#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx1 n SER 2 N 0.00 0.00 -3.95 0.00 2.88 -1.26 -5.05 113.62 106.24 1cx1 n SER 2 Ca 0.00 0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.47 1cx1 n SER 2 Cb 0.00 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1cx1 s LEU 3 N -1.82 1.89 0.00 2.46 1.43 -1.26 -5.03 118.68 116.35 1cx1 s LEU 3 Ca 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1cx1 s LEU 3 Cb 0.00 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.81 1cx1 s LEU 3 CO 0.00 -0.58 0.00 0.47 0.23 0.00 0.00 176.35 176.47 1cx1 n ASP 4 N 0.44 0.00 -3.16 2.29 8.00 -1.26 -4.12 116.55 118.74 1cx1 n ASP 4 Ca -0.17 -0.44 -0.20 0.00 0.71 0.00 0.00 54.79 54.69 1cx1 n ASP 4 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cx1 n SER 5 N -1.33 -1.19 -1.02 -2.24 3.41 -1.26 -4.30 113.62 105.69 1cx1 n SER 5 Ca 0.00 -0.40 0.10 0.00 -0.26 0.00 0.00 58.87 58.31 1cx1 n SER 5 Cb 0.00 -1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 62.83 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cx1 n GLU 6 N -2.78 -1.72 0.00 4.33 4.71 -1.26 -4.94 120.64 118.97 1cx1 n GLU 6 Ca 0.05 1.31 0.00 0.00 -0.01 0.00 0.00 57.16 58.51 1cx1 n GLU 6 Cb 0.38 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.53 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1cx1 n VAL 7 N -3.32 0.00 -2.74 2.62 0.31 -1.26 -4.99 118.33 108.94 1cx1 n VAL 7 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1cx1 n VAL 7 Cb 0.57 -0.55 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1cx1 n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1cx1 s GLU 8 N 3.11 0.21 0.30 5.55 2.12 -1.26 -4.77 118.70 123.96 1cx1 s GLU 8 Ca 0.00 -0.13 0.23 0.00 0.36 0.00 0.00 54.97 55.44 1cx1 s GLU 8 Cb 0.00 0.01 0.31 0.00 0.26 0.00 0.00 34.13 34.71 1cx1 s GLU 8 CO 0.00 -0.29 1.43 -0.07 -0.54 0.00 0.00 175.26 175.80 1cx1 h LEU 9 N 5.04 0.00 -6.88 2.70 3.38 -1.98 -3.39 115.31 114.17 1cx1 h LEU 9 Ca -0.02 -0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.31 1cx1 h LEU 9 Cb 1.21 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.56 1cx1 h LEU 9 CO -0.08 0.01 -0.75 -0.22 0.09 0.00 0.00 178.44 177.49 1cx1 s LEU 10 N -5.46 2.80 0.00 1.67 1.98 -1.26 -4.99 118.68 113.41 1cx1 s LEU 10 Ca 0.05 -2.92 0.00 0.00 -2.89 0.00 0.00 54.13 48.37 1cx1 s LEU 10 Cb 0.08 -1.02 0.00 0.00 0.66 0.00 0.00 46.19 45.92 1cx1 s LEU 10 CO 0.70 -0.22 0.04 -2.65 -1.89 0.00 0.00 176.35 172.33 1cx1 n PRO 11 N 3.14 0.00 -3.38 0.98 -0.02 -1.26 -4.44 135.00 130.01 1cx1 n PRO 11 Ca 0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.55 1cx1 n PRO 11 Cb 0.37 -1.17 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1cx1 s HIS 12 N 1.41 -0.89 -0.48 6.00 2.46 -1.26 -5.05 115.29 117.47 1cx1 s HIS 12 Ca 0.00 1.04 0.06 0.00 0.47 0.00 0.00 55.06 56.63 1cx1 s HIS 12 Cb 0.00 0.12 0.27 0.00 -0.13 0.00 0.00 32.58 32.85 1cx1 s HIS 12 CO 0.00 -0.69 0.99 -2.37 -2.47 0.00 0.00 174.74 170.19 1cx1 n THR 13 N 5.38 -0.00 -2.90 0.89 5.66 -1.26 -4.84 114.28 117.21 1cx1 n THR 13 Ca -0.04 -1.52 -0.13 0.00 -3.05 0.00 0.00 64.05 59.31 1cx1 n THR 13 Cb 0.50 1.49 0.02 0.00 -1.55 0.00 0.00 70.33 70.79 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 14 N 1.09 -1.60 -2.10 1.09 7.64 -1.26 -3.61 113.62 114.87 1cx1 n SER 14 Ca 0.08 -3.24 -0.01 0.00 1.01 0.00 0.00 58.87 56.71 1cx1 n SER 14 Cb 0.66 1.01 -0.01 0.00 -1.01 0.00 0.00 64.21 64.86 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1cx1 n PHE 15 N 1.07 0.00 0.00 1.43 3.01 0.18 -4.08 117.46 119.07 1cx1 n PHE 15 Ca 0.13 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1cx1 n PHE 15 Cb 0.63 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 n ALA 16 N 2.28 0.00 -1.61 4.37 0.00 -1.15 -2.04 120.51 122.36 1cx1 n ALA 16 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1cx1 n ALA 16 Cb 0.11 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.63 1cx1 n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cx1 n GLU 17 N -1.18 2.95 0.00 0.00 1.02 -1.26 -2.58 120.64 119.59 1cx1 n GLU 17 Ca 0.00 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 1cx1 n GLU 17 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1cx1 n GLU 17 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1cx1 n SER 18 N -0.87 0.00 -0.00 1.62 7.64 -1.26 -5.08 113.62 115.67 1cx1 n SER 18 Ca 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.40 1cx1 n SER 18 Cb 0.86 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1cx1 n SER 18 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1cx1 h LEU 19 N 0.00 0.00 0.00 -3.43 6.46 -1.93 -3.38 115.31 113.03 1cx1 h LEU 19 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cx1 h LEU 19 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1cx1 h LEU 19 CO 0.00 0.01 0.00 0.61 -0.62 0.00 0.00 178.44 178.44 1cx1 n GLY 20 N 1.82 -0.49 0.00 3.75 0.00 -1.26 -4.63 105.19 104.38 1cx1 n GLY 20 Ca -0.00 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.86 1cx1 n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cx1 n PRO 21 N -0.14 0.00 0.00 1.61 -0.04 -1.26 -4.78 135.00 130.39 1cx1 n PRO 21 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1cx1 n PRO 21 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1cx1 n PRO 21 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1cx1 n TRP 22 N -1.50 -2.13 -3.81 0.54 7.02 -1.26 -5.03 117.44 111.27 1cx1 n TRP 22 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1cx1 n TRP 22 Cb 0.18 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1cx1 n TRP 22 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1cx1 s SER 23 N -1.90 -0.06 -0.06 -0.99 0.01 -0.92 -5.02 113.70 104.76 1cx1 s SER 23 Ca 0.00 -0.60 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 1cx1 s SER 23 Cb 0.00 0.44 0.08 0.00 0.21 0.00 0.00 66.02 66.75 1cx1 s SER 23 CO 0.00 -0.86 0.71 -1.48 0.41 0.00 0.00 173.24 172.02 1cx1 s LEU 24 N -2.88 -0.63 -0.30 2.44 0.05 -1.26 -1.13 118.68 114.97 1cx1 s LEU 24 Ca 0.09 0.69 -0.20 0.00 0.05 0.00 0.00 54.13 54.76 1cx1 s LEU 24 Cb 0.03 2.48 0.20 0.00 -2.05 0.00 0.00 46.19 46.84 1cx1 s LEU 24 CO -0.07 -0.58 1.29 -0.72 -0.55 0.00 0.00 176.35 175.72 1cx1 s TYR 25 N -1.18 -0.12 0.00 3.48 1.13 -1.16 -5.01 117.35 114.49 1cx1 s TYR 25 Ca -0.10 0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 1cx1 s TYR 25 Cb -0.00 0.23 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1cx1 s TYR 25 CO 0.09 -0.06 0.00 0.41 -2.51 0.00 0.00 175.55 173.48 1cx1 n GLY 26 N 2.57 3.65 0.00 5.49 0.00 -1.26 -2.87 105.19 112.76 1cx1 n GLY 26 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N 0.00 0.00 -3.18 2.61 5.66 -1.26 -4.87 114.28 113.24 1cx1 n THR 27 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1cx1 n THR 27 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1cx1 n THR 27 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cx1 s SER 28 N 0.00 6.42 -0.35 1.09 1.04 -1.26 -4.95 113.70 115.69 1cx1 s SER 28 Ca 0.00 0.78 -0.36 0.00 0.48 0.00 0.00 55.95 56.85 1cx1 s SER 28 Cb 0.00 -2.17 -0.12 0.00 0.10 0.00 0.00 66.02 63.82 1cx1 s SER 28 CO 0.00 -0.29 2.15 -0.62 0.98 0.00 0.00 173.24 175.46 1cx1 n GLU 29 N -1.24 1.01 -0.76 4.02 -0.58 -1.26 -4.67 120.64 117.16 1cx1 n GLU 29 Ca -0.01 0.29 -0.31 0.00 -0.42 0.00 0.00 57.16 56.70 1cx1 n GLU 29 Cb 0.54 -2.36 0.12 0.00 -0.57 0.00 0.00 31.44 29.17 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1cx1 n PRO 30 N 7.92 -1.13 -3.41 3.49 -0.02 -1.26 -4.97 135.00 135.62 1cx1 n PRO 30 Ca 0.41 -0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.44 1cx1 n PRO 30 Cb 0.20 -1.41 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1cx1 n PRO 30 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 31 N -2.12 -0.48 -1.08 -1.45 1.01 -1.04 -4.93 120.40 110.31 1cx1 s VAL 31 Ca 0.44 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1cx1 s VAL 31 Cb -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 31 CO 0.59 -0.17 1.78 0.72 0.00 0.00 0.00 175.10 178.02 1cx1 s PHE 32 N 2.45 2.21 0.00 5.22 -0.12 -1.26 -2.95 117.98 123.53 1cx1 s PHE 32 Ca 0.10 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1cx1 s PHE 32 Cb -0.16 -4.33 0.00 0.00 -0.63 0.00 0.00 43.02 37.91 1cx1 s PHE 32 CO -0.15 -1.66 0.00 0.00 -0.05 0.00 0.00 175.22 173.36 1cx1 n ALA 33 N 11.79 0.00 0.12 1.99 0.00 0.21 -4.69 120.51 129.93 1cx1 n ALA 33 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1cx1 n ALA 33 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 1cx1 n ALA 33 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1cx1 h ASP 34 N 0.00 -1.15 -0.33 0.00 2.03 -1.92 -3.38 116.42 111.68 1cx1 h ASP 34 Ca 0.00 0.13 -0.24 0.00 -0.73 0.00 0.00 57.03 56.19 1cx1 h ASP 34 Cb 0.00 0.43 -0.27 0.00 -0.83 0.00 0.00 39.33 38.66 1cx1 h ASP 34 CO 0.00 -0.47 -0.71 0.61 -1.03 0.00 0.00 179.24 177.63 1cx1 n GLY 35 N -1.46 1.70 3.60 7.15 0.00 -1.26 -4.48 105.19 110.44 1cx1 n GLY 35 Ca -0.07 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N -1.60 0.72 -0.19 1.61 1.70 -1.07 -4.32 118.95 115.80 1cx1 s ARG 36 Ca 0.21 0.55 -0.03 0.00 -0.47 0.00 0.00 55.73 55.98 1cx1 s ARG 36 Cb 0.41 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 35.11 1cx1 s ARG 36 CO -0.06 -0.15 -0.05 1.41 -1.08 0.00 0.00 175.30 175.38 1cx1 s MET 37 N -0.28 3.50 0.23 3.89 -2.45 0.56 0.68 119.30 125.42 1cx1 s MET 37 Ca -0.01 -0.59 0.10 0.00 -1.25 0.00 0.00 55.69 53.94 1cx1 s MET 37 Cb -0.03 -2.94 -0.05 0.00 1.25 0.00 0.00 34.83 33.06 1cx1 s MET 37 CO 0.00 0.01 -0.19 0.00 1.05 0.00 0.00 175.02 175.89 1cx1 s VAL 39 N -2.35 0.39 -0.14 0.00 -7.23 -0.69 -2.50 120.40 107.89 1cx1 s VAL 39 Ca 0.24 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1cx1 s VAL 39 Cb -0.05 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 1cx1 s VAL 39 CO 0.11 -0.25 1.23 -1.81 -0.31 0.00 0.00 175.10 174.07 1cx1 s ASP 40 N -1.08 6.98 -0.30 4.85 1.11 -1.26 -3.08 116.67 123.89 1cx1 s ASP 40 Ca -0.07 1.70 0.07 0.00 0.18 0.00 0.00 52.55 54.43 1cx1 s ASP 40 Cb -0.07 -2.54 0.46 0.00 1.07 0.00 0.00 42.92 41.83 1cx1 s ASP 40 CO -0.00 -0.71 1.29 0.18 1.18 0.00 0.00 175.17 177.11 1cx1 n LEU 41 N 6.22 4.56 0.00 1.23 7.99 0.27 -4.21 117.00 133.05 1cx1 n LEU 41 Ca 0.13 -4.43 0.00 0.00 -0.01 0.00 0.00 56.01 51.70 1cx1 n LEU 41 Cb 0.45 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1cx1 n LEU 41 CO 0.55 1.82 0.00 -0.81 -1.51 0.00 0.00 177.39 177.44 1cx1 n PRO 42 N -0.86 0.00 0.00 3.23 -0.04 -1.07 -1.24 135.00 135.01 1cx1 n PRO 42 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1cx1 n PRO 42 Cb 0.89 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.35 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 43 N 3.58 1.44 0.00 0.55 0.00 -1.26 -4.40 105.19 105.10 1cx1 n GLY 43 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1cx1 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 44 N 0.00 -1.18 3.39 -0.02 0.00 -1.26 -5.05 105.19 101.06 1cx1 n GLY 44 Ca 0.00 0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 1cx1 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cx1 s GLN 45 N 0.00 2.99 0.00 1.61 -0.21 -1.26 -4.58 119.66 118.21 1cx1 s GLN 45 Ca 0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 55.36 54.03 1cx1 s GLN 45 Cb 0.00 -4.15 -0.01 0.00 1.00 0.00 0.00 33.01 29.85 1cx1 s GLN 45 CO 0.00 -1.07 1.82 0.41 -2.12 0.00 0.00 175.29 174.33 1cx1 n GLY 46 N 5.21 2.28 3.17 3.09 0.00 -1.26 0.45 105.19 118.12 1cx1 n GLY 46 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1cx1 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s ASN 47 N 2.01 -1.44 0.34 1.61 4.22 -1.26 -4.76 114.94 115.66 1cx1 s ASN 47 Ca 0.02 -0.53 0.11 0.00 -2.14 0.00 0.00 52.86 50.33 1cx1 s ASN 47 Cb 0.01 1.92 0.91 0.00 1.28 0.00 0.00 41.25 45.37 1cx1 s ASN 47 CO 0.00 -0.21 1.76 -0.65 -2.04 0.00 0.00 177.10 175.96 1cx1 h PRO 48 N 7.31 0.56 -2.88 3.55 0.11 -1.70 -3.04 132.00 135.91 1cx1 h PRO 48 Ca 0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1cx1 h PRO 48 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1cx1 h PRO 48 CO 0.12 0.37 0.39 -2.67 -0.21 0.00 0.00 178.00 176.00 1cx1 n TRP 49 N -4.76 0.00 -1.65 0.65 2.14 -1.26 -2.36 117.44 110.21 1cx1 n TRP 49 Ca 0.25 -0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1cx1 n TRP 49 Cb 0.73 -0.56 0.00 0.00 -0.81 0.00 0.00 31.31 30.66 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1cx1 n ASP 50 N 2.95 0.00 0.00 -0.67 9.92 -1.15 -5.12 116.55 122.49 1cx1 n ASP 50 Ca 0.06 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1cx1 n ASP 50 Cb 0.12 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 51 N 0.00 0.00 0.00 2.24 0.00 -0.99 -4.75 120.51 117.00 1cx1 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1cx1 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 52 N -0.24 0.89 2.84 0.00 0.00 -1.14 -4.15 105.19 103.39 1cx1 n GLY 52 Ca 0.00 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cx1 n LEU 53 N 0.00 0.00 -3.45 0.99 4.77 -1.02 -3.01 117.00 115.28 1cx1 n LEU 53 Ca 0.00 -1.27 -0.11 0.00 -0.03 0.00 0.00 56.01 54.60 1cx1 n LEU 53 Cb 0.00 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 1cx1 n LEU 53 CO 0.00 -1.05 0.49 0.54 -1.33 0.00 0.00 177.39 176.03 1cx1 s VAL 54 N -2.75 0.00 0.00 4.08 0.11 -0.29 -2.63 120.40 118.93 1cx1 s VAL 54 Ca 0.52 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1cx1 s VAL 54 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1cx1 s VAL 54 CO 0.36 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.13 1cx1 n TYR 55 N -0.27 0.00 -3.08 1.54 9.36 -0.45 -2.16 117.16 122.10 1cx1 n TYR 55 Ca -0.15 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.05 1cx1 n TYR 55 Cb 0.64 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.35 1cx1 n TYR 55 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1cx1 n ASN 56 N 0.00 0.40 -1.43 2.98 5.03 -1.26 -1.06 115.26 119.91 1cx1 n ASN 56 Ca 0.00 -1.20 0.00 0.00 0.87 0.00 0.00 54.58 54.25 1cx1 n ASN 56 Cb 0.00 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1cx1 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cx1 n GLY 57 N 4.11 -0.34 2.74 7.41 0.00 -1.26 -4.89 105.19 112.97 1cx1 n GLY 57 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1cx1 n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cx1 n VAL 58 N -0.85 0.00 -1.47 1.61 0.24 -1.26 -4.93 118.33 111.68 1cx1 n VAL 58 Ca 0.00 -1.40 -0.39 0.00 -2.04 0.00 0.00 64.34 60.50 1cx1 n VAL 58 Cb 0.37 1.45 0.03 0.00 -1.47 0.00 0.00 33.84 34.22 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1cx1 n PRO 59 N 1.40 0.56 -3.82 7.34 -0.02 -1.26 -4.75 135.00 134.45 1cx1 n PRO 59 Ca 0.07 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1cx1 n PRO 59 Cb 0.65 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 1cx1 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 60 N -1.64 1.26 -0.33 -1.45 1.01 -1.15 -5.01 120.40 113.08 1cx1 s VAL 60 Ca 0.67 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1cx1 s VAL 60 Cb -0.49 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1cx1 s VAL 60 CO 0.56 -0.60 0.55 -0.83 0.00 0.00 0.00 175.10 174.78 1cx1 s GLY 61 N 1.43 1.80 0.54 4.51 0.00 -1.26 -1.75 107.32 112.59 1cx1 s GLY 61 Ca 0.09 -0.87 -0.19 0.00 0.00 0.00 0.00 44.72 43.75 1cx1 s GLY 61 CO -0.19 1.33 0.47 -2.21 0.00 0.00 0.00 173.10 172.50 1cx1 n GLU 62 N 5.79 0.48 0.00 2.90 0.00 0.78 -1.65 120.64 128.95 1cx1 n GLU 62 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1cx1 n GLU 62 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.33 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 63 N 1.85 3.12 3.95 8.31 0.00 0.23 -4.93 105.19 117.72 1cx1 n GLY 63 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1cx1 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cx1 s GLU 64 N -0.38 3.06 -0.03 1.61 0.41 -0.66 -4.79 118.70 117.92 1cx1 s GLU 64 Ca 0.00 -1.05 0.03 0.00 -0.41 0.00 0.00 54.97 53.53 1cx1 s GLU 64 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1cx1 s GLU 64 CO 0.00 0.11 -0.10 -1.12 -0.49 0.00 0.00 175.26 173.66 1cx1 s SER 65 N -4.11 1.35 0.55 -0.19 0.01 -1.26 0.43 113.70 110.48 1cx1 s SER 65 Ca 0.43 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.55 1cx1 s SER 65 Cb -0.09 -0.39 0.06 0.00 0.21 0.00 0.00 66.02 65.82 1cx1 s SER 65 CO 0.30 0.07 0.57 -0.31 0.41 0.00 0.00 173.24 174.28 1cx1 s TYR 66 N 0.22 1.58 0.00 2.43 1.51 -0.94 -4.53 117.35 117.62 1cx1 s TYR 66 Ca -0.04 -0.77 -0.18 0.00 -1.01 0.00 0.00 57.07 55.07 1cx1 s TYR 66 Cb -0.09 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1cx1 s TYR 66 CO 0.01 -0.76 0.39 0.08 -1.11 0.00 0.00 175.55 174.16 1cx1 s VAL 67 N -2.71 0.05 -0.08 0.71 1.01 -0.12 -2.54 120.40 116.73 1cx1 s VAL 67 Ca 0.47 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1cx1 s VAL 67 Cb -0.04 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 67 CO 0.29 -0.23 0.03 -0.22 0.00 0.00 0.00 175.10 174.97 1cx1 s LEU 68 N -1.57 0.43 -0.92 3.92 2.96 -1.05 -2.83 118.68 119.62 1cx1 s LEU 68 Ca -0.10 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1cx1 s LEU 68 Cb -0.03 -0.32 0.23 0.00 0.50 0.00 0.00 46.19 46.58 1cx1 s LEU 68 CO 0.03 -0.24 0.86 -0.24 -1.32 0.00 0.00 176.35 175.44 1cx1 n SER 69 N 5.21 4.44 -4.87 3.68 2.88 -1.11 -2.89 113.62 120.95 1cx1 n SER 69 Ca -0.06 -3.17 -0.34 0.00 -1.33 0.00 0.00 58.87 53.98 1cx1 n SER 69 Cb 0.50 -1.07 -0.05 0.00 -0.75 0.00 0.00 64.21 62.84 1cx1 n SER 69 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1cx1 s PHE 70 N -1.55 3.56 -0.06 0.66 -0.12 -1.11 -2.99 117.98 116.37 1cx1 s PHE 70 Ca 0.29 0.77 -0.17 0.00 -0.05 0.00 0.00 56.93 57.76 1cx1 s PHE 70 Cb -0.05 -2.15 -0.05 0.00 -0.63 0.00 0.00 43.02 40.14 1cx1 s PHE 70 CO -0.10 0.49 0.47 0.95 -0.05 0.00 0.00 175.22 176.99 1cx1 s THR 71 N -1.45 5.07 -0.30 -4.49 -4.23 -0.70 -1.27 115.64 108.27 1cx1 s THR 71 Ca 0.35 0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 61.76 1cx1 s THR 71 Cb -0.14 -3.80 0.17 0.00 1.34 0.00 0.00 72.50 70.07 1cx1 s THR 71 CO 0.19 0.43 0.75 0.00 -0.54 0.00 0.00 174.62 175.45 1cx1 s ALA 72 N -0.11 -2.51 -0.24 3.99 0.00 -1.17 -3.46 121.76 118.25 1cx1 s ALA 72 Ca 0.26 1.89 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 1cx1 s ALA 72 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1cx1 s ALA 72 CO 0.13 -1.23 0.11 -1.54 0.00 0.00 0.00 175.76 173.23 1cx1 s SER 73 N 2.83 5.56 -0.06 0.00 1.04 -0.83 -4.52 113.70 117.72 1cx1 s SER 73 Ca 0.08 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.29 1cx1 s SER 73 Cb -0.12 -2.00 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1cx1 s SER 73 CO -0.18 0.02 0.41 0.00 0.98 0.00 0.00 173.24 174.46 1cx1 s ALA 74 N 1.34 3.61 -0.15 5.32 0.00 -0.92 -2.73 121.76 128.22 1cx1 s ALA 74 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1cx1 s ALA 74 Cb -0.15 -2.47 0.06 0.00 0.00 0.00 0.00 23.12 20.57 1cx1 s ALA 74 CO 0.05 0.27 0.12 0.95 0.00 0.00 0.00 175.76 177.15 1cx1 s THR 75 N -0.32 -0.15 0.00 0.00 -4.23 -1.16 -2.00 115.64 107.78 1cx1 s THR 75 Ca 0.23 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1cx1 s THR 75 Cb -0.16 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1cx1 s THR 75 CO 0.11 -0.17 0.00 -2.65 -0.54 0.00 0.00 174.62 171.37 1cx1 n PRO 76 N 5.29 3.01 -4.03 3.99 -0.02 -1.26 -1.80 135.00 140.18 1cx1 n PRO 76 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 1cx1 n PRO 76 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.91 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s ASP 77 N -1.80 5.68 0.00 2.55 1.01 -1.26 -4.47 116.67 118.39 1cx1 s ASP 77 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.29 1cx1 s ASP 77 Cb 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1cx1 s ASP 77 CO 0.00 0.16 0.00 1.15 0.21 0.00 0.00 175.17 176.69 1cx1 n MET 78 N 0.31 0.00 -2.57 8.23 0.00 -0.93 -5.02 117.12 117.13 1cx1 n MET 78 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.22 1cx1 n MET 78 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.69 1cx1 n MET 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1cx1 s PRO 79 N -2.00 4.66 0.53 3.17 0.04 -1.26 -2.99 135.00 137.16 1cx1 s PRO 79 Ca 0.00 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1cx1 s PRO 79 Cb 0.00 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.43 1cx1 s PRO 79 CO 0.00 0.27 0.32 1.33 0.04 0.00 0.00 177.00 178.97 1cx1 n VAL 80 N 1.14 0.00 -4.31 -0.36 0.24 0.41 -4.92 118.33 110.53 1cx1 n VAL 80 Ca -0.01 -2.19 -0.24 0.00 -2.04 0.00 0.00 64.34 59.86 1cx1 n VAL 80 Cb 0.46 0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 1cx1 n VAL 80 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1cx1 s ARG 81 N -4.14 1.20 0.04 7.34 0.52 0.24 -3.03 118.95 121.12 1cx1 s ARG 81 Ca 0.25 -1.25 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 1cx1 s ARG 81 Cb -0.02 -1.46 0.04 0.00 0.52 0.00 0.00 34.95 34.03 1cx1 s ARG 81 CO 0.16 0.33 0.45 0.54 0.02 0.00 0.00 175.30 176.80 1cx1 s VAL 82 N -1.35 0.04 -0.13 3.52 0.11 -1.24 0.29 120.40 121.65 1cx1 s VAL 82 Ca 0.10 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.63 1cx1 s VAL 82 Cb -0.09 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1cx1 s VAL 82 CO 0.05 -0.20 0.40 -1.48 -3.33 0.00 0.00 175.10 170.53 1cx1 s LEU 83 N -1.96 0.49 -0.08 2.54 0.05 -1.12 -3.80 118.68 114.80 1cx1 s LEU 83 Ca -0.06 0.69 -0.19 0.00 0.05 0.00 0.00 54.13 54.62 1cx1 s LEU 83 Cb -0.01 1.40 0.04 0.00 -2.05 0.00 0.00 46.19 45.57 1cx1 s LEU 83 CO -0.02 -0.20 0.46 -0.69 -0.55 0.00 0.00 176.35 175.35 1cx1 s VAL 84 N -0.08 0.02 0.00 1.48 1.01 -0.97 -2.59 120.40 119.27 1cx1 s VAL 84 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1cx1 s VAL 84 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1cx1 s VAL 84 CO 0.01 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1cx1 n GLY 85 N 1.75 0.23 3.76 4.51 0.00 -0.96 -2.66 105.19 111.83 1cx1 n GLY 85 Ca -0.18 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cx1 s GLU 86 N -0.42 4.26 -0.52 1.61 -1.05 -1.26 -2.02 118.70 119.30 1cx1 s GLU 86 Ca 0.00 0.61 -0.01 0.00 -0.15 0.00 0.00 54.97 55.41 1cx1 s GLU 86 Cb 0.00 -3.35 0.14 0.00 -0.44 0.00 0.00 34.13 30.48 1cx1 s GLU 86 CO 0.00 0.36 0.31 0.20 0.95 0.00 0.00 175.26 177.08 1cx1 s GLY 87 N -0.09 2.30 0.00 -3.83 0.00 -1.24 -4.61 107.32 99.85 1cx1 s GLY 87 Ca 0.29 -2.99 0.00 0.00 0.00 0.00 0.00 44.72 42.01 1cx1 s GLY 87 CO 0.15 1.05 0.00 0.61 0.00 0.00 0.00 173.10 174.91 1cx1 n GLY 88 N 3.82 1.80 3.04 0.20 0.00 -1.26 -4.57 105.19 108.21 1cx1 n GLY 88 Ca 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 1cx1 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 89 N 0.00 -0.54 1.31 -0.02 0.00 -1.26 -4.63 105.19 100.06 1cx1 n GLY 89 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cx1 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cx1 n ALA 90 N 2.39 -2.62 0.00 4.61 0.00 -1.26 -4.83 120.51 118.80 1cx1 n ALA 90 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1cx1 n ALA 90 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cx1 n TYR 91 N -0.44 0.00 -0.98 0.00 4.01 -1.26 -4.79 117.16 113.71 1cx1 n TYR 91 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1cx1 n TYR 91 Cb 0.00 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1cx1 n TYR 91 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1cx1 n ARG 92 N -1.10 0.00 -0.78 -0.72 1.85 -1.26 -4.67 116.66 109.98 1cx1 n ARG 92 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1cx1 n ARG 92 Cb 0.00 -0.79 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 1cx1 n ARG 92 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1cx1 n THR 93 N -1.21 0.00 -0.03 8.89 5.66 -1.26 -4.22 114.28 122.11 1cx1 n THR 93 Ca 0.06 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1cx1 n THR 93 Cb 0.37 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.07 1cx1 n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cx1 n ALA 94 N -3.00 2.04 -0.68 1.79 0.00 -1.26 -4.47 120.51 114.93 1cx1 n ALA 94 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 1cx1 n ALA 94 Cb 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 19.45 19.36 1cx1 n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cx1 n PHE 95 N -2.17 1.77 -1.05 0.00 -0.00 -1.09 -4.56 117.46 110.36 1cx1 n PHE 95 Ca -0.10 -1.78 -0.18 0.00 -0.00 0.00 0.00 57.45 55.38 1cx1 n PHE 95 Cb 0.60 -0.88 -0.01 0.00 -0.00 0.00 0.00 39.48 39.19 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1cx1 n GLU 96 N -0.08 1.94 -3.64 -4.13 4.07 -1.26 -2.28 120.64 115.25 1cx1 n GLU 96 Ca 0.35 -1.62 -0.39 0.00 -0.06 0.00 0.00 57.16 55.44 1cx1 n GLU 96 Cb 0.82 -1.76 -0.12 0.00 -0.06 0.00 0.00 31.44 30.32 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1cx1 s GLN 97 N -1.37 3.22 -0.09 5.31 0.74 -1.25 -4.93 119.66 121.30 1cx1 s GLN 97 Ca 0.40 -0.80 0.17 0.00 0.05 0.00 0.00 55.36 55.19 1cx1 s GLN 97 Cb 0.27 -3.60 0.62 0.00 1.10 0.00 0.00 33.01 31.40 1cx1 s GLN 97 CO -0.07 -0.48 1.53 0.41 -0.55 0.00 0.00 175.29 176.13 1cx1 n GLY 98 N 4.98 2.88 2.67 2.59 0.00 -1.26 -3.71 105.19 113.35 1cx1 n GLY 98 Ca -0.13 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1cx1 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cx1 n SER 99 N 0.89 6.93 -4.26 1.61 7.64 -1.26 -3.93 113.62 121.24 1cx1 n SER 99 Ca 0.23 -3.25 -0.42 0.00 1.01 0.00 0.00 58.87 56.44 1cx1 n SER 99 Cb 0.78 -1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.54 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 100 N -1.39 3.44 -0.17 -0.43 0.00 -1.17 -4.95 121.76 117.08 1cx1 s ALA 100 Ca 0.45 -2.39 -0.29 0.00 0.00 0.00 0.00 51.96 49.72 1cx1 s ALA 100 Cb 0.14 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 1cx1 s ALA 100 CO -0.05 -1.84 1.10 -1.25 0.00 0.00 0.00 175.76 173.71 1cx1 s PRO 101 N 1.45 4.30 -0.07 0.00 0.04 -1.26 -0.44 135.00 139.02 1cx1 s PRO 101 Ca 0.04 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.57 1cx1 s PRO 101 Cb -0.26 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.66 1cx1 s PRO 101 CO 0.01 -0.56 -0.14 -0.51 0.04 0.00 0.00 177.00 175.85 1cx1 s LEU 102 N 2.89 1.73 0.00 -3.56 1.43 -1.16 -4.98 118.68 115.02 1cx1 s LEU 102 Ca 0.48 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1cx1 s LEU 102 Cb -0.18 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1cx1 s LEU 102 CO 0.12 0.06 0.01 1.07 0.23 0.00 0.00 176.35 177.84 1cx1 n THR 103 N 3.73 0.00 0.34 5.49 5.66 -1.26 -2.20 114.28 126.04 1cx1 n THR 103 Ca -0.22 -2.44 0.00 0.00 -3.05 0.00 0.00 64.05 58.34 1cx1 n THR 103 Cb 0.52 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N -1.20 0.58 3.11 1.09 0.00 -0.85 -2.17 105.19 105.75 1cx1 n GLY 104 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1cx1 n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cx1 s GLU 105 N -0.33 2.45 -0.30 1.61 -6.30 -1.26 -4.95 118.70 109.62 1cx1 s GLU 105 Ca 0.00 -2.34 -0.40 0.00 -2.50 0.00 0.00 54.97 49.73 1cx1 s GLU 105 Cb 0.00 -3.72 -0.15 0.00 0.00 0.00 0.00 34.13 30.26 1cx1 s GLU 105 CO 0.00 -1.15 1.81 -2.30 0.02 0.00 0.00 175.26 173.64 1cx1 n PRO 106 N 3.80 1.08 -3.56 4.30 -0.02 -1.26 -4.85 135.00 134.48 1cx1 n PRO 106 Ca 0.05 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1cx1 n PRO 106 Cb 0.39 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cx1 s ALA 107 N 4.09 -1.75 0.16 3.55 0.00 -1.26 -5.03 121.76 121.52 1cx1 s ALA 107 Ca 1.01 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 1cx1 s ALA 107 Cb -1.07 0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 1cx1 s ALA 107 CO 0.64 -0.78 0.52 0.95 0.00 0.00 0.00 175.76 177.09 1cx1 s THR 108 N -3.25 4.93 -0.11 0.00 -4.23 -1.26 -3.04 115.64 108.67 1cx1 s THR 108 Ca 0.06 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1cx1 s THR 108 Cb -0.01 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1cx1 s THR 108 CO -0.07 0.14 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.98 1cx1 s ARG 109 N -2.24 3.23 -0.38 3.99 3.00 -0.40 -4.88 118.95 121.28 1cx1 s ARG 109 Ca 0.40 -0.53 -0.02 0.00 0.00 0.00 0.00 55.73 55.58 1cx1 s ARG 109 Cb -0.14 -2.76 0.09 0.00 0.00 0.00 0.00 34.95 32.15 1cx1 s ARG 109 CO 0.20 0.45 0.14 -1.21 0.00 0.00 0.00 175.30 174.87 1cx1 s GLU 110 N -0.22 2.03 -0.21 3.54 8.01 -1.24 -2.74 118.70 127.86 1cx1 s GLU 110 Ca 0.03 -1.70 -0.05 0.00 0.01 0.00 0.00 54.97 53.26 1cx1 s GLU 110 Cb -0.13 -3.45 -0.02 0.00 -4.31 0.00 0.00 34.13 26.23 1cx1 s GLU 110 CO 0.02 -0.95 -0.01 0.71 0.01 0.00 0.00 175.26 175.04 1cx1 s TYR 111 N 1.14 3.00 -0.09 1.61 2.02 -1.14 -4.88 117.35 119.01 1cx1 s TYR 111 Ca 0.06 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1cx1 s TYR 111 Cb -0.22 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1cx1 s TYR 111 CO -0.04 -0.40 -0.18 0.00 -1.57 0.00 0.00 175.55 173.36 1cx1 s ALA 112 N 1.29 2.43 0.33 3.71 0.00 -1.26 -2.54 121.76 125.73 1cx1 s ALA 112 Ca 0.04 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.13 1cx1 s ALA 112 Cb -0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 1cx1 s ALA 112 CO 0.00 0.37 -0.07 -0.59 0.00 0.00 0.00 175.76 175.48 1cx1 s PHE 113 N -0.04 2.45 -0.43 0.00 -0.71 -1.05 -4.94 117.98 113.26 1cx1 s PHE 113 Ca -0.05 -0.44 -0.11 0.00 -1.04 0.00 0.00 56.93 55.29 1cx1 s PHE 113 Cb -0.14 -1.36 0.08 0.00 -1.21 0.00 0.00 43.02 40.38 1cx1 s PHE 113 CO 0.04 0.56 0.30 0.95 -1.34 0.00 0.00 175.22 175.74 1cx1 s THR 114 N -2.55 4.51 -0.49 -4.49 -4.23 -1.26 -2.22 115.64 104.91 1cx1 s THR 114 Ca 0.33 -1.31 -0.33 0.00 -1.18 0.00 0.00 61.69 59.20 1cx1 s THR 114 Cb 0.00 -3.74 -0.16 0.00 1.34 0.00 0.00 72.50 69.94 1cx1 s THR 114 CO 0.17 -0.53 1.80 -1.54 -0.54 0.00 0.00 174.62 173.99 1cx1 n SER 115 N 5.00 0.52 -0.08 3.99 3.41 1.49 -4.76 113.62 123.19 1cx1 n SER 115 Ca -0.11 0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1cx1 n SER 115 Cb 0.43 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 1cx1 n SER 115 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1cx1 h ASN 116 N 7.70 0.00 -1.24 4.04 -1.24 -1.87 0.67 115.58 123.64 1cx1 h ASN 116 Ca -0.07 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1cx1 h ASN 116 Cb 1.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1cx1 h ASN 116 CO 0.92 0.97 0.00 -0.11 -1.29 0.00 0.00 177.43 177.92 1cx1 n LEU 117 N -4.59 0.00 -4.47 0.34 0.00 -1.26 -4.51 117.00 102.51 1cx1 n LEU 117 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.58 1cx1 n LEU 117 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.68 1cx1 n LEU 117 CO 0.15 0.00 -0.51 0.42 0.00 0.00 0.00 177.39 177.46 1cx1 s THR 118 N 1.57 2.70 -0.48 1.96 -4.23 -1.26 -0.15 115.64 115.75 1cx1 s THR 118 Ca 0.00 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1cx1 s THR 118 Cb 0.00 -2.24 0.22 0.00 1.34 0.00 0.00 72.50 71.82 1cx1 s THR 118 CO 0.00 0.07 0.88 0.49 -0.54 0.00 0.00 174.62 175.52 1cx1 n PHE 119 N 0.74 -3.12 -0.64 3.99 3.72 -0.71 -4.97 117.46 116.46 1cx1 n PHE 119 Ca -0.16 -1.46 -0.31 0.00 -0.05 0.00 0.00 57.45 55.47 1cx1 n PHE 119 Cb 0.53 1.47 0.19 0.00 -0.94 0.00 0.00 39.48 40.73 1cx1 n PHE 119 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1cx1 n PRO 120 N 2.12 -1.61 0.12 -1.08 -0.02 -1.26 -2.93 135.00 130.34 1cx1 n PRO 120 Ca 0.11 -0.45 0.13 0.00 -2.02 0.00 0.00 63.50 61.28 1cx1 n PRO 120 Cb 0.61 -1.86 0.35 0.00 -0.02 0.00 0.00 33.50 32.59 1cx1 n PRO 120 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1cx1 h PRO 121 N -2.16 0.00 0.00 0.52 0.13 -1.89 -3.42 132.00 125.18 1cx1 h PRO 121 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1cx1 h PRO 121 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1cx1 h PRO 121 CO 0.41 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.78 1cx1 n ASP 122 N -2.39 0.00 0.00 1.44 5.75 -1.26 -3.50 116.55 116.59 1cx1 n ASP 122 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1cx1 n ASP 122 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cx1 n GLY 123 N 5.00 1.55 0.00 6.12 0.00 -1.26 -3.56 105.19 113.04 1cx1 n GLY 123 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cx1 n ASP 124 N 2.82 0.00 -4.89 1.61 8.00 -1.26 -4.97 116.55 117.86 1cx1 n ASP 124 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1cx1 n ASP 124 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 s ALA 125 N -3.78 3.85 1.00 2.24 0.00 -1.23 -5.11 121.76 118.73 1cx1 s ALA 125 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1cx1 s ALA 125 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1cx1 s ALA 125 CO 0.00 0.65 0.00 -0.35 0.00 0.00 0.00 175.76 176.06 1cx1 n PRO 126 N -0.11 1.31 -1.70 0.00 -0.04 -1.23 -4.55 135.00 128.68 1cx1 n PRO 126 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 1cx1 n PRO 126 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 127 N -0.81 1.63 -0.06 0.55 0.00 -1.26 -3.61 107.32 103.76 1cx1 s GLY 127 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 1cx1 s GLY 127 CO 0.00 0.15 0.12 -0.86 0.00 0.00 0.00 173.10 172.51 1cx1 s GLN 128 N -5.23 0.03 -0.36 2.90 1.03 -0.86 -4.02 119.66 113.15 1cx1 s GLN 128 Ca 0.59 0.39 0.00 0.00 0.04 0.00 0.00 55.36 56.38 1cx1 s GLN 128 Cb -0.13 -0.26 0.14 0.00 0.03 0.00 0.00 33.01 32.79 1cx1 s GLN 128 CO 0.53 -0.22 0.21 0.08 -2.54 0.00 0.00 175.29 173.35 1cx1 s VAL 129 N 1.56 0.24 -0.20 3.63 1.01 -0.22 -2.25 120.40 124.17 1cx1 s VAL 129 Ca -0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 61.98 60.15 1cx1 s VAL 129 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1cx1 s VAL 129 CO -0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 175.10 174.01 1cx1 s ALA 130 N 1.03 2.76 -0.30 5.51 0.00 -1.07 -1.34 121.76 128.35 1cx1 s ALA 130 Ca 0.18 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 1cx1 s ALA 130 Cb -0.23 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1cx1 s ALA 130 CO 0.00 -0.28 0.89 -0.06 0.00 0.00 0.00 175.76 176.31 1cx1 s PHE 131 N 1.22 3.20 -0.29 0.00 0.40 -1.08 -2.78 117.98 118.66 1cx1 s PHE 131 Ca 0.03 0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 57.21 1cx1 s PHE 131 Cb -0.14 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 39.98 1cx1 s PHE 131 CO -0.02 -0.62 0.22 -1.01 0.70 0.00 0.00 175.22 174.49 1cx1 s HIS 132 N 3.18 3.22 0.00 0.36 3.76 0.15 -2.43 115.29 123.53 1cx1 s HIS 132 Ca 0.37 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1cx1 s HIS 132 Cb -0.14 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.14 1cx1 s HIS 132 CO 0.13 -0.20 0.08 1.28 -0.85 0.00 0.00 174.74 175.18 1cx1 n LEU 133 N 5.10 0.16 -4.74 0.89 4.32 -1.26 0.82 117.00 122.28 1cx1 n LEU 133 Ca -0.13 -0.16 -0.41 0.00 -0.02 0.00 0.00 56.01 55.28 1cx1 n LEU 133 Cb 0.52 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 1cx1 n LEU 133 CO 0.34 0.04 1.06 -0.83 -1.22 0.00 0.00 177.39 176.78 1cx1 s GLY 134 N -0.02 2.39 -0.29 -0.72 0.00 -1.26 -4.75 107.32 102.67 1cx1 s GLY 134 Ca 0.00 1.25 -0.16 0.00 0.00 0.00 0.00 44.72 45.82 1cx1 s GLY 134 CO 0.00 2.20 0.90 0.54 0.00 0.00 0.00 173.10 176.74 1cx1 s LYS 135 N -0.34 0.46 0.58 2.90 1.02 -1.13 -2.57 119.74 120.66 1cx1 s LYS 135 Ca 0.58 0.83 0.31 0.00 0.02 0.00 0.00 55.97 57.70 1cx1 s LYS 135 Cb -0.40 0.14 1.37 0.00 -0.52 0.00 0.00 37.83 38.42 1cx1 s LYS 135 CO 0.42 -0.10 1.72 0.00 -0.92 0.00 0.00 175.35 176.47 1cx1 h ALA 136 N 6.45 2.63 -0.56 5.17 0.00 0.94 5.08 119.26 138.97 1cx1 h ALA 136 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cx1 h ALA 136 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1cx1 h ALA 136 CO 0.18 -1.19 0.00 0.41 0.00 0.00 0.00 179.25 178.65 1cx1 n GLY 137 N -1.63 2.77 0.00 0.00 0.00 -1.26 -4.44 105.19 100.62 1cx1 n GLY 137 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1cx1 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cx1 n ALA 138 N 1.02 0.00 0.00 4.61 0.00 1.66 -5.03 120.51 122.76 1cx1 n ALA 138 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1cx1 n ALA 138 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1cx1 n ALA 138 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1cx1 n TYR 139 N -0.02 0.00 -4.78 0.00 0.18 -0.37 -4.89 117.16 107.28 1cx1 n TYR 139 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1cx1 n TYR 139 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 1cx1 n TYR 139 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1cx1 s GLU 140 N 0.00 1.54 -0.13 -3.48 2.02 -0.75 -0.57 118.70 117.33 1cx1 s GLU 140 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1cx1 s GLU 140 Cb 0.00 -1.62 0.02 0.00 0.10 0.00 0.00 34.13 32.64 1cx1 s GLU 140 CO 0.00 0.42 -0.12 0.12 0.02 0.00 0.00 175.26 175.70 1cx1 s PHE 141 N -0.73 1.92 -0.40 1.61 5.36 -1.18 -3.01 117.98 121.56 1cx1 s PHE 141 Ca 0.08 -1.03 0.03 0.00 -0.96 0.00 0.00 56.93 55.05 1cx1 s PHE 141 Cb -0.09 -1.46 0.11 0.00 -0.34 0.00 0.00 43.02 41.24 1cx1 s PHE 141 CO 0.01 -0.60 0.13 0.00 -1.46 0.00 0.00 175.22 173.30 1cx1 s ILE 143 N 0.60 4.39 0.00 0.00 2.07 -0.12 -1.97 121.20 126.18 1cx1 s ILE 143 Ca 0.12 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1cx1 s ILE 143 Cb -0.21 -2.89 0.00 0.00 0.13 0.00 0.00 42.46 39.49 1cx1 s ILE 143 CO -0.06 0.53 0.02 -1.54 -1.91 0.00 0.00 174.94 171.98 1cx1 n SER 144 N 1.86 0.04 -3.70 4.50 3.41 -1.22 -0.32 113.62 118.18 1cx1 n SER 144 Ca -0.17 -0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 57.58 1cx1 n SER 144 Cb 0.53 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1cx1 n SER 144 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cx1 s GLN 145 N -0.01 0.92 -0.49 4.33 -0.21 -1.26 0.49 119.66 123.42 1cx1 s GLN 145 Ca 0.00 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 54.87 1cx1 s GLN 145 Cb 0.00 0.40 0.22 0.00 1.00 0.00 0.00 33.01 34.63 1cx1 s GLN 145 CO 0.00 -0.32 0.85 1.55 -2.12 0.00 0.00 175.29 175.25 1cx1 n VAL 146 N 0.26 0.00 -2.61 1.09 3.14 -1.24 -1.72 118.33 117.25 1cx1 n VAL 146 Ca -0.17 -1.26 -0.36 0.00 -2.96 0.00 0.00 64.34 59.59 1cx1 n VAL 146 Cb 0.61 1.28 -0.05 0.00 -1.06 0.00 0.00 33.84 34.63 1cx1 n VAL 146 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1cx1 s SER 147 N -0.64 6.78 -0.27 6.55 1.04 -1.16 -4.46 113.70 121.53 1cx1 s SER 147 Ca 0.31 1.94 -0.04 0.00 0.48 0.00 0.00 55.95 58.64 1cx1 s SER 147 Cb 0.14 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.78 1cx1 s SER 147 CO -0.17 -0.47 0.12 -0.22 0.98 0.00 0.00 173.24 173.48 1cx1 s LEU 148 N -2.80 0.80 0.00 2.42 2.96 -1.26 -2.76 118.68 118.04 1cx1 s LEU 148 Ca 0.59 -1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1cx1 s LEU 148 Cb -0.19 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1cx1 s LEU 148 CO 0.24 -0.42 0.34 1.07 -1.32 0.00 0.00 176.35 176.26 1cx1 n THR 149 N 5.18 0.00 0.00 3.68 5.66 -1.13 -3.57 114.28 124.11 1cx1 n THR 149 Ca -0.06 -1.20 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 1cx1 n THR 149 Cb 0.43 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 1cx1 n THR 149 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1cx1 n THR 150 N -0.40 0.00 -4.78 1.09 5.66 -1.26 -0.94 114.28 113.65 1cx1 n THR 150 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 150 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 151 N 0.00 -4.24 -2.92 1.09 2.88 -1.26 -4.49 113.62 104.68 1cx1 n SER 151 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1cx1 n SER 151 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 s ALA 152 N -1.78 -3.68 0.00 -1.46 0.00 -1.26 -4.94 121.76 108.64 1cx1 s ALA 152 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1cx1 s ALA 152 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1cx1 s ALA 152 CO 0.00 -2.39 0.19 2.41 0.00 0.00 0.00 175.76 175.96