56 Ca -0.17 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3ddv n PRO 56 Cb 0.53 -2.37 0.41 0.00 -0.02 0.00 0.00 33.50 32.05 3ddv n PRO 56 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ddv h TYR 57 N 5.47 0.00 0.00 6.00 3.20 -0.72 -2.89 116.97 128.03 3ddv h TYR 57 Ca -0.46 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 3ddv h TYR 57 Cb 1.28 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 3ddv h TYR 57 CO 0.62 0.34 -0.25 0.66 -1.64 0.00 0.00 178.16 177.89 3ddv h SER 58 N 0.00 0.00 0.46 -2.11 4.64 -1.88 -1.55 113.55 113.10 3ddv h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ddv h SER 58 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3ddv h SER 58 CO 0.04 0.25 0.00 0.18 -0.87 0.00 0.00 176.83 176.43 3ddv n LEU 59 N -3.62 0.00 0.00 5.97 4.77 -1.09 -4.25 117.00 118.77 3ddv n LEU 59 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3ddv n LEU 59 Cb 0.38 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3ddv n LEU 59 CO 0.34 -0.02 -0.01 0.55 -1.33 0.00 0.00 177.39 176.91 3ddv n VAL 60 N -1.25 0.00 -0.29 4.08 3.14 -0.84 -4.79 118.33 118.38 3ddv n VAL 60 Ca 0.14 -0.10 0.29 0.00 -2.96 0.00 0.00 64.34 61.71 3ddv n VAL 60 Cb 0.21 0.89 0.53 0.00 -1.06 0.00 0.00 33.84 34.41 3ddv n VAL 60 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3ddv n SER 61 N -0.24 0.31 -0.21 6.55 7.64 -0.64 -0.84 113.62 126.19 3ddv n SER 61 Ca 0.00 1.48 0.11 0.00 1.01 0.00 0.00 58.87 61.47 3ddv n SER 61 Cb 0.00 -0.72 0.06 0.00 -1.01 0.00 0.00 64.21 62.54 3ddv n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ddv n GLN 62 N -5.00 0.55 -2.56 1.43 1.13 -1.26 -4.88 117.38 106.79 3ddv n GLN 62 Ca 0.34 -0.42 -0.25 0.00 -1.94 0.00 0.00 57.00 54.73 3ddv n GLN 62 Cb 1.17 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 30.06 3ddv n GLN 62 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3ddv s TYR 63 N -2.74 3.15 0.25 1.08 4.12 -0.02 -5.08 117.35 118.11 3ddv s TYR 63 Ca 0.15 0.42 0.08 0.00 0.02 0.00 0.00 57.07 57.74 3ddv s TYR 63 Cb 0.17 -2.68 -0.04 0.00 -1.52 0.00 0.00 41.96 37.89 3ddv s TYR 63 CO 0.68 -0.78 0.12 0.20 0.02 0.00 0.00 175.55 175.79 3ddv s GLY 64 N -4.32 1.53 0.29 0.71 0.00 -1.26 -4.97 107.32 99.29 3ddv s GLY 64 Ca 0.54 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.81 3ddv s GLY 64 CO 0.42 -1.52 1.68 1.70 0.00 0.00 0.00 173.10 175.38 3ddv h LYS 65 N 1.76 0.34 -0.20 2.90 3.64 -1.98 -1.07 116.57 121.96 3ddv h LYS 65 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3ddv h LYS 65 Cb 1.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3ddv h LYS 65 CO 0.61 0.22 0.09 0.66 -2.27 0.00 0.00 179.45 178.76 3ddv h SER 66 N 0.35 0.28 0.17 4.20 4.64 -1.98 0.31 113.55 121.52 3ddv h SER 66 Ca 0.56 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.74 3ddv h SER 66 Cb 1.09 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3ddv h SER 66 CO -0.56 0.36 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.16 3ddv h GLU 67 N 0.18 -0.49 -1.00 4.77 5.08 -1.59 0.21 114.58 121.74 3ddv h GLU 67 Ca 0.07 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3ddv h GLU 67 Cb 0.16 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3ddv h GLU 67 CO -0.01 -0.33 0.65 0.82 -1.00 0.00 0.00 179.01 179.15 3ddv h ILE 68 N -0.51 1.16 0.25 3.13 2.04 -1.07 0.18 117.51 122.68 3ddv h ILE 68 Ca 0.02 -0.43 -0.33 0.00 1.00 0.00 0.00 64.86 65.12 3ddv h ILE 68 Cb 0.51 -0.20 0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3ddv h ILE 68 CO -0.12 0.23 -1.44 0.71 0.00 0.00 0.00 178.15 177.52 3ddv h THR 69 N 1.24 1.28 0.00 -0.27 1.35 -0.02 -3.37 112.91 113.13 3ddv h THR 69 Ca 0.40 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 3ddv h THR 69 Cb 0.03 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3ddv h THR 69 CO -0.13 0.80 -1.04 0.59 -0.25 0.00 0.00 175.52 175.49 3ddv n ASN 70 N -3.75 1.53 -2.28 5.36 4.13 0.70 -4.74 115.26 116.21 3ddv n ASN 70 Ca -0.17 -0.36 -0.01 0.00 1.68 0.00 0.00 54.58 55.72 3ddv n ASN 70 Cb 1.08 1.27 0.05 0.00 -1.54 0.00 0.00 39.78 40.64 3ddv n ASN 70 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ddv n SER 71 N -1.59 1.79 0.11 6.41 7.64 0.61 -4.94 113.62 123.64 3ddv n SER 71 Ca -0.00 -2.29 -0.13 0.00 1.01 0.00 0.00 58.87 57.45 3ddv n SER 71 Cb 0.23 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 3ddv n SER 71 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3ddv h PHE 72 N 2.05 -0.20 0.38 1.43 3.57 -1.66 0.87 116.94 123.39 3ddv h PHE 72 Ca -0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3ddv h PHE 72 Cb 1.45 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3ddv h PHE 72 CO 0.47 -0.07 -0.18 1.88 -2.23 0.00 0.00 178.31 178.17 3ddv h TYR 73 N -0.27 -0.48 -0.91 0.41 0.05 -1.92 -0.23 116.97 113.62 3ddv h TYR 73 Ca -0.02 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.83 3ddv h TYR 73 Cb 0.21 0.16 -0.12 0.00 1.01 0.00 0.00 36.73 38.00 3ddv h TYR 73 CO -0.05 -0.16 -0.58 0.87 -1.05 0.00 0.00 178.16 177.19 3ddv h LYS 74 N -0.80 -0.06 -0.85 4.88 1.79 -1.94 -1.83 116.57 117.77 3ddv h LYS 74 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3ddv h LYS 74 Cb 0.53 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 3ddv h LYS 74 CO 0.09 -0.04 0.53 1.15 -1.08 0.00 0.00 179.45 180.10 3ddv h THR 75 N -0.06 1.23 -0.06 -0.16 2.02 0.95 0.19 112.91 117.02 3ddv h THR 75 Ca 0.15 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3ddv h THR 75 Cb 0.44 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3ddv h THR 75 CO -0.89 0.23 0.02 0.25 0.37 0.00 0.00 175.52 175.51 3ddv h LEU 76 N 1.16 0.09 -0.07 2.58 5.85 -0.26 -1.93 115.31 122.73 3ddv h LEU 76 Ca 0.31 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3ddv h LEU 76 Cb -0.08 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3ddv h LEU 76 CO -0.06 0.23 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.67 3ddv h GLU 77 N -0.06 0.29 -0.62 1.25 5.08 -1.12 0.61 114.58 120.01 3ddv h GLU 77 Ca 0.02 -0.23 0.18 0.00 -1.00 0.00 0.00 59.36 58.33 3ddv h GLU 77 Cb 0.17 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3ddv h GLU 77 CO -0.00 0.86 0.60 0.00 -1.00 0.00 0.00 179.01 179.47 3ddv h ALA 78 N 0.43 2.41 0.00 3.43 0.00 -0.61 -3.37 119.26 121.55 3ddv h ALA 78 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ddv h ALA 78 Cb 0.90 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ddv h ALA 78 CO 0.05 -0.92 -1.00 1.63 0.00 0.00 0.00 179.25 179.01 3ddv n LYS 79 N -3.78 0.00 0.14 0.00 5.02 -0.73 -4.84 118.16 113.97 3ddv n LYS 79 Ca 0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 3ddv n LYS 79 Cb 0.83 -0.61 0.51 0.00 -0.02 0.00 0.00 35.03 35.74 3ddv n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ddv n SER 80 N -2.90 0.67 -3.19 4.39 3.41 0.21 -4.85 113.62 111.37 3ddv n SER 80 Ca -0.00 0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 59.19 3ddv n SER 80 Cb 0.50 -0.82 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 3ddv n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ddv n GLY 81 N -0.15 -1.20 3.45 5.00 0.00 -1.26 -5.05 105.19 105.99 3ddv n GLY 81 Ca 0.02 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 3ddv n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddv s HIS 82 N -3.23 -0.47 -0.06 1.61 3.76 -1.26 -5.15 115.29 110.49 3ddv s HIS 82 Ca 0.27 0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.53 3ddv s HIS 82 Cb -0.04 0.55 -0.02 0.00 1.11 0.00 0.00 32.58 34.17 3ddv s HIS 82 CO 0.75 -0.73 -0.15 0.15 -0.85 0.00 0.00 174.74 173.92 3ddv s LYS 83 N -3.41 2.57 -0.15 1.40 -0.14 -1.26 -4.55 119.74 114.20 3ddv s LYS 83 Ca 0.02 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.64 3ddv s LYS 83 Cb -0.01 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.70 3ddv s LYS 83 CO -0.11 0.59 2.01 0.42 -0.76 0.00 0.00 175.35 177.50 3ddv s ILE 84 N -0.63 3.17 0.00 2.17 1.01 -1.26 -0.16 121.20 125.49 3ddv s ILE 84 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3ddv s ILE 84 Cb -0.11 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3ddv s ILE 84 CO 0.01 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.47 3ddv n GLY 85 N 5.20 0.66 3.79 6.18 0.00 0.31 -4.57 105.19 116.76 3ddv n GLY 85 Ca 0.25 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3ddv n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddv s HIS 86 N 2.69 2.79 0.08 1.61 3.76 -1.24 -4.73 115.29 120.25 3ddv s HIS 86 Ca 0.00 1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 56.29 3ddv s HIS 86 Cb 0.00 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 3ddv s HIS 86 CO 0.00 -1.66 -0.01 -1.54 -0.85 0.00 0.00 174.74 170.68 3ddv s SER 87 N -3.65 0.51 0.03 1.40 1.04 -1.26 -0.86 113.70 110.91 3ddv s SER 87 Ca 0.60 -1.06 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 3ddv s SER 87 Cb -0.16 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 3ddv s SER 87 CO 0.55 -0.62 0.07 0.54 0.98 0.00 0.00 173.24 174.76 3ddv s ASN 88 N -2.97 0.18 0.01 7.02 2.20 -0.55 -5.01 114.94 115.82 3ddv s ASN 88 Ca 0.12 -0.49 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 3ddv s ASN 88 Cb 0.08 0.19 -0.01 0.00 -2.00 0.00 0.00 41.25 39.51 3ddv s ASN 88 CO -0.06 -0.44 -0.02 -1.10 -2.94 0.00 0.00 177.10 172.54 3ddv s GLN 89 N -2.18 0.18 -0.15 3.55 -0.21 -1.26 -2.29 119.66 117.31 3ddv s GLN 89 Ca -0.09 -0.33 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 3ddv s GLN 89 Cb -0.04 0.02 0.04 0.00 1.00 0.00 0.00 33.01 34.04 3ddv s GLN 89 CO -0.03 -0.02 -0.02 0.99 -2.12 0.00 0.00 175.29 174.09 3ddv s THR 90 N -0.75 0.81 -0.20 -0.19 2.01 -0.25 -4.98 115.64 112.09 3ddv s THR 90 Ca -0.08 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3ddv s THR 90 Cb -0.05 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3ddv s THR 90 CO -0.00 0.10 0.07 -0.63 -0.69 0.00 0.00 174.62 173.47 3ddv s ILE 91 N 1.77 4.65 0.28 1.82 1.01 -1.26 -1.96 121.20 127.50 3ddv s ILE 91 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3ddv s ILE 91 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3ddv s ILE 91 CO -0.07 0.42 0.27 -0.94 0.00 0.00 0.00 174.94 174.61 3ddv s SER 92 N 0.79 0.90 -0.07 3.58 1.04 -0.20 -4.98 113.70 114.77 3ddv s SER 92 Ca 0.04 -1.53 0.05 0.00 0.48 0.00 0.00 55.95 54.98 3ddv s SER 92 Cb -0.13 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3ddv s SER 92 CO 0.02 -1.02 -0.23 0.00 0.98 0.00 0.00 173.24 172.99 3ddv s ALA 93 N -3.68 2.26 0.02 5.32 0.00 -1.26 0.14 121.76 124.56 3ddv s ALA 93 Ca 0.37 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 3ddv s ALA 93 Cb 0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3ddv s ALA 93 CO 0.20 0.41 0.12 0.08 0.00 0.00 0.00 175.76 176.57 3ddv s VAL 94 N -0.15 0.10 0.36 0.00 1.01 0.34 -4.95 120.40 117.12 3ddv s VAL 94 Ca -0.03 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 3ddv s VAL 94 Cb -0.14 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 3ddv s VAL 94 CO 0.04 -0.47 1.06 -1.10 0.00 0.00 0.00 175.10 174.63 3ddv s GLN 95 N -1.92 4.31 0.13 2.72 -0.21 -1.26 0.59 119.66 124.03 3ddv s GLN 95 Ca -0.11 1.60 -0.31 0.00 0.02 0.00 0.00 55.36 56.56 3ddv s GLN 95 Cb -0.05 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 3ddv s GLN 95 CO -0.01 -0.03 1.45 0.00 -2.12 0.00 0.00 175.29 174.58 3ddv s ALA 96 N -1.50 3.65 0.92 6.09 0.00 0.21 -4.81 121.76 126.32 3ddv s ALA 96 Ca 0.54 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 3ddv s ALA 96 Cb -0.25 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.45 3ddv s ALA 96 CO 0.32 -0.67 1.11 -1.54 0.00 0.00 0.00 175.76 174.98 3ddv s SER 97 N 1.11 3.39 0.14 0.00 1.04 -1.26 -1.40 113.70 116.72 3ddv s SER 97 Ca 0.66 1.18 -0.18 0.00 0.48 0.00 0.00 55.95 58.10 3ddv s SER 97 Cb -0.39 -1.83 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 3ddv s SER 97 CO 0.31 -2.65 1.76 -0.08 0.98 0.00 0.00 173.24 173.55 3ddv h GLU 98 N -1.56 0.23 0.34 4.02 4.81 -1.95 0.31 114.58 120.78 3ddv h GLU 98 Ca -0.51 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3ddv h GLU 98 Cb 1.31 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3ddv h GLU 98 CO 0.59 0.15 -0.39 0.37 -0.73 0.00 0.00 179.01 179.00 3ddv h GLN 99 N 0.24 -0.74 0.00 1.92 5.75 -1.99 0.24 115.11 120.53 3ddv h GLN 99 Ca 0.12 0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3ddv h GLN 99 Cb 0.07 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3ddv h GLN 99 CO -0.11 -0.49 -0.26 0.82 -2.65 0.00 0.00 178.83 176.14 3ddv h ILE 100 N -0.77 1.15 0.03 2.39 2.04 -1.89 -0.96 117.51 119.50 3ddv h ILE 100 Ca -0.02 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3ddv h ILE 100 Cb 0.70 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3ddv h ILE 100 CO -0.10 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 3ddv h ALA 101 N 1.74 -0.04 -0.16 1.87 0.00 0.07 0.39 119.26 123.14 3ddv h ALA 101 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ddv h ALA 101 Cb 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3ddv h ALA 101 CO 0.03 -0.49 -0.11 0.93 0.00 0.00 0.00 179.25 179.61 3ddv h GLU 102 N -0.10 -0.11 -0.90 0.00 5.08 -0.04 0.43 114.58 118.95 3ddv h GLU 102 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ddv h GLU 102 Cb 0.09 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3ddv h GLU 102 CO 0.01 -0.07 0.50 1.88 -1.00 0.00 0.00 179.01 180.33 3ddv h TYR 103 N -0.11 1.22 -0.02 4.33 0.05 -1.11 -2.85 116.97 118.48 3ddv h TYR 103 Ca 0.10 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3ddv h TYR 103 Cb 0.26 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.61 3ddv h TYR 103 CO -0.25 0.83 -0.05 1.28 -1.05 0.00 0.00 178.16 178.92 3ddv n LEU 104 N -4.35 2.00 -3.32 3.88 4.77 0.12 -4.91 117.00 115.19 3ddv n LEU 104 Ca 0.10 -0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 55.25 3ddv n LEU 104 Cb 0.09 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3ddv n LEU 104 CO 0.39 0.34 0.05 -0.62 -1.33 0.00 0.00 177.39 176.21 3ddv n GLU 105 N 0.49 -3.52 -2.28 3.23 1.02 0.15 -4.66 120.64 115.06 3ddv n GLU 105 Ca 0.16 0.85 -0.04 0.00 -0.02 0.00 0.00 57.16 58.12 3ddv n GLU 105 Cb 0.45 -5.81 -0.01 0.00 -0.02 0.00 0.00 31.44 26.05 3ddv n GLU 105 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3ddv n ILE 106 N -3.52 0.00 -4.08 -3.67 -5.35 -0.73 -5.04 119.36 96.96 3ddv n ILE 106 Ca -0.14 -0.47 -0.33 0.00 -0.27 0.00 0.00 62.75 61.54 3ddv n ILE 106 Cb 0.63 0.26 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 3ddv n ILE 106 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ddv s LYS 107 N -2.24 3.12 0.24 6.28 1.02 -1.26 -4.38 119.74 122.53 3ddv s LYS 107 Ca 0.08 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 3ddv s LYS 107 Cb 0.00 -2.90 -0.16 0.00 -0.52 0.00 0.00 37.83 34.25 3ddv s LYS 107 CO 0.05 0.66 0.70 -2.13 -0.92 0.00 0.00 175.35 173.71 3ddv n ARG 108 N 1.27 0.52 0.00 1.68 0.63 -1.26 -1.29 116.66 118.20 3ddv n ARG 108 Ca -0.14 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3ddv n ARG 108 Cb 0.53 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.11 3ddv n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ddv n GLY 109 N 1.71 2.97 3.69 5.14 0.00 -0.50 -4.91 105.19 113.31 3ddv n GLY 109 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ddv n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddv s ASP 110 N 0.85 3.27 -0.14 1.61 1.01 -0.41 -4.16 116.67 118.70 3ddv s ASP 110 Ca 0.00 2.12 -0.26 0.00 0.71 0.00 0.00 52.55 55.12 3ddv s ASP 110 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3ddv s ASP 110 CO 0.00 -2.87 0.86 0.00 0.21 0.00 0.00 175.17 173.38 3ddv s ALA 111 N -2.68 3.47 -0.09 5.23 0.00 -1.26 0.64 121.76 127.07 3ddv s ALA 111 Ca 0.66 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.78 3ddv s ALA 111 Cb -0.22 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3ddv s ALA 111 CO 0.57 -0.58 -0.19 0.42 0.00 0.00 0.00 175.76 175.98 3ddv s ILE 112 N 1.97 2.52 -0.25 0.00 -1.09 0.20 -0.70 121.20 123.85 3ddv s ILE 112 Ca 0.41 -0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 3ddv s ILE 112 Cb -0.17 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 3ddv s ILE 112 CO 0.14 0.56 0.41 -0.22 -1.23 0.00 0.00 174.94 174.60 3ddv s LEU 113 N 0.04 4.07 -0.15 2.97 2.96 -0.55 -0.50 118.68 127.51 3ddv s LEU 113 Ca -0.07 0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3ddv s LEU 113 Cb -0.15 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3ddv s LEU 113 CO 0.05 -0.18 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.26 3ddv s ARG 114 N 1.96 3.65 -0.12 1.98 3.52 0.12 -1.06 118.95 128.99 3ddv s ARG 114 Ca 0.17 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3ddv s ARG 114 Cb -0.15 -2.90 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3ddv s ARG 114 CO 0.09 0.25 -0.17 0.08 -0.81 0.00 0.00 175.30 174.74 3ddv s VAL 115 N 0.33 1.69 -0.09 7.11 1.01 -0.05 -1.04 120.40 129.37 3ddv s VAL 115 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3ddv s VAL 115 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3ddv s VAL 115 CO 0.03 0.48 -0.11 -0.13 0.00 0.00 0.00 175.10 175.37 3ddv s ARG 116 N 0.96 2.92 -0.01 2.72 0.52 -0.83 -0.17 118.95 125.08 3ddv s ARG 116 Ca -0.06 -0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3ddv s ARG 116 Cb -0.15 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.77 3ddv s ARG 116 CO -0.02 0.49 0.01 -1.14 0.02 0.00 0.00 175.30 174.66 3ddv s GLN 117 N -0.36 -0.01 -0.08 3.54 0.74 0.90 -1.09 119.66 123.31 3ddv s GLN 117 Ca 0.04 0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.52 3ddv s GLN 117 Cb -0.12 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 3ddv s GLN 117 CO 0.02 -0.04 -0.11 0.08 -0.55 0.00 0.00 175.29 174.69 3ddv s VAL 118 N 0.26 3.27 0.09 1.34 1.01 -0.97 -0.24 120.40 125.15 3ddv s VAL 118 Ca -0.02 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3ddv s VAL 118 Cb -0.03 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3ddv s VAL 118 CO -0.01 0.57 -0.23 -0.44 0.00 0.00 0.00 175.10 175.00 3ddv s SER 119 N -0.44 2.75 0.13 3.32 0.01 -1.06 -1.49 113.70 116.92 3ddv s SER 119 Ca 0.06 -0.65 0.06 0.00 1.31 0.00 0.00 55.95 56.73 3ddv s SER 119 Cb -0.12 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3ddv s SER 119 CO 0.02 0.13 -0.14 -0.31 0.41 0.00 0.00 173.24 173.35 3ddv s TYR 120 N -1.02 1.44 0.62 2.43 2.02 -0.04 -0.87 117.35 121.94 3ddv s TYR 120 Ca 0.09 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.08 3ddv s TYR 120 Cb -0.10 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 3ddv s TYR 120 CO 0.04 0.17 1.06 -0.06 -1.57 0.00 0.00 175.55 175.18 3ddv s PHE 121 N -2.23 3.03 0.62 2.71 0.08 1.00 0.12 117.98 123.30 3ddv s PHE 121 Ca 0.10 1.49 0.24 0.00 0.12 0.00 0.00 56.93 58.88 3ddv s PHE 121 Cb -0.04 -2.97 1.12 0.00 -0.57 0.00 0.00 43.02 40.55 3ddv s PHE 121 CO 0.03 -1.13 1.59 0.93 -0.10 0.00 0.00 175.22 176.54 3ddv h GLU 122 N 0.14 0.00 -0.55 0.44 5.08 -0.80 0.61 114.58 119.50 3ddv h GLU 122 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3ddv h GLU 122 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ddv h GLU 122 CO 0.57 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.85 3ddv n ASN 123 N -3.20 2.82 0.00 1.42 0.23 -1.26 -4.92 115.26 110.35 3ddv n ASN 123 Ca 0.09 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 3ddv n ASN 123 Cb 0.90 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3ddv n ASN 123 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ddv n GLY 124 N 0.89 1.57 3.67 4.83 0.00 0.21 -5.04 105.19 111.32 3ddv n GLY 124 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3ddv n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ddv s LEU 125 N 0.00 4.19 0.37 0.99 2.96 -1.25 -4.73 118.68 121.20 3ddv s LEU 125 Ca 0.00 1.54 -0.28 0.00 -0.22 0.00 0.00 54.13 55.17 3ddv s LEU 125 Cb 0.00 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.03 3ddv s LEU 125 CO 0.00 -0.58 1.44 -2.65 -1.32 0.00 0.00 176.35 173.23 3ddv n PRO 126 N 5.69 2.53 0.00 0.98 -0.02 -1.26 -0.00 135.00 142.92 3ddv n PRO 126 Ca 0.11 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3ddv n PRO 126 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3ddv n PRO 126 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3ddv n PHE 127 N 0.42 0.00 -3.64 6.00 1.16 -0.05 -4.87 117.46 116.49 3ddv n PHE 127 Ca 0.02 -0.11 -0.09 0.00 -1.87 0.00 0.00 57.45 55.40 3ddv n PHE 127 Cb 0.38 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 38.17 3ddv n PHE 127 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3ddv s GLU 128 N -0.22 0.70 -0.20 3.97 2.12 -1.23 -4.41 118.70 119.42 3ddv s GLU 128 Ca 0.00 1.08 -0.01 0.00 0.36 0.00 0.00 54.97 56.40 3ddv s GLU 128 Cb 0.00 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.66 3ddv s GLU 128 CO 0.00 -0.13 -0.02 -0.47 -0.54 0.00 0.00 175.26 174.10 3ddv s TYR 129 N 1.20 1.76 -0.06 5.30 5.04 -0.52 -2.57 117.35 127.51 3ddv s TYR 129 Ca -0.07 -1.29 0.04 0.00 -2.44 0.00 0.00 57.07 53.32 3ddv s TYR 129 Cb -0.05 -1.33 -0.00 0.00 0.35 0.00 0.00 41.96 40.93 3ddv s TYR 129 CO -0.13 -0.68 -0.19 0.08 -1.34 0.00 0.00 175.55 173.29 3ddv s VAL 130 N 1.61 1.59 -0.18 3.14 1.01 0.66 -1.53 120.40 126.70 3ddv s VAL 130 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3ddv s VAL 130 Cb -0.17 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.89 3ddv s VAL 130 CO -0.07 0.45 0.03 -0.13 0.00 0.00 0.00 175.10 175.38 3ddv s ARG 131 N 0.12 0.64 -0.00 2.72 0.52 0.27 -0.07 118.95 123.14 3ddv s ARG 131 Ca -0.07 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 3ddv s ARG 131 Cb -0.13 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 3ddv s ARG 131 CO 0.04 -0.60 -0.23 0.99 0.02 0.00 0.00 175.30 175.51 3ddv s THR 132 N 1.88 2.31 -0.24 0.02 2.01 0.77 -0.23 115.64 122.16 3ddv s THR 132 Ca -0.00 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.89 3ddv s THR 132 Cb -0.16 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.55 3ddv s THR 132 CO -0.08 0.51 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.74 3ddv s GLN 133 N -0.86 1.59 -0.13 4.92 0.74 0.11 -0.87 119.66 125.16 3ddv s GLN 133 Ca 0.11 -1.02 -0.09 0.00 0.05 0.00 0.00 55.36 54.42 3ddv s GLN 133 Cb -0.10 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 3ddv s GLN 133 CO 0.01 -0.62 0.17 0.71 -0.55 0.00 0.00 175.29 175.00 3ddv s TYR 134 N 1.39 3.56 -0.05 1.67 2.02 -0.23 -0.80 117.35 124.91 3ddv s TYR 134 Ca -0.05 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 56.87 3ddv s TYR 134 Cb -0.19 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.25 3ddv s TYR 134 CO -0.07 0.60 2.04 0.00 -1.57 0.00 0.00 175.55 176.56 3ddv n ALA 135 N 2.41 1.57 -0.11 3.71 0.00 -0.68 -1.49 120.51 125.91 3ddv n ALA 135 Ca -0.18 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 3ddv n ALA 135 Cb 0.54 -2.73 0.03 0.00 0.00 0.00 0.00 19.45 17.28 3ddv n ALA 135 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ddv h GLY 136 N 11.77 0.43 2.00 0.00 0.00 -1.24 -1.82 103.07 114.22 3ddv h GLY 136 Ca -0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3ddv h GLY 136 CO 0.95 -0.05 -0.17 1.48 0.00 0.00 0.00 176.54 178.74 3ddv h SER 137 N 0.17 0.00 -0.37 0.19 4.64 -1.90 -2.45 113.55 113.83 3ddv h SER 137 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3ddv h SER 137 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ddv h SER 137 CO -0.27 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.41 3ddv n ARG 138 N -3.40 2.41 -3.93 4.77 1.74 -0.73 -4.99 116.66 112.53 3ddv n ARG 138 Ca -0.00 -2.21 -0.10 0.00 -0.77 0.00 0.00 57.85 54.77 3ddv n ARG 138 Cb 0.37 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.23 3ddv n ARG 138 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ddv s PHE 139 N -1.41 0.17 -0.02 -1.55 5.36 -0.91 -4.98 117.98 114.64 3ddv s PHE 139 Ca 0.36 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 3ddv s PHE 139 Cb 0.21 -0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3ddv s PHE 139 CO 0.29 -0.27 -0.00 -1.21 -1.46 0.00 0.00 175.22 172.57 3ddv s GLU 140 N -1.75 0.25 -0.23 10.12 0.41 -1.26 -4.83 118.70 121.40 3ddv s GLU 140 Ca -0.12 0.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.37 3ddv s GLU 140 Cb -0.07 -0.41 -0.05 0.00 -1.78 0.00 0.00 34.13 31.83 3ddv s GLU 140 CO -0.01 -0.10 0.22 0.12 -0.49 0.00 0.00 175.26 175.00 3ddv s PHE 141 N 0.82 3.32 -0.34 1.61 2.19 -1.26 -5.04 117.98 119.29 3ddv s PHE 141 Ca -0.08 0.32 -0.20 0.00 0.33 0.00 0.00 56.93 57.30 3ddv s PHE 141 Cb -0.11 -2.35 -0.00 0.00 -1.31 0.00 0.00 43.02 39.25 3ddv s PHE 141 CO -0.02 0.03 0.61 0.71 1.83 0.00 0.00 175.22 178.38 3ddv s TYR 142 N 1.19 3.18 0.30 10.12 2.02 -1.26 -5.03 117.35 127.87 3ddv s TYR 142 Ca 0.10 0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.90 3ddv s TYR 142 Cb -0.14 -3.04 -0.11 0.00 -0.40 0.00 0.00 41.96 38.27 3ddv s TYR 142 CO 0.06 -0.55 1.57 -0.51 -1.57 0.00 0.00 175.55 174.55 3ddv s LEU 143 N 2.60 4.34 0.06 -1.29 1.02 -1.26 -4.93 118.68 119.23 3ddv s LEU 143 Ca 0.23 2.94 -0.31 0.00 0.02 0.00 0.00 54.13 57.02 3ddv s LEU 143 Cb -0.15 -3.64 -0.07 0.00 0.02 0.00 0.00 46.19 42.35 3ddv s LEU 143 CO 0.13 -0.89 1.42 -0.70 0.02 0.00 0.00 176.35 176.33 3ddv s GLU 144 N -0.70 4.29 0.00 1.70 2.56 -1.26 -5.34 118.70 119.95 3ddv s GLU 144 Ca 0.62 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.65 3ddv s GLU 144 Cb -0.47 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.24 3ddv s GLU 144 CO 0.50 -0.53 0.48 1.63 -0.56 0.00 0.00 175.26 176.78