#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 -0.54 0.00 2.88 -1.26 -4.08 113.62 110.62 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cx1 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cx1 n LEU 3 N 0.00 0.67 -1.22 2.46 7.99 -1.26 -4.93 117.00 120.70 1cx1 n LEU 3 Ca 0.00 -0.33 0.16 0.00 -0.01 0.00 0.00 56.01 55.83 1cx1 n LEU 3 Cb 0.00 -0.29 -0.05 0.00 -0.11 0.00 0.00 43.42 42.97 1cx1 n LEU 3 CO 0.00 0.16 -0.33 0.47 -1.51 0.00 0.00 177.39 176.18 1cx1 n ASP 4 N 0.25 -7.31 0.00 -1.43 8.00 -1.26 -4.85 116.55 109.96 1cx1 n ASP 4 Ca 0.00 0.72 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1cx1 n ASP 4 Cb 0.16 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.92 0.00 -3.99 -2.24 3.41 -1.26 -4.65 113.62 100.97 1cx1 n SER 5 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 1cx1 n SER 5 Cb 0.56 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.36 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1cx1 s GLU 6 N 0.00 1.07 -1.52 4.33 1.03 -1.26 -4.96 118.70 117.39 1cx1 s GLU 6 Ca 0.00 -0.30 -0.12 0.00 0.03 0.00 0.00 54.97 54.57 1cx1 s GLU 6 Cb 0.00 -0.98 -0.01 0.00 -0.80 0.00 0.00 34.13 32.34 1cx1 s GLU 6 CO 0.00 0.08 2.51 0.28 -1.33 0.00 0.00 175.26 176.80 1cx1 n VAL 7 N 3.45 3.83 -2.74 1.83 0.31 -1.26 -4.91 118.33 118.85 1cx1 n VAL 7 Ca -0.20 -2.89 -0.43 0.00 -0.01 0.00 0.00 64.34 60.81 1cx1 n VAL 7 Cb 0.53 -2.60 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 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 2.69 3.68 0.16 5.55 2.56 -1.26 -3.86 118.70 128.21 1cx1 s GLU 8 Ca 0.56 0.41 0.06 0.00 0.00 0.00 0.00 54.97 56.00 1cx1 s GLU 8 Cb 0.16 -3.89 -0.06 0.00 2.00 0.00 0.00 34.13 32.34 1cx1 s GLU 8 CO -0.08 -1.21 1.36 -0.07 -0.56 0.00 0.00 175.26 174.70 1cx1 h LEU 9 N 10.67 0.09 -7.68 2.70 3.38 -1.89 -3.39 115.31 119.19 1cx1 h LEU 9 Ca -0.23 -0.08 -0.68 0.00 0.09 0.00 0.00 57.88 56.97 1cx1 h LEU 9 Cb 1.07 -0.03 -0.36 0.00 0.09 0.00 0.00 40.66 41.43 1cx1 h LEU 9 CO 1.05 0.95 -0.54 -0.22 0.09 0.00 0.00 178.44 179.78 1cx1 s LEU 10 N -7.08 5.05 0.00 1.67 0.20 -1.26 -4.97 118.68 112.28 1cx1 s LEU 10 Ca -0.01 -2.41 0.00 0.00 0.69 0.00 0.00 54.13 52.41 1cx1 s LEU 10 Cb 0.10 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 1cx1 s LEU 10 CO 0.82 -0.43 0.23 -2.65 -0.29 0.00 0.00 176.35 174.03 1cx1 n PRO 11 N 4.04 0.00 -3.75 0.98 -0.02 -1.26 -4.58 135.00 130.41 1cx1 n PRO 11 Ca 0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.22 1cx1 n PRO 11 Cb 0.39 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.32 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 2.25 1.29 -0.40 6.00 2.46 -1.26 -5.01 115.29 120.62 1cx1 s HIS 12 Ca 0.00 -1.15 0.10 0.00 0.47 0.00 0.00 55.06 54.49 1cx1 s HIS 12 Cb 0.00 -1.23 0.35 0.00 -0.13 0.00 0.00 32.58 31.57 1cx1 s HIS 12 CO 0.00 -0.69 0.89 -2.37 -2.47 0.00 0.00 174.74 170.09 1cx1 n THR 13 N 4.97 -0.06 -2.74 0.89 5.66 -1.26 -4.49 114.28 117.25 1cx1 n THR 13 Ca -0.08 -3.40 -0.08 0.00 -3.05 0.00 0.00 64.05 57.44 1cx1 n THR 13 Cb 0.45 0.41 0.06 0.00 -1.55 0.00 0.00 70.33 69.70 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 14 N 0.27 -2.77 -1.81 1.09 2.88 -1.24 -4.14 113.62 107.90 1cx1 n SER 14 Ca 0.17 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 1cx1 n SER 14 Cb 0.68 1.79 0.00 0.00 -0.75 0.00 0.00 64.21 65.94 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1cx1 n PHE 15 N 1.52 0.00 0.07 0.66 3.01 1.53 -3.57 117.46 120.68 1cx1 n PHE 15 Ca 0.08 -0.12 -0.15 0.00 1.01 0.00 0.00 57.45 58.27 1cx1 n PHE 15 Cb 0.64 -0.26 -0.14 0.00 -0.01 0.00 0.00 39.48 39.71 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 h ALA 16 N 3.39 0.28 -3.00 4.37 0.00 -1.69 -3.13 119.26 119.47 1cx1 h ALA 16 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1cx1 h ALA 16 Cb 0.13 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cx1 h ALA 16 CO 0.00 1.15 0.00 0.39 0.00 0.00 0.00 179.25 180.79 1cx1 n GLU 17 N -3.43 0.00 -4.07 0.00 -0.58 -1.23 -3.91 120.64 107.42 1cx1 n GLU 17 Ca -0.13 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.26 1cx1 n GLU 17 Cb 1.03 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.83 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cx1 s SER 18 N -0.03 5.89 0.00 1.62 1.04 -1.26 -4.60 113.70 116.36 1cx1 s SER 18 Ca 0.00 0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1cx1 s SER 18 Cb 0.00 -1.77 0.10 0.00 0.10 0.00 0.00 66.02 64.44 1cx1 s SER 18 CO 0.00 0.33 0.36 0.00 0.98 0.00 0.00 173.24 174.92 1cx1 n LEU 19 N 1.57 0.00 0.00 2.42 -0.00 -1.26 -4.65 117.00 115.08 1cx1 n LEU 19 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1cx1 n LEU 19 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1cx1 n LEU 19 CO 0.35 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.35 1cx1 n GLY 20 N -0.49 0.20 0.01 1.47 0.00 -1.26 -3.61 105.19 101.51 1cx1 n GLY 20 Ca 0.01 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 1.71 0.04 -0.00 1.61 -0.04 -1.26 -4.93 135.00 132.13 1cx1 n PRO 21 Ca 0.00 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1cx1 n PRO 21 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.58 -1.52 -4.40 0.54 7.02 -1.24 -5.04 117.44 111.23 1cx1 n TRP 22 Ca 0.05 -0.01 -0.20 0.00 -1.02 0.00 0.00 57.50 56.33 1cx1 n TRP 22 Cb 0.35 -0.02 -0.10 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.76 2.33 -0.12 -0.99 0.01 -1.04 -4.99 113.70 107.14 1cx1 s SER 23 Ca 0.01 -1.24 -0.31 0.00 1.31 0.00 0.00 55.95 55.72 1cx1 s SER 23 Cb -0.00 -0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.27 1cx1 s SER 23 CO 0.01 -0.46 1.04 -1.48 0.41 0.00 0.00 173.24 172.76 1cx1 s LEU 24 N -3.40 -0.28 0.00 2.44 -0.00 -1.26 -2.90 118.68 113.28 1cx1 s LEU 24 Ca 0.30 0.12 0.00 0.00 -0.00 0.00 0.00 54.13 54.56 1cx1 s LEU 24 Cb 0.06 1.73 0.00 0.00 -0.00 0.00 0.00 46.19 47.98 1cx1 s LEU 24 CO 0.11 -0.39 0.00 0.00 -0.00 0.00 0.00 176.35 176.08 1cx1 n TYR 25 N 0.14 0.00 0.00 3.48 0.18 -1.15 -5.02 117.16 114.79 1cx1 n TYR 25 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1cx1 n TYR 25 Cb 0.59 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 1cx1 n TYR 25 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1cx1 n GLY 26 N -0.99 2.80 0.00 -7.48 0.00 -1.26 -2.15 105.19 96.11 1cx1 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.23 0.00 -3.30 2.61 5.66 -1.19 -4.10 114.28 113.72 1cx1 n THR 27 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1cx1 n THR 27 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -0.03 6.80 -0.79 1.09 1.04 -1.26 -4.92 113.70 115.64 1cx1 s SER 28 Ca 0.00 0.95 -0.28 0.00 0.48 0.00 0.00 55.95 57.11 1cx1 s SER 28 Cb 0.00 -2.31 -0.18 0.00 0.10 0.00 0.00 66.02 63.63 1cx1 s SER 28 CO 0.00 0.08 2.23 -0.62 0.98 0.00 0.00 173.24 175.91 1cx1 n GLU 29 N 3.08 0.00 -1.38 4.02 4.71 -1.26 -4.49 120.64 125.32 1cx1 n GLU 29 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.69 1cx1 n GLU 29 Cb 0.52 -1.27 0.03 0.00 -1.01 0.00 0.00 31.44 29.70 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1cx1 n PRO 30 N 7.11 0.34 -3.73 3.49 -0.02 -1.26 -4.96 135.00 135.97 1cx1 n PRO 30 Ca 0.55 0.14 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 1cx1 n PRO 30 Cb 0.02 -1.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.82 0.27 -1.03 -1.45 1.01 -1.15 -4.95 120.40 111.29 1cx1 s VAL 31 Ca 0.65 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 1cx1 s VAL 31 Cb -0.45 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.46 1cx1 s VAL 31 CO 0.58 0.13 1.43 0.72 0.00 0.00 0.00 175.10 177.96 1cx1 s PHE 32 N 2.01 2.64 0.00 5.22 -0.12 -1.26 -2.97 117.98 123.50 1cx1 s PHE 32 Ca 0.04 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.93 1cx1 s PHE 32 Cb -0.13 -4.64 0.00 0.00 -0.63 0.00 0.00 43.02 37.62 1cx1 s PHE 32 CO -0.06 -1.86 0.00 0.00 -0.05 0.00 0.00 175.22 173.25 1cx1 n ALA 33 N 8.49 0.00 -0.70 1.99 0.00 0.12 -4.74 120.51 125.67 1cx1 n ALA 33 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1cx1 n ALA 33 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cx1 n ASP 34 N 0.00 0.00 -2.21 0.00 5.75 -1.26 -4.12 116.55 114.71 1cx1 n ASP 34 Ca 0.00 0.65 0.01 0.00 -0.01 0.00 0.00 54.79 55.44 1cx1 n ASP 34 Cb 0.00 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cx1 n GLY 35 N -1.00 1.67 3.30 6.12 0.00 -1.26 -4.81 105.19 109.21 1cx1 n GLY 35 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.22 0.82 -0.07 1.61 1.70 -1.25 -4.06 118.95 115.48 1cx1 s ARG 36 Ca 0.31 -0.22 0.05 0.00 -0.47 0.00 0.00 55.73 55.40 1cx1 s ARG 36 Cb 0.35 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 35.09 1cx1 s ARG 36 CO -0.09 -0.25 -0.24 1.41 -1.08 0.00 0.00 175.30 175.05 1cx1 s MET 37 N -1.82 2.67 0.12 3.89 -2.45 -0.77 0.13 119.30 121.07 1cx1 s MET 37 Ca -0.10 -0.88 0.06 0.00 -1.25 0.00 0.00 55.69 53.53 1cx1 s MET 37 Cb -0.03 -2.22 -0.04 0.00 1.25 0.00 0.00 34.83 33.79 1cx1 s MET 37 CO 0.02 0.36 -0.15 0.00 1.05 0.00 0.00 175.02 176.30 1cx1 s VAL 39 N -2.03 1.67 -0.52 0.00 -7.23 -0.77 -2.95 120.40 108.57 1cx1 s VAL 39 Ca 0.09 -0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 59.14 1cx1 s VAL 39 Cb -0.05 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1cx1 s VAL 39 CO 0.03 0.47 1.48 -1.81 -0.31 0.00 0.00 175.10 174.96 1cx1 s ASP 40 N 0.07 6.08 -0.72 4.85 1.01 -1.26 -3.14 116.67 123.57 1cx1 s ASP 40 Ca -0.07 0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.69 1cx1 s ASP 40 Cb -0.13 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.47 1cx1 s ASP 40 CO 0.04 -1.72 0.70 0.18 0.21 0.00 0.00 175.17 174.58 1cx1 n LEU 41 N 9.75 3.69 0.02 1.23 7.99 -0.11 -4.03 117.00 135.54 1cx1 n LEU 41 Ca 0.14 -5.32 -0.07 0.00 -0.01 0.00 0.00 56.01 50.75 1cx1 n LEU 41 Cb 0.49 -0.78 -0.05 0.00 -0.11 0.00 0.00 43.42 42.96 1cx1 n LEU 41 CO 0.71 1.88 0.23 1.55 -1.51 0.00 0.00 177.39 180.25 1cx1 h PRO 42 N 4.88 -0.15 0.00 3.23 0.13 -1.87 1.12 132.00 139.34 1cx1 h PRO 42 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1cx1 h PRO 42 Cb 0.71 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1cx1 h PRO 42 CO 0.82 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 1cx1 n GLY 43 N 1.16 -0.51 3.72 1.56 0.00 -1.25 -3.46 105.19 106.41 1cx1 n GLY 43 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.32 3.12 -0.02 0.00 -1.26 -4.72 105.19 102.63 1cx1 n GLY 44 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1cx1 n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cx1 n GLN 45 N -2.00 4.12 -0.14 1.61 6.02 -1.26 -4.89 117.38 120.84 1cx1 n GLN 45 Ca 0.00 -4.47 -0.02 0.00 -0.01 0.00 0.00 57.00 52.50 1cx1 n GLN 45 Cb 0.00 -2.55 -0.02 0.00 1.02 0.00 0.00 30.24 28.69 1cx1 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cx1 n GLY 46 N 1.88 1.28 3.07 1.08 0.00 -1.26 -4.16 105.19 107.08 1cx1 n GLY 46 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.85 -1.45 0.00 1.61 2.20 -1.26 -4.99 114.94 113.89 1cx1 s ASN 47 Ca 0.09 -0.99 0.00 0.00 -0.94 0.00 0.00 52.86 51.02 1cx1 s ASN 47 Cb 0.05 1.87 0.00 0.00 -2.00 0.00 0.00 41.25 41.16 1cx1 s ASN 47 CO 0.00 -0.13 0.73 -2.65 -2.94 0.00 0.00 177.10 172.11 1cx1 n PRO 48 N 3.99 0.00 -0.97 3.55 -0.02 -1.22 -0.13 135.00 140.20 1cx1 n PRO 48 Ca 0.13 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1cx1 n PRO 48 Cb 0.57 -1.76 0.18 0.00 -0.02 0.00 0.00 33.50 32.47 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1cx1 n TRP 49 N -1.23 1.43 -2.01 6.00 4.27 -1.26 -3.31 117.44 121.32 1cx1 n TRP 49 Ca 0.00 -1.76 -0.12 0.00 -3.89 0.00 0.00 57.50 51.73 1cx1 n TRP 49 Cb 0.26 -0.55 0.07 0.00 -1.36 0.00 0.00 31.31 29.73 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1cx1 n ASP 50 N -1.08 3.52 0.00 -0.67 8.00 0.82 -4.98 116.55 122.15 1cx1 n ASP 50 Ca 0.37 -3.53 0.00 0.00 0.71 0.00 0.00 54.79 52.34 1cx1 n ASP 50 Cb 1.04 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 51 N -0.75 0.00 0.00 2.24 0.00 -1.24 -3.14 120.51 117.62 1cx1 n ALA 51 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1cx1 n ALA 51 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 0.00 -0.45 3.34 0.00 0.00 -0.91 -1.64 105.19 105.53 1cx1 n GLY 52 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1cx1 n GLY 52 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cx1 s LEU 53 N 0.00 0.88 0.29 0.99 2.34 -1.15 -2.92 118.68 119.10 1cx1 s LEU 53 Ca 0.00 -1.25 -0.12 0.00 0.06 0.00 0.00 54.13 52.83 1cx1 s LEU 53 Cb 0.00 0.89 0.01 0.00 -0.56 0.00 0.00 46.19 46.52 1cx1 s LEU 53 CO 0.00 -0.96 0.54 -0.69 -1.06 0.00 0.00 176.35 174.18 1cx1 s VAL 54 N -4.06 0.00 -0.28 1.48 1.01 -1.14 -1.28 120.40 116.13 1cx1 s VAL 54 Ca 0.33 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 1cx1 s VAL 54 Cb 0.04 -2.36 0.19 0.00 0.00 0.00 0.00 36.38 34.25 1cx1 s VAL 54 CO 0.12 0.00 1.35 -0.47 0.00 0.00 0.00 175.10 176.10 1cx1 s TYR 55 N -3.58 -0.05 0.00 5.22 5.04 -0.77 -2.49 117.35 120.72 1cx1 s TYR 55 Ca 0.22 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1cx1 s TYR 55 Cb -0.02 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.78 1cx1 s TYR 55 CO 0.11 -0.05 0.00 0.09 -1.34 0.00 0.00 175.55 174.37 1cx1 n ASN 56 N 0.66 1.09 -1.65 4.32 5.03 -1.26 -2.31 115.26 121.14 1cx1 n ASN 56 Ca -0.02 -0.49 -0.00 0.00 0.87 0.00 0.00 54.58 54.94 1cx1 n ASN 56 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 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 5.00 -0.10 2.76 7.41 0.00 -1.26 -4.85 105.19 114.15 1cx1 n GLY 57 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1cx1 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cx1 s VAL 58 N -3.01 -0.34 0.50 1.61 1.01 -1.26 -4.86 120.40 114.05 1cx1 s VAL 58 Ca 0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1cx1 s VAL 58 Cb -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 1cx1 s VAL 58 CO 0.07 -0.57 0.97 -2.16 0.00 0.00 0.00 175.10 173.41 1cx1 s PRO 59 N 1.58 3.95 -0.04 2.72 0.04 -1.26 -3.64 135.00 138.35 1cx1 s PRO 59 Ca 0.16 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1cx1 s PRO 59 Cb -0.15 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1cx1 s PRO 59 CO -0.08 -0.24 0.39 0.08 0.04 0.00 0.00 177.00 177.19 1cx1 s VAL 60 N -2.58 0.04 -0.12 -0.36 1.01 -0.61 -5.04 120.40 112.74 1cx1 s VAL 60 Ca 0.59 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1cx1 s VAL 60 Cb -0.10 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.66 1cx1 s VAL 60 CO 0.30 -0.17 0.15 -0.83 0.00 0.00 0.00 175.10 174.55 1cx1 s GLY 61 N -1.06 0.10 0.28 4.51 0.00 -1.26 -2.37 107.32 107.53 1cx1 s GLY 61 Ca -0.11 0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.77 1cx1 s GLY 61 CO 0.05 1.77 0.08 1.18 0.00 0.00 0.00 173.10 176.17 1cx1 n GLU 62 N 5.31 0.00 0.00 2.90 4.71 -1.17 -1.23 120.64 131.16 1cx1 n GLU 62 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1cx1 n GLU 62 Cb 0.50 -0.72 0.00 0.00 -1.01 0.00 0.00 31.44 30.21 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cx1 n GLY 63 N 1.66 2.59 3.67 0.62 0.00 -1.13 -4.88 105.19 107.73 1cx1 n GLY 63 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.59 2.34 -0.00 1.61 2.02 -0.37 -4.84 118.70 118.87 1cx1 s GLU 64 Ca 0.00 -1.43 0.05 0.00 0.02 0.00 0.00 54.97 53.61 1cx1 s GLU 64 Cb 0.00 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1cx1 s GLU 64 CO 0.00 0.32 -0.15 -1.12 0.02 0.00 0.00 175.26 174.33 1cx1 s SER 65 N -3.71 1.81 0.53 -0.19 0.01 -1.26 0.43 113.70 111.32 1cx1 s SER 65 Ca 0.33 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.34 1cx1 s SER 65 Cb -0.06 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1cx1 s SER 65 CO 0.21 0.17 0.49 -0.31 0.41 0.00 0.00 173.24 174.20 1cx1 s TYR 66 N -0.44 1.76 0.16 2.43 1.51 -1.00 -4.34 117.35 117.43 1cx1 s TYR 66 Ca 0.05 -0.76 -0.09 0.00 -1.01 0.00 0.00 57.07 55.27 1cx1 s TYR 66 Cb -0.06 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1cx1 s TYR 66 CO -0.00 -0.57 0.28 0.08 -1.11 0.00 0.00 175.55 174.23 1cx1 s VAL 67 N -2.70 0.06 -0.18 0.71 1.01 -0.06 -2.69 120.40 116.56 1cx1 s VAL 67 Ca 0.43 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1cx1 s VAL 67 Cb -0.03 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1cx1 s VAL 67 CO 0.26 -0.29 0.35 -0.22 0.00 0.00 0.00 175.10 175.20 1cx1 s LEU 68 N -2.97 -0.50 -0.91 3.92 2.96 -0.70 -3.05 118.68 117.43 1cx1 s LEU 68 Ca 0.17 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.80 1cx1 s LEU 68 Cb 0.03 1.06 0.22 0.00 0.50 0.00 0.00 46.19 48.01 1cx1 s LEU 68 CO 0.00 -0.24 0.81 -0.55 -1.32 0.00 0.00 176.35 175.05 1cx1 s SER 69 N 2.53 6.10 0.09 3.68 0.15 -1.11 -2.49 113.70 122.64 1cx1 s SER 69 Ca 0.01 -3.74 -0.09 0.00 0.70 0.00 0.00 55.95 52.83 1cx1 s SER 69 Cb -0.12 -1.93 -0.06 0.00 -1.71 0.00 0.00 66.02 62.20 1cx1 s SER 69 CO -0.11 -0.18 0.40 0.72 1.20 0.00 0.00 173.24 175.26 1cx1 s PHE 70 N -1.38 3.56 -0.05 3.44 -0.12 -1.09 -3.13 117.98 119.21 1cx1 s PHE 70 Ca 0.28 0.74 -0.13 0.00 -0.05 0.00 0.00 56.93 57.77 1cx1 s PHE 70 Cb -0.07 -2.13 -0.05 0.00 -0.63 0.00 0.00 43.02 40.14 1cx1 s PHE 70 CO -0.12 0.50 0.33 0.95 -0.05 0.00 0.00 175.22 176.83 1cx1 s THR 71 N -1.46 5.18 -0.30 -4.49 -4.23 -1.17 -0.59 115.64 108.58 1cx1 s THR 71 Ca 0.35 0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 61.34 1cx1 s THR 71 Cb -0.13 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.26 1cx1 s THR 71 CO 0.19 0.56 1.20 0.00 -0.54 0.00 0.00 174.62 176.03 1cx1 s ALA 72 N -0.83 -3.01 -0.20 3.99 0.00 -1.14 -3.68 121.76 116.89 1cx1 s ALA 72 Ca 0.21 1.90 -0.03 0.00 0.00 0.00 0.00 51.96 54.04 1cx1 s ALA 72 Cb -0.15 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1cx1 s ALA 72 CO 0.10 -0.84 -0.06 -1.54 0.00 0.00 0.00 175.76 173.41 1cx1 s SER 73 N 1.96 4.23 -0.07 0.00 1.04 -1.06 -4.56 113.70 115.24 1cx1 s SER 73 Ca -0.02 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.86 1cx1 s SER 73 Cb -0.02 -1.71 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 1cx1 s SER 73 CO -0.15 0.03 0.50 0.00 0.98 0.00 0.00 173.24 174.59 1cx1 s ALA 74 N 1.19 3.51 -0.14 5.32 0.00 -0.18 -2.92 121.76 128.53 1cx1 s ALA 74 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1cx1 s ALA 74 Cb -0.14 -2.64 0.05 0.00 0.00 0.00 0.00 23.12 20.39 1cx1 s ALA 74 CO -0.02 0.11 0.03 0.95 0.00 0.00 0.00 175.76 176.83 1cx1 s THR 75 N 0.18 0.39 0.00 0.00 -4.23 -1.14 -0.23 115.64 110.61 1cx1 s THR 75 Ca 0.27 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1cx1 s THR 75 Cb -0.16 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1cx1 s THR 75 CO 0.12 -0.03 0.00 -2.65 -0.54 0.00 0.00 174.62 171.52 1cx1 n PRO 76 N 5.12 3.04 -4.15 3.99 -0.02 -1.26 -2.32 135.00 139.39 1cx1 n PRO 76 Ca -0.08 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.14 1cx1 n PRO 76 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.90 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 -1.74 5.10 0.00 2.55 1.01 -1.25 -4.42 116.67 117.91 1cx1 s ASP 77 Ca 0.00 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1cx1 s ASP 77 Cb 0.00 -1.20 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1cx1 s ASP 77 CO 0.00 0.08 0.00 1.15 0.21 0.00 0.00 175.17 176.61 1cx1 n MET 78 N -0.25 0.00 -2.42 8.23 0.00 -1.17 -5.05 117.12 116.46 1cx1 n MET 78 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 1cx1 n MET 78 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.74 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 4.41 0.46 3.17 0.04 -1.26 -3.07 135.00 136.76 1cx1 s PRO 79 Ca 0.00 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1cx1 s PRO 79 Cb 0.00 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.21 1cx1 s PRO 79 CO 0.00 -0.30 0.46 1.33 0.04 0.00 0.00 177.00 178.53 1cx1 n VAL 80 N 4.06 0.00 -4.33 -0.36 0.24 0.89 -4.90 118.33 113.93 1cx1 n VAL 80 Ca 0.09 -1.73 -0.21 0.00 -2.04 0.00 0.00 64.34 60.46 1cx1 n VAL 80 Cb 0.46 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.41 1cx1 n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cx1 s ARG 81 N -3.98 0.97 0.05 7.34 1.70 -1.26 -2.95 118.95 120.82 1cx1 s ARG 81 Ca 0.35 -0.86 -0.14 0.00 -0.47 0.00 0.00 55.73 54.61 1cx1 s ARG 81 Cb -0.03 -1.02 0.02 0.00 -0.57 0.00 0.00 34.95 33.36 1cx1 s ARG 81 CO 0.22 0.25 0.30 0.54 -1.08 0.00 0.00 175.30 175.53 1cx1 s VAL 82 N -0.98 0.08 0.02 4.99 0.11 -1.24 -2.96 120.40 120.42 1cx1 s VAL 82 Ca 0.02 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1cx1 s VAL 82 Cb -0.09 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1cx1 s VAL 82 CO 0.02 -0.38 0.03 -1.48 -3.33 0.00 0.00 175.10 169.96 1cx1 s LEU 83 N -2.09 2.03 0.15 2.54 2.34 -1.16 -3.31 118.68 119.18 1cx1 s LEU 83 Ca -0.05 -0.47 -0.12 0.00 0.06 0.00 0.00 54.13 53.56 1cx1 s LEU 83 Cb -0.01 0.31 0.01 0.00 -0.56 0.00 0.00 46.19 45.95 1cx1 s LEU 83 CO -0.04 -0.36 0.34 -0.69 -1.06 0.00 0.00 176.35 174.54 1cx1 s VAL 84 N -1.75 0.08 -3.79 1.48 1.01 -1.04 -2.07 120.40 114.32 1cx1 s VAL 84 Ca -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1cx1 s VAL 84 Cb -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1cx1 s VAL 84 CO -0.01 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1cx1 n GLY 85 N -0.21 0.66 3.93 4.51 0.00 0.18 -2.63 105.19 111.64 1cx1 n GLY 85 Ca -0.11 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.96 3.25 -0.77 1.61 1.03 -1.26 0.18 118.70 120.78 1cx1 s GLU 86 Ca 0.00 -0.17 0.02 0.00 0.03 0.00 0.00 54.97 54.85 1cx1 s GLU 86 Cb 0.00 -2.47 0.32 0.00 -0.80 0.00 0.00 34.13 31.18 1cx1 s GLU 86 CO 0.00 -0.26 1.24 0.41 -1.33 0.00 0.00 175.26 175.32 1cx1 n GLY 87 N -2.18 5.62 0.00 -3.83 0.00 -1.10 -4.75 105.19 98.96 1cx1 n GLY 87 Ca 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.31 1cx1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 88 N 0.12 5.30 0.00 -0.02 0.00 -1.26 -4.39 105.19 104.93 1cx1 n GLY 88 Ca 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.14 -0.05 0.29 -0.02 0.00 -1.26 -4.71 105.19 99.58 1cx1 n GLY 89 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.00 0.18 -0.43 4.61 0.00 -1.26 -2.47 120.51 118.14 1cx1 n ALA 90 Ca 0.00 0.88 -0.37 0.00 0.00 0.00 0.00 53.44 53.95 1cx1 n ALA 90 Cb 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 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 -5.31 0.00 -0.54 0.00 4.01 -1.26 -4.87 117.16 109.19 1cx1 n TYR 91 Ca 0.13 -0.49 -0.30 0.00 -0.16 0.00 0.00 57.90 57.08 1cx1 n TYR 91 Cb 0.40 -0.72 0.22 0.00 -0.31 0.00 0.00 39.34 38.94 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 7.41 -2.33 -3.18 -0.72 1.85 -1.03 -4.45 116.66 114.20 1cx1 n ARG 92 Ca 0.38 -0.66 -0.19 0.00 -1.00 0.00 0.00 57.85 56.38 1cx1 n ARG 92 Cb 0.35 -1.90 0.02 0.00 -1.05 0.00 0.00 32.46 29.88 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1cx1 s THR 93 N -2.28 2.49 0.00 8.89 -1.32 -1.26 -4.53 115.64 117.62 1cx1 s THR 93 Ca 0.62 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1cx1 s THR 93 Cb -0.18 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1cx1 s THR 93 CO 0.64 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 173.05 1cx1 n ALA 94 N -1.95 1.26 -0.68 11.08 0.00 -1.25 -4.72 120.51 124.24 1cx1 n ALA 94 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 1cx1 n ALA 94 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.85 1.71 -2.06 0.00 -0.00 -1.08 -4.75 117.46 110.43 1cx1 n PHE 95 Ca 0.00 -1.78 -0.42 0.00 -0.00 0.00 0.00 57.45 55.24 1cx1 n PHE 95 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 39.48 38.61 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 -0.01 3.19 -3.21 -4.13 2.13 -1.26 -2.48 120.64 114.86 1cx1 n GLU 96 Ca 0.33 -3.04 -0.21 0.00 0.66 0.00 0.00 57.16 54.90 1cx1 n GLU 96 Cb 0.78 -3.15 0.05 0.00 0.27 0.00 0.00 31.44 29.39 1cx1 n GLU 96 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1cx1 s GLN 97 N 2.12 2.28 0.00 5.31 1.03 -1.21 -5.04 119.66 124.15 1cx1 s GLN 97 Ca 0.44 -1.73 0.00 0.00 0.04 0.00 0.00 55.36 54.11 1cx1 s GLN 97 Cb 0.11 -2.53 0.00 0.00 0.03 0.00 0.00 33.01 30.62 1cx1 s GLN 97 CO -0.04 -0.83 0.41 0.41 -2.54 0.00 0.00 175.29 172.70 1cx1 n GLY 98 N -2.16 0.83 2.76 2.60 0.00 -1.26 -3.68 105.19 104.27 1cx1 n GLY 98 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 5.46 -4.16 1.61 7.64 -1.26 -4.59 113.62 118.33 1cx1 n SER 99 Ca 0.00 -3.59 -0.38 0.00 1.01 0.00 0.00 58.87 55.91 1cx1 n SER 99 Cb 0.52 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.75 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 -3.38 3.39 -0.27 -0.43 0.00 -1.15 -4.96 121.76 114.96 1cx1 s ALA 100 Ca 0.41 -2.76 -0.29 0.00 0.00 0.00 0.00 51.96 49.33 1cx1 s ALA 100 Cb 0.19 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1cx1 s ALA 100 CO -0.06 -1.94 1.08 -1.25 0.00 0.00 0.00 175.76 173.59 1cx1 s PRO 101 N 0.87 4.16 0.01 0.00 0.04 -1.26 -0.08 135.00 138.74 1cx1 s PRO 101 Ca 0.10 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.44 1cx1 s PRO 101 Cb -0.23 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 1cx1 s PRO 101 CO -0.03 -0.78 -0.18 -0.51 0.04 0.00 0.00 177.00 175.55 1cx1 s LEU 102 N 3.47 2.60 0.29 -3.56 2.01 -1.17 -4.98 118.68 117.33 1cx1 s LEU 102 Ca 0.46 -0.36 0.05 0.00 0.01 0.00 0.00 54.13 54.29 1cx1 s LEU 102 Cb -0.14 -1.52 -0.06 0.00 0.01 0.00 0.00 46.19 44.48 1cx1 s LEU 102 CO 0.11 0.29 -0.01 0.28 1.01 0.00 0.00 176.35 178.03 1cx1 s THR 103 N -0.84 1.40 -0.55 5.49 -1.32 -1.26 -3.02 115.64 115.54 1cx1 s THR 103 Ca 0.13 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 1cx1 s THR 103 Cb -0.10 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1cx1 s THR 103 CO 0.03 -0.21 0.25 0.61 -2.21 0.00 0.00 174.62 173.09 1cx1 n GLY 104 N -0.59 0.60 3.16 6.08 0.00 0.68 -1.01 105.19 114.11 1cx1 n GLY 104 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 2.43 -0.32 1.61 2.12 -1.26 -4.90 118.70 118.12 1cx1 s GLU 105 Ca 0.00 -2.05 -0.41 0.00 0.36 0.00 0.00 54.97 52.87 1cx1 s GLU 105 Cb 0.00 -3.80 -0.16 0.00 0.26 0.00 0.00 34.13 30.43 1cx1 s GLU 105 CO 0.00 -1.16 1.80 -2.30 -0.54 0.00 0.00 175.26 173.07 1cx1 n PRO 106 N 4.34 0.98 -3.61 4.30 -0.02 -1.26 -4.74 135.00 134.99 1cx1 n PRO 106 Ca -0.00 0.35 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 1cx1 n PRO 106 Cb 0.41 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.05 -1.90 0.06 3.55 0.00 -1.26 -5.01 121.76 121.25 1cx1 s ALA 107 Ca 1.01 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 53.64 1cx1 s ALA 107 Cb -1.11 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1cx1 s ALA 107 CO 0.66 -0.82 0.53 0.95 0.00 0.00 0.00 175.76 177.08 1cx1 s THR 108 N -2.91 4.81 -0.13 0.00 -4.23 -1.26 -2.91 115.64 109.01 1cx1 s THR 108 Ca 0.09 1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.66 1cx1 s THR 108 Cb -0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1cx1 s THR 108 CO -0.04 0.55 0.03 -0.13 -0.54 0.00 0.00 174.62 174.48 1cx1 s ARG 109 N -1.14 3.49 -0.45 3.99 3.00 0.24 -4.86 118.95 123.22 1cx1 s ARG 109 Ca 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 55.73 55.57 1cx1 s ARG 109 Cb -0.19 -3.00 0.12 0.00 0.00 0.00 0.00 34.95 31.88 1cx1 s ARG 109 CO 0.18 0.48 0.30 -1.21 0.00 0.00 0.00 175.30 175.05 1cx1 s GLU 110 N -0.26 2.31 -0.15 3.54 8.01 -1.24 -2.67 118.70 128.25 1cx1 s GLU 110 Ca 0.07 -1.80 -0.03 0.00 0.01 0.00 0.00 54.97 53.22 1cx1 s GLU 110 Cb -0.12 -3.81 -0.03 0.00 -4.31 0.00 0.00 34.13 25.87 1cx1 s GLU 110 CO 0.02 -1.15 -0.05 0.71 0.01 0.00 0.00 175.26 174.79 1cx1 s TYR 111 N 1.25 2.99 0.16 1.61 2.02 -1.04 -4.86 117.35 119.48 1cx1 s TYR 111 Ca 0.07 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1cx1 s TYR 111 Cb -0.25 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 1cx1 s TYR 111 CO -0.02 -0.05 -0.02 0.00 -1.57 0.00 0.00 175.55 173.89 1cx1 s ALA 112 N 0.31 1.33 0.26 3.71 0.00 -1.26 -1.72 121.76 124.40 1cx1 s ALA 112 Ca -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1cx1 s ALA 112 Cb -0.14 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1cx1 s ALA 112 CO 0.03 -0.27 0.27 -0.59 0.00 0.00 0.00 175.76 175.20 1cx1 s PHE 113 N -3.60 1.17 -0.25 0.00 -0.71 -1.10 -4.95 117.98 108.55 1cx1 s PHE 113 Ca 0.21 -1.34 -0.08 0.00 -1.04 0.00 0.00 56.93 54.68 1cx1 s PHE 113 Cb 0.05 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 1cx1 s PHE 113 CO 0.02 -0.82 0.10 0.95 -1.34 0.00 0.00 175.22 174.13 1cx1 s THR 114 N -3.80 4.66 0.39 -4.49 -4.23 -1.26 -2.38 115.64 104.53 1cx1 s THR 114 Ca 0.36 -0.06 -0.24 0.00 -1.18 0.00 0.00 61.69 60.57 1cx1 s THR 114 Cb 0.04 -3.18 -0.12 0.00 1.34 0.00 0.00 72.50 70.57 1cx1 s THR 114 CO 0.17 0.33 0.79 -1.54 -0.54 0.00 0.00 174.62 173.83 1cx1 n SER 115 N 4.78 0.24 0.00 3.99 3.41 1.46 -4.88 113.62 122.61 1cx1 n SER 115 Ca -0.16 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1cx1 n SER 115 Cb 0.52 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1cx1 n SER 115 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1cx1 n ASN 116 N 1.00 0.36 -4.87 4.04 6.94 -1.26 -2.86 115.26 118.61 1cx1 n ASN 116 Ca 0.11 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.42 1cx1 n ASN 116 Cb 0.37 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.77 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1cx1 s LEU 117 N -4.75 2.92 -0.20 -4.53 0.20 -1.26 -4.51 118.68 106.55 1cx1 s LEU 117 Ca 0.00 -1.11 -0.17 0.00 0.69 0.00 0.00 54.13 53.53 1cx1 s LEU 117 Cb 0.00 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 1cx1 s LEU 117 CO 0.00 -0.91 0.46 0.42 -0.29 0.00 0.00 176.35 176.03 1cx1 s THR 118 N -2.68 5.14 -0.36 3.68 -4.23 -1.26 -3.06 115.64 112.87 1cx1 s THR 118 Ca 0.38 0.84 -0.00 0.00 -1.18 0.00 0.00 61.69 61.73 1cx1 s THR 118 Cb -0.01 -3.79 0.12 0.00 1.34 0.00 0.00 72.50 70.16 1cx1 s THR 118 CO 0.23 0.20 0.18 -0.36 -0.54 0.00 0.00 174.62 174.33 1cx1 s PHE 119 N 1.54 1.31 0.73 3.99 0.08 -1.00 -5.04 117.98 119.59 1cx1 s PHE 119 Ca 0.22 -1.81 -0.12 0.00 0.12 0.00 0.00 56.93 55.34 1cx1 s PHE 119 Cb -0.15 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1cx1 s PHE 119 CO 0.09 -0.83 1.11 -1.25 -0.10 0.00 0.00 175.22 174.25 1cx1 s PRO 120 N 1.11 2.63 0.20 0.24 0.04 -1.26 -1.57 135.00 136.39 1cx1 s PRO 120 Ca 0.15 0.41 0.26 0.00 0.04 0.00 0.00 61.00 61.86 1cx1 s PRO 120 Cb -0.21 -2.00 0.84 0.00 0.04 0.00 0.00 34.50 33.16 1cx1 s PRO 120 CO -0.10 -1.19 1.78 -0.35 0.04 0.00 0.00 177.00 177.19 1cx1 n PRO 121 N -3.10 0.25 -3.80 0.56 -0.04 -1.26 -4.53 135.00 123.07 1cx1 n PRO 121 Ca 0.07 0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1cx1 n PRO 121 Cb 0.58 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1cx1 n PRO 121 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1cx1 s ASP 122 N -4.44 4.93 0.00 3.54 -4.77 -1.26 -4.69 116.67 109.98 1cx1 s ASP 122 Ca 0.11 -0.69 0.00 0.00 -3.30 0.00 0.00 52.55 48.67 1cx1 s ASP 122 Cb 0.13 -1.84 0.00 0.00 -1.09 0.00 0.00 42.92 40.12 1cx1 s ASP 122 CO 0.59 -0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.91 1cx1 n GLY 123 N 4.83 0.63 0.83 2.12 0.00 -1.26 -4.94 105.19 107.39 1cx1 n GLY 123 Ca -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 1.86 0.00 1.61 8.00 -1.26 -4.00 116.55 122.75 1cx1 n ASP 124 Ca 0.00 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1cx1 n ASP 124 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 125 N 0.43 0.00 -1.00 2.24 0.00 -1.26 -4.56 120.51 116.36 1cx1 n ALA 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 125 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N 0.00 1.31 -0.96 0.00 -0.04 -1.26 -3.42 135.00 130.63 1cx1 n PRO 126 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1cx1 n PRO 126 Cb 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 127 N 3.83 -3.97 3.60 0.55 0.00 -1.24 -2.71 105.19 105.26 1cx1 n GLY 127 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1cx1 n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cx1 s GLN 128 N -1.92 0.54 -0.10 1.61 0.74 0.48 -4.25 119.66 116.76 1cx1 s GLN 128 Ca 0.37 1.25 -0.05 0.00 0.05 0.00 0.00 55.36 56.98 1cx1 s GLN 128 Cb -0.08 0.63 0.05 0.00 1.10 0.00 0.00 33.01 34.71 1cx1 s GLN 128 CO 0.74 -0.17 0.25 0.54 -0.55 0.00 0.00 175.29 176.10 1cx1 s VAL 129 N 2.52 -0.04 -0.14 1.34 0.11 -0.98 0.49 120.40 123.71 1cx1 s VAL 129 Ca -0.06 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.07 1cx1 s VAL 129 Cb -0.09 -0.38 0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1cx1 s VAL 129 CO -0.19 0.06 0.30 0.00 -3.33 0.00 0.00 175.10 171.94 1cx1 s ALA 130 N 1.20 -0.72 -0.27 1.54 0.00 -0.88 -1.85 121.76 120.79 1cx1 s ALA 130 Ca -0.09 1.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1cx1 s ALA 130 Cb -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1cx1 s ALA 130 CO -0.08 -0.53 0.76 -0.06 0.00 0.00 0.00 175.76 175.85 1cx1 s PHE 131 N 2.09 3.26 -0.18 0.00 0.40 -0.40 -2.99 117.98 120.16 1cx1 s PHE 131 Ca -0.03 0.92 -0.09 0.00 -0.60 0.00 0.00 56.93 57.13 1cx1 s PHE 131 Cb -0.11 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.32 1cx1 s PHE 131 CO -0.10 -0.44 0.13 -1.01 0.70 0.00 0.00 175.22 174.51 1cx1 s HIS 132 N 2.79 3.45 0.00 0.36 3.76 -1.16 -2.94 115.29 121.55 1cx1 s HIS 132 Ca 0.31 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1cx1 s HIS 132 Cb -0.15 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.42 1cx1 s HIS 132 CO 0.10 0.37 0.00 1.28 -0.85 0.00 0.00 174.74 175.64 1cx1 n LEU 133 N 3.23 0.00 -1.97 0.89 4.32 -0.65 -4.07 117.00 118.74 1cx1 n LEU 133 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1cx1 n LEU 133 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1cx1 n LEU 133 CO 0.36 0.00 -0.06 0.61 -1.22 0.00 0.00 177.39 177.08 1cx1 n GLY 134 N 1.40 0.00 3.02 -0.72 0.00 -1.24 -4.46 105.19 103.18 1cx1 n GLY 134 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s LYS 135 N -0.11 0.17 0.66 1.61 1.02 -1.26 -3.46 119.74 118.36 1cx1 s LYS 135 Ca 0.00 0.67 0.03 0.00 0.02 0.00 0.00 55.97 56.69 1cx1 s LYS 135 Cb 0.00 -0.07 0.16 0.00 -0.52 0.00 0.00 37.83 37.40 1cx1 s LYS 135 CO 0.00 -0.24 1.09 0.00 -0.92 0.00 0.00 175.35 175.27 1cx1 h ALA 136 N 7.89 1.96 0.00 5.17 0.00 -1.84 5.06 119.26 137.50 1cx1 h ALA 136 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1cx1 h ALA 136 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cx1 h ALA 136 CO 0.22 -0.96 -0.01 0.41 0.00 0.00 0.00 179.25 178.92 1cx1 n GLY 137 N -1.48 3.45 0.00 0.00 0.00 -1.26 -4.18 105.19 101.72 1cx1 n GLY 137 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.79 0.00 -2.03 4.61 0.00 1.65 -4.98 120.51 118.97 1cx1 n ALA 138 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1cx1 n ALA 138 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.15 0.00 -5.01 0.00 4.11 0.39 -4.79 117.16 111.71 1cx1 n TYR 139 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.58 1cx1 n TYR 139 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.17 1cx1 n TYR 139 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1cx1 s GLU 140 N 4.11 2.99 -0.34 -3.48 2.02 -0.98 -0.93 118.70 122.10 1cx1 s GLU 140 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1cx1 s GLU 140 Cb 0.00 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.94 1cx1 s GLU 140 CO 0.00 0.11 0.12 0.12 0.02 0.00 0.00 175.26 175.63 1cx1 s PHE 141 N 0.51 3.22 -0.75 1.61 5.36 -1.19 -2.87 117.98 123.88 1cx1 s PHE 141 Ca -0.15 -1.18 -0.07 0.00 -0.96 0.00 0.00 56.93 54.57 1cx1 s PHE 141 Cb -0.17 -2.31 0.19 0.00 -0.34 0.00 0.00 43.02 40.39 1cx1 s PHE 141 CO 0.05 -0.67 0.63 0.00 -1.46 0.00 0.00 175.22 173.77 1cx1 s ILE 143 N -0.23 5.43 0.00 0.00 -4.36 -0.27 -2.55 121.20 119.22 1cx1 s ILE 143 Ca 0.19 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 1cx1 s ILE 143 Cb -0.15 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.10 1cx1 s ILE 143 CO -0.07 0.54 0.27 -1.54 0.24 0.00 0.00 174.94 174.39 1cx1 n SER 144 N 2.61 0.54 -3.53 4.36 3.41 -1.24 -1.84 113.62 117.93 1cx1 n SER 144 Ca -0.18 -0.94 -0.11 0.00 -0.26 0.00 0.00 58.87 57.39 1cx1 n SER 144 Cb 0.54 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.05 1.81 -0.31 4.33 -0.21 -1.26 0.44 119.66 124.41 1cx1 s GLN 145 Ca 0.00 -1.46 -0.12 0.00 0.02 0.00 0.00 55.36 53.80 1cx1 s GLN 145 Cb 0.00 0.49 0.19 0.00 1.00 0.00 0.00 33.01 34.69 1cx1 s GLN 145 CO 0.00 -0.78 1.10 0.54 -2.12 0.00 0.00 175.29 174.03 1cx1 s VAL 146 N -3.36 -0.14 -0.01 1.09 0.11 -1.26 -3.07 120.40 113.77 1cx1 s VAL 146 Ca 0.24 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1cx1 s VAL 146 Cb -0.02 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 1cx1 s VAL 146 CO 0.13 0.00 0.05 -0.94 -3.33 0.00 0.00 175.10 171.02 1cx1 s SER 147 N 2.27 5.51 -0.11 3.54 1.04 -1.18 -4.21 113.70 120.56 1cx1 s SER 147 Ca 0.19 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 1cx1 s SER 147 Cb 0.02 -1.55 0.02 0.00 0.10 0.00 0.00 66.02 64.62 1cx1 s SER 147 CO -0.18 0.29 -0.07 -0.22 0.98 0.00 0.00 173.24 174.04 1cx1 s LEU 148 N -1.61 1.13 0.00 2.42 2.96 -1.26 -2.74 118.68 119.58 1cx1 s LEU 148 Ca 0.21 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1cx1 s LEU 148 Cb -0.12 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.77 1cx1 s LEU 148 CO 0.12 -0.12 0.01 1.07 -1.32 0.00 0.00 176.35 176.11 1cx1 n THR 149 N 4.95 0.00 0.00 3.68 5.66 -1.17 -3.16 114.28 124.25 1cx1 n THR 149 Ca -0.12 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1cx1 n THR 149 Cb 0.50 0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.01 0.00 -1.11 1.09 5.66 -1.25 -0.88 114.28 117.78 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 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1cx1 n THR 150 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 151 N 0.00 -1.48 0.00 1.09 3.41 -1.26 -4.67 113.62 110.71 1cx1 n SER 151 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cx1 n SER 151 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 n ALA 152 N -1.00 0.00 0.47 7.33 0.00 -1.26 -4.33 120.51 121.72 1cx1 n ALA 152 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1cx1 n ALA 152 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.87 1cx1 n ALA 152 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13