#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 0.00 0.00 3.41 -1.26 -4.92 113.62 110.85 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1cx1 n LEU 3 N 0.00 0.00 -3.95 1.04 7.94 -1.26 -4.65 117.00 116.12 1cx1 n LEU 3 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 1cx1 n LEU 3 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1cx1 n LEU 3 CO 0.00 -0.17 -0.55 0.47 -1.11 0.00 0.00 177.39 176.02 1cx1 n ASP 4 N -3.35 -2.60 0.00 1.96 9.92 -1.26 -4.69 116.55 116.54 1cx1 n ASP 4 Ca 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1cx1 n ASP 4 Cb 0.00 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1cx1 n SER 5 N 1.25 0.00 -4.60 -2.24 2.88 -1.26 -4.93 113.62 104.72 1cx1 n SER 5 Ca 0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.21 1cx1 n SER 5 Cb 0.36 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.71 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cx1 s GLU 6 N -2.58 3.54 -0.73 -1.46 2.02 -1.26 -4.95 118.70 113.27 1cx1 s GLU 6 Ca 0.00 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1cx1 s GLU 6 Cb 0.00 -2.96 0.37 0.00 0.10 0.00 0.00 34.13 31.64 1cx1 s GLU 6 CO 0.00 0.40 1.67 0.28 0.02 0.00 0.00 175.26 177.62 1cx1 n VAL 7 N 3.09 3.48 -1.46 2.63 0.31 -1.26 -5.00 118.33 120.12 1cx1 n VAL 7 Ca -0.18 -4.76 -0.47 0.00 -0.01 0.00 0.00 64.34 58.92 1cx1 n VAL 7 Cb 0.53 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 1cx1 n VAL 7 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1cx1 n GLU 8 N -0.45 0.83 -0.33 5.55 4.07 -1.26 -4.75 120.64 124.30 1cx1 n GLU 8 Ca 0.47 0.18 -0.05 0.00 -0.06 0.00 0.00 57.16 57.70 1cx1 n GLU 8 Cb 0.37 -2.40 0.06 0.00 -0.06 0.00 0.00 31.44 29.41 1cx1 n GLU 8 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1cx1 n LEU 9 N 10.79 3.74 -3.21 4.31 4.77 -1.26 -4.46 117.00 131.68 1cx1 n LEU 9 Ca 0.45 -1.93 -0.04 0.00 -0.03 0.00 0.00 56.01 54.47 1cx1 n LEU 9 Cb 0.23 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1cx1 n LEU 9 CO 0.79 0.60 0.03 -0.22 -1.33 0.00 0.00 177.39 177.26 1cx1 s LEU 10 N -0.91 -1.18 0.00 2.23 1.98 -1.26 -5.02 118.68 114.52 1cx1 s LEU 10 Ca 0.16 -1.06 0.00 0.00 -2.89 0.00 0.00 54.13 50.34 1cx1 s LEU 10 Cb 0.13 1.63 0.00 0.00 0.66 0.00 0.00 46.19 48.62 1cx1 s LEU 10 CO 0.03 -0.18 0.10 -2.65 -1.89 0.00 0.00 176.35 171.77 1cx1 n PRO 11 N 4.24 0.00 -3.18 0.98 -0.02 -1.26 -4.34 135.00 131.41 1cx1 n PRO 11 Ca 0.12 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1cx1 n PRO 11 Cb 0.54 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.58 -1.63 -0.31 6.00 2.46 -1.26 -5.03 115.29 117.10 1cx1 s HIS 12 Ca 0.00 1.11 0.18 0.00 0.47 0.00 0.00 55.06 56.81 1cx1 s HIS 12 Cb 0.00 0.29 0.46 0.00 -0.13 0.00 0.00 32.58 33.20 1cx1 s HIS 12 CO 0.00 -1.01 1.20 -2.37 -2.47 0.00 0.00 174.74 170.09 1cx1 n THR 13 N 5.41 0.75 -2.96 0.89 5.66 -1.26 -4.90 114.28 117.87 1cx1 n THR 13 Ca 0.03 -2.35 -0.08 0.00 -3.05 0.00 0.00 64.05 58.60 1cx1 n THR 13 Cb 0.52 1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 70.33 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1cx1 s SER 14 N -2.70 -0.80 0.00 1.09 0.01 -1.26 -1.97 113.70 108.06 1cx1 s SER 14 Ca 0.22 -1.86 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1cx1 s SER 14 Cb 0.39 1.42 0.00 0.00 0.21 0.00 0.00 66.02 68.04 1cx1 s SER 14 CO -0.05 -0.10 0.78 0.49 0.41 0.00 0.00 173.24 174.78 1cx1 n PHE 15 N 3.17 0.00 0.08 2.43 3.72 -1.17 -3.74 117.46 121.93 1cx1 n PHE 15 Ca 0.19 -0.39 -0.07 0.00 -0.05 0.00 0.00 57.45 57.13 1cx1 n PHE 15 Cb 0.54 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cx1 h ALA 16 N 2.39 0.45 -1.08 4.37 0.00 -1.77 -3.36 119.26 120.26 1cx1 h ALA 16 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1cx1 h ALA 16 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cx1 h ALA 16 CO 0.00 1.13 0.00 0.39 0.00 0.00 0.00 179.25 180.77 1cx1 n GLU 17 N -3.46 0.00 -4.33 0.00 1.02 -1.25 -4.39 120.64 108.24 1cx1 n GLU 17 Ca -0.01 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 1cx1 n GLU 17 Cb 0.88 -0.15 -0.09 0.00 -0.02 0.00 0.00 31.44 32.05 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 -2.88 4.90 0.19 1.62 0.01 -1.26 -4.88 113.70 111.41 1cx1 s SER 18 Ca 0.00 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 1cx1 s SER 18 Cb 0.00 -1.21 0.22 0.00 0.21 0.00 0.00 66.02 65.24 1cx1 s SER 18 CO 0.00 0.27 1.68 -0.07 0.41 0.00 0.00 173.24 175.53 1cx1 h LEU 19 N 4.29 -0.19 0.00 2.44 3.38 -1.93 -3.41 115.31 119.90 1cx1 h LEU 19 Ca -0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1cx1 h LEU 19 Cb 1.17 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1cx1 h LEU 19 CO 0.56 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1cx1 n GLY 20 N -1.32 -2.42 0.27 0.83 0.00 -1.26 -4.48 105.19 96.80 1cx1 n GLY 20 Ca 0.07 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 -6.35 1.61 0.13 -1.97 -3.45 132.00 121.97 1cx1 h PRO 21 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1cx1 h PRO 21 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 1cx1 h PRO 21 CO 0.00 0.03 -0.18 0.91 -0.23 0.00 0.00 178.00 178.54 1cx1 n TRP 22 N -3.15 -2.90 -4.14 1.56 7.02 -1.26 -4.96 117.44 109.61 1cx1 n TRP 22 Ca 0.00 -0.31 -0.11 0.00 -1.02 0.00 0.00 57.50 56.06 1cx1 n TRP 22 Cb 0.31 -1.37 -0.09 0.00 -2.42 0.00 0.00 31.31 27.74 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 -2.39 0.19 -0.04 -0.99 0.01 0.17 -4.96 113.70 105.69 1cx1 s SER 23 Ca 0.47 -1.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.19 1cx1 s SER 23 Cb -0.09 0.36 0.12 0.00 0.21 0.00 0.00 66.02 66.63 1cx1 s SER 23 CO 0.41 -0.82 1.24 -1.48 0.41 0.00 0.00 173.24 172.99 1cx1 s LEU 24 N -3.08 -0.09 0.00 2.44 -0.00 -1.26 0.11 118.68 116.80 1cx1 s LEU 24 Ca 0.29 -0.13 0.00 0.00 -0.00 0.00 0.00 54.13 54.30 1cx1 s LEU 24 Cb 0.06 1.46 0.00 0.00 -0.00 0.00 0.00 46.19 47.71 1cx1 s LEU 24 CO 0.06 -0.34 0.00 0.00 -0.00 0.00 0.00 176.35 176.07 1cx1 n TYR 25 N -0.40 0.00 0.00 3.48 0.18 -1.13 -4.99 117.16 114.30 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 0.62 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.58 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 -0.42 2.92 0.00 -7.48 0.00 -1.26 -1.98 105.19 96.97 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 -1.48 2.61 5.66 -1.26 -4.82 114.28 114.76 1cx1 n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 27 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 -4.54 1.09 3.41 -1.22 -5.02 113.62 107.34 1cx1 n SER 28 Ca 0.00 -0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 57.80 1cx1 n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.09 3.46 0.97 4.33 -1.05 -1.26 -4.86 118.70 120.38 1cx1 s GLU 29 Ca 0.00 -0.13 -0.15 0.00 -0.15 0.00 0.00 54.97 54.54 1cx1 s GLU 29 Cb 0.00 -3.90 -0.07 0.00 -0.44 0.00 0.00 34.13 29.73 1cx1 s GLU 29 CO 0.00 -0.96 -0.24 -2.30 0.95 0.00 0.00 175.26 172.72 1cx1 n PRO 30 N 6.35 -0.12 -3.52 -4.83 -0.02 -1.26 -4.90 135.00 126.69 1cx1 n PRO 30 Ca -0.00 -0.02 -0.21 0.00 -2.02 0.00 0.00 63.50 61.25 1cx1 n PRO 30 Cb 0.48 -1.40 -0.14 0.00 -0.02 0.00 0.00 33.50 32.43 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 -2.17 -0.25 -0.84 -1.45 1.01 -1.04 -4.92 120.40 110.74 1cx1 s VAL 31 Ca 0.48 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 1cx1 s VAL 31 Cb -0.20 -0.67 -0.15 0.00 0.00 0.00 0.00 36.38 35.36 1cx1 s VAL 31 CO 0.75 -0.26 1.91 2.22 0.00 0.00 0.00 175.10 179.73 1cx1 n PHE 32 N 5.30 2.00 0.00 5.22 1.16 -1.24 -2.88 117.46 127.01 1cx1 n PHE 32 Ca -0.06 -1.66 0.00 0.00 -1.87 0.00 0.00 57.45 53.87 1cx1 n PHE 32 Cb 0.49 -1.89 0.00 0.00 -1.61 0.00 0.00 39.48 36.47 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 9.31 0.00 -1.31 1.98 0.00 0.63 -4.33 120.51 126.80 1cx1 n ALA 33 Ca 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1cx1 n ALA 33 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cx1 n ASP 34 N 0.00 -0.34 -2.58 0.00 9.92 -1.26 -2.53 116.55 119.76 1cx1 n ASP 34 Ca 0.00 -1.84 -0.10 0.00 -0.53 0.00 0.00 54.79 52.32 1cx1 n ASP 34 Cb 0.00 -1.14 -0.00 0.00 -0.64 0.00 0.00 41.12 39.33 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cx1 n GLY 35 N 5.38 -0.50 3.06 0.44 0.00 -1.26 -4.89 105.19 107.41 1cx1 n GLY 35 Ca 0.24 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.15 0.27 -0.19 1.61 1.70 -1.05 -4.42 118.95 111.73 1cx1 s ARG 36 Ca 0.05 0.04 -0.04 0.00 -0.47 0.00 0.00 55.73 55.31 1cx1 s ARG 36 Cb -0.03 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 1cx1 s ARG 36 CO 0.06 -0.05 -0.03 1.41 -1.08 0.00 0.00 175.30 175.62 1cx1 s MET 37 N -0.33 3.56 0.16 3.89 -2.45 0.66 0.23 119.30 125.02 1cx1 s MET 37 Ca -0.04 -0.56 0.09 0.00 -1.25 0.00 0.00 55.69 53.93 1cx1 s MET 37 Cb -0.03 -2.99 -0.04 0.00 1.25 0.00 0.00 34.83 33.02 1cx1 s MET 37 CO 0.01 0.03 -0.19 0.00 1.05 0.00 0.00 175.02 175.92 1cx1 s VAL 39 N -1.96 1.23 -0.23 0.00 -7.23 -0.81 -2.51 120.40 108.90 1cx1 s VAL 39 Ca 0.16 -0.66 -0.19 0.00 -1.81 0.00 0.00 61.98 59.48 1cx1 s VAL 39 Cb -0.06 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 1cx1 s VAL 39 CO 0.07 0.35 0.55 -1.81 -0.31 0.00 0.00 175.10 173.95 1cx1 s ASP 40 N -0.31 6.55 -0.56 4.85 1.11 -1.26 -3.12 116.67 123.94 1cx1 s ASP 40 Ca 0.05 0.66 -0.02 0.00 0.18 0.00 0.00 52.55 53.42 1cx1 s ASP 40 Cb -0.07 -2.31 0.15 0.00 1.07 0.00 0.00 42.92 41.76 1cx1 s ASP 40 CO -0.00 -0.26 0.36 -0.76 1.18 0.00 0.00 175.17 175.69 1cx1 s LEU 41 N 2.01 5.17 0.13 1.23 1.02 -1.13 -3.41 118.68 123.71 1cx1 s LEU 41 Ca 0.24 -2.65 -0.29 0.00 0.02 0.00 0.00 54.13 51.45 1cx1 s LEU 41 Cb -0.16 -1.83 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 1cx1 s LEU 41 CO 0.09 -0.40 1.58 -0.65 0.02 0.00 0.00 176.35 176.99 1cx1 h PRO 42 N 7.25 -0.46 0.00 1.29 0.11 -1.95 -2.84 132.00 135.40 1cx1 h PRO 42 Ca -0.05 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1cx1 h PRO 42 Cb 0.97 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1cx1 h PRO 42 CO 0.71 -0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 1cx1 n GLY 43 N -1.43 3.31 0.00 -0.55 0.00 -1.26 -4.58 105.19 100.67 1cx1 n GLY 43 Ca -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.39 1.24 3.44 -0.02 0.00 -1.20 -5.03 105.19 103.23 1cx1 n GLY 44 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.59 -0.55 1.61 -0.21 -1.26 -5.06 119.66 115.78 1cx1 s GLN 45 Ca 0.00 -1.29 0.05 0.00 0.02 0.00 0.00 55.36 54.14 1cx1 s GLN 45 Cb 0.00 -1.99 0.36 0.00 1.00 0.00 0.00 33.01 32.38 1cx1 s GLN 45 CO 0.00 0.46 1.04 0.41 -2.12 0.00 0.00 175.29 175.08 1cx1 n GLY 46 N 0.78 5.75 3.10 3.09 0.00 -1.26 -4.45 105.19 112.20 1cx1 n GLY 46 Ca -0.16 -2.77 0.05 0.00 0.00 0.00 0.00 46.02 43.13 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 -3.40 -0.45 0.64 1.61 6.03 -1.26 -5.01 114.94 113.11 1cx1 s ASN 47 Ca 0.48 0.01 0.18 0.00 -1.03 0.00 0.00 52.86 52.51 1cx1 s ASN 47 Cb 0.32 1.17 0.90 0.00 -3.03 0.00 0.00 41.25 40.61 1cx1 s ASN 47 CO -0.16 -0.08 1.48 -0.65 -2.03 0.00 0.00 177.10 175.67 1cx1 h PRO 48 N 7.02 0.00 -2.48 3.55 0.11 -1.95 -2.49 132.00 135.75 1cx1 h PRO 48 Ca -0.08 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.29 1cx1 h PRO 48 Cb 1.18 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 1cx1 h PRO 48 CO -0.08 0.00 0.38 -2.67 -0.21 0.00 0.00 178.00 175.41 1cx1 n TRP 49 N -2.92 2.94 -0.75 0.65 2.14 -1.26 -3.01 117.44 115.23 1cx1 n TRP 49 Ca 0.04 -3.09 0.00 0.00 2.07 0.00 0.00 57.50 56.52 1cx1 n TRP 49 Cb 0.83 -0.99 0.00 0.00 -0.81 0.00 0.00 31.31 30.34 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 0.58 0.42 -3.62 -0.67 9.92 -0.94 -5.09 116.55 117.14 1cx1 n ASP 50 Ca 0.34 -1.16 -0.03 0.00 -0.53 0.00 0.00 54.79 53.40 1cx1 n ASP 50 Cb 0.33 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.78 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 51 N -0.16 -2.11 0.00 2.24 0.00 -1.26 -4.20 121.76 116.27 1cx1 s ALA 51 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1cx1 s ALA 51 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1cx1 s ALA 51 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1cx1 n GLY 52 N 0.27 0.52 3.92 0.00 0.00 -0.84 -3.50 105.19 105.56 1cx1 n GLY 52 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 4.28 0.12 0.99 2.01 -1.05 -2.84 118.68 122.18 1cx1 s LEU 53 Ca 0.00 0.41 -0.06 0.00 0.01 0.00 0.00 54.13 54.49 1cx1 s LEU 53 Cb 0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 46.19 43.03 1cx1 s LEU 53 CO 0.00 0.04 0.16 -0.69 1.01 0.00 0.00 176.35 176.87 1cx1 s VAL 54 N -1.72 0.12 0.00 -1.59 1.01 0.31 -0.69 120.40 117.84 1cx1 s VAL 54 Ca 0.38 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1cx1 s VAL 54 Cb -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1cx1 s VAL 54 CO 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1cx1 n TYR 55 N -0.09 0.00 -3.15 5.22 9.36 -0.93 0.43 117.16 128.00 1cx1 n TYR 55 Ca -0.10 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.92 1cx1 n TYR 55 Cb 0.63 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.38 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 5.14 0.00 2.98 0.02 -1.26 -2.70 114.94 119.12 1cx1 s ASN 56 Ca 0.00 -0.82 0.00 0.00 -1.02 0.00 0.00 52.86 51.02 1cx1 s ASN 56 Cb 0.00 0.12 0.00 0.00 0.02 0.00 0.00 41.25 41.39 1cx1 s ASN 56 CO 0.00 -1.19 0.00 0.61 0.02 0.00 0.00 177.10 176.54 1cx1 n GLY 57 N -2.10 0.45 2.66 0.66 0.00 -0.06 -4.95 105.19 101.85 1cx1 n GLY 57 Ca 0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.14 -0.11 -1.60 1.61 0.24 -1.25 -4.98 118.33 112.09 1cx1 n VAL 58 Ca 0.00 -1.89 -0.50 0.00 -2.04 0.00 0.00 64.34 59.91 1cx1 n VAL 58 Cb 0.03 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.65 1.32 -4.04 7.34 -0.02 -1.26 -4.74 135.00 135.25 1cx1 n PRO 59 Ca 0.11 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 1cx1 n PRO 59 Cb 0.61 -2.09 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.29 1.89 -0.34 -1.45 1.01 -1.12 -5.01 120.40 115.67 1cx1 s VAL 60 Ca 0.79 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1cx1 s VAL 60 Cb -0.87 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 33.67 1cx1 s VAL 60 CO 0.48 0.18 0.05 -0.83 0.00 0.00 0.00 175.10 174.98 1cx1 s GLY 61 N 1.28 1.87 0.25 4.51 0.00 -1.26 0.21 107.32 114.18 1cx1 s GLY 61 Ca -0.02 -2.26 -0.29 0.00 0.00 0.00 0.00 44.72 42.14 1cx1 s GLY 61 CO -0.08 0.86 0.92 -2.21 0.00 0.00 0.00 173.10 172.59 1cx1 n GLU 62 N 4.44 1.00 0.00 2.90 0.00 -1.24 -2.08 120.64 125.67 1cx1 n GLU 62 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1cx1 n GLU 62 Cb 0.42 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.20 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 1.52 2.69 4.01 8.31 0.00 0.29 -4.86 105.19 117.14 1cx1 n GLY 63 Ca 0.12 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 2.90 -0.05 1.61 2.02 -0.88 -4.73 118.70 119.57 1cx1 s GLU 64 Ca 0.00 -1.19 0.04 0.00 0.02 0.00 0.00 54.97 53.85 1cx1 s GLU 64 Cb 0.00 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1cx1 s GLU 64 CO 0.00 -0.19 -0.16 -1.12 0.02 0.00 0.00 175.26 173.81 1cx1 s SER 65 N -4.31 3.88 0.49 -0.19 0.01 -1.26 0.34 113.70 112.67 1cx1 s SER 65 Ca 0.53 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.61 1cx1 s SER 65 Cb -0.10 -0.78 0.06 0.00 0.21 0.00 0.00 66.02 65.42 1cx1 s SER 65 CO 0.33 0.34 0.53 -1.22 0.41 0.00 0.00 173.24 173.63 1cx1 n TYR 66 N 2.33 -1.60 -3.66 2.43 4.02 -0.95 -4.48 117.16 115.25 1cx1 n TYR 66 Ca -0.17 -1.90 -0.07 0.00 -0.01 0.00 0.00 57.90 55.74 1cx1 n TYR 66 Cb 0.52 -0.43 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 -2.21 -0.61 -0.26 -0.72 1.01 -0.79 -2.87 120.40 113.95 1cx1 s VAL 67 Ca 0.40 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1cx1 s VAL 67 Cb -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1cx1 s VAL 67 CO 0.26 0.05 0.01 -0.22 0.00 0.00 0.00 175.10 175.19 1cx1 s LEU 68 N 2.49 3.43 -0.76 3.92 2.96 -1.13 -1.82 118.68 127.77 1cx1 s LEU 68 Ca -0.04 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.13 1cx1 s LEU 68 Cb -0.11 -1.77 0.19 0.00 0.50 0.00 0.00 46.19 45.00 1cx1 s LEU 68 CO -0.14 -0.13 0.62 -0.94 -1.32 0.00 0.00 176.35 174.44 1cx1 s SER 69 N 1.43 5.75 -0.04 3.68 1.04 -0.23 -1.26 113.70 124.08 1cx1 s SER 69 Ca 0.02 -3.17 -0.13 0.00 0.48 0.00 0.00 55.95 53.15 1cx1 s SER 69 Cb -0.16 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1cx1 s SER 69 CO -0.01 -0.32 0.34 0.72 0.98 0.00 0.00 173.24 174.95 1cx1 s PHE 70 N -0.54 3.68 -0.28 5.02 -0.71 -1.07 -3.09 117.98 120.99 1cx1 s PHE 70 Ca 0.21 0.87 -0.13 0.00 -1.04 0.00 0.00 56.93 56.85 1cx1 s PHE 70 Cb -0.14 -2.22 -0.04 0.00 -1.21 0.00 0.00 43.02 39.41 1cx1 s PHE 70 CO -0.07 0.64 0.26 0.95 -1.34 0.00 0.00 175.22 175.66 1cx1 s THR 71 N -0.96 5.25 -0.29 -4.49 -4.23 -0.76 0.13 115.64 110.30 1cx1 s THR 71 Ca 0.21 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.81 1cx1 s THR 71 Cb -0.15 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.23 1cx1 s THR 71 CO 0.11 0.19 1.10 0.00 -0.54 0.00 0.00 174.62 175.48 1cx1 s ALA 72 N 1.88 -2.22 -0.13 3.99 0.00 -1.15 -3.43 121.76 120.69 1cx1 s ALA 72 Ca 0.10 1.99 0.01 0.00 0.00 0.00 0.00 51.96 54.06 1cx1 s ALA 72 Cb -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.30 1cx1 s ALA 72 CO 0.11 -0.27 -0.15 -1.54 0.00 0.00 0.00 175.76 173.90 1cx1 s SER 73 N 0.75 2.64 -0.03 0.00 1.04 -1.13 -4.65 113.70 112.32 1cx1 s SER 73 Ca -0.03 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1cx1 s SER 73 Cb -0.04 -1.18 -0.05 0.00 0.10 0.00 0.00 66.02 64.85 1cx1 s SER 73 CO -0.12 -0.02 0.48 0.00 0.98 0.00 0.00 173.24 174.56 1cx1 s ALA 74 N 1.24 3.58 -0.13 5.32 0.00 0.39 -3.05 121.76 129.11 1cx1 s ALA 74 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1cx1 s ALA 74 Cb -0.14 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1cx1 s ALA 74 CO -0.07 0.27 -0.04 0.95 0.00 0.00 0.00 175.76 176.87 1cx1 s THR 75 N -0.40 0.87 0.00 0.00 -4.23 -1.07 -1.97 115.64 108.84 1cx1 s THR 75 Ca 0.26 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1cx1 s THR 75 Cb -0.17 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1cx1 s THR 75 CO 0.14 0.19 0.00 -2.65 -0.54 0.00 0.00 174.62 171.76 1cx1 n PRO 76 N 4.97 3.08 -4.05 3.99 -0.02 -1.26 -1.76 135.00 139.95 1cx1 n PRO 76 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 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 -1.67 5.63 -0.23 2.55 1.01 -1.25 -4.48 116.67 118.23 1cx1 s ASP 77 Ca 0.00 -0.03 -0.34 0.00 0.71 0.00 0.00 52.55 52.89 1cx1 s ASP 77 Cb 0.00 -1.53 0.15 0.00 1.01 0.00 0.00 42.92 42.56 1cx1 s ASP 77 CO 0.00 0.13 1.26 -0.04 0.21 0.00 0.00 175.17 176.73 1cx1 s MET 78 N -2.72 0.22 -0.21 8.23 -1.94 -1.14 -5.02 119.30 116.71 1cx1 s MET 78 Ca 0.31 -0.04 -0.29 0.00 -1.71 0.00 0.00 55.69 53.95 1cx1 s MET 78 Cb -0.11 0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.82 1cx1 s MET 78 CO 0.23 -0.09 1.20 -1.25 -0.01 0.00 0.00 175.02 175.11 1cx1 s PRO 79 N -1.92 4.17 0.54 2.03 0.04 -1.26 -2.98 135.00 135.63 1cx1 s PRO 79 Ca 0.09 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.69 1cx1 s PRO 79 Cb -0.01 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.85 1cx1 s PRO 79 CO -0.04 -0.77 0.75 0.14 0.04 0.00 0.00 177.00 177.11 1cx1 s VAL 80 N 3.59 2.38 0.07 -0.36 -7.23 0.22 -4.83 120.40 114.24 1cx1 s VAL 80 Ca 0.52 -0.96 0.09 0.00 -1.81 0.00 0.00 61.98 59.81 1cx1 s VAL 80 Cb -0.19 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1cx1 s VAL 80 CO 0.14 0.00 -0.23 -0.60 -0.31 0.00 0.00 175.10 174.10 1cx1 s ARG 81 N -4.62 1.46 0.05 4.82 3.52 1.45 -2.58 118.95 123.05 1cx1 s ARG 81 Ca 0.60 -1.09 -0.18 0.00 -0.13 0.00 0.00 55.73 54.93 1cx1 s ARG 81 Cb -0.07 -1.68 0.04 0.00 -1.56 0.00 0.00 34.95 31.68 1cx1 s ARG 81 CO 0.38 0.42 0.41 0.54 -0.81 0.00 0.00 175.30 176.24 1cx1 s VAL 82 N -0.91 0.06 0.06 7.11 0.11 -1.26 0.35 120.40 125.92 1cx1 s VAL 82 Ca 0.10 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.60 1cx1 s VAL 82 Cb -0.10 -0.97 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1cx1 s VAL 82 CO 0.03 -0.26 0.17 -1.48 -3.33 0.00 0.00 175.10 170.23 1cx1 s LEU 83 N -2.09 1.49 -0.09 2.54 2.34 -0.87 -3.25 118.68 118.76 1cx1 s LEU 83 Ca -0.04 -0.52 -0.08 0.00 0.06 0.00 0.00 54.13 53.54 1cx1 s LEU 83 Cb -0.01 0.91 0.03 0.00 -0.56 0.00 0.00 46.19 46.56 1cx1 s LEU 83 CO -0.03 -0.62 0.25 -0.69 -1.06 0.00 0.00 176.35 174.20 1cx1 s VAL 84 N -3.11 -0.01 -4.14 1.48 1.01 -1.06 -2.28 120.40 112.29 1cx1 s VAL 84 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1cx1 s VAL 84 Cb 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1cx1 s VAL 84 CO -0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1cx1 n GLY 85 N 3.17 0.80 0.00 4.51 0.00 0.19 -2.36 105.19 111.49 1cx1 n GLY 85 Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cx1 n GLU 86 N 0.00 2.66 0.00 1.61 0.00 -1.26 0.18 120.64 123.82 1cx1 n GLU 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cx1 n GLU 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 87 N 5.00 0.00 0.00 -1.84 0.00 -1.15 -4.43 105.19 102.77 1cx1 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.04 0.00 -0.02 0.00 -1.26 -4.93 105.19 97.95 1cx1 n GLY 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.59 0.92 0.00 -0.02 0.00 -1.26 -4.65 105.19 101.77 1cx1 n GLY 89 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.46 -2.07 4.61 0.00 -1.26 -4.32 120.51 115.93 1cx1 n ALA 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1cx1 n ALA 90 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1cx1 s TYR 91 N -1.97 1.96 0.92 0.00 2.02 -1.26 -4.93 117.35 114.09 1cx1 s TYR 91 Ca 0.00 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.04 1cx1 s TYR 91 Cb 0.00 -4.00 0.14 0.00 -0.40 0.00 0.00 41.96 37.71 1cx1 s TYR 91 CO 0.00 -1.19 1.10 -0.98 -1.57 0.00 0.00 175.55 172.91 1cx1 s ARG 92 N 6.46 1.03 0.54 -0.62 1.04 -1.26 -2.94 118.95 123.20 1cx1 s ARG 92 Ca 0.68 0.58 0.09 0.00 -1.04 0.00 0.00 55.73 56.04 1cx1 s ARG 92 Cb -0.01 -1.80 0.07 0.00 -2.04 0.00 0.00 34.95 31.17 1cx1 s ARG 92 CO 0.13 -2.33 0.74 -0.08 -0.04 0.00 0.00 175.30 173.72 1cx1 s THR 93 N -3.04 2.36 -0.02 4.99 -1.32 -1.26 -4.56 115.64 112.79 1cx1 s THR 93 Ca 0.64 -1.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.18 1cx1 s THR 93 Cb -0.17 -2.36 -0.10 0.00 -1.51 0.00 0.00 72.50 68.36 1cx1 s THR 93 CO 0.56 0.00 0.11 0.00 -2.21 0.00 0.00 174.62 173.08 1cx1 n ALA 94 N -2.15 2.14 -0.52 11.08 0.00 -1.25 -4.55 120.51 125.26 1cx1 n ALA 94 Ca 0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1cx1 n ALA 94 Cb 0.61 -0.13 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.87 1.71 -2.53 0.00 -0.00 -1.00 -4.81 117.46 108.97 1cx1 n PHE 95 Ca -0.04 -1.60 -0.41 0.00 -0.00 0.00 0.00 57.45 55.40 1cx1 n PHE 95 Cb 0.32 -0.80 -0.01 0.00 -0.00 0.00 0.00 39.48 38.99 1cx1 n PHE 95 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1cx1 s GLU 96 N -1.91 3.77 0.00 -4.13 -6.30 -1.26 -2.57 118.70 106.30 1cx1 s GLU 96 Ca 0.33 -1.73 0.00 0.00 -2.50 0.00 0.00 54.97 51.07 1cx1 s GLU 96 Cb 0.27 -5.47 0.00 0.00 0.00 0.00 0.00 34.13 28.92 1cx1 s GLU 96 CO 0.03 -2.40 0.00 0.00 0.02 0.00 0.00 175.26 172.91 1cx1 n GLN 97 N 8.50 3.40 0.00 4.30 10.64 -1.20 -5.05 117.38 137.96 1cx1 n GLN 97 Ca 0.45 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.62 1cx1 n GLN 97 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.85 1cx1 n GLN 97 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1cx1 n GLY 98 N 5.00 0.07 3.58 2.61 0.00 -1.26 -4.27 105.19 110.91 1cx1 n GLY 98 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.98 1.94 -3.95 1.61 7.64 -1.26 -4.02 113.62 114.60 1cx1 n SER 99 Ca 0.00 -2.56 -0.30 0.00 1.01 0.00 0.00 58.87 57.01 1cx1 n SER 99 Cb 0.00 -1.72 -0.15 0.00 -1.01 0.00 0.00 64.21 61.33 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 15.07 2.82 0.01 -0.43 0.00 -1.06 -4.98 121.76 133.18 1cx1 s ALA 100 Ca 0.77 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 1cx1 s ALA 100 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1cx1 s ALA 100 CO 0.17 -1.81 0.96 -1.25 0.00 0.00 0.00 175.76 173.83 1cx1 s PRO 101 N 0.58 4.57 -0.01 0.00 0.04 -1.26 0.71 135.00 139.64 1cx1 s PRO 101 Ca 0.13 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1cx1 s PRO 101 Cb -0.21 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 1cx1 s PRO 101 CO -0.07 -0.00 -0.10 -0.51 0.04 0.00 0.00 177.00 176.36 1cx1 s LEU 102 N 0.84 2.03 0.00 -3.56 1.43 -1.16 -4.95 118.68 113.31 1cx1 s LEU 102 Ca 0.50 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1cx1 s LEU 102 Cb -0.21 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.52 1cx1 s LEU 102 CO 0.28 0.11 0.00 1.07 0.23 0.00 0.00 176.35 178.04 1cx1 n THR 103 N 2.80 0.00 -1.44 5.49 5.66 -1.26 -2.90 114.28 122.62 1cx1 n THR 103 Ca -0.14 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.68 1cx1 n THR 103 Cb 0.57 -1.30 0.15 0.00 -1.55 0.00 0.00 70.33 68.19 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 5.00 5.16 3.35 1.09 0.00 -0.83 0.15 105.19 119.11 1cx1 n GLY 104 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.42 2.03 0.21 1.61 8.01 -1.26 -4.83 118.70 121.05 1cx1 s GLU 105 Ca 0.53 -0.98 -0.30 0.00 0.01 0.00 0.00 54.97 54.23 1cx1 s GLU 105 Cb 0.45 -2.06 -0.08 0.00 -4.31 0.00 0.00 34.13 28.12 1cx1 s GLU 105 CO 0.03 0.55 1.16 -1.25 0.01 0.00 0.00 175.26 175.75 1cx1 s PRO 106 N -0.93 4.54 0.00 0.39 0.04 -1.26 -4.20 135.00 133.59 1cx1 s PRO 106 Ca 0.11 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1cx1 s PRO 106 Cb -0.10 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1cx1 s PRO 106 CO 0.01 0.01 0.00 0.00 0.04 0.00 0.00 177.00 177.06 1cx1 n ALA 107 N 2.11 0.00 -2.64 8.56 0.00 -1.26 -5.00 120.51 122.28 1cx1 n ALA 107 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1cx1 n ALA 107 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 4.90 0.11 0.00 -4.23 -1.26 -2.92 115.64 110.25 1cx1 s THR 108 Ca 0.00 1.73 -0.10 0.00 -1.18 0.00 0.00 61.69 62.14 1cx1 s THR 108 Cb 0.00 -4.17 -0.06 0.00 1.34 0.00 0.00 72.50 69.61 1cx1 s THR 108 CO 0.00 0.24 0.43 -0.13 -0.54 0.00 0.00 174.62 174.62 1cx1 s ARG 109 N 0.68 3.77 -0.40 3.99 1.81 0.12 -4.82 118.95 124.09 1cx1 s ARG 109 Ca 0.43 0.18 -0.09 0.00 -1.72 0.00 0.00 55.73 54.54 1cx1 s ARG 109 Cb -0.20 -2.92 0.07 0.00 -0.45 0.00 0.00 34.95 31.45 1cx1 s ARG 109 CO 0.23 0.51 0.23 -1.21 -0.68 0.00 0.00 175.30 174.38 1cx1 s GLU 110 N -2.14 2.61 -0.91 3.54 0.41 -1.26 -2.61 118.70 118.35 1cx1 s GLU 110 Ca 0.36 -1.40 -0.01 0.00 -0.41 0.00 0.00 54.97 53.51 1cx1 s GLU 110 Cb -0.13 -3.73 0.25 0.00 -1.78 0.00 0.00 34.13 28.73 1cx1 s GLU 110 CO 0.20 -0.90 0.94 0.66 -0.49 0.00 0.00 175.26 175.67 1cx1 n TYR 111 N 4.90 3.80 -3.50 1.61 4.02 -0.39 -4.92 117.16 122.68 1cx1 n TYR 111 Ca -0.10 -3.81 -0.19 0.00 -0.01 0.00 0.00 57.90 53.79 1cx1 n TYR 111 Cb 0.43 -1.09 -0.01 0.00 -0.02 0.00 0.00 39.34 38.65 1cx1 n TYR 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cx1 s ALA 112 N -1.87 4.22 0.12 -0.72 0.00 -1.26 -2.82 121.76 119.43 1cx1 s ALA 112 Ca 0.31 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1cx1 s ALA 112 Cb -0.01 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.46 1cx1 s ALA 112 CO -0.06 -0.02 0.40 1.97 0.00 0.00 0.00 175.76 178.05 1cx1 n PHE 113 N -1.63 -1.19 -3.76 0.00 -1.74 -1.14 -4.97 117.46 103.03 1cx1 n PHE 113 Ca -0.01 -0.65 -0.37 0.00 -0.56 0.00 0.00 57.45 55.86 1cx1 n PHE 113 Cb 0.58 0.32 -0.13 0.00 1.52 0.00 0.00 39.48 41.77 1cx1 n PHE 113 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1cx1 s THR 114 N -2.46 3.82 -0.11 1.97 -4.23 -1.26 -2.23 115.64 111.13 1cx1 s THR 114 Ca 0.09 -0.94 -0.39 0.00 -1.18 0.00 0.00 61.69 59.26 1cx1 s THR 114 Cb -0.02 -3.07 -0.17 0.00 1.34 0.00 0.00 72.50 70.58 1cx1 s THR 114 CO 0.03 -0.05 1.52 -0.24 -0.54 0.00 0.00 174.62 175.34 1cx1 n SER 115 N 4.83 1.87 0.00 3.99 2.88 1.06 -4.79 113.62 123.45 1cx1 n SER 115 Ca -0.13 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1cx1 n SER 115 Cb 0.46 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1cx1 n SER 115 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1cx1 n ASN 116 N 3.82 0.87 -3.67 -3.46 2.85 -1.26 0.10 115.26 114.51 1cx1 n ASN 116 Ca 0.23 -1.08 -0.14 0.00 -0.11 0.00 0.00 54.58 53.47 1cx1 n ASN 116 Cb 0.15 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.03 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1cx1 s LEU 117 N -0.08 -0.22 0.33 1.20 2.01 -1.26 -4.85 118.68 115.80 1cx1 s LEU 117 Ca 0.00 0.53 -0.29 0.00 0.01 0.00 0.00 54.13 54.38 1cx1 s LEU 117 Cb 0.00 0.60 -0.10 0.00 0.01 0.00 0.00 46.19 46.69 1cx1 s LEU 117 CO 0.00 -0.24 1.28 0.42 1.01 0.00 0.00 176.35 178.82 1cx1 s THR 118 N 2.34 2.82 -0.40 5.49 -4.23 -1.26 -3.62 115.64 116.78 1cx1 s THR 118 Ca 0.01 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1cx1 s THR 118 Cb -0.12 -3.52 0.22 0.00 1.34 0.00 0.00 72.50 70.42 1cx1 s THR 118 CO -0.08 0.19 1.01 0.49 -0.54 0.00 0.00 174.62 175.69 1cx1 n PHE 119 N 0.81 -1.84 -0.52 3.99 3.72 0.13 -4.88 117.46 118.87 1cx1 n PHE 119 Ca 0.00 -0.99 -0.29 0.00 -0.05 0.00 0.00 57.45 56.11 1cx1 n PHE 119 Cb 0.42 1.26 0.24 0.00 -0.94 0.00 0.00 39.48 40.46 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 2.34 -2.29 0.13 -1.08 -0.02 -1.25 -2.80 135.00 130.03 1cx1 n PRO 120 Ca 0.11 -0.64 0.13 0.00 -2.02 0.00 0.00 63.50 61.07 1cx1 n PRO 120 Cb 0.63 -2.06 0.33 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.56 0.00 0.00 0.52 0.13 -1.86 -3.35 132.00 124.88 1cx1 h PRO 121 Ca -0.60 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.31 1cx1 h PRO 121 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1cx1 h PRO 121 CO 0.47 0.00 -1.77 -0.40 -0.23 0.00 0.00 178.00 176.07 1cx1 n ASP 122 N -2.47 1.70 -0.33 1.44 5.75 -1.24 -0.19 116.55 121.21 1cx1 n ASP 122 Ca 0.05 0.08 0.18 0.00 -0.01 0.00 0.00 54.79 55.10 1cx1 n ASP 122 Cb 0.46 -0.34 0.35 0.00 -1.03 0.00 0.00 41.12 40.56 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 2.39 -1.18 0.54 6.12 0.00 -1.26 -4.04 105.19 107.76 1cx1 n GLY 123 Ca -0.26 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -5.39 0.00 -4.12 1.61 8.00 -1.26 -5.05 116.55 110.35 1cx1 n ASP 124 Ca 0.26 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.68 1cx1 n ASP 124 Cb 0.87 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.25 0.67 -0.93 2.24 0.00 -1.24 -5.00 121.76 115.26 1cx1 s ALA 125 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1cx1 s ALA 125 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1cx1 s ALA 125 CO 0.00 -0.41 0.59 -0.35 0.00 0.00 0.00 175.76 175.58 1cx1 n PRO 126 N 0.02 0.00 0.00 0.00 -0.04 0.74 -3.64 135.00 132.08 1cx1 n PRO 126 Ca -0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1cx1 n PRO 126 Cb 0.62 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.09 3.21 2.84 0.55 0.00 -1.26 -0.88 105.19 108.57 1cx1 n GLY 127 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.88 0.32 -0.07 1.61 0.74 0.46 -4.41 119.66 115.44 1cx1 s GLN 128 Ca 0.00 0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.62 1cx1 s GLN 128 Cb 0.00 -0.64 0.03 0.00 1.10 0.00 0.00 33.01 33.50 1cx1 s GLN 128 CO 0.00 -0.81 0.05 0.54 -0.55 0.00 0.00 175.29 174.52 1cx1 s VAL 129 N 2.45 -0.01 -0.03 1.34 0.11 -1.10 0.54 120.40 123.71 1cx1 s VAL 129 Ca 0.10 0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 1cx1 s VAL 129 Cb -0.15 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1cx1 s VAL 129 CO -0.22 0.12 0.08 0.00 -3.33 0.00 0.00 175.10 171.76 1cx1 s ALA 130 N 2.12 -0.19 -0.44 1.54 0.00 -0.97 -2.18 121.76 121.65 1cx1 s ALA 130 Ca 0.04 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1cx1 s ALA 130 Cb -0.13 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.87 1cx1 s ALA 130 CO -0.04 -0.04 0.53 -0.06 0.00 0.00 0.00 175.76 176.15 1cx1 s PHE 131 N 0.12 3.12 -0.28 0.00 0.08 0.13 -2.04 117.98 119.10 1cx1 s PHE 131 Ca -0.01 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.63 1cx1 s PHE 131 Cb -0.01 -3.14 -0.05 0.00 -0.57 0.00 0.00 43.02 39.24 1cx1 s PHE 131 CO -0.00 -0.81 0.20 -1.01 -0.10 0.00 0.00 175.22 173.50 1cx1 s HIS 132 N 2.43 3.22 -0.88 0.36 3.76 1.10 -2.52 115.29 122.76 1cx1 s HIS 132 Ca 0.16 0.12 0.09 0.00 -0.15 0.00 0.00 55.06 55.28 1cx1 s HIS 132 Cb -0.16 -2.40 0.02 0.00 1.11 0.00 0.00 32.58 31.15 1cx1 s HIS 132 CO 0.15 -0.17 0.63 1.28 -0.85 0.00 0.00 174.74 175.78 1cx1 n LEU 133 N 5.08 1.28 0.00 0.89 4.32 -1.23 0.43 117.00 127.76 1cx1 n LEU 133 Ca -0.14 -0.82 0.06 0.00 -0.02 0.00 0.00 56.01 55.09 1cx1 n LEU 133 Cb 0.52 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1cx1 n LEU 133 CO 0.33 0.26 -0.08 0.61 -1.22 0.00 0.00 177.39 177.29 1cx1 n GLY 134 N 0.76 -0.58 0.47 -0.72 0.00 -1.16 -4.55 105.19 99.40 1cx1 n GLY 134 Ca 0.04 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cx1 n LYS 135 N -1.65 1.03 0.27 1.61 5.02 -1.26 -4.67 118.16 118.50 1cx1 n LYS 135 Ca 0.00 -2.50 0.15 0.00 -2.02 0.00 0.00 58.31 53.95 1cx1 n LYS 135 Cb 0.20 -1.21 0.67 0.00 -0.02 0.00 0.00 35.03 34.67 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cx1 h ALA 136 N 0.43 1.04 -1.69 7.82 0.00 -1.80 -3.04 119.26 122.02 1cx1 h ALA 136 Ca -0.03 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.31 1cx1 h ALA 136 Cb 1.17 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 1cx1 h ALA 136 CO 0.01 0.10 -0.95 0.41 0.00 0.00 0.00 179.25 178.82 1cx1 n GLY 137 N -0.10 4.16 1.51 0.00 0.00 -1.26 -4.93 105.19 104.58 1cx1 n GLY 137 Ca -0.00 -2.13 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.13 -2.97 0.00 4.61 0.00 -1.15 -4.93 120.51 115.93 1cx1 n ALA 138 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1cx1 n ALA 138 Cb 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.93 0.00 -4.00 0.00 0.18 -1.07 -4.69 117.16 106.66 1cx1 n TYR 139 Ca 0.02 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.45 1cx1 n TYR 139 Cb 0.24 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.06 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 -0.55 3.26 -0.43 -3.48 2.02 -0.72 -2.82 118.70 115.97 1cx1 s GLU 140 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.17 1cx1 s GLU 140 Cb 0.00 -2.87 0.06 0.00 0.10 0.00 0.00 34.13 31.42 1cx1 s GLU 140 CO 0.00 -0.19 0.32 0.12 0.02 0.00 0.00 175.26 175.53 1cx1 s PHE 141 N 1.39 3.26 -0.46 1.61 5.36 -1.18 -2.60 117.98 125.36 1cx1 s PHE 141 Ca 0.05 -1.00 -0.10 0.00 -0.96 0.00 0.00 56.93 54.93 1cx1 s PHE 141 Cb -0.14 -2.89 0.11 0.00 -0.34 0.00 0.00 43.02 39.76 1cx1 s PHE 141 CO -0.06 -0.74 0.33 0.00 -1.46 0.00 0.00 175.22 173.29 1cx1 s ILE 143 N 1.39 3.19 0.00 0.00 2.07 0.38 -2.83 121.20 125.41 1cx1 s ILE 143 Ca 0.05 -0.72 0.00 0.00 -1.41 0.00 0.00 60.65 58.57 1cx1 s ILE 143 Cb -0.26 -2.28 0.00 0.00 0.13 0.00 0.00 42.46 40.06 1cx1 s ILE 143 CO 0.00 0.56 0.04 -1.54 -1.91 0.00 0.00 174.94 172.09 1cx1 n SER 144 N 2.18 0.08 -3.90 4.50 3.41 -1.22 -0.24 113.62 118.42 1cx1 n SER 144 Ca -0.17 -0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 57.98 1cx1 n SER 144 Cb 0.52 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.25 0.91 -0.30 4.33 -1.52 -1.26 -3.06 119.66 118.52 1cx1 s GLN 145 Ca 0.00 -1.04 -0.15 0.00 -1.95 0.00 0.00 55.36 52.22 1cx1 s GLN 145 Cb 0.00 0.34 0.17 0.00 -0.22 0.00 0.00 33.01 33.31 1cx1 s GLN 145 CO 0.00 -0.30 1.14 0.54 -0.25 0.00 0.00 175.29 176.42 1cx1 s VAL 146 N -3.90 -0.19 0.16 1.09 0.11 -0.83 -1.83 120.40 115.01 1cx1 s VAL 146 Ca 0.09 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 1cx1 s VAL 146 Cb 0.05 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1cx1 s VAL 146 CO -0.08 0.00 0.43 -0.94 -3.33 0.00 0.00 175.10 171.18 1cx1 s SER 147 N 2.97 -0.20 0.24 3.54 1.04 -1.18 -4.29 113.70 115.83 1cx1 s SER 147 Ca -0.04 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1cx1 s SER 147 Cb -0.09 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1cx1 s SER 147 CO -0.09 -0.94 0.26 -1.48 0.98 0.00 0.00 173.24 171.96 1cx1 s LEU 148 N -2.86 1.02 0.00 2.42 0.05 -1.26 -1.07 118.68 116.99 1cx1 s LEU 148 Ca 0.08 -1.34 0.00 0.00 0.05 0.00 0.00 54.13 52.91 1cx1 s LEU 148 Cb 0.01 0.82 0.00 0.00 -2.05 0.00 0.00 46.19 44.97 1cx1 s LEU 148 CO -0.06 -0.98 0.00 1.07 -0.55 0.00 0.00 176.35 175.83 1cx1 n THR 149 N -0.37 0.00 0.00 5.48 5.66 -0.75 -4.12 114.28 120.18 1cx1 n THR 149 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1cx1 n THR 149 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.00 0.00 0.00 1.09 5.66 -1.26 -1.88 114.28 117.89 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 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -1.43 1.09 2.88 -1.26 -4.85 113.62 110.05 1cx1 n SER 151 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1cx1 n SER 151 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.00 -3.74 -0.08 -1.46 0.00 -1.26 -4.74 120.51 109.23 1cx1 n ALA 152 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1cx1 n ALA 152 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91