#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx1 s SER 2 N 0.00 6.50 0.20 0.00 0.01 -1.26 -4.91 113.70 114.24 1cx1 s SER 2 Ca 0.00 -3.71 -0.01 0.00 1.31 0.00 0.00 55.95 53.55 1cx1 s SER 2 Cb 0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1cx1 s SER 2 CO 0.00 -0.21 0.27 0.00 0.41 0.00 0.00 173.24 173.71 1cx1 n LEU 3 N 2.43 0.00 0.00 2.44 -0.00 -1.25 -1.22 117.00 119.40 1cx1 n LEU 3 Ca 0.23 -1.65 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 1cx1 n LEU 3 Cb 0.38 1.41 0.00 0.00 -0.00 0.00 0.00 43.42 45.21 1cx1 n LEU 3 CO 0.40 -0.37 0.00 -0.67 -0.00 0.00 0.00 177.39 176.75 1cx1 n ASP 4 N -1.88 0.00 -0.74 1.45 2.03 -1.22 -3.79 116.55 112.39 1cx1 n ASP 4 Ca 0.01 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.40 1cx1 n ASP 4 Cb 0.34 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cx1 n SER 5 N -1.86 -3.56 -3.73 1.67 7.64 -1.26 -4.21 113.62 108.31 1cx1 n SER 5 Ca 0.00 0.33 -0.21 0.00 1.01 0.00 0.00 58.87 60.00 1cx1 n SER 5 Cb 0.00 -2.45 -0.18 0.00 -1.01 0.00 0.00 64.21 60.57 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1cx1 s GLU 6 N -2.29 0.25 -0.86 1.43 2.02 -1.26 -4.68 118.70 113.31 1cx1 s GLU 6 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.23 1cx1 s GLU 6 Cb 0.00 -0.70 0.31 0.00 0.10 0.00 0.00 34.13 33.84 1cx1 s GLU 6 CO 0.00 -0.30 1.32 0.28 0.02 0.00 0.00 175.26 176.58 1cx1 n VAL 7 N 5.10 4.47 -1.53 2.63 0.31 -1.26 -4.96 118.33 123.08 1cx1 n VAL 7 Ca -0.07 -5.73 -0.19 0.00 -0.01 0.00 0.00 64.34 58.34 1cx1 n VAL 7 Cb 0.50 -1.75 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 1cx1 n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1cx1 n GLU 8 N 0.40 0.33 0.00 5.55 0.00 -1.21 -4.48 120.64 121.23 1cx1 n GLU 8 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1cx1 n GLU 8 Cb 0.34 -2.50 0.00 0.00 0.00 0.00 0.00 31.44 29.28 1cx1 n GLU 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cx1 n LEU 9 N 12.89 0.00 -3.50 -1.84 4.32 -1.24 -3.49 117.00 124.15 1cx1 n LEU 9 Ca 0.56 0.05 -0.28 0.00 -0.02 0.00 0.00 56.01 56.32 1cx1 n LEU 9 Cb 0.30 -0.05 -0.13 0.00 -1.62 0.00 0.00 43.42 41.91 1cx1 n LEU 9 CO 0.79 -0.05 -0.32 -0.22 -1.22 0.00 0.00 177.39 176.37 1cx1 s LEU 10 N -1.86 0.66 0.00 2.23 0.20 -1.26 -5.00 118.68 113.64 1cx1 s LEU 10 Ca 0.00 -1.62 0.00 0.00 0.69 0.00 0.00 54.13 53.20 1cx1 s LEU 10 Cb 0.00 -0.31 0.00 0.00 -0.43 0.00 0.00 46.19 45.45 1cx1 s LEU 10 CO 0.00 -0.38 0.00 -2.65 -0.29 0.00 0.00 176.35 173.03 1cx1 n PRO 11 N 4.76 0.00 -3.79 0.98 -0.02 -1.23 -4.53 135.00 131.16 1cx1 n PRO 11 Ca 0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 1cx1 n PRO 11 Cb 0.40 -1.25 -0.17 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.42 1.06 -0.44 6.00 2.46 -1.26 -5.03 115.29 119.50 1cx1 s HIS 12 Ca 0.00 -0.63 0.07 0.00 0.47 0.00 0.00 55.06 54.97 1cx1 s HIS 12 Cb 0.00 -1.01 0.30 0.00 -0.13 0.00 0.00 32.58 31.73 1cx1 s HIS 12 CO 0.00 -0.50 0.94 -2.37 -2.47 0.00 0.00 174.74 170.34 1cx1 n THR 13 N 5.04 -0.10 -2.76 0.89 5.66 -1.26 -4.54 114.28 117.22 1cx1 n THR 13 Ca -0.09 -2.31 -0.09 0.00 -3.05 0.00 0.00 64.05 58.51 1cx1 n THR 13 Cb 0.49 0.85 0.06 0.00 -1.55 0.00 0.00 70.33 70.17 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 0.76 -2.65 -0.87 1.09 7.64 -1.22 -4.49 113.62 113.87 1cx1 n SER 14 Ca 0.12 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1cx1 n SER 14 Cb 0.66 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 65.67 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 1.23 0.00 -0.02 1.43 3.01 1.50 -3.00 117.46 121.62 1cx1 n PHE 15 Ca 0.08 -0.13 -0.08 0.00 1.01 0.00 0.00 57.45 58.34 1cx1 n PHE 15 Cb 0.65 -0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.70 1.54 -1.36 4.37 0.00 -1.22 -3.14 120.51 121.40 1cx1 n ALA 16 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1cx1 n ALA 16 Cb 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.03 0.00 -3.70 0.00 1.02 -1.16 -4.24 120.64 109.54 1cx1 n GLU 17 Ca -0.16 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.63 1cx1 n GLU 17 Cb 1.03 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.39 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1cx1 s SER 18 N -0.03 6.56 0.14 1.62 0.01 -1.26 -4.87 113.70 115.86 1cx1 s SER 18 Ca 0.00 0.65 -0.21 0.00 1.31 0.00 0.00 55.95 57.70 1cx1 s SER 18 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1cx1 s SER 18 CO 0.00 0.26 1.67 -0.07 0.41 0.00 0.00 173.24 175.51 1cx1 h LEU 19 N 4.09 -0.44 0.00 2.44 3.38 -1.90 -3.41 115.31 119.48 1cx1 h LEU 19 Ca -0.50 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1cx1 h LEU 19 Cb 1.20 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1cx1 h LEU 19 CO 0.65 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1cx1 n GLY 20 N -1.29 -1.21 0.22 0.83 0.00 -1.26 -4.60 105.19 97.87 1cx1 n GLY 20 Ca -0.02 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 43.99 1cx1 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 h PRO 21 N 3.32 0.00 0.00 1.61 0.13 -1.99 -3.45 132.00 131.61 1cx1 h PRO 21 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1cx1 h PRO 21 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1cx1 h PRO 21 CO 0.00 0.00 -0.06 0.91 -0.23 0.00 0.00 178.00 178.62 1cx1 n TRP 22 N -2.86 -2.12 -4.33 1.56 7.02 -1.26 -4.96 117.44 110.49 1cx1 n TRP 22 Ca 0.02 -0.15 -0.18 0.00 -1.02 0.00 0.00 57.50 56.17 1cx1 n TRP 22 Cb 0.35 -0.65 -0.09 0.00 -2.42 0.00 0.00 31.31 28.49 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 -2.01 1.45 -0.29 -0.99 0.01 0.83 -4.94 113.70 107.75 1cx1 s SER 23 Ca 0.22 -1.53 -0.26 0.00 1.31 0.00 0.00 55.95 55.69 1cx1 s SER 23 Cb -0.04 0.36 0.19 0.00 0.21 0.00 0.00 66.02 66.74 1cx1 s SER 23 CO 0.19 -0.87 1.39 -1.48 0.41 0.00 0.00 173.24 172.88 1cx1 s LEU 24 N -3.36 -0.08 -0.06 2.44 0.05 -1.26 -1.27 118.68 115.14 1cx1 s LEU 24 Ca 0.36 0.14 -0.32 0.00 0.05 0.00 0.00 54.13 54.36 1cx1 s LEU 24 Cb 0.05 1.16 0.13 0.00 -2.05 0.00 0.00 46.19 45.49 1cx1 s LEU 24 CO 0.17 -0.04 1.37 -0.72 -0.55 0.00 0.00 176.35 176.58 1cx1 s TYR 25 N -0.24 -0.02 0.00 3.48 1.13 -1.16 -4.99 117.35 115.55 1cx1 s TYR 25 Ca 0.07 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1cx1 s TYR 25 Cb -0.04 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1cx1 s TYR 25 CO -0.13 -0.13 0.00 0.41 -2.51 0.00 0.00 175.55 173.19 1cx1 n GLY 26 N -0.53 2.96 0.00 5.49 0.00 -1.21 -2.59 105.19 109.31 1cx1 n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.05 0.00 -2.14 2.61 5.66 -1.26 -4.30 114.28 114.79 1cx1 n THR 27 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1cx1 n THR 27 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1cx1 n THR 27 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 28 N 0.00 0.07 -4.54 1.09 3.41 -1.26 -4.99 113.62 107.40 1cx1 n SER 28 Ca 0.00 -1.06 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 1cx1 n SER 28 Cb 0.00 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1cx1 n SER 28 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1cx1 s GLU 29 N -2.61 3.44 0.14 4.33 -1.05 -1.26 -4.79 118.70 116.90 1cx1 s GLU 29 Ca 0.04 -0.15 -0.33 0.00 -0.15 0.00 0.00 54.97 54.38 1cx1 s GLU 29 Cb -0.00 -3.91 -0.17 0.00 -0.44 0.00 0.00 34.13 29.61 1cx1 s GLU 29 CO 0.03 -0.97 0.99 -2.30 0.95 0.00 0.00 175.26 173.95 1cx1 n PRO 30 N 6.37 0.64 -3.94 -4.83 -0.02 -1.26 -4.89 135.00 127.06 1cx1 n PRO 30 Ca 0.00 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 1cx1 n PRO 30 Cb 0.48 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.36 2.68 -1.05 -1.45 1.01 -1.15 -4.84 120.40 115.24 1cx1 s VAL 31 Ca 0.75 -1.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1cx1 s VAL 31 Cb -0.96 -2.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1cx1 s VAL 31 CO 0.54 -0.35 1.93 2.22 0.00 0.00 0.00 175.10 179.44 1cx1 n PHE 32 N 4.47 2.37 0.00 5.22 1.16 -1.25 -3.03 117.46 126.41 1cx1 n PHE 32 Ca -0.06 -1.47 0.00 0.00 -1.87 0.00 0.00 57.45 54.05 1cx1 n PHE 32 Cb 0.42 -2.35 0.00 0.00 -1.61 0.00 0.00 39.48 35.94 1cx1 n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cx1 n ALA 33 N 12.82 0.00 -0.50 1.98 0.00 0.76 -4.63 120.51 130.94 1cx1 n ALA 33 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1cx1 n ALA 33 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.67 0.00 5.75 -1.26 -4.00 116.55 114.37 1cx1 n ASP 34 Ca 0.00 0.52 -0.08 0.00 -0.01 0.00 0.00 54.79 55.22 1cx1 n ASP 34 Cb 0.00 -0.14 0.04 0.00 -1.03 0.00 0.00 41.12 40.00 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 -0.93 1.49 3.60 6.12 0.00 -1.26 -4.92 105.19 109.30 1cx1 n GLY 35 Ca 0.00 -1.10 -0.07 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 -2.60 0.37 -0.12 1.61 1.70 -1.26 -4.33 118.95 114.31 1cx1 s ARG 36 Ca 0.26 0.08 -0.02 0.00 -0.47 0.00 0.00 55.73 55.58 1cx1 s ARG 36 Cb 0.45 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.97 1cx1 s ARG 36 CO 0.02 -0.12 -0.04 0.00 -1.08 0.00 0.00 175.30 174.09 1cx1 s MET 37 N -1.12 3.35 -0.05 3.89 0.23 0.71 -0.17 119.30 126.13 1cx1 s MET 37 Ca 0.03 -0.50 0.06 0.00 -1.03 0.00 0.00 55.69 54.25 1cx1 s MET 37 Cb -0.01 -2.83 -0.01 0.00 -1.53 0.00 0.00 34.83 30.46 1cx1 s MET 37 CO -0.03 0.42 -0.23 0.00 -2.03 0.00 0.00 175.02 173.16 1cx1 s VAL 39 N -0.13 4.46 -0.54 0.00 -7.23 -0.74 -2.93 120.40 113.30 1cx1 s VAL 39 Ca -0.03 -0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 59.63 1cx1 s VAL 39 Cb -0.13 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1cx1 s VAL 39 CO 0.03 0.58 1.34 -1.81 -0.31 0.00 0.00 175.10 174.92 1cx1 s ASP 40 N -1.00 6.28 -0.81 4.85 1.11 -1.26 -3.11 116.67 122.73 1cx1 s ASP 40 Ca 0.14 0.34 0.01 0.00 0.18 0.00 0.00 52.55 53.22 1cx1 s ASP 40 Cb -0.11 -2.55 0.20 0.00 1.07 0.00 0.00 42.92 41.53 1cx1 s ASP 40 CO 0.04 -1.57 0.66 -0.76 1.18 0.00 0.00 175.17 174.72 1cx1 s LEU 41 N 5.55 5.26 0.00 1.23 1.02 -0.40 -4.05 118.68 127.29 1cx1 s LEU 41 Ca 0.51 -3.75 0.00 0.00 0.02 0.00 0.00 54.13 50.91 1cx1 s LEU 41 Cb -0.10 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.31 1cx1 s LEU 41 CO 0.27 -0.15 0.00 -0.81 0.02 0.00 0.00 176.35 175.68 1cx1 n PRO 42 N 2.23 0.00 -3.63 1.29 -0.04 -1.24 0.10 135.00 133.70 1cx1 n PRO 42 Ca 0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1cx1 n PRO 42 Cb 0.36 -0.01 -0.07 0.00 -0.04 0.00 0.00 33.50 33.74 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 43 N 0.00 -0.50 0.00 0.55 0.00 -1.25 -1.50 107.32 104.61 1cx1 s GLY 43 Ca 0.00 2.23 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1cx1 s GLY 43 CO 0.00 1.94 0.00 0.61 0.00 0.00 0.00 173.10 175.65 1cx1 n GLY 44 N 3.06 0.19 2.70 0.20 0.00 -1.26 -4.81 105.19 105.28 1cx1 n GLY 44 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 5.23 -0.49 1.61 6.02 -1.26 -4.81 117.38 123.68 1cx1 n GLN 45 Ca 0.00 -4.59 0.39 0.00 -0.01 0.00 0.00 57.00 52.79 1cx1 n GLN 45 Cb 0.00 -2.49 0.62 0.00 1.02 0.00 0.00 30.24 29.39 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 0.30 -0.76 3.22 1.08 0.00 -1.26 -2.88 105.19 104.89 1cx1 n GLY 46 Ca 0.44 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.66 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 -4.11 5.61 0.00 1.61 4.22 -1.26 -4.82 114.94 116.19 1cx1 s ASN 47 Ca -0.05 -1.78 0.00 0.00 -2.14 0.00 0.00 52.86 48.89 1cx1 s ASN 47 Cb 0.24 -1.98 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1cx1 s ASN 47 CO 0.71 -0.62 0.20 -2.65 -2.04 0.00 0.00 177.10 172.71 1cx1 n PRO 48 N 4.87 0.00 -2.39 3.55 -0.02 -1.14 -4.23 135.00 135.65 1cx1 n PRO 48 Ca -0.08 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.11 1cx1 n PRO 48 Cb 0.42 -1.32 0.01 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.27 3.34 0.13 6.00 -0.00 -1.26 -4.52 117.44 123.39 1cx1 n TRP 49 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 57.50 54.51 1cx1 n TRP 49 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.06 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1cx1 n ASP 50 N -0.49 -2.26 -4.66 -0.67 8.00 -1.26 -5.09 116.55 110.11 1cx1 n ASP 50 Ca 0.41 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 56.06 1cx1 n ASP 50 Cb 0.61 2.29 -0.02 0.00 -0.02 0.00 0.00 41.12 43.98 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 s ALA 51 N -2.00 3.68 0.00 2.24 0.00 -1.22 -3.32 121.76 121.15 1cx1 s ALA 51 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1cx1 s ALA 51 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1cx1 s ALA 51 CO 0.00 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1cx1 n GLY 52 N 3.41 -0.75 4.00 0.00 0.00 -1.07 -3.21 105.19 107.57 1cx1 n GLY 52 Ca 0.11 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cx1 s LEU 53 N 0.00 3.79 0.22 0.99 2.01 -1.05 -2.98 118.68 121.66 1cx1 s LEU 53 Ca 0.00 -0.33 -0.17 0.00 0.01 0.00 0.00 54.13 53.64 1cx1 s LEU 53 Cb 0.00 -2.69 0.02 0.00 0.01 0.00 0.00 46.19 43.53 1cx1 s LEU 53 CO 0.00 -0.62 0.55 -0.69 1.01 0.00 0.00 176.35 176.60 1cx1 s VAL 54 N -2.28 0.02 0.00 -1.59 1.01 -0.39 -1.40 120.40 115.76 1cx1 s VAL 54 Ca 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1cx1 s VAL 54 Cb -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1cx1 s VAL 54 CO 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.35 1cx1 n TYR 55 N -0.37 0.00 -3.86 5.22 9.36 -0.73 -0.12 117.16 126.66 1cx1 n TYR 55 Ca -0.08 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.83 1cx1 n TYR 55 Cb 0.62 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.29 1cx1 n TYR 55 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1cx1 s ASN 56 N 0.00 6.39 0.00 2.98 0.02 -1.26 -0.91 114.94 122.15 1cx1 s ASN 56 Ca 0.00 0.35 0.00 0.00 -1.02 0.00 0.00 52.86 52.19 1cx1 s ASN 56 Cb 0.00 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.28 1cx1 s ASN 56 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.10 177.87 1cx1 n GLY 57 N 0.24 0.49 2.28 0.66 0.00 -1.25 -4.89 105.19 102.71 1cx1 n GLY 57 Ca -0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1cx1 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cx1 n VAL 58 N 0.00 -0.63 -1.51 1.61 0.31 -1.26 -4.87 118.33 111.99 1cx1 n VAL 58 Ca 0.00 -3.63 -0.43 0.00 -0.01 0.00 0.00 64.34 60.28 1cx1 n VAL 58 Cb 0.00 -1.47 -0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cx1 n PRO 59 N 1.53 0.82 -4.13 5.55 -0.02 -1.26 -4.64 135.00 132.84 1cx1 n PRO 59 Ca 0.20 0.29 -0.28 0.00 -2.02 0.00 0.00 63.50 61.69 1cx1 n PRO 59 Cb 0.54 -1.63 -0.17 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.30 1.35 -0.66 -1.45 1.01 -1.16 -5.00 120.40 113.19 1cx1 s VAL 60 Ca 0.62 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1cx1 s VAL 60 Cb -0.65 -1.29 0.17 0.00 0.00 0.00 0.00 36.38 34.62 1cx1 s VAL 60 CO 0.58 0.42 0.52 -0.83 0.00 0.00 0.00 175.10 175.79 1cx1 s GLY 61 N 1.37 2.49 -0.43 4.51 0.00 -1.26 -1.45 107.32 112.55 1cx1 s GLY 61 Ca 0.01 -3.18 -0.45 0.00 0.00 0.00 0.00 44.72 41.10 1cx1 s GLY 61 CO -0.07 1.15 1.61 -2.21 0.00 0.00 0.00 173.10 173.58 1cx1 n GLU 62 N 3.82 0.26 0.00 2.90 0.00 -1.26 -2.37 120.64 124.00 1cx1 n GLU 62 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1cx1 n GLU 62 Cb 0.41 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.21 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 3.95 3.86 4.04 8.31 0.00 -0.55 -4.90 105.19 119.90 1cx1 n GLY 63 Ca 0.30 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 2.24 -0.01 1.61 8.01 -1.00 -4.74 118.70 124.82 1cx1 s GLU 64 Ca 0.00 -1.70 0.08 0.00 0.01 0.00 0.00 54.97 53.36 1cx1 s GLU 64 Cb 0.00 -2.63 -0.02 0.00 -4.31 0.00 0.00 34.13 27.17 1cx1 s GLU 64 CO 0.00 -0.94 -0.26 -1.12 0.01 0.00 0.00 175.26 172.95 1cx1 s SER 65 N -4.71 3.03 0.46 -0.19 0.01 -1.26 0.20 113.70 111.24 1cx1 s SER 65 Ca 0.63 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1cx1 s SER 65 Cb -0.05 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1cx1 s SER 65 CO 0.40 0.30 0.35 -1.22 0.41 0.00 0.00 173.24 173.48 1cx1 n TYR 66 N 2.30 -0.78 -3.69 2.43 4.02 -0.97 -4.78 117.16 115.69 1cx1 n TYR 66 Ca -0.16 -1.94 -0.10 0.00 -0.01 0.00 0.00 57.90 55.69 1cx1 n TYR 66 Cb 0.51 -0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 1cx1 n TYR 66 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1cx1 s VAL 67 N -2.28 -0.02 0.06 -0.72 1.01 -1.06 -3.05 120.40 114.34 1cx1 s VAL 67 Ca 0.27 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1cx1 s VAL 67 Cb -0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1cx1 s VAL 67 CO 0.17 0.03 -0.05 -0.22 0.00 0.00 0.00 175.10 175.03 1cx1 s LEU 68 N 1.42 3.24 -0.42 3.92 0.20 -1.17 -1.88 118.68 123.99 1cx1 s LEU 68 Ca -0.09 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1cx1 s LEU 68 Cb -0.08 -1.94 0.13 0.00 -0.43 0.00 0.00 46.19 43.87 1cx1 s LEU 68 CO -0.14 0.22 0.22 -0.94 -0.29 0.00 0.00 176.35 175.43 1cx1 s SER 69 N -1.91 3.68 -0.03 3.68 1.04 -0.35 -2.43 113.70 117.37 1cx1 s SER 69 Ca 0.21 -2.50 -0.13 0.00 0.48 0.00 0.00 55.95 54.01 1cx1 s SER 69 Cb -0.11 -1.00 -0.05 0.00 0.10 0.00 0.00 66.02 64.95 1cx1 s SER 69 CO 0.13 -0.29 0.35 0.72 0.98 0.00 0.00 173.24 175.13 1cx1 s PHE 70 N 0.52 3.69 -0.12 5.02 -0.12 -1.13 -2.88 117.98 122.97 1cx1 s PHE 70 Ca 0.17 0.89 -0.12 0.00 -0.05 0.00 0.00 56.93 57.82 1cx1 s PHE 70 Cb -0.24 -2.23 -0.05 0.00 -0.63 0.00 0.00 43.02 39.88 1cx1 s PHE 70 CO -0.02 0.64 0.26 0.95 -0.05 0.00 0.00 175.22 177.00 1cx1 s THR 71 N -1.00 5.31 -2.66 -4.49 -4.23 -0.38 -1.33 115.64 106.87 1cx1 s THR 71 Ca 0.22 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1cx1 s THR 71 Cb -0.16 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1cx1 s THR 71 CO 0.11 0.49 0.00 0.00 -0.54 0.00 0.00 174.62 174.69 1cx1 n ALA 72 N 2.79 0.00 -3.59 3.99 0.00 -1.13 -3.54 120.51 119.03 1cx1 n ALA 72 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1cx1 n ALA 72 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1cx1 n ALA 72 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1cx1 s SER 73 N -3.93 -0.37 -0.14 0.00 1.04 -0.98 -3.84 113.70 105.48 1cx1 s SER 73 Ca 0.00 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1cx1 s SER 73 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1cx1 s SER 73 CO 0.00 -0.29 0.04 0.00 0.98 0.00 0.00 173.24 173.98 1cx1 s ALA 74 N -0.80 3.39 -0.14 5.32 0.00 0.33 -3.09 121.76 126.77 1cx1 s ALA 74 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1cx1 s ALA 74 Cb -0.02 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 21.38 1cx1 s ALA 74 CO -0.01 0.36 -0.02 0.95 0.00 0.00 0.00 175.76 177.04 1cx1 s THR 75 N -0.16 0.77 0.00 0.00 -4.23 -1.16 -2.95 115.64 107.91 1cx1 s THR 75 Ca 0.07 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1cx1 s THR 75 Cb -0.12 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1cx1 s THR 75 CO 0.01 0.14 0.00 -2.65 -0.54 0.00 0.00 174.62 171.59 1cx1 n PRO 76 N 5.00 3.08 -4.06 3.99 -0.02 -1.26 -2.35 135.00 139.38 1cx1 n PRO 76 Ca -0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.07 1cx1 n PRO 76 Cb 0.49 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 -1.69 5.60 0.00 2.55 1.01 -1.25 -4.64 116.67 118.25 1cx1 s ASP 77 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1cx1 s ASP 77 Cb 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.39 1cx1 s ASP 77 CO 0.00 0.20 0.00 1.15 0.21 0.00 0.00 175.17 176.73 1cx1 n MET 78 N 0.64 0.00 -2.25 8.23 0.00 -1.02 -5.02 117.12 117.69 1cx1 n MET 78 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.18 1cx1 n MET 78 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.71 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 4.06 0.64 3.17 0.04 -1.26 -3.08 135.00 136.57 1cx1 s PRO 79 Ca 0.00 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1cx1 s PRO 79 Cb 0.00 -3.90 0.11 0.00 0.04 0.00 0.00 34.50 30.75 1cx1 s PRO 79 CO 0.00 -0.95 0.88 0.14 0.04 0.00 0.00 177.00 177.11 1cx1 s VAL 80 N 4.18 2.06 0.14 -0.36 -7.23 -0.98 -4.84 120.40 113.37 1cx1 s VAL 80 Ca 0.63 -0.87 0.11 0.00 -1.81 0.00 0.00 61.98 60.04 1cx1 s VAL 80 Cb -0.24 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1cx1 s VAL 80 CO 0.23 0.00 -0.26 -0.60 -0.31 0.00 0.00 175.10 174.16 1cx1 s ARG 81 N -4.85 1.42 0.00 4.82 3.52 -1.13 -2.38 118.95 120.34 1cx1 s ARG 81 Ca 0.64 -1.38 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 1cx1 s ARG 81 Cb -0.05 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 1cx1 s ARG 81 CO 0.41 0.44 0.06 0.54 -0.81 0.00 0.00 175.30 175.94 1cx1 s VAL 82 N -1.20 0.08 -0.00 7.11 0.11 -1.13 -2.81 120.40 122.56 1cx1 s VAL 82 Ca 0.15 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.52 1cx1 s VAL 82 Cb -0.10 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1cx1 s VAL 82 CO 0.07 -0.35 0.11 -1.48 -3.33 0.00 0.00 175.10 170.12 1cx1 s LEU 83 N -1.12 1.65 0.19 2.54 0.05 -0.99 -3.15 118.68 117.86 1cx1 s LEU 83 Ca -0.12 -0.17 -0.16 0.00 0.05 0.00 0.00 54.13 53.72 1cx1 s LEU 83 Cb -0.07 0.55 0.02 0.00 -2.05 0.00 0.00 46.19 44.64 1cx1 s LEU 83 CO 0.00 -0.30 0.48 -0.69 -0.55 0.00 0.00 176.35 175.29 1cx1 s VAL 84 N -1.15 0.03 0.00 1.48 1.01 -0.66 -2.35 120.40 118.77 1cx1 s VAL 84 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1cx1 s VAL 84 Cb -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1cx1 s VAL 84 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1cx1 n GLY 85 N -0.32 -0.08 3.98 4.51 0.00 -0.95 -2.48 105.19 109.85 1cx1 n GLY 85 Ca -0.10 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.78 1.58 -0.46 1.61 1.03 -1.26 -1.29 118.70 118.14 1cx1 s GLU 86 Ca 0.00 -0.98 0.09 0.00 0.03 0.00 0.00 54.97 54.10 1cx1 s GLU 86 Cb 0.00 -2.27 0.37 0.00 -0.80 0.00 0.00 34.13 31.43 1cx1 s GLU 86 CO 0.00 -1.55 0.90 0.41 -1.33 0.00 0.00 175.26 173.69 1cx1 n GLY 87 N -2.94 4.54 0.00 -3.83 0.00 -0.85 -4.38 105.19 97.73 1cx1 n GLY 87 Ca 0.15 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.09 -2.25 7.00 -0.02 0.00 -1.26 -4.50 105.19 104.08 1cx1 n GLY 88 Ca 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.58 0.44 0.00 -0.02 0.00 -1.13 -2.15 105.19 101.75 1cx1 n GLY 89 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 5.11 1.49 -0.35 4.61 0.00 -1.26 -4.66 120.51 125.45 1cx1 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 90 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.66 0.00 -0.19 0.00 4.01 -0.91 -4.89 117.16 114.51 1cx1 n TYR 91 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1cx1 n TYR 91 Cb 0.00 -1.29 0.09 0.00 -0.31 0.00 0.00 39.34 37.82 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 -1.67 -1.43 -3.00 -0.72 1.85 -1.26 -4.88 116.66 105.54 1cx1 n ARG 92 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 57.85 56.42 1cx1 n ARG 92 Cb 0.00 -0.73 0.00 0.00 -1.05 0.00 0.00 32.46 30.68 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 -3.66 0.00 0.00 8.89 5.66 -1.26 -4.28 114.28 119.63 1cx1 n THR 93 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1cx1 n THR 93 Cb 0.18 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 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 0.00 1.64 -1.11 1.79 0.00 -1.25 -4.71 120.51 116.86 1cx1 n ALA 94 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1cx1 n ALA 94 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.30 1.69 -1.79 0.00 -0.00 -1.03 -4.72 117.46 110.30 1cx1 n PHE 95 Ca 0.00 -2.04 -0.40 0.00 -0.00 0.00 0.00 57.45 55.01 1cx1 n PHE 95 Cb 0.08 -1.12 -0.01 0.00 -0.00 0.00 0.00 39.48 38.43 1cx1 n PHE 95 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1cx1 n GLU 96 N 0.41 4.20 -3.81 -4.13 0.28 -1.26 -1.65 120.64 114.68 1cx1 n GLU 96 Ca 0.38 -3.04 -0.20 0.00 -0.16 0.00 0.00 57.16 54.14 1cx1 n GLU 96 Cb 0.58 -2.73 -0.02 0.00 1.43 0.00 0.00 31.44 30.70 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1cx1 s GLN 97 N 0.14 3.34 0.00 3.44 0.74 -1.19 -5.02 119.66 121.12 1cx1 s GLN 97 Ca 0.58 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1cx1 s GLN 97 Cb 0.18 -2.87 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1cx1 s GLN 97 CO -0.08 0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 1cx1 n GLY 98 N -1.48 0.00 3.55 2.59 0.00 -1.26 -2.82 105.19 105.77 1cx1 n GLY 98 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1cx1 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 s SER 99 N -1.50 5.13 -0.44 1.61 0.01 -1.26 -3.60 113.70 113.65 1cx1 s SER 99 Ca 0.00 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.28 1cx1 s SER 99 Cb 0.00 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.88 1cx1 s SER 99 CO 0.00 -2.59 0.41 0.00 0.41 0.00 0.00 173.24 171.46 1cx1 n ALA 100 N 13.58 2.86 -1.70 1.44 0.00 -1.00 -5.00 120.51 130.69 1cx1 n ALA 100 Ca 0.30 -3.36 -0.54 0.00 0.00 0.00 0.00 53.44 49.84 1cx1 n ALA 100 Cb 0.50 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 1cx1 n ALA 100 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1cx1 n PRO 101 N 2.37 1.59 -3.95 0.00 -0.02 -1.26 -2.31 135.00 131.43 1cx1 n PRO 101 Ca 0.27 0.58 -0.16 0.00 -2.02 0.00 0.00 63.50 62.18 1cx1 n PRO 101 Cb 0.48 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 1cx1 n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s LEU 102 N 3.80 1.42 0.00 2.45 1.43 -1.18 -4.92 118.68 121.67 1cx1 s LEU 102 Ca 0.96 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1cx1 s LEU 102 Cb -0.91 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1cx1 s LEU 102 CO 0.60 -0.06 0.00 1.07 0.23 0.00 0.00 176.35 178.19 1cx1 n THR 103 N 3.80 0.00 -2.04 5.49 5.66 -1.26 -2.44 114.28 123.49 1cx1 n THR 103 Ca -0.23 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.39 1cx1 n THR 103 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 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 2.79 5.28 2.79 1.09 0.00 -1.15 0.12 105.19 116.11 1cx1 n GLY 104 Ca 0.00 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1cx1 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cx1 s GLU 105 N -1.89 1.87 -0.09 1.61 2.02 -1.26 -5.01 118.70 115.95 1cx1 s GLU 105 Ca 0.52 -2.72 -0.38 0.00 0.02 0.00 0.00 54.97 52.41 1cx1 s GLU 105 Cb 0.22 -2.85 -0.16 0.00 0.10 0.00 0.00 34.13 31.44 1cx1 s GLU 105 CO -0.13 -1.24 1.56 -2.30 0.02 0.00 0.00 175.26 173.18 1cx1 n PRO 106 N 2.67 1.23 0.00 0.39 -0.02 -1.26 -4.79 135.00 133.22 1cx1 n PRO 106 Ca 0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1cx1 n PRO 106 Cb 0.36 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cx1 n ALA 107 N 4.09 0.00 -2.64 3.55 0.00 -1.25 -4.98 120.51 119.27 1cx1 n ALA 107 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 1cx1 n ALA 107 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1cx1 n ALA 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cx1 s THR 108 N -2.00 5.08 -0.10 0.00 -4.23 -1.26 -2.85 115.64 110.28 1cx1 s THR 108 Ca 0.00 1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.57 1cx1 s THR 108 Cb 0.00 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1cx1 s THR 108 CO 0.00 0.35 0.13 -0.13 -0.54 0.00 0.00 174.62 174.43 1cx1 s ARG 109 N 0.34 3.39 -0.21 3.99 3.00 -0.44 -4.85 118.95 124.17 1cx1 s ARG 109 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 55.73 55.78 1cx1 s ARG 109 Cb -0.17 -3.13 -0.02 0.00 0.00 0.00 0.00 34.95 31.63 1cx1 s ARG 109 CO 0.14 0.76 0.00 -1.21 0.00 0.00 0.00 175.30 174.99 1cx1 s GLU 110 N -1.16 3.59 -0.23 3.54 2.02 -1.26 -2.84 118.70 122.36 1cx1 s GLU 110 Ca 0.17 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 1cx1 s GLU 110 Cb -0.12 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 1cx1 s GLU 110 CO 0.06 -0.04 0.00 0.71 0.02 0.00 0.00 175.26 176.01 1cx1 s TYR 111 N 1.15 3.01 -0.24 1.61 1.51 -1.02 -4.94 117.35 118.42 1cx1 s TYR 111 Ca 0.03 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.19 1cx1 s TYR 111 Cb -0.14 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1cx1 s TYR 111 CO 0.01 -0.49 0.16 0.00 -1.11 0.00 0.00 175.55 174.12 1cx1 s ALA 112 N 1.52 3.60 0.20 3.71 0.00 -1.26 -3.02 121.76 126.52 1cx1 s ALA 112 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1cx1 s ALA 112 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1cx1 s ALA 112 CO -0.01 -0.22 0.01 -0.59 0.00 0.00 0.00 175.76 174.95 1cx1 s PHE 113 N 1.11 1.37 -0.19 0.00 -0.71 -1.17 -5.02 117.98 113.36 1cx1 s PHE 113 Ca 0.08 -1.00 -0.05 0.00 -1.04 0.00 0.00 56.93 54.91 1cx1 s PHE 113 Cb -0.14 -0.79 -0.03 0.00 -1.21 0.00 0.00 43.02 40.86 1cx1 s PHE 113 CO 0.05 -0.17 0.00 0.95 -1.34 0.00 0.00 175.22 174.72 1cx1 s THR 114 N -3.58 4.02 -0.03 -4.49 -4.23 -1.26 -2.30 115.64 103.76 1cx1 s THR 114 Ca 0.27 -0.29 -0.36 0.00 -1.18 0.00 0.00 61.69 60.13 1cx1 s THR 114 Cb 0.06 -2.81 -0.14 0.00 1.34 0.00 0.00 72.50 70.95 1cx1 s THR 114 CO 0.07 0.44 1.69 -1.20 -0.54 0.00 0.00 174.62 175.07 1cx1 n SER 115 N 4.11 2.86 -0.06 3.99 7.64 0.52 -4.85 113.62 127.84 1cx1 n SER 115 Ca -0.17 1.05 -0.12 0.00 1.01 0.00 0.00 58.87 60.64 1cx1 n SER 115 Cb 0.52 -1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 62.36 1cx1 n SER 115 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cx1 n ASN 116 N 4.87 1.62 -4.29 6.43 5.03 -1.26 -1.48 115.26 126.17 1cx1 n ASN 116 Ca 0.21 0.08 -0.30 0.00 0.87 0.00 0.00 54.58 55.44 1cx1 n ASN 116 Cb 0.24 -0.31 -0.16 0.00 -1.02 0.00 0.00 39.78 38.54 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1cx1 s LEU 117 N -6.34 2.05 0.76 3.41 2.01 -1.26 -4.62 118.68 114.68 1cx1 s LEU 117 Ca -0.17 -0.45 -0.11 0.00 0.01 0.00 0.00 54.13 53.41 1cx1 s LEU 117 Cb 0.06 -1.28 0.05 0.00 0.01 0.00 0.00 46.19 45.03 1cx1 s LEU 117 CO 0.24 0.30 1.09 0.42 1.01 0.00 0.00 176.35 179.41 1cx1 s THR 118 N -0.55 3.37 -0.34 5.49 -4.23 -1.26 -3.98 115.64 114.14 1cx1 s THR 118 Ca 0.09 0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1cx1 s THR 118 Cb -0.10 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.96 1cx1 s THR 118 CO -0.01 -0.57 0.84 -0.36 -0.54 0.00 0.00 174.62 173.99 1cx1 s PHE 119 N -2.87 -1.07 0.73 3.99 0.08 -0.53 -4.92 117.98 113.40 1cx1 s PHE 119 Ca 0.61 0.33 -0.11 0.00 0.12 0.00 0.00 56.93 57.88 1cx1 s PHE 119 Cb -0.17 0.19 0.03 0.00 -0.57 0.00 0.00 43.02 42.50 1cx1 s PHE 119 CO 0.55 -0.69 1.11 -1.25 -0.10 0.00 0.00 175.22 174.84 1cx1 s PRO 120 N 2.25 2.65 0.22 0.24 0.04 -1.26 -2.99 135.00 136.16 1cx1 s PRO 120 Ca 0.17 0.37 0.26 0.00 0.04 0.00 0.00 61.00 61.84 1cx1 s PRO 120 Cb -0.02 -2.01 0.79 0.00 0.04 0.00 0.00 34.50 33.30 1cx1 s PRO 120 CO -0.16 -1.16 1.77 -1.00 0.04 0.00 0.00 177.00 176.49 1cx1 h PRO 121 N -0.74 0.00 -5.52 0.56 0.13 -1.90 -3.32 132.00 121.21 1cx1 h PRO 121 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1cx1 h PRO 121 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 1cx1 h PRO 121 CO 0.64 0.00 -0.68 0.34 -0.23 0.00 0.00 178.00 178.07 1cx1 s ASP 122 N -4.62 4.70 0.00 1.44 2.15 -1.26 -4.56 116.67 114.52 1cx1 s ASP 122 Ca 0.10 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1cx1 s ASP 122 Cb 0.12 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.13 1cx1 s ASP 122 CO 0.60 0.22 0.00 0.61 -0.17 0.00 0.00 175.17 176.43 1cx1 n GLY 123 N 3.17 0.37 1.96 2.66 0.00 -1.26 -4.82 105.19 107.27 1cx1 n GLY 123 Ca -0.18 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 4.42 -2.65 1.61 9.92 -1.26 -4.82 116.55 123.77 1cx1 n ASP 124 Ca 0.00 -3.63 -0.04 0.00 -0.53 0.00 0.00 54.79 50.59 1cx1 n ASP 124 Cb 0.00 -0.36 0.07 0.00 -0.64 0.00 0.00 41.12 40.19 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 125 N -0.73 -3.99 -1.00 2.24 0.00 -1.26 -2.83 120.51 112.94 1cx1 n ALA 125 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1cx1 n ALA 125 Cb 0.94 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 1.62 1.24 -1.59 0.00 -0.04 -1.25 -4.26 135.00 130.72 1cx1 n PRO 126 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1cx1 n PRO 126 Cb 0.71 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.24 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 -0.86 2.28 -0.17 0.55 0.00 -1.26 -2.00 107.32 105.87 1cx1 s GLY 127 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 44.72 45.37 1cx1 s GLY 127 CO 0.00 1.13 0.41 1.62 0.00 0.00 0.00 173.10 176.26 1cx1 s GLN 128 N -3.95 0.40 -0.00 2.90 2.00 -0.41 -3.89 119.66 116.70 1cx1 s GLN 128 Ca 0.71 0.78 0.01 0.00 -2.00 0.00 0.00 55.36 54.86 1cx1 s GLN 128 Cb -0.26 -0.01 -0.00 0.00 0.80 0.00 0.00 33.01 33.54 1cx1 s GLN 128 CO 0.43 -0.15 -0.02 0.08 -0.50 0.00 0.00 175.29 175.13 1cx1 s VAL 129 N 1.35 0.15 -0.30 1.34 1.01 -0.09 -2.25 120.40 121.61 1cx1 s VAL 129 Ca -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1cx1 s VAL 129 Cb -0.08 -0.14 0.17 0.00 0.00 0.00 0.00 36.38 36.33 1cx1 s VAL 129 CO -0.12 0.05 0.64 0.00 0.00 0.00 0.00 175.10 175.67 1cx1 s ALA 130 N 0.01 -2.26 -0.40 5.51 0.00 -0.99 -1.77 121.76 121.85 1cx1 s ALA 130 Ca 0.00 1.98 -0.21 0.00 0.00 0.00 0.00 51.96 53.73 1cx1 s ALA 130 Cb -0.01 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.05 1cx1 s ALA 130 CO -0.00 -1.21 0.67 -0.06 0.00 0.00 0.00 175.76 175.15 1cx1 s PHE 131 N 2.87 3.09 -0.19 0.00 0.08 -0.49 -2.34 117.98 121.00 1cx1 s PHE 131 Ca 0.12 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.24 1cx1 s PHE 131 Cb -0.14 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.95 1cx1 s PHE 131 CO -0.20 -0.78 0.14 -1.01 -0.10 0.00 0.00 175.22 173.26 1cx1 s HIS 132 N 2.86 3.44 0.00 0.36 3.76 -1.12 -2.52 115.29 122.07 1cx1 s HIS 132 Ca 0.25 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 1cx1 s HIS 132 Cb -0.14 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.41 1cx1 s HIS 132 CO 0.18 0.35 0.00 1.28 -0.85 0.00 0.00 174.74 175.69 1cx1 n LEU 133 N 3.32 0.00 -3.14 0.89 4.32 -1.20 -2.84 117.00 118.36 1cx1 n LEU 133 Ca -0.16 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.44 1cx1 n LEU 133 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 1cx1 n LEU 133 CO 0.36 0.00 0.25 0.61 -1.22 0.00 0.00 177.39 177.40 1cx1 n GLY 134 N 0.48 -0.57 3.58 -0.72 0.00 -1.22 -4.67 105.19 102.06 1cx1 n GLY 134 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.26 0.37 0.54 1.61 1.02 -1.25 -3.74 119.74 118.03 1cx1 s LYS 135 Ca 0.57 0.71 0.03 0.00 0.02 0.00 0.00 55.97 57.31 1cx1 s LYS 135 Cb -0.81 0.20 0.19 0.00 -0.52 0.00 0.00 37.83 36.89 1cx1 s LYS 135 CO 0.40 -0.09 1.02 0.00 -0.92 0.00 0.00 175.35 175.76 1cx1 h ALA 136 N 6.53 1.73 0.00 5.17 0.00 -1.81 5.06 119.26 135.93 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cx1 h ALA 136 CO 0.16 -0.73 -0.09 0.41 0.00 0.00 0.00 179.25 179.00 1cx1 n GLY 137 N -1.38 3.69 0.00 0.00 0.00 -1.25 -4.07 105.19 102.18 1cx1 n GLY 137 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.04 0.00 -2.05 4.61 0.00 1.65 -4.98 120.51 118.70 1cx1 n ALA 138 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1cx1 n ALA 138 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.22 0.00 -4.74 0.00 4.11 0.28 -4.81 117.16 111.79 1cx1 n TYR 139 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 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 3.98 1.99 -0.30 -3.48 0.41 -0.99 -1.28 118.70 119.03 1cx1 s GLU 140 Ca 0.00 -0.53 -0.07 0.00 -0.41 0.00 0.00 54.97 53.96 1cx1 s GLU 140 Cb 0.00 -1.60 0.01 0.00 -1.78 0.00 0.00 34.13 30.75 1cx1 s GLU 140 CO 0.00 0.08 0.09 0.12 -0.49 0.00 0.00 175.26 175.07 1cx1 s PHE 141 N 0.53 3.16 -0.28 1.61 5.36 -1.18 -3.01 117.98 124.16 1cx1 s PHE 141 Ca -0.14 -0.94 -0.05 0.00 -0.96 0.00 0.00 56.93 54.84 1cx1 s PHE 141 Cb -0.16 -2.27 0.02 0.00 -0.34 0.00 0.00 43.02 40.27 1cx1 s PHE 141 CO 0.05 -0.57 0.03 0.00 -1.46 0.00 0.00 175.22 173.27 1cx1 s ILE 143 N 1.42 1.81 0.00 0.00 2.07 -0.21 -2.32 121.20 123.98 1cx1 s ILE 143 Ca 0.01 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1cx1 s ILE 143 Cb -0.17 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 40.85 1cx1 s ILE 143 CO 0.00 0.24 0.00 -1.54 -1.91 0.00 0.00 174.94 171.73 1cx1 n SER 144 N 1.78 0.62 -3.47 4.50 3.41 -1.23 -0.21 113.62 119.02 1cx1 n SER 144 Ca -0.17 -0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.15 1cx1 n SER 144 Cb 0.53 0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.57 1.22 -0.28 4.33 -0.21 -1.26 0.44 119.66 123.32 1cx1 s GLN 145 Ca 0.00 -0.43 -0.16 0.00 0.02 0.00 0.00 55.36 54.79 1cx1 s GLN 145 Cb 0.00 0.56 0.10 0.00 1.00 0.00 0.00 33.01 34.67 1cx1 s GLN 145 CO 0.00 -0.51 0.76 0.08 -2.12 0.00 0.00 175.29 173.50 1cx1 s VAL 146 N -3.49 -0.03 -0.20 1.09 1.01 -1.26 -1.25 120.40 116.27 1cx1 s VAL 146 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1cx1 s VAL 146 Cb -0.01 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.47 1cx1 s VAL 146 CO -0.11 0.00 0.85 -0.94 0.00 0.00 0.00 175.10 174.91 1cx1 s SER 147 N 1.60 -0.57 0.32 3.32 1.04 -1.14 -4.34 113.70 113.94 1cx1 s SER 147 Ca -0.10 0.93 0.08 0.00 0.48 0.00 0.00 55.95 57.34 1cx1 s SER 147 Cb -0.05 0.88 -0.06 0.00 0.10 0.00 0.00 66.02 66.89 1cx1 s SER 147 CO -0.19 -0.32 -0.08 -1.48 0.98 0.00 0.00 173.24 172.16 1cx1 s LEU 148 N -0.29 2.64 0.00 2.42 0.05 -1.26 -1.22 118.68 121.02 1cx1 s LEU 148 Ca -0.02 -1.20 -0.14 0.00 0.05 0.00 0.00 54.13 52.83 1cx1 s LEU 148 Cb -0.03 -0.86 0.04 0.00 -2.05 0.00 0.00 46.19 43.29 1cx1 s LEU 148 CO 0.01 -0.26 0.62 1.07 -0.55 0.00 0.00 176.35 177.24 1cx1 n THR 149 N -0.72 0.00 -2.88 5.48 5.66 -0.79 -3.32 114.28 117.71 1cx1 n THR 149 Ca -0.05 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1cx1 n THR 149 Cb 0.63 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.45 0.00 0.00 1.09 5.66 -1.26 -2.55 114.28 116.77 1cx1 n THR 150 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1cx1 n THR 150 Cb 0.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 0.00 0.00 1.09 2.88 -0.36 -4.46 113.62 112.77 1cx1 n SER 151 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 n ALA 152 N 1.26 0.00 -0.06 -1.46 0.00 -1.25 -3.45 120.51 115.55 1cx1 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91