#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca9 n MET 1 N 0.00 0.00 0.00 -4.13 2.81 -1.26 -5.08 117.12 109.46 3ca9 n MET 1 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3ca9 n MET 1 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3ca9 n MET 1 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3ca9 n SER 2 N 0.00 0.00 0.00 7.83 3.41 -1.26 -5.01 113.62 118.60 3ca9 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ca9 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ca9 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ca9 n SER 3 N 0.00 0.00 -4.17 4.04 7.64 -1.26 -4.92 113.62 114.96 3ca9 n SER 3 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 3ca9 n SER 3 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3ca9 n SER 3 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ca9 s LEU 4 N -0.00 5.60 -0.07 -3.43 2.96 -1.26 -2.97 118.68 119.50 3ca9 s LEU 4 Ca 0.00 -2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 51.17 3ca9 s LEU 4 Cb 0.00 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3ca9 s LEU 4 CO 0.00 -0.52 1.34 -0.22 -1.32 0.00 0.00 176.35 175.63 3ca9 s LEU 5 N 0.55 4.26 -0.42 -0.68 0.20 -1.22 -4.89 118.68 116.48 3ca9 s LEU 5 Ca 0.13 1.92 -0.01 0.00 0.69 0.00 0.00 54.13 56.86 3ca9 s LEU 5 Cb -0.21 -3.55 0.11 0.00 -0.43 0.00 0.00 46.19 42.12 3ca9 s LEU 5 CO -0.04 -0.72 0.20 -0.69 -0.29 0.00 0.00 176.35 174.81 3ca9 s VAL 6 N 2.91 3.07 -0.88 1.68 1.01 -1.26 -2.00 120.40 124.93 3ca9 s VAL 6 Ca 0.60 -2.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.07 3ca9 s VAL 6 Cb -0.27 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.06 3ca9 s VAL 6 CO 0.22 -0.70 1.24 -0.75 0.00 0.00 0.00 175.10 175.11 3ca9 s LYS 7 N 0.88 3.44 0.13 2.72 2.20 -0.36 -4.92 119.74 123.84 3ca9 s LYS 7 Ca 0.10 -1.12 -0.31 0.00 -0.36 0.00 0.00 55.97 54.28 3ca9 s LYS 7 Cb -0.22 -4.83 -0.11 0.00 -1.51 0.00 0.00 37.83 31.16 3ca9 s LYS 7 CO -0.05 -2.00 1.84 1.17 -0.36 0.00 0.00 175.35 175.95 3ca9 n LYS 8 N 8.05 2.81 0.04 4.03 4.81 -1.26 -1.92 118.16 134.72 3ca9 n LYS 8 Ca 0.19 1.02 0.11 0.00 -0.87 0.00 0.00 58.31 58.76 3ca9 n LYS 8 Cb 0.49 -2.92 -0.00 0.00 0.02 0.00 0.00 35.03 32.62 3ca9 n LYS 8 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ca9 n LEU 9 N 5.60 0.59 -3.72 3.14 4.77 0.98 -4.90 117.00 123.47 3ca9 n LEU 9 Ca 0.18 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3ca9 n LEU 9 Cb 0.37 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 3ca9 n LEU 9 CO 0.66 -0.02 0.04 0.68 -1.33 0.00 0.00 177.39 177.41 3ca9 s VAL 10 N -3.28 -0.02 0.25 4.08 -7.23 -1.22 -5.01 120.40 107.97 3ca9 s VAL 10 Ca 0.01 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 3ca9 s VAL 10 Cb 0.13 -0.56 0.31 0.00 0.56 0.00 0.00 36.38 36.82 3ca9 s VAL 10 CO 0.81 0.03 1.21 -1.84 -0.31 0.00 0.00 175.10 175.00 3ca9 n GLU 11 N 3.75 -0.06 0.19 4.82 -0.00 -1.26 0.41 120.64 128.49 3ca9 n GLU 11 Ca -0.20 1.14 0.04 0.00 -0.00 0.00 0.00 57.16 58.14 3ca9 n GLU 11 Cb 0.56 -1.86 0.47 0.00 -0.00 0.00 0.00 31.44 30.61 3ca9 n GLU 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ca9 h SER 12 N 0.00 0.08 -2.36 -1.84 4.64 -1.96 -3.44 113.55 108.66 3ca9 h SER 12 Ca 0.51 -0.01 -0.60 0.00 -0.47 0.00 0.00 61.79 61.21 3ca9 h SER 12 Cb 1.14 -0.02 0.07 0.00 -0.31 0.00 0.00 62.40 63.28 3ca9 h SER 12 CO -0.70 0.24 0.59 0.00 -0.87 0.00 0.00 176.83 176.09 3ca9 n ALA 13 N -2.50 0.67 -2.32 5.18 0.00 0.17 -4.94 120.51 116.76 3ca9 n ALA 13 Ca -0.02 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 3ca9 n ALA 13 Cb 0.25 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 3ca9 n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ca9 s THR 14 N 0.20 4.90 -0.30 0.00 2.01 -1.26 -4.94 115.64 116.25 3ca9 s THR 14 Ca 0.73 0.30 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 3ca9 s THR 14 Cb -0.72 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 3ca9 s THR 14 CO 0.47 -0.56 0.35 0.28 -0.69 0.00 0.00 174.62 174.47 3ca9 s THR 15 N -2.40 5.18 -0.80 -0.82 -1.32 -1.26 -4.81 115.64 109.41 3ca9 s THR 15 Ca 0.48 0.32 -0.33 0.00 -1.21 0.00 0.00 61.69 60.94 3ca9 s THR 15 Cb -0.10 -3.74 -0.19 0.00 -1.51 0.00 0.00 72.50 66.96 3ca9 s THR 15 CO 0.35 0.06 2.53 -2.65 -2.21 0.00 0.00 174.62 172.70 3ca9 n PRO 16 N 5.34 0.19 -4.41 7.08 -0.02 -1.26 -4.94 135.00 136.99 3ca9 n PRO 16 Ca -0.09 0.02 -0.27 0.00 -2.02 0.00 0.00 63.50 61.14 3ca9 n PRO 16 Cb 0.50 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 3ca9 n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ca9 s MET 17 N 8.17 1.60 -0.31 -0.52 1.75 -1.23 -4.83 119.30 123.92 3ca9 s MET 17 Ca 1.27 -1.52 -0.02 0.00 -1.25 0.00 0.00 55.69 54.17 3ca9 s MET 17 Cb -1.15 -1.88 0.05 0.00 2.84 0.00 0.00 34.83 34.69 3ca9 s MET 17 CO 0.50 0.40 0.03 -0.98 -0.65 0.00 0.00 175.02 174.31 3ca9 s ARG 18 N -2.77 2.41 0.00 4.11 1.70 -1.26 -0.04 118.95 123.10 3ca9 s ARG 18 Ca 0.22 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 3ca9 s ARG 18 Cb -0.08 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.06 3ca9 s ARG 18 CO 0.11 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 3ca9 n GLY 19 N 4.64 0.00 3.63 3.88 0.00 -1.26 -4.56 105.19 111.51 3ca9 n GLY 19 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3ca9 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ca9 s SER 20 N -0.38 2.47 0.23 1.61 1.04 -1.26 -4.91 113.70 112.50 3ca9 s SER 20 Ca 0.00 1.91 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 3ca9 s SER 20 Cb 0.00 -2.46 0.25 0.00 0.10 0.00 0.00 66.02 63.91 3ca9 s SER 20 CO 0.00 -3.34 1.62 -0.08 0.98 0.00 0.00 173.24 172.42 3ca9 h GLU 21 N -2.03 0.58 -1.02 4.02 4.57 -2.04 -2.91 114.58 115.75 3ca9 h GLU 21 Ca -0.49 -0.27 -0.46 0.00 -1.18 0.00 0.00 59.36 56.96 3ca9 h GLU 21 Cb 1.29 -0.01 -0.26 0.00 -0.16 0.00 0.00 28.75 29.61 3ca9 h GLU 21 CO 0.46 0.85 0.59 0.41 -1.18 0.00 0.00 179.01 180.13 3ca9 n GLY 22 N -0.12 4.30 1.61 1.92 0.00 -1.26 -4.96 105.19 106.68 3ca9 n GLY 22 Ca -0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3ca9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca9 n ALA 23 N -0.84 -1.38 0.00 4.61 0.00 -1.10 -5.03 120.51 116.77 3ca9 n ALA 23 Ca 0.51 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ca9 n ALA 23 Cb 1.36 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.76 3ca9 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ca9 n ALA 24 N -3.76 1.73 -2.38 0.00 0.00 -1.26 -5.07 120.51 109.77 3ca9 n ALA 24 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 3ca9 n ALA 24 Cb 0.26 0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 3ca9 n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ca9 s GLY 25 N -2.55 1.26 -0.32 0.00 0.00 -1.26 -4.60 107.32 99.85 3ca9 s GLY 25 Ca 0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 44.72 43.03 3ca9 s GLY 25 CO 0.00 -1.58 0.56 -0.19 0.00 0.00 0.00 173.10 171.88 3ca9 s TYR 26 N -2.68 3.20 0.26 1.90 1.51 0.20 -4.45 117.35 117.30 3ca9 s TYR 26 Ca 0.17 0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 56.31 3ca9 s TYR 26 Cb -0.02 -2.93 -0.13 0.00 -0.11 0.00 0.00 41.96 38.77 3ca9 s TYR 26 CO 0.05 -0.49 1.50 -0.25 -1.11 0.00 0.00 175.55 175.25 3ca9 n ASP 27 N 5.78 3.30 -4.23 2.29 9.92 0.95 0.88 116.55 135.43 3ca9 n ASP 27 Ca -0.03 1.14 -0.32 0.00 -0.53 0.00 0.00 54.79 55.05 3ca9 n ASP 27 Cb 0.49 -1.51 -0.17 0.00 -0.64 0.00 0.00 41.12 39.29 3ca9 n ASP 27 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3ca9 s ILE 28 N 0.01 2.05 0.22 0.53 -4.36 -0.81 -3.57 121.20 115.27 3ca9 s ILE 28 Ca 0.67 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 3ca9 s ILE 28 Cb -0.58 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 3ca9 s ILE 28 CO 0.48 0.56 0.40 -0.44 0.24 0.00 0.00 174.94 176.18 3ca9 s SER 29 N 0.19 6.37 -0.08 4.36 0.01 -1.26 -1.50 113.70 121.78 3ca9 s SER 29 Ca -0.14 0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.22 3ca9 s SER 29 Cb -0.17 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3ca9 s SER 29 CO 0.07 -0.06 0.82 -0.55 0.41 0.00 0.00 173.24 173.93 3ca9 s SER 30 N -3.32 7.08 -0.81 2.44 0.15 0.29 -4.56 113.70 114.98 3ca9 s SER 30 Ca 0.38 1.31 -0.00 0.00 0.70 0.00 0.00 55.95 58.34 3ca9 s SER 30 Cb -0.11 -2.47 0.35 0.00 -1.71 0.00 0.00 66.02 62.09 3ca9 s SER 30 CO 0.30 -0.25 1.77 0.55 1.20 0.00 0.00 173.24 176.80 3ca9 n VAL 31 N 4.14 3.94 0.00 4.45 3.14 -0.79 0.94 118.33 134.16 3ca9 n VAL 31 Ca 0.03 -4.87 0.00 0.00 -2.96 0.00 0.00 64.34 56.54 3ca9 n VAL 31 Cb 0.50 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 3ca9 n VAL 31 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3ca9 n GLU 32 N -0.40 0.00 -3.15 1.45 0.28 -1.26 -4.88 120.64 112.67 3ca9 n GLU 32 Ca 0.49 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 57.08 3ca9 n GLU 32 Cb 0.32 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.12 3ca9 n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3ca9 s ASP 33 N 0.00 6.48 0.09 -1.84 1.01 -1.26 -2.39 116.67 118.75 3ca9 s ASP 33 Ca 0.00 0.46 -0.06 0.00 0.71 0.00 0.00 52.55 53.67 3ca9 s ASP 33 Cb 0.00 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.60 3ca9 s ASP 33 CO 0.00 -0.41 0.12 0.68 0.21 0.00 0.00 175.17 175.77 3ca9 s VAL 34 N 2.50 0.15 -0.13 -1.27 -7.23 0.94 -4.92 120.40 110.44 3ca9 s VAL 34 Ca 0.24 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3ca9 s VAL 34 Cb -0.15 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.28 3ca9 s VAL 34 CO 0.11 -0.70 -0.21 0.54 -0.31 0.00 0.00 175.10 174.53 3ca9 s VAL 35 N -3.91 1.93 -0.58 1.32 0.11 -1.26 0.37 120.40 118.38 3ca9 s VAL 35 Ca 0.09 -0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 58.05 3ca9 s VAL 35 Cb 0.06 -1.71 0.10 0.00 -1.53 0.00 0.00 36.38 33.30 3ca9 s VAL 35 CO -0.08 0.53 0.69 0.54 -3.33 0.00 0.00 175.10 173.44 3ca9 s VAL 36 N 0.82 4.84 0.31 2.04 0.11 -0.35 -4.90 120.40 123.27 3ca9 s VAL 36 Ca -0.08 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.72 3ca9 s VAL 36 Cb -0.16 -4.47 -0.14 0.00 -1.53 0.00 0.00 36.38 30.09 3ca9 s VAL 36 CO -0.01 -1.09 0.81 -0.81 -3.33 0.00 0.00 175.10 170.67 3ca9 n PRO 37 N 6.26 0.91 -1.68 1.54 -0.04 -1.26 -2.19 135.00 138.54 3ca9 n PRO 37 Ca -0.10 0.32 -0.45 0.00 -0.04 0.00 0.00 63.50 63.23 3ca9 n PRO 37 Cb 0.42 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 3ca9 n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ca9 n ALA 38 N -0.09 1.48 -1.49 0.55 0.00 -1.26 0.07 120.51 119.77 3ca9 n ALA 38 Ca 0.12 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 3ca9 n ALA 38 Cb 0.32 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 3ca9 n ALA 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ca9 n MET 39 N 5.36 -1.15 -4.54 0.00 2.81 0.98 -4.92 117.12 115.65 3ca9 n MET 39 Ca 0.19 1.08 -0.27 0.00 -1.81 0.00 0.00 57.70 56.90 3ca9 n MET 39 Cb 0.32 -5.29 -0.08 0.00 -0.71 0.00 0.00 33.22 27.47 3ca9 n MET 39 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ca9 s GLY 40 N -2.82 2.72 0.30 3.03 0.00 0.11 -4.88 107.32 105.78 3ca9 s GLY 40 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.70 3ca9 s GLY 40 CO 0.00 -1.87 -0.02 1.09 0.00 0.00 0.00 173.10 172.30 3ca9 s ARG 41 N -3.69 1.60 -0.14 2.90 1.70 -1.26 -0.01 118.95 120.05 3ca9 s ARG 41 Ca 0.21 -1.84 -0.26 0.00 -0.47 0.00 0.00 55.73 53.37 3ca9 s ARG 41 Cb 0.02 -1.10 0.06 0.00 -0.57 0.00 0.00 34.95 33.36 3ca9 s ARG 41 CO 0.14 -0.03 0.64 -1.50 -1.08 0.00 0.00 175.30 173.46 3ca9 s ILE 42 N -3.07 0.01 -0.72 4.99 2.07 -0.58 -4.71 121.20 119.18 3ca9 s ILE 42 Ca 0.32 -0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.37 3ca9 s ILE 42 Cb 0.05 -0.93 0.18 0.00 0.13 0.00 0.00 42.46 41.90 3ca9 s ILE 42 CO 0.13 -0.02 0.66 0.00 -1.91 0.00 0.00 174.94 173.79 3ca9 s ALA 43 N -0.51 3.90 0.24 1.50 0.00 -1.26 -0.46 121.76 125.18 3ca9 s ALA 43 Ca -0.06 -3.04 -0.30 0.00 0.00 0.00 0.00 51.96 48.56 3ca9 s ALA 43 Cb -0.03 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3ca9 s ALA 43 CO 0.05 -2.18 1.09 0.08 0.00 0.00 0.00 175.76 174.81 3ca9 s VAL 44 N 0.66 3.64 0.05 0.00 1.01 -0.15 -4.78 120.40 120.83 3ca9 s VAL 44 Ca 0.13 1.57 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 3ca9 s VAL 44 Cb -0.17 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3ca9 s VAL 44 CO -0.05 0.34 0.64 -0.44 0.00 0.00 0.00 175.10 175.59 3ca9 s SER 45 N -0.63 7.10 -0.00 3.32 0.01 -1.26 -0.83 113.70 121.41 3ca9 s SER 45 Ca 0.46 1.30 0.12 0.00 1.31 0.00 0.00 55.95 59.15 3ca9 s SER 45 Cb -0.31 -2.40 -0.14 0.00 0.21 0.00 0.00 66.02 63.39 3ca9 s SER 45 CO 0.38 0.16 0.49 0.35 0.41 0.00 0.00 173.24 175.03 3ca9 n THR 46 N 2.23 0.00 -2.63 1.44 -2.24 -1.18 -1.88 114.28 110.02 3ca9 n THR 46 Ca -0.07 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 3ca9 n THR 46 Cb 0.50 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.65 3ca9 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca9 n GLY 47 N 1.35 -0.30 3.31 3.38 0.00 -1.26 -4.46 105.19 107.20 3ca9 n GLY 47 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3ca9 n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ca9 s ILE 48 N -2.96 0.07 0.16 -0.61 -4.36 -1.26 -0.01 121.20 112.22 3ca9 s ILE 48 Ca 0.14 -0.55 0.08 0.00 -0.26 0.00 0.00 60.65 60.06 3ca9 s ILE 48 Cb -0.06 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 3ca9 s ILE 48 CO 0.17 -0.30 -0.17 -0.94 0.24 0.00 0.00 174.94 173.94 3ca9 s SER 49 N -2.27 2.58 0.05 4.36 1.04 -0.81 -0.48 113.70 118.17 3ca9 s SER 49 Ca -0.03 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.50 3ca9 s SER 49 Cb 0.00 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3ca9 s SER 49 CO -0.05 -0.06 0.03 0.27 0.98 0.00 0.00 173.24 174.40 3ca9 s ILE 50 N -2.16 0.17 -0.49 -1.02 -4.36 -1.26 -1.22 121.20 110.86 3ca9 s ILE 50 Ca 0.15 -1.43 0.03 0.00 -0.26 0.00 0.00 60.65 59.15 3ca9 s ILE 50 Cb -0.05 -1.19 0.15 0.00 1.25 0.00 0.00 42.46 42.63 3ca9 s ILE 50 CO 0.06 -0.79 0.33 -0.13 0.24 0.00 0.00 174.94 174.65 3ca9 s ARG 51 N -3.29 1.44 0.54 0.37 3.00 -0.84 -4.68 118.95 115.47 3ca9 s ARG 51 Ca 0.01 -2.35 -0.22 0.00 0.00 0.00 0.00 55.73 53.18 3ca9 s ARG 51 Cb 0.03 -2.29 -0.05 0.00 0.00 0.00 0.00 34.95 32.64 3ca9 s ARG 51 CO -0.08 -1.26 1.35 0.14 0.00 0.00 0.00 175.30 175.45 3ca9 s VAL 52 N -0.16 2.12 0.59 3.52 -7.23 -1.26 -3.38 120.40 114.60 3ca9 s VAL 52 Ca 0.24 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 3ca9 s VAL 52 Cb -0.11 -3.04 -0.08 0.00 0.56 0.00 0.00 36.38 33.71 3ca9 s VAL 52 CO -0.10 -0.00 0.56 -0.81 -0.31 0.00 0.00 175.10 174.44 3ca9 n PRO 53 N -0.97 0.52 -0.63 4.82 -0.04 -1.16 -4.89 135.00 132.65 3ca9 n PRO 53 Ca 0.10 0.21 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 3ca9 n PRO 53 Cb 0.45 -1.76 0.19 0.00 -0.04 0.00 0.00 33.50 32.34 3ca9 n PRO 53 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ca9 n ASP 54 N 0.28 -1.44 -4.04 3.54 9.92 -1.26 -3.08 116.55 120.47 3ca9 n ASP 54 Ca 0.12 0.09 -0.32 0.00 -0.53 0.00 0.00 54.79 54.15 3ca9 n ASP 54 Cb 0.48 -1.24 -0.00 0.00 -0.64 0.00 0.00 41.12 39.72 3ca9 n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ca9 n GLY 55 N 1.15 -0.44 3.64 0.44 0.00 -1.26 -4.92 105.19 103.80 3ca9 n GLY 55 Ca 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 3ca9 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca9 s THR 56 N -3.37 0.00 0.28 2.61 2.01 -1.18 -2.61 115.64 113.39 3ca9 s THR 56 Ca 0.61 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.70 3ca9 s THR 56 Cb -0.32 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3ca9 s THR 56 CO 0.88 0.00 0.08 -0.72 -0.69 0.00 0.00 174.62 174.17 3ca9 s TYR 57 N 1.28 2.79 -0.38 4.92 1.13 -0.43 -4.61 117.35 122.06 3ca9 s TYR 57 Ca -0.08 -0.24 -0.12 0.00 -1.41 0.00 0.00 57.07 55.22 3ca9 s TYR 57 Cb -0.04 -1.35 0.02 0.00 -1.10 0.00 0.00 41.96 39.48 3ca9 s TYR 57 CO -0.15 0.52 0.24 0.20 -2.51 0.00 0.00 175.55 173.85 3ca9 s GLY 58 N -3.76 1.95 -0.13 5.49 0.00 -0.26 -1.05 107.32 109.56 3ca9 s GLY 58 Ca 0.33 -1.65 -0.19 0.00 0.00 0.00 0.00 44.72 43.21 3ca9 s GLY 58 CO 0.22 0.85 0.51 -1.60 0.00 0.00 0.00 173.10 173.08 3ca9 s ARG 59 N 1.62 4.33 -0.62 2.90 3.52 -0.12 -0.16 118.95 130.42 3ca9 s ARG 59 Ca 0.04 0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 55.91 3ca9 s ARG 59 Cb -0.19 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 3ca9 s ARG 59 CO 0.08 0.09 0.93 0.42 -0.81 0.00 0.00 175.30 176.01 3ca9 s ILE 60 N 0.82 4.39 0.34 4.11 -1.09 0.18 -1.14 121.20 128.82 3ca9 s ILE 60 Ca 0.27 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.50 3ca9 s ILE 60 Cb -0.15 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.10 3ca9 s ILE 60 CO 0.11 -1.33 0.48 0.00 -1.23 0.00 0.00 174.94 172.98 3ca9 s ALA 61 N 3.89 4.23 0.45 9.38 0.00 -0.66 -4.71 121.76 134.34 3ca9 s ALA 61 Ca 0.23 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 3ca9 s ALA 61 Cb -0.16 -1.70 -0.10 0.00 0.00 0.00 0.00 23.12 21.16 3ca9 s ALA 61 CO 0.12 -0.06 0.95 -2.14 0.00 0.00 0.00 175.76 174.63 3ca9 s PRO 62 N -4.20 4.11 0.27 0.00 0.02 -1.26 -2.06 135.00 131.89 3ca9 s PRO 62 Ca 0.46 1.03 -0.19 0.00 0.02 0.00 0.00 61.00 62.31 3ca9 s PRO 62 Cb -0.10 -2.18 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 3ca9 s PRO 62 CO 0.32 -0.10 0.76 1.03 -0.33 0.00 0.00 177.00 178.67 3ca9 s ARG 63 N -3.48 4.21 0.01 5.54 0.52 -1.26 -4.71 118.95 119.78 3ca9 s ARG 63 Ca 0.60 0.87 -0.24 0.00 -0.52 0.00 0.00 55.73 56.45 3ca9 s ARG 63 Cb -0.09 -2.71 -0.13 0.00 0.52 0.00 0.00 34.95 32.54 3ca9 s ARG 63 CO 0.20 0.29 1.09 1.03 0.02 0.00 0.00 175.30 177.93 3ca9 h SER 64 N 2.98 -0.72 -0.89 0.23 0.87 -1.97 -3.05 113.55 111.00 3ca9 h SER 64 Ca -0.48 0.02 0.24 0.00 -1.23 0.00 0.00 61.79 60.35 3ca9 h SER 64 Cb 1.19 0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 63.18 3ca9 h SER 64 CO 0.65 -0.40 0.17 1.23 -0.53 0.00 0.00 176.83 177.95 3ca9 h GLY 65 N -1.08 1.30 0.86 5.77 0.00 -1.98 -0.27 103.07 107.68 3ca9 h GLY 65 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ca9 h GLY 65 CO 0.14 -0.40 -0.11 1.41 0.00 0.00 0.00 176.54 177.58 3ca9 h LEU 66 N 0.15 -0.30 -0.60 3.11 3.38 -1.92 1.22 115.31 120.36 3ca9 h LEU 66 Ca 0.55 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.60 3ca9 h LEU 66 Cb 1.12 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3ca9 h LEU 66 CO -0.71 -0.17 0.32 0.00 0.09 0.00 0.00 178.44 177.97 3ca9 h ALA 67 N 0.62 0.79 0.08 1.53 0.00 -1.11 0.20 119.26 121.37 3ca9 h ALA 67 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ca9 h ALA 67 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ca9 h ALA 67 CO -0.03 -0.01 -0.04 -0.92 0.00 0.00 0.00 179.25 178.25 3ca9 h TYR 68 N 0.61 -0.10 -0.06 0.00 5.03 -0.61 -0.11 116.97 121.73 3ca9 h TYR 68 Ca 0.27 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.41 3ca9 h TYR 68 Cb 0.16 0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.48 3ca9 h TYR 68 CO -0.09 0.36 -0.60 0.87 -1.32 0.00 0.00 178.16 177.37 3ca9 h LYS 69 N -0.60 0.51 -0.11 1.82 1.57 0.16 -3.38 116.57 116.54 3ca9 h LYS 69 Ca -0.01 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3ca9 h LYS 69 Cb 0.50 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ca9 h LYS 69 CO 0.02 1.11 0.00 0.66 -0.57 0.00 0.00 179.45 180.66 3ca9 n TYR 70 N -4.18 0.27 -3.92 -1.35 4.02 0.68 -4.99 117.16 107.69 3ca9 n TYR 70 Ca -0.09 -0.75 -0.29 0.00 -0.01 0.00 0.00 57.90 56.75 3ca9 n TYR 70 Cb 0.66 -0.14 0.02 0.00 -0.02 0.00 0.00 39.34 39.86 3ca9 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ca9 n GLY 71 N -0.67 -0.44 3.77 2.72 0.00 -0.06 -4.57 105.19 105.94 3ca9 n GLY 71 Ca 0.12 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 3ca9 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ca9 s ILE 72 N -3.39 5.30 0.33 -0.61 -1.09 -1.15 -1.81 121.20 118.79 3ca9 s ILE 72 Ca 0.54 0.52 0.04 0.00 -2.23 0.00 0.00 60.65 59.51 3ca9 s ILE 72 Cb -0.27 -3.59 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 3ca9 s ILE 72 CO 0.84 0.47 0.05 -0.62 -1.23 0.00 0.00 174.94 174.45 3ca9 s ASP 73 N -0.08 2.54 -0.16 3.58 3.68 -0.87 -3.51 116.67 121.85 3ca9 s ASP 73 Ca 0.17 -1.38 -0.00 0.00 2.13 0.00 0.00 52.55 53.47 3ca9 s ASP 73 Cb -0.13 -0.12 -0.00 0.00 -1.45 0.00 0.00 42.92 41.21 3ca9 s ASP 73 CO 0.05 -0.59 -0.14 -0.69 0.13 0.00 0.00 175.17 173.93 3ca9 s VAL 74 N -3.23 2.75 0.34 1.11 1.01 -1.26 -1.44 120.40 119.67 3ca9 s VAL 74 Ca 0.36 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3ca9 s VAL 74 Cb 0.09 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3ca9 s VAL 74 CO 0.16 0.51 0.51 -0.76 0.00 0.00 0.00 175.10 175.51 3ca9 s LEU 75 N 0.86 4.00 0.00 3.92 1.43 -0.51 -4.87 118.68 123.51 3ca9 s LEU 75 Ca -0.04 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3ca9 s LEU 75 Cb -0.15 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3ca9 s LEU 75 CO -0.01 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.21 3ca9 n ALA 76 N -1.71 0.00 0.00 4.21 0.00 -1.26 -4.50 120.51 117.24 3ca9 n ALA 76 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ca9 n ALA 76 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ca9 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ca9 n GLY 77 N 0.00 0.71 3.49 0.00 0.00 -1.26 -4.91 105.19 103.22 3ca9 n GLY 77 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ca9 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ca9 s VAL 78 N -2.00 4.95 -0.39 1.61 1.01 -1.26 0.51 120.40 124.83 3ca9 s VAL 78 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 3ca9 s VAL 78 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3ca9 s VAL 78 CO 0.00 -0.56 0.28 -0.63 0.00 0.00 0.00 175.10 174.19 3ca9 s ILE 79 N 2.48 5.24 0.52 2.22 -1.09 0.78 -5.00 121.20 126.35 3ca9 s ILE 79 Ca 0.16 -0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 57.89 3ca9 s ILE 79 Cb -0.16 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3ca9 s ILE 79 CO 0.15 -0.21 1.02 -1.81 -1.23 0.00 0.00 174.94 172.86 3ca9 s ASP 80 N 1.69 6.34 0.20 3.58 1.11 -1.26 -1.10 116.67 127.23 3ca9 s ASP 80 Ca 0.05 1.75 -0.11 0.00 0.18 0.00 0.00 52.55 54.43 3ca9 s ASP 80 Cb -0.18 -2.53 0.16 0.00 1.07 0.00 0.00 42.92 41.43 3ca9 s ASP 80 CO 0.10 -0.78 1.85 -0.08 1.18 0.00 0.00 175.17 177.44 3ca9 h GLU 81 N 1.08 0.81 -1.19 8.23 4.81 -1.90 -2.22 114.58 124.19 3ca9 h GLU 81 Ca -0.48 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 3ca9 h GLU 81 Cb 1.20 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3ca9 h GLU 81 CO 0.60 0.54 0.12 -0.40 -0.73 0.00 0.00 179.01 179.13 3ca9 n ASP 82 N -4.67 3.73 -4.72 1.04 3.85 -1.26 -4.59 116.55 109.92 3ca9 n ASP 82 Ca 0.06 -2.35 -0.36 0.00 -0.71 0.00 0.00 54.79 51.43 3ca9 n ASP 82 Cb 0.06 -0.68 -0.07 0.00 -1.35 0.00 0.00 41.12 39.08 3ca9 n ASP 82 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3ca9 s TYR 83 N -0.57 3.44 -0.05 2.11 5.04 -0.84 -4.96 117.35 121.52 3ca9 s TYR 83 Ca 0.10 0.54 0.10 0.00 -2.44 0.00 0.00 57.07 55.37 3ca9 s TYR 83 Cb 0.08 -2.31 -0.15 0.00 0.35 0.00 0.00 41.96 39.93 3ca9 s TYR 83 CO 0.01 0.24 0.15 2.41 -1.34 0.00 0.00 175.55 177.02 3ca9 n THR 84 N 3.60 0.31 -0.86 4.34 -1.04 -1.26 -4.59 114.28 114.79 3ca9 n THR 84 Ca -0.13 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.05 61.25 3ca9 n THR 84 Cb 0.52 -0.19 0.26 0.00 -1.82 0.00 0.00 70.33 69.10 3ca9 n THR 84 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3ca9 s GLY 85 N -3.71 1.53 0.49 3.41 0.00 -1.26 -4.82 107.32 102.97 3ca9 s GLY 85 Ca -0.04 -0.92 -0.21 0.00 0.00 0.00 0.00 44.72 43.55 3ca9 s GLY 85 CO 0.44 0.01 1.09 1.85 0.00 0.00 0.00 173.10 176.49 3ca9 s GLU 86 N -5.31 3.69 -0.11 2.90 2.12 -1.26 -4.48 118.70 116.24 3ca9 s GLU 86 Ca 0.70 1.52 -0.26 0.00 0.36 0.00 0.00 54.97 57.29 3ca9 s GLU 86 Cb -0.11 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 3ca9 s GLU 86 CO 0.57 -0.55 0.86 0.08 -0.54 0.00 0.00 175.26 175.68 3ca9 s VAL 87 N -1.81 4.89 -0.08 3.70 1.01 0.37 -4.97 120.40 123.51 3ca9 s VAL 87 Ca 0.67 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.40 3ca9 s VAL 87 Cb -0.21 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3ca9 s VAL 87 CO 0.25 0.08 -0.07 -0.54 0.00 0.00 0.00 175.10 174.83 3ca9 s LYS 88 N 1.72 2.92 -0.39 2.72 -0.14 -1.26 -3.09 119.74 122.21 3ca9 s LYS 88 Ca 0.42 -0.55 -0.03 0.00 -1.36 0.00 0.00 55.97 54.45 3ca9 s LYS 88 Cb -0.18 -2.64 0.10 0.00 -1.68 0.00 0.00 37.83 33.43 3ca9 s LYS 88 CO 0.17 0.58 0.17 0.08 -0.76 0.00 0.00 175.35 175.59 3ca9 s VAL 89 N -0.57 3.24 -0.29 3.17 1.01 -0.01 -4.92 120.40 122.03 3ca9 s VAL 89 Ca 0.09 -1.96 -0.24 0.00 0.00 0.00 0.00 61.98 59.86 3ca9 s VAL 89 Cb -0.12 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3ca9 s VAL 89 CO 0.02 -0.61 0.82 0.27 0.00 0.00 0.00 175.10 175.60 3ca9 s ILE 90 N 1.15 4.78 0.07 2.22 -4.36 -1.26 -0.97 121.20 122.83 3ca9 s ILE 90 Ca 0.07 1.34 0.03 0.00 -0.26 0.00 0.00 60.65 61.82 3ca9 s ILE 90 Cb -0.22 -4.16 -0.04 0.00 1.25 0.00 0.00 42.46 39.29 3ca9 s ILE 90 CO -0.04 -0.22 0.07 -0.76 0.24 0.00 0.00 174.94 174.23 3ca9 s LEU 91 N 2.99 3.77 -0.12 0.37 1.43 0.39 -1.42 118.68 126.08 3ca9 s LEU 91 Ca 0.34 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3ca9 s LEU 91 Cb -0.14 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3ca9 s LEU 91 CO 0.11 0.19 -0.19 -0.47 0.23 0.00 0.00 176.35 176.23 3ca9 s TYR 92 N -1.34 2.33 -0.58 0.29 5.04 -0.52 -1.53 117.35 121.03 3ca9 s TYR 92 Ca 0.28 -1.14 -0.22 0.00 -2.44 0.00 0.00 57.07 53.55 3ca9 s TYR 92 Cb -0.12 -1.62 0.06 0.00 0.35 0.00 0.00 41.96 40.63 3ca9 s TYR 92 CO 0.20 -0.55 0.83 1.21 -1.34 0.00 0.00 175.55 175.91 3ca9 s ASN 93 N 0.90 6.24 0.00 4.32 2.47 0.99 -2.05 114.94 127.81 3ca9 s ASN 93 Ca -0.07 -0.83 0.16 0.00 0.42 0.00 0.00 52.86 52.53 3ca9 s ASN 93 Cb -0.15 -2.37 0.68 0.00 -1.45 0.00 0.00 41.25 37.96 3ca9 s ASN 93 CO -0.02 -1.19 1.49 1.07 -3.72 0.00 0.00 177.10 174.74 3ca9 n THR 94 N 5.87 0.87 -2.96 -5.21 5.66 -0.75 -1.06 114.28 116.71 3ca9 n THR 94 Ca -0.04 0.22 -0.21 0.00 -3.05 0.00 0.00 64.05 60.97 3ca9 n THR 94 Cb 0.46 -0.95 0.02 0.00 -1.55 0.00 0.00 70.33 68.30 3ca9 n THR 94 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ca9 s THR 95 N -2.93 3.51 -0.92 1.09 2.01 -1.26 -4.79 115.64 112.36 3ca9 s THR 95 Ca 0.09 -0.68 0.24 0.00 0.31 0.00 0.00 61.69 61.65 3ca9 s THR 95 Cb 0.10 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3ca9 s THR 95 CO 0.28 -0.17 1.33 1.21 -0.69 0.00 0.00 174.62 176.57 3ca9 n GLU 96 N -2.07 0.06 -4.29 4.92 4.07 -1.26 -0.01 120.64 122.06 3ca9 n GLU 96 Ca 0.04 0.01 -0.34 0.00 -0.06 0.00 0.00 57.16 56.81 3ca9 n GLU 96 Cb 0.58 -1.53 -0.11 0.00 -0.06 0.00 0.00 31.44 30.32 3ca9 n GLU 96 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3ca9 s ARG 97 N -3.04 3.64 1.03 5.31 3.52 -1.26 -4.73 118.95 123.42 3ca9 s ARG 97 Ca 0.09 -0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.11 3ca9 s ARG 97 Cb 0.17 -2.97 0.16 0.00 -1.56 0.00 0.00 34.95 30.74 3ca9 s ARG 97 CO 0.73 0.33 0.75 -0.25 -0.81 0.00 0.00 175.30 176.05 3ca9 n ASP 98 N 3.30 -1.26 -3.85 -2.12 9.92 -1.26 -4.46 116.55 116.82 3ca9 n ASP 98 Ca -0.17 0.14 -0.24 0.00 -0.53 0.00 0.00 54.79 53.99 3ca9 n ASP 98 Cb 0.53 -1.27 -0.17 0.00 -0.64 0.00 0.00 41.12 39.57 3ca9 n ASP 98 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3ca9 s TYR 99 N -2.45 1.04 0.02 1.24 6.14 -0.93 -4.90 117.35 117.50 3ca9 s TYR 99 Ca 0.63 -0.41 -0.22 0.00 0.64 0.00 0.00 57.07 57.71 3ca9 s TYR 99 Cb -0.21 -0.96 -0.05 0.00 0.42 0.00 0.00 41.96 41.15 3ca9 s TYR 99 CO 0.64 -0.38 0.66 0.42 0.64 0.00 0.00 175.55 177.53 3ca9 s ILE 100 N 1.65 4.84 -0.32 3.14 -1.09 -1.26 -1.21 121.20 126.95 3ca9 s ILE 100 Ca 0.02 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 59.86 3ca9 s ILE 100 Cb -0.13 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.84 3ca9 s ILE 100 CO -0.05 0.40 0.04 -0.63 -1.23 0.00 0.00 174.94 173.47 3ca9 s ILE 101 N -0.14 1.84 0.27 2.92 1.01 0.16 -4.99 121.20 122.28 3ca9 s ILE 101 Ca 0.34 -1.96 -0.24 0.00 0.00 0.00 0.00 60.65 58.78 3ca9 s ILE 101 Cb -0.19 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.87 3ca9 s ILE 101 CO 0.19 -0.55 0.86 -1.59 0.00 0.00 0.00 174.94 173.86 3ca9 s LYS 102 N 1.14 4.50 0.54 2.79 -2.85 -1.26 -0.04 119.74 124.56 3ca9 s LYS 102 Ca 0.08 1.18 -0.20 0.00 -1.00 0.00 0.00 55.97 56.03 3ca9 s LYS 102 Cb -0.19 -2.90 -0.08 0.00 -2.06 0.00 0.00 37.83 32.61 3ca9 s LYS 102 CO -0.12 0.36 0.84 0.36 0.10 0.00 0.00 175.35 176.89 3ca9 n LYS 103 N 0.78 0.90 0.00 1.78 -0.00 -1.01 -1.78 118.16 118.83 3ca9 n LYS 103 Ca -0.00 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 3ca9 n LYS 103 Cb 0.50 -1.99 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 3ca9 n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ca9 n GLY 104 N 1.41 3.01 3.73 2.58 0.00 0.27 -4.88 105.19 111.30 3ca9 n GLY 104 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3ca9 n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ca9 n ASP 105 N 0.27 3.36 -4.67 1.61 9.92 -0.73 -4.48 116.55 121.83 3ca9 n ASP 105 Ca 0.00 1.20 -0.42 0.00 -0.53 0.00 0.00 54.79 55.04 3ca9 n ASP 105 Cb 0.00 -1.55 -0.03 0.00 -0.64 0.00 0.00 41.12 38.90 3ca9 n ASP 105 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3ca9 s ARG 106 N -1.56 4.30 0.00 -1.24 0.52 -1.26 0.11 118.95 119.81 3ca9 s ARG 106 Ca 0.57 1.18 0.10 0.00 -0.52 0.00 0.00 55.73 57.06 3ca9 s ARG 106 Cb -0.53 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.33 3ca9 s ARG 106 CO 0.59 -0.44 0.59 0.44 0.02 0.00 0.00 175.30 176.51 3ca9 n ILE 107 N 4.94 0.00 -3.37 1.52 -5.35 -0.56 -4.91 119.36 111.62 3ca9 n ILE 107 Ca 0.08 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3ca9 n ILE 107 Cb 0.48 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 3ca9 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ca9 n ALA 108 N -0.41 0.00 -3.60 -1.28 0.00 -1.20 -4.62 120.51 109.40 3ca9 n ALA 108 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3ca9 n ALA 108 Cb 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 3ca9 n ALA 108 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ca9 s GLN 109 N -1.32 0.39 -0.12 0.00 -2.07 -0.87 -1.91 119.66 113.76 3ca9 s GLN 109 Ca 0.00 0.71 -0.21 0.00 -1.82 0.00 0.00 55.36 54.04 3ca9 s GLN 109 Cb 0.00 0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.91 3ca9 s GLN 109 CO 0.00 -0.14 0.63 -1.17 -1.32 0.00 0.00 175.29 173.29 3ca9 s LEU 110 N 1.12 4.25 -0.23 2.60 0.20 0.25 -1.66 118.68 125.21 3ca9 s LEU 110 Ca -0.07 0.99 -0.00 0.00 0.69 0.00 0.00 54.13 55.73 3ca9 s LEU 110 Cb -0.07 -2.93 0.03 0.00 -0.43 0.00 0.00 46.19 42.78 3ca9 s LEU 110 CO -0.09 -0.14 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.08 3ca9 s ILE 111 N 1.13 2.51 -1.00 6.68 1.01 -0.29 0.62 121.20 131.86 3ca9 s ILE 111 Ca 0.32 -1.09 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3ca9 s ILE 111 Cb -0.16 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.10 3ca9 s ILE 111 CO 0.14 0.27 1.53 -0.76 0.00 0.00 0.00 174.94 176.12 3ca9 s LEU 112 N 1.28 3.44 0.08 2.97 2.01 -1.26 -0.94 118.68 126.25 3ca9 s LEU 112 Ca 0.00 -1.30 -0.24 0.00 0.01 0.00 0.00 54.13 52.60 3ca9 s LEU 112 Cb -0.16 -2.57 -0.06 0.00 0.01 0.00 0.00 46.19 43.41 3ca9 s LEU 112 CO -0.07 -1.72 0.72 -1.61 1.01 0.00 0.00 176.35 174.67 3ca9 s GLU 113 N 5.33 4.45 -0.06 1.70 2.02 -0.22 -4.89 118.70 127.03 3ca9 s GLU 113 Ca 0.50 1.00 -0.29 0.00 0.02 0.00 0.00 54.97 56.20 3ca9 s GLU 113 Cb -0.01 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 3ca9 s GLU 113 CO -0.08 0.43 0.98 -0.65 0.02 0.00 0.00 175.26 175.95 3ca9 s GLN 114 N -0.53 4.48 0.05 1.61 -0.21 -1.26 -1.32 119.66 122.48 3ca9 s GLN 114 Ca 0.35 1.37 -0.01 0.00 0.02 0.00 0.00 55.36 57.10 3ca9 s GLN 114 Cb -0.21 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 3ca9 s GLN 114 CO 0.23 -0.18 -0.03 0.96 -2.12 0.00 0.00 175.29 174.14 3ca9 s ILE 115 N 1.53 0.24 -0.15 1.08 -4.36 -1.07 -4.96 121.20 113.51 3ca9 s ILE 115 Ca 0.49 -1.79 -0.02 0.00 -0.26 0.00 0.00 60.65 59.07 3ca9 s ILE 115 Cb -0.19 -1.49 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 3ca9 s ILE 115 CO 0.22 -0.98 -0.08 0.68 0.24 0.00 0.00 174.94 175.02 3ca9 s VAL 116 N -3.83 3.47 -0.79 8.37 -7.23 -1.26 -4.42 120.40 114.70 3ca9 s VAL 116 Ca 0.07 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 3ca9 s VAL 116 Cb 0.07 -2.49 0.26 0.00 0.56 0.00 0.00 36.38 34.78 3ca9 s VAL 116 CO -0.09 0.50 0.93 1.07 -0.31 0.00 0.00 175.10 177.20 3ca9 n THR 117 N 3.59 3.19 -1.69 5.32 5.66 -1.26 -5.07 114.28 124.02 3ca9 n THR 117 Ca -0.18 -5.38 -0.10 0.00 -3.05 0.00 0.00 64.05 55.35 3ca9 n THR 117 Cb 0.52 -2.14 0.06 0.00 -1.55 0.00 0.00 70.33 67.23 3ca9 n THR 117 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3ca9 n PRO 118 N 1.23 -0.19 -2.84 1.09 -0.04 -1.26 -5.12 135.00 127.88 3ca9 n PRO 118 Ca 0.27 -0.83 -0.19 0.00 -0.04 0.00 0.00 63.50 62.72 3ca9 n PRO 118 Cb 0.38 -0.41 0.03 0.00 -0.04 0.00 0.00 33.50 33.46 3ca9 n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ca9 s GLY 119 N -3.82 1.89 -0.08 0.55 0.00 -1.26 -5.11 107.32 99.49 3ca9 s GLY 119 Ca 0.26 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 3ca9 s GLY 119 CO 0.18 -1.29 0.10 0.14 0.00 0.00 0.00 173.10 172.23 3ca9 s VAL 120 N -2.56 5.11 -0.61 1.40 1.01 -1.26 -5.05 120.40 118.44 3ca9 s VAL 120 Ca 0.57 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.57 3ca9 s VAL 120 Cb -0.10 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 33.20 3ca9 s VAL 120 CO 0.36 0.55 0.42 0.00 0.00 0.00 0.00 175.10 176.43 3ca9 s ALA 121 N -1.05 3.19 0.23 5.51 0.00 -1.26 -5.10 121.76 123.28 3ca9 s ALA 121 Ca 0.17 -3.43 -0.28 0.00 0.00 0.00 0.00 51.96 48.42 3ca9 s ALA 121 Cb -0.12 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 3ca9 s ALA 121 CO 0.06 -2.06 0.90 0.54 0.00 0.00 0.00 175.76 175.20 3ca9 s VAL 122 N -0.91 4.16 -0.33 0.00 0.11 -1.26 -5.05 120.40 117.13 3ca9 s VAL 122 Ca 0.25 1.97 -0.00 0.00 -2.93 0.00 0.00 61.98 61.27 3ca9 s VAL 122 Cb -0.07 -4.26 0.10 0.00 -1.53 0.00 0.00 36.38 30.63 3ca9 s VAL 122 CO -0.14 0.48 0.11 -0.69 -3.33 0.00 0.00 175.10 171.53 3ca9 s VAL 123 N -1.20 1.02 0.48 2.04 1.01 -1.26 -5.12 120.40 117.36 3ca9 s VAL 123 Ca 0.40 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.55 3ca9 s VAL 123 Cb -0.25 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 3ca9 s VAL 123 CO 0.30 -0.70 1.33 -0.22 0.00 0.00 0.00 175.10 175.81 3ca9 s LEU 124 N 1.42 4.02 0.00 3.92 0.20 -1.26 -5.37 118.68 121.61 3ca9 s LEU 124 Ca 0.11 2.70 0.00 0.00 0.69 0.00 0.00 54.13 57.63 3ca9 s LEU 124 Cb -0.18 -4.11 0.00 0.00 -0.43 0.00 0.00 46.19 41.47 3ca9 s LEU 124 CO -0.21 -1.21 0.00 0.47 -0.29 0.00 0.00 176.35 175.11