#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 -3.26 113.62 112.51 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 -4.18 1.04 7.94 -1.26 -4.79 117.00 115.75 1cx1 n LEU 3 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 1cx1 n LEU 3 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 1cx1 n LEU 3 CO 0.00 -0.09 -0.81 0.47 -1.11 0.00 0.00 177.39 175.85 1cx1 n ASP 4 N -1.26 -4.28 -1.55 1.96 8.00 -1.26 -4.50 116.55 113.65 1cx1 n ASP 4 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1cx1 n ASP 4 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.11 -5.40 -4.74 -2.24 3.41 -1.26 -4.90 113.62 100.59 1cx1 n SER 5 Ca 0.03 0.81 -0.41 0.00 -0.26 0.00 0.00 58.87 59.05 1cx1 n SER 5 Cb 0.53 -2.90 -0.03 0.00 -0.26 0.00 0.00 64.21 61.54 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 6 N -1.46 4.46 -0.97 4.33 8.01 -1.26 -4.86 118.70 126.95 1cx1 s GLU 6 Ca 0.00 1.97 -0.24 0.00 0.01 0.00 0.00 54.97 56.70 1cx1 s GLU 6 Cb 0.00 -3.20 -0.17 0.00 -4.31 0.00 0.00 34.13 26.45 1cx1 s GLU 6 CO 0.00 -0.12 1.94 0.28 0.01 0.00 0.00 175.26 177.37 1cx1 n VAL 7 N 2.22 1.24 -1.94 2.63 0.31 -1.26 -4.82 118.33 116.71 1cx1 n VAL 7 Ca 0.04 -1.23 -0.26 0.00 -0.01 0.00 0.00 64.34 62.88 1cx1 n VAL 7 Cb 0.44 -2.14 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 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 7.99 1.28 0.14 5.55 4.07 -1.26 -3.96 120.64 134.45 1cx1 n GLU 8 Ca 0.45 -2.30 0.10 0.00 -0.06 0.00 0.00 57.16 55.36 1cx1 n GLU 8 Cb 0.45 -3.76 0.51 0.00 -0.06 0.00 0.00 31.44 28.58 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 15.44 0.54 -3.77 4.31 4.77 -1.15 -3.67 117.00 133.47 1cx1 n LEU 9 Ca 0.44 0.70 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 1cx1 n LEU 9 Cb 0.46 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.72 1cx1 n LEU 9 CO 0.67 -0.76 -0.18 -0.22 -1.33 0.00 0.00 177.39 175.56 1cx1 s LEU 10 N -4.35 3.45 0.00 2.23 1.98 -1.26 -4.98 118.68 115.75 1cx1 s LEU 10 Ca 0.00 -3.11 0.00 0.00 -2.89 0.00 0.00 54.13 48.13 1cx1 s LEU 10 Cb 0.07 -1.25 0.00 0.00 0.66 0.00 0.00 46.19 45.67 1cx1 s LEU 10 CO 0.25 -0.19 0.00 -2.65 -1.89 0.00 0.00 176.35 171.87 1cx1 n PRO 11 N 2.92 0.00 -3.44 0.98 -0.02 -1.24 -4.36 135.00 129.84 1cx1 n PRO 11 Ca 0.14 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.42 1cx1 n PRO 11 Cb 0.36 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.59 -0.29 -0.34 6.00 2.46 -1.26 -5.02 115.29 118.44 1cx1 s HIS 12 Ca 0.00 -0.27 0.15 0.00 0.47 0.00 0.00 55.06 55.41 1cx1 s HIS 12 Cb 0.00 -0.54 0.42 0.00 -0.13 0.00 0.00 32.58 32.33 1cx1 s HIS 12 CO 0.00 -0.87 0.93 -2.37 -2.47 0.00 0.00 174.74 169.96 1cx1 n THR 13 N 5.30 0.57 -3.19 0.89 5.66 -1.26 -4.78 114.28 117.47 1cx1 n THR 13 Ca -0.03 -3.26 -0.23 0.00 -3.05 0.00 0.00 64.05 57.47 1cx1 n THR 13 Cb 0.46 0.49 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.00 0.41 -1.06 1.09 7.64 -1.26 -3.98 113.62 116.46 1cx1 n SER 14 Ca 0.12 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1cx1 n SER 14 Cb 0.78 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 1.18 0.00 -0.00 1.43 3.01 0.29 -3.24 117.46 120.12 1cx1 n PHE 15 Ca 0.22 -0.19 -0.16 0.00 1.01 0.00 0.00 57.45 58.33 1cx1 n PHE 15 Cb 0.55 -0.17 -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 n ALA 16 N 0.90 1.12 -0.78 4.37 0.00 -1.24 -3.50 120.51 121.38 1cx1 n ALA 16 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1cx1 n ALA 16 Cb 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.31 0.00 -3.89 0.00 -0.58 -1.20 -4.41 120.64 107.25 1cx1 n GLU 17 Ca -0.26 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.18 1cx1 n GLU 17 Cb 1.05 -0.06 -0.04 0.00 -0.57 0.00 0.00 31.44 31.83 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1cx1 s SER 18 N -0.99 6.37 0.06 1.62 0.01 -1.26 -4.89 113.70 114.62 1cx1 s SER 18 Ca 0.00 0.29 -0.38 0.00 1.31 0.00 0.00 55.95 57.17 1cx1 s SER 18 Cb 0.00 -1.97 -0.21 0.00 0.21 0.00 0.00 66.02 64.06 1cx1 s SER 18 CO 0.00 0.12 1.57 -0.07 0.41 0.00 0.00 173.24 175.27 1cx1 h LEU 19 N 2.80 -1.19 0.00 2.44 3.38 -1.91 -3.41 115.31 117.42 1cx1 h LEU 19 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1cx1 h LEU 19 Cb 1.17 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1cx1 h LEU 19 CO 0.74 -0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1cx1 n GLY 20 N -1.67 0.00 0.00 0.83 0.00 -1.26 -4.64 105.19 98.46 1cx1 n GLY 20 Ca -0.16 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.73 1cx1 n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cx1 n PRO 21 N 0.00 0.60 -1.08 1.61 -0.04 -1.26 -4.83 135.00 130.01 1cx1 n PRO 21 Ca 0.00 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1cx1 n PRO 21 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.14 -3.83 -4.25 0.54 7.02 -1.26 -4.86 117.44 109.66 1cx1 n TRP 22 Ca 0.16 -0.79 -0.17 0.00 -1.02 0.00 0.00 57.50 55.69 1cx1 n TRP 22 Cb 0.14 -0.78 -0.09 0.00 -2.42 0.00 0.00 31.31 28.16 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 -4.10 1.11 -0.19 -0.99 0.01 -0.67 -4.96 113.70 103.92 1cx1 s SER 23 Ca 0.53 -1.62 -0.36 0.00 1.31 0.00 0.00 55.95 55.81 1cx1 s SER 23 Cb -0.03 0.49 0.15 0.00 0.21 0.00 0.00 66.02 66.84 1cx1 s SER 23 CO 0.39 -0.98 1.40 -1.48 0.41 0.00 0.00 173.24 172.97 1cx1 s LEU 24 N -3.29 -0.01 0.00 2.44 0.05 -1.26 -1.29 118.68 115.31 1cx1 s LEU 24 Ca 0.40 -0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.57 1cx1 s LEU 24 Cb 0.04 1.06 0.00 0.00 -2.05 0.00 0.00 46.19 45.24 1cx1 s LEU 24 CO 0.22 -0.04 0.00 0.00 -0.55 0.00 0.00 176.35 175.98 1cx1 n TYR 25 N -0.25 0.00 0.00 3.48 0.18 -1.09 -5.01 117.16 114.47 1cx1 n TYR 25 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1cx1 n TYR 25 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 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 -0.47 3.02 0.00 -7.48 0.00 -1.26 -2.45 105.19 96.55 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 -1.61 0.00 -2.42 2.61 5.66 -1.26 -4.63 114.28 112.63 1cx1 n THR 27 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1cx1 n THR 27 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.78 -4.60 1.09 3.41 -1.25 -5.00 113.62 108.04 1cx1 n SER 28 Ca 0.00 -1.67 -0.43 0.00 -0.26 0.00 0.00 58.87 56.51 1cx1 n SER 28 Cb 0.00 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1cx1 n SER 28 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 29 N -4.07 3.77 0.77 4.33 2.02 -1.26 -4.78 118.70 119.49 1cx1 s GLU 29 Ca 0.40 0.61 -0.16 0.00 0.02 0.00 0.00 54.97 55.85 1cx1 s GLU 29 Cb -0.02 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.29 1cx1 s GLU 29 CO 0.27 -1.23 0.32 -2.30 0.02 0.00 0.00 175.26 172.33 1cx1 n PRO 30 N 7.48 0.15 -3.53 0.39 -0.02 -1.26 -4.88 135.00 133.32 1cx1 n PRO 30 Ca 0.11 0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 61.44 1cx1 n PRO 30 Cb 0.48 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.01 -0.19 -1.18 -1.45 1.01 -1.09 -4.94 120.40 110.55 1cx1 s VAL 31 Ca 0.61 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1cx1 s VAL 31 Cb -0.32 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1cx1 s VAL 31 CO 0.63 -0.38 1.75 0.72 0.00 0.00 0.00 175.10 177.81 1cx1 s PHE 32 N 2.21 2.45 0.00 5.22 -0.12 -1.25 -2.92 117.98 123.57 1cx1 s PHE 32 Ca 0.06 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.16 1cx1 s PHE 32 Cb -0.16 -4.51 0.00 0.00 -0.63 0.00 0.00 43.02 37.73 1cx1 s PHE 32 CO -0.19 -1.69 0.00 0.00 -0.05 0.00 0.00 175.22 173.29 1cx1 n ALA 33 N 10.40 0.00 -0.15 1.99 0.00 0.19 -4.65 120.51 128.30 1cx1 n ALA 33 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 1cx1 n ALA 33 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cx1 h ASP 34 N 0.00 -0.88 0.00 0.00 5.19 -1.92 -3.36 116.42 115.46 1cx1 h ASP 34 Ca 0.00 0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1cx1 h ASP 34 Cb 0.00 0.38 -0.18 0.00 0.18 0.00 0.00 39.33 39.71 1cx1 h ASP 34 CO 0.00 -0.12 -0.58 0.61 -3.12 0.00 0.00 179.24 176.03 1cx1 n GLY 35 N -1.12 0.76 2.96 2.75 0.00 -1.26 -4.87 105.19 104.41 1cx1 n GLY 35 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.20 -0.16 1.61 1.70 -1.26 -3.97 118.95 117.07 1cx1 s ARG 36 Ca 0.13 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.12 1cx1 s ARG 36 Cb 0.15 0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1cx1 s ARG 36 CO -0.07 -0.03 -0.10 1.41 -1.08 0.00 0.00 175.30 175.43 1cx1 s MET 37 N -0.72 3.42 0.22 3.89 -2.45 -0.37 0.57 119.30 123.87 1cx1 s MET 37 Ca -0.08 -0.65 0.11 0.00 -1.25 0.00 0.00 55.69 53.82 1cx1 s MET 37 Cb -0.05 -2.77 -0.05 0.00 1.25 0.00 0.00 34.83 33.22 1cx1 s MET 37 CO -0.00 0.11 -0.21 0.00 1.05 0.00 0.00 175.02 175.97 1cx1 s VAL 39 N -2.12 1.52 -0.39 0.00 -7.23 -0.69 -2.66 120.40 108.82 1cx1 s VAL 39 Ca 0.23 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 1cx1 s VAL 39 Cb -0.06 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1cx1 s VAL 39 CO 0.11 0.31 1.27 -1.81 -0.31 0.00 0.00 175.10 174.66 1cx1 s ASP 40 N -0.76 6.57 -0.60 4.85 1.11 -1.26 -3.12 116.67 123.46 1cx1 s ASP 40 Ca 0.07 0.84 0.06 0.00 0.18 0.00 0.00 52.55 53.70 1cx1 s ASP 40 Cb -0.08 -2.54 0.26 0.00 1.07 0.00 0.00 42.92 41.63 1cx1 s ASP 40 CO 0.00 -1.23 0.75 0.18 1.18 0.00 0.00 175.17 176.05 1cx1 n LEU 41 N 8.02 3.37 0.00 1.23 7.99 0.25 -3.92 117.00 133.94 1cx1 n LEU 41 Ca 0.14 -5.38 0.00 0.00 -0.01 0.00 0.00 56.01 50.76 1cx1 n LEU 41 Cb 0.48 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1cx1 n LEU 41 CO 0.68 2.10 0.00 -0.81 -1.51 0.00 0.00 177.39 177.85 1cx1 n PRO 42 N 0.76 0.00 -3.63 3.23 -0.04 -1.18 0.17 135.00 134.30 1cx1 n PRO 42 Ca 0.29 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1cx1 n PRO 42 Cb 0.43 -0.16 -0.02 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.35 0.00 0.55 0.00 -1.26 -3.54 107.32 102.71 1cx1 s GLY 43 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1cx1 s GLY 43 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1cx1 n GLY 44 N -0.39 1.35 3.58 0.20 0.00 -1.26 -4.98 105.19 103.68 1cx1 n GLY 44 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 3.86 -0.74 1.61 -0.21 -1.26 -4.96 119.66 117.96 1cx1 s GLN 45 Ca 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 54.99 1cx1 s GLN 45 Cb 0.00 -3.69 0.39 0.00 1.00 0.00 0.00 33.01 30.71 1cx1 s GLN 45 CO 0.00 -0.24 1.92 0.41 -2.12 0.00 0.00 175.29 175.26 1cx1 n GLY 46 N 5.06 5.69 3.15 3.09 0.00 -1.26 -1.58 105.19 119.34 1cx1 n GLY 46 Ca -0.14 -2.47 0.05 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.59 -0.69 0.59 1.61 6.03 -1.26 -5.01 114.94 114.62 1cx1 s ASN 47 Ca 0.55 0.17 0.30 0.00 -1.03 0.00 0.00 52.86 52.85 1cx1 s ASN 47 Cb 0.45 1.47 1.31 0.00 -3.03 0.00 0.00 41.25 41.46 1cx1 s ASN 47 CO -0.27 -0.13 1.67 -0.65 -2.03 0.00 0.00 177.10 175.70 1cx1 h PRO 48 N 7.60 0.00 -1.63 3.55 0.11 -1.88 -0.76 132.00 138.99 1cx1 h PRO 48 Ca -0.10 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.48 1cx1 h PRO 48 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1cx1 h PRO 48 CO -0.04 0.00 0.62 -2.67 -0.21 0.00 0.00 178.00 175.71 1cx1 n TRP 49 N -3.59 2.18 -0.76 0.65 2.14 -1.26 -4.04 117.44 112.75 1cx1 n TRP 49 Ca 0.16 -2.26 0.01 0.00 2.07 0.00 0.00 57.50 57.48 1cx1 n TRP 49 Cb 1.07 -1.24 0.01 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 0.08 0.89 -3.64 -0.67 9.92 -0.29 -5.06 116.55 117.78 1cx1 n ASP 50 Ca 0.47 -1.63 -0.05 0.00 -0.53 0.00 0.00 54.79 53.05 1cx1 n ASP 50 Cb 0.53 -0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 40.88 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 -0.59 -2.12 0.00 2.24 0.00 -1.26 -4.24 121.76 115.80 1cx1 s ALA 51 Ca 0.03 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1cx1 s ALA 51 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1cx1 s ALA 51 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1cx1 n GLY 52 N 1.76 -0.00 1.42 0.00 0.00 -1.03 -3.52 105.19 103.83 1cx1 n GLY 52 Ca -0.11 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cx1 n LEU 53 N 0.00 0.00 -3.81 0.99 4.77 -1.06 -2.67 117.00 115.23 1cx1 n LEU 53 Ca 0.00 -0.98 -0.05 0.00 -0.03 0.00 0.00 56.01 54.95 1cx1 n LEU 53 Cb 0.00 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1cx1 n LEU 53 CO 0.00 -0.49 0.65 -0.69 -1.33 0.00 0.00 177.39 175.53 1cx1 s VAL 54 N -0.61 0.00 0.00 4.08 1.01 -0.41 -2.46 120.40 122.00 1cx1 s VAL 54 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1cx1 s VAL 54 Cb -0.01 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1cx1 s VAL 54 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.21 1cx1 n TYR 55 N -0.51 0.00 -2.64 5.22 9.36 -1.01 -1.67 117.16 125.91 1cx1 n TYR 55 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1cx1 n TYR 55 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1cx1 n TYR 55 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1cx1 n ASN 56 N 0.00 0.33 -1.52 2.98 5.03 -1.26 -0.22 115.26 120.60 1cx1 n ASN 56 Ca 0.00 -0.47 -0.00 0.00 0.87 0.00 0.00 54.58 54.98 1cx1 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.18 2.61 7.41 0.00 -1.26 -4.79 105.19 113.98 1cx1 n GLY 57 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.07 -0.27 -2.13 1.61 0.31 -1.26 -4.85 118.33 110.67 1cx1 n VAL 58 Ca -0.00 -2.06 -0.42 0.00 -0.01 0.00 0.00 64.34 61.85 1cx1 n VAL 58 Cb 0.50 0.35 -0.03 0.00 -0.91 0.00 0.00 33.84 33.76 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cx1 s PRO 59 N 0.32 4.21 -0.17 5.55 0.04 -1.26 -4.41 135.00 139.28 1cx1 s PRO 59 Ca 0.32 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 1cx1 s PRO 59 Cb 0.14 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1cx1 s PRO 59 CO -0.16 -0.78 0.01 0.08 0.04 0.00 0.00 177.00 176.19 1cx1 s VAL 60 N 3.65 4.34 -0.38 -0.36 1.01 -0.18 -4.98 120.40 123.50 1cx1 s VAL 60 Ca 0.68 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1cx1 s VAL 60 Cb -0.31 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.24 1cx1 s VAL 60 CO 0.26 0.48 0.16 -0.83 0.00 0.00 0.00 175.10 175.17 1cx1 s GLY 61 N 0.33 1.94 -0.21 4.51 0.00 -1.26 -1.04 107.32 111.58 1cx1 s GLY 61 Ca -0.00 -2.34 -0.42 0.00 0.00 0.00 0.00 44.72 41.96 1cx1 s GLY 61 CO 0.02 0.95 1.42 -2.21 0.00 0.00 0.00 173.10 173.28 1cx1 n GLU 62 N 4.62 0.40 0.00 2.90 0.00 -1.24 -1.93 120.64 125.39 1cx1 n GLU 62 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1cx1 n GLU 62 Cb 0.42 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.16 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 3.02 3.26 4.01 8.31 0.00 0.33 -4.90 105.19 119.21 1cx1 n GLY 63 Ca 0.25 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 2.81 0.04 1.61 2.02 -0.81 -4.73 118.70 119.65 1cx1 s GLU 64 Ca 0.00 -1.26 0.08 0.00 0.02 0.00 0.00 54.97 53.81 1cx1 s GLU 64 Cb 0.00 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1cx1 s GLU 64 CO 0.00 -0.28 -0.20 -1.12 0.02 0.00 0.00 175.26 173.69 1cx1 s SER 65 N -4.35 3.69 0.55 -0.19 0.01 -1.26 0.18 113.70 112.34 1cx1 s SER 65 Ca 0.55 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.40 1cx1 s SER 65 Cb -0.10 -0.55 0.04 0.00 0.21 0.00 0.00 66.02 65.62 1cx1 s SER 65 CO 0.33 0.25 0.37 -0.31 0.41 0.00 0.00 173.24 174.30 1cx1 s TYR 66 N -0.91 1.54 -0.03 2.43 1.51 -1.03 -4.70 117.35 116.16 1cx1 s TYR 66 Ca 0.14 -0.89 -0.20 0.00 -1.01 0.00 0.00 57.07 55.12 1cx1 s TYR 66 Cb -0.10 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1cx1 s TYR 66 CO 0.05 -0.46 0.42 0.08 -1.11 0.00 0.00 175.55 174.54 1cx1 s VAL 67 N -2.81 0.04 -0.12 0.71 1.01 -0.97 -2.71 120.40 115.55 1cx1 s VAL 67 Ca 0.30 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1cx1 s VAL 67 Cb -0.02 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1cx1 s VAL 67 CO 0.19 -0.18 -0.00 -0.22 0.00 0.00 0.00 175.10 174.89 1cx1 s LEU 68 N -1.24 0.89 -0.79 3.92 2.96 -1.03 -3.02 118.68 120.37 1cx1 s LEU 68 Ca -0.12 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1cx1 s LEU 68 Cb -0.04 -0.57 0.20 0.00 0.50 0.00 0.00 46.19 46.29 1cx1 s LEU 68 CO 0.06 -0.21 0.65 -0.94 -1.32 0.00 0.00 176.35 174.59 1cx1 s SER 69 N 1.89 5.84 -0.03 3.68 1.04 -1.13 -2.80 113.70 122.19 1cx1 s SER 69 Ca 0.03 -3.22 -0.16 0.00 0.48 0.00 0.00 55.95 53.08 1cx1 s SER 69 Cb -0.14 -1.94 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 1cx1 s SER 69 CO -0.07 -0.32 0.44 0.72 0.98 0.00 0.00 173.24 175.00 1cx1 s PHE 70 N -0.61 3.67 -0.37 5.02 -0.71 -1.14 -2.95 117.98 120.89 1cx1 s PHE 70 Ca 0.22 0.98 -0.26 0.00 -1.04 0.00 0.00 56.93 56.84 1cx1 s PHE 70 Cb -0.13 -2.38 0.01 0.00 -1.21 0.00 0.00 43.02 39.31 1cx1 s PHE 70 CO -0.08 0.50 0.92 0.95 -1.34 0.00 0.00 175.22 176.17 1cx1 s THR 71 N -0.59 4.60 -0.10 -4.49 -4.23 -1.12 -2.78 115.64 106.93 1cx1 s THR 71 Ca 0.25 1.18 -0.30 0.00 -1.18 0.00 0.00 61.69 61.64 1cx1 s THR 71 Cb -0.16 -4.32 0.07 0.00 1.34 0.00 0.00 72.50 69.43 1cx1 s THR 71 CO 0.13 -0.53 0.71 0.00 -0.54 0.00 0.00 174.62 174.39 1cx1 s ALA 72 N 3.44 -1.78 -0.04 3.99 0.00 -1.18 -3.28 121.76 122.91 1cx1 s ALA 72 Ca 0.38 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1cx1 s ALA 72 Cb -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1cx1 s ALA 72 CO 0.18 -0.36 -0.06 -1.54 0.00 0.00 0.00 175.76 173.98 1cx1 s SER 73 N -0.88 1.04 -0.17 0.00 1.04 -1.04 -3.63 113.70 110.06 1cx1 s SER 73 Ca -0.08 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.03 1cx1 s SER 73 Cb -0.01 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 1cx1 s SER 73 CO 0.08 -0.02 0.43 0.00 0.98 0.00 0.00 173.24 174.70 1cx1 s ALA 74 N 0.73 3.53 -0.15 5.32 0.00 0.26 -3.01 121.76 128.44 1cx1 s ALA 74 Ca -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1cx1 s ALA 74 Cb -0.13 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1cx1 s ALA 74 CO 0.01 -0.15 0.01 0.95 0.00 0.00 0.00 175.76 176.58 1cx1 s THR 75 N 0.98 0.55 0.00 0.00 -4.23 -1.14 -0.82 115.64 110.98 1cx1 s THR 75 Ca 0.22 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1cx1 s THR 75 Cb -0.15 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1cx1 s THR 75 CO 0.08 0.01 0.00 -2.65 -0.54 0.00 0.00 174.62 171.52 1cx1 n PRO 76 N 5.06 3.09 -3.85 3.99 -0.02 -1.26 -1.79 135.00 140.23 1cx1 n PRO 76 Ca -0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.18 1cx1 n PRO 76 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.95 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 -1.71 6.30 0.00 2.55 1.01 -1.25 -4.30 116.67 119.27 1cx1 s ASP 77 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1cx1 s ASP 77 Cb 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 42.06 1cx1 s ASP 77 CO 0.00 -0.12 0.00 0.23 0.21 0.00 0.00 175.17 175.49 1cx1 n MET 78 N -1.49 0.00 -2.41 8.23 2.81 -0.99 -5.04 117.12 118.23 1cx1 n MET 78 Ca -0.08 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.44 1cx1 n MET 78 Cb 0.57 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.05 1cx1 n MET 78 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1cx1 s PRO 79 N -2.22 4.06 0.45 0.03 0.04 -1.26 -2.89 135.00 133.20 1cx1 s PRO 79 Ca 0.00 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1cx1 s PRO 79 Cb 0.00 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1cx1 s PRO 79 CO 0.00 -0.27 0.09 0.14 0.04 0.00 0.00 177.00 177.00 1cx1 s VAL 80 N -1.54 1.86 -0.07 -0.36 -7.23 -0.98 -4.93 120.40 107.15 1cx1 s VAL 80 Ca 0.58 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 1cx1 s VAL 80 Cb -0.26 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1cx1 s VAL 80 CO 0.33 0.00 -0.24 -0.60 -0.31 0.00 0.00 175.10 174.27 1cx1 s ARG 81 N -3.85 2.66 0.03 4.82 3.52 -0.66 -2.91 118.95 122.56 1cx1 s ARG 81 Ca 0.30 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1cx1 s ARG 81 Cb 0.05 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1cx1 s ARG 81 CO 0.16 0.35 -0.05 0.54 -0.81 0.00 0.00 175.30 175.48 1cx1 s VAL 82 N -0.08 0.33 0.02 7.11 0.11 -1.13 -0.80 120.40 125.97 1cx1 s VAL 82 Ca -0.06 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.89 1cx1 s VAL 82 Cb -0.14 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1cx1 s VAL 82 CO 0.05 -0.45 0.18 -1.48 -3.33 0.00 0.00 175.10 170.07 1cx1 s LEU 83 N -1.54 1.42 0.05 2.54 2.34 -1.12 -3.32 118.68 119.05 1cx1 s LEU 83 Ca -0.13 -0.27 -0.20 0.00 0.06 0.00 0.00 54.13 53.59 1cx1 s LEU 83 Cb -0.10 0.85 0.04 0.00 -0.56 0.00 0.00 46.19 46.43 1cx1 s LEU 83 CO -0.00 -0.47 0.47 -0.69 -1.06 0.00 0.00 176.35 174.60 1cx1 s VAL 84 N -1.96 0.04 -4.52 1.48 1.01 -0.57 -2.66 120.40 113.22 1cx1 s VAL 84 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1cx1 s VAL 84 Cb -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1cx1 s VAL 84 CO -0.01 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1cx1 n GLY 85 N 0.43 0.21 3.98 4.51 0.00 -0.67 -2.54 105.19 111.11 1cx1 n GLY 85 Ca -0.18 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 1.46 -0.41 1.61 1.03 -1.26 0.44 118.70 119.56 1cx1 s GLU 86 Ca 0.00 -1.04 0.09 0.00 0.03 0.00 0.00 54.97 54.05 1cx1 s GLU 86 Cb 0.00 -2.25 0.31 0.00 -0.80 0.00 0.00 34.13 31.40 1cx1 s GLU 86 CO 0.00 -1.64 0.81 0.41 -1.33 0.00 0.00 175.26 173.51 1cx1 n GLY 87 N -3.01 2.36 0.00 -3.83 0.00 -1.25 -4.73 105.19 94.74 1cx1 n GLY 87 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.62 1.55 0.38 -0.02 0.00 -1.26 -4.78 105.19 101.68 1cx1 n GLY 88 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1cx1 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 89 N 0.00 -1.68 4.89 -0.02 0.00 -1.26 -4.39 105.19 102.73 1cx1 n GLY 89 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 1.15 0.00 0.00 4.61 0.00 -1.26 -4.49 120.51 120.52 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -1.01 0.00 4.01 -1.26 -4.84 117.16 114.06 1cx1 n TYR 91 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1cx1 n TYR 91 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.00 0.00 -2.36 -0.72 1.85 -1.26 -4.64 116.66 109.52 1cx1 n ARG 92 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1cx1 n ARG 92 Cb 0.00 -0.95 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 0.80 0.00 -0.00 8.89 5.66 -1.26 -4.73 114.28 123.64 1cx1 n THR 93 Ca 0.13 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1cx1 n THR 93 Cb 0.08 0.10 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 -2.74 2.02 -1.01 1.79 0.00 -1.26 -4.63 120.51 114.68 1cx1 n ALA 94 Ca -0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1cx1 n ALA 94 Cb 0.09 0.05 0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.76 1.68 -2.19 0.00 -0.00 -1.05 -4.72 117.46 109.41 1cx1 n PHE 95 Ca -0.01 -2.05 -0.41 0.00 -0.00 0.00 0.00 57.45 54.98 1cx1 n PHE 95 Cb 0.25 -1.06 0.00 0.00 -0.00 0.00 0.00 39.48 38.68 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 0.32 4.19 -4.16 -4.13 2.13 -1.26 -1.51 120.64 116.23 1cx1 n GLU 96 Ca 0.35 -3.56 -0.27 0.00 0.66 0.00 0.00 57.16 54.35 1cx1 n GLU 96 Cb 0.58 -2.75 -0.07 0.00 0.27 0.00 0.00 31.44 29.47 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 -0.62 2.56 -0.00 5.31 -2.07 -1.21 -5.01 119.66 118.61 1cx1 s GLN 97 Ca 0.47 -1.00 0.01 0.00 -1.82 0.00 0.00 55.36 53.02 1cx1 s GLN 97 Cb 0.14 -2.47 0.01 0.00 -1.09 0.00 0.00 33.01 29.60 1cx1 s GLN 97 CO -0.04 0.48 0.68 0.41 -1.32 0.00 0.00 175.29 175.49 1cx1 n GLY 98 N -0.06 -1.17 3.13 2.60 0.00 -1.26 -2.83 105.19 105.60 1cx1 n GLY 98 Ca -0.09 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.14 5.07 -3.88 1.61 7.64 -1.26 -4.34 113.62 118.32 1cx1 n SER 99 Ca 0.01 -3.17 -0.28 0.00 1.01 0.00 0.00 58.87 56.43 1cx1 n SER 99 Cb 0.48 -1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 62.38 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 n ALA 100 N 2.16 3.47 -1.66 -0.43 0.00 -1.15 -4.97 120.51 117.94 1cx1 n ALA 100 Ca 0.24 -4.55 -0.49 0.00 0.00 0.00 0.00 53.44 48.63 1cx1 n ALA 100 Cb 0.37 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 1.90 1.81 -4.35 0.00 -0.02 -1.26 -2.32 135.00 130.75 1cx1 n PRO 101 Ca 0.21 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 1cx1 n PRO 101 Cb 0.35 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.88 1.89 0.00 2.45 1.43 -1.14 -4.93 118.68 120.26 1cx1 s LEU 102 Ca 0.86 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1cx1 s LEU 102 Cb -0.79 -0.48 0.05 0.00 0.03 0.00 0.00 46.19 45.00 1cx1 s LEU 102 CO 0.47 0.08 0.42 1.07 0.23 0.00 0.00 176.35 178.62 1cx1 n THR 103 N 3.10 0.00 -0.72 5.49 5.66 -1.26 -2.36 114.28 124.19 1cx1 n THR 103 Ca -0.16 -2.08 -0.09 0.00 -3.05 0.00 0.00 64.05 58.68 1cx1 n THR 103 Cb 0.56 -0.08 0.01 0.00 -1.55 0.00 0.00 70.33 69.27 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N -1.40 3.30 2.76 1.09 0.00 -0.00 0.93 105.19 111.86 1cx1 n GLY 104 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.85 0.48 -0.39 1.61 2.12 -1.26 -4.92 118.70 115.49 1cx1 s GLU 105 Ca 0.18 0.15 -0.43 0.00 0.36 0.00 0.00 54.97 55.23 1cx1 s GLU 105 Cb 0.13 -0.87 -0.17 0.00 0.26 0.00 0.00 34.13 33.48 1cx1 s GLU 105 CO -0.01 -0.30 1.76 -2.30 -0.54 0.00 0.00 175.26 173.87 1cx1 n PRO 106 N 5.11 0.60 -3.61 4.30 -0.02 -1.26 -4.71 135.00 135.41 1cx1 n PRO 106 Ca -0.07 0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.48 1cx1 n PRO 106 Cb 0.50 -1.84 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 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 3.83 -1.80 0.02 3.55 0.00 -1.24 -5.01 121.76 121.11 1cx1 s ALA 107 Ca 1.04 1.88 -0.18 0.00 0.00 0.00 0.00 51.96 54.71 1cx1 s ALA 107 Cb -1.26 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.81 1cx1 s ALA 107 CO 0.71 -0.34 0.50 0.95 0.00 0.00 0.00 175.76 177.59 1cx1 s THR 108 N 0.06 4.91 -0.10 0.00 -4.23 -1.26 -3.13 115.64 111.89 1cx1 s THR 108 Ca -0.02 1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 1cx1 s THR 108 Cb -0.04 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1cx1 s THR 108 CO 0.02 0.53 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.46 1cx1 s ARG 109 N -0.85 3.12 -0.37 3.99 1.81 -1.12 -4.89 118.95 120.65 1cx1 s ARG 109 Ca 0.27 -0.50 -0.02 0.00 -1.72 0.00 0.00 55.73 53.76 1cx1 s ARG 109 Cb -0.18 -2.75 0.09 0.00 -0.45 0.00 0.00 34.95 31.66 1cx1 s ARG 109 CO 0.16 0.53 0.13 -1.21 -0.68 0.00 0.00 175.30 174.23 1cx1 s GLU 110 N -0.44 2.11 -0.23 3.54 2.02 -1.23 -2.88 118.70 121.59 1cx1 s GLU 110 Ca 0.07 -1.63 -0.06 0.00 0.02 0.00 0.00 54.97 53.37 1cx1 s GLU 110 Cb -0.12 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1cx1 s GLU 110 CO 0.02 -0.91 0.01 0.71 0.02 0.00 0.00 175.26 175.11 1cx1 s TYR 111 N 1.17 3.02 0.22 1.61 2.02 -1.12 -4.84 117.35 119.42 1cx1 s TYR 111 Ca 0.04 -0.68 0.10 0.00 -0.37 0.00 0.00 57.07 56.15 1cx1 s TYR 111 Cb -0.21 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 1cx1 s TYR 111 CO -0.03 -0.45 -0.10 0.00 -1.57 0.00 0.00 175.55 173.39 1cx1 s ALA 112 N 1.53 2.93 0.34 3.71 0.00 -1.26 -2.47 121.76 126.54 1cx1 s ALA 112 Ca 0.06 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1cx1 s ALA 112 Cb -0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1cx1 s ALA 112 CO 0.00 0.39 0.40 -0.59 0.00 0.00 0.00 175.76 175.96 1cx1 s PHE 113 N -1.96 1.36 -0.30 0.00 -0.71 -1.10 -4.94 117.98 110.32 1cx1 s PHE 113 Ca 0.27 -1.46 -0.09 0.00 -1.04 0.00 0.00 56.93 54.61 1cx1 s PHE 113 Cb -0.08 -0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1cx1 s PHE 113 CO 0.16 -1.04 0.13 0.95 -1.34 0.00 0.00 175.22 174.08 1cx1 s THR 114 N -3.18 4.43 -0.15 -4.49 -4.23 -1.26 -2.45 115.64 104.30 1cx1 s THR 114 Ca 0.35 -0.46 -0.39 0.00 -1.18 0.00 0.00 61.69 60.01 1cx1 s THR 114 Cb 0.01 -3.25 -0.16 0.00 1.34 0.00 0.00 72.50 70.44 1cx1 s THR 114 CO 0.23 0.09 1.64 -1.20 -0.54 0.00 0.00 174.62 174.84 1cx1 n SER 115 N 4.95 2.28 -0.04 3.99 7.64 0.49 -4.82 113.62 128.11 1cx1 n SER 115 Ca -0.14 1.08 -0.05 0.00 1.01 0.00 0.00 58.87 60.77 1cx1 n SER 115 Cb 0.49 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 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 4.62 3.41 -4.53 6.43 4.13 -1.26 -0.52 115.26 127.54 1cx1 n ASN 116 Ca 0.24 -0.03 -0.32 0.00 1.68 0.00 0.00 54.58 56.14 1cx1 n ASN 116 Cb 0.16 0.01 -0.12 0.00 -1.54 0.00 0.00 39.78 38.30 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1cx1 s LEU 117 N -5.28 2.93 -0.62 3.41 2.01 -1.26 -4.67 118.68 115.19 1cx1 s LEU 117 Ca -0.09 -0.22 -0.27 0.00 0.01 0.00 0.00 54.13 53.56 1cx1 s LEU 117 Cb 0.03 -1.67 0.03 0.00 0.01 0.00 0.00 46.19 44.59 1cx1 s LEU 117 CO 0.19 0.30 1.16 0.42 1.01 0.00 0.00 176.35 179.43 1cx1 s THR 118 N -0.91 4.02 -0.51 5.49 -4.23 -1.26 -3.67 115.64 114.58 1cx1 s THR 118 Ca 0.15 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1cx1 s THR 118 Cb -0.11 -4.74 0.13 0.00 1.34 0.00 0.00 72.50 69.12 1cx1 s THR 118 CO 0.05 -1.45 0.32 -0.36 -0.54 0.00 0.00 174.62 172.64 1cx1 s PHE 119 N 4.93 3.50 0.76 3.99 0.08 -0.21 -4.97 117.98 126.07 1cx1 s PHE 119 Ca 0.37 -2.50 -0.12 0.00 0.12 0.00 0.00 56.93 54.81 1cx1 s PHE 119 Cb -0.09 -3.24 0.05 0.00 -0.57 0.00 0.00 43.02 39.17 1cx1 s PHE 119 CO 0.20 -0.92 1.12 -1.25 -0.10 0.00 0.00 175.22 174.27 1cx1 s PRO 120 N 0.65 2.37 0.41 0.24 0.04 -1.26 -1.01 135.00 136.44 1cx1 s PRO 120 Ca 0.12 0.41 0.23 0.00 0.04 0.00 0.00 61.00 61.80 1cx1 s PRO 120 Cb -0.22 -1.97 0.36 0.00 0.04 0.00 0.00 34.50 32.71 1cx1 s PRO 120 CO -0.04 -1.37 1.59 -1.00 0.04 0.00 0.00 177.00 176.23 1cx1 h PRO 121 N -0.90 0.00 -6.15 0.56 0.13 -1.91 -3.39 132.00 120.34 1cx1 h PRO 121 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1cx1 h PRO 121 Cb 1.28 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.11 1cx1 h PRO 121 CO 0.63 0.00 -0.87 -0.51 -0.23 0.00 0.00 178.00 177.02 1cx1 s ASP 122 N -6.04 3.21 0.00 1.44 1.11 -1.26 -4.04 116.67 111.08 1cx1 s ASP 122 Ca 0.07 -0.46 0.00 0.00 0.18 0.00 0.00 52.55 52.34 1cx1 s ASP 122 Cb 0.06 -0.76 0.00 0.00 1.07 0.00 0.00 42.92 43.29 1cx1 s ASP 122 CO 0.67 0.27 0.00 0.61 1.18 0.00 0.00 175.17 177.90 1cx1 n GLY 123 N 2.79 -0.01 0.00 0.21 0.00 -1.26 -4.87 105.19 102.06 1cx1 n GLY 123 Ca -0.17 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 1.55 -3.51 1.61 9.92 -1.26 -4.97 116.55 119.89 1cx1 n ASP 124 Ca 0.00 -0.20 -0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1cx1 n ASP 124 Cb 0.00 1.48 -0.05 0.00 -0.64 0.00 0.00 41.12 41.91 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 125 N -2.79 -2.46 1.00 2.24 0.00 -1.26 -4.66 121.76 113.83 1cx1 s ALA 125 Ca -0.03 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1cx1 s ALA 125 Cb 0.09 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1cx1 s ALA 125 CO 0.57 -0.81 0.00 -0.35 0.00 0.00 0.00 175.76 175.17 1cx1 n PRO 126 N 4.81 1.05 -0.54 0.00 -0.04 -1.26 -4.56 135.00 134.46 1cx1 n PRO 126 Ca -0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1cx1 n PRO 126 Cb 0.53 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.22 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 4.16 -2.07 3.44 0.55 0.00 -1.26 -3.93 105.19 106.07 1cx1 n GLY 127 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.16 0.59 0.01 1.61 0.74 0.17 -4.14 119.66 114.48 1cx1 s GLN 128 Ca 0.65 0.87 -0.02 0.00 0.05 0.00 0.00 55.36 56.91 1cx1 s GLN 128 Cb -0.22 0.18 -0.01 0.00 1.10 0.00 0.00 33.01 34.06 1cx1 s GLN 128 CO 0.65 -0.11 0.01 0.08 -0.55 0.00 0.00 175.29 175.37 1cx1 s VAL 129 N 0.89 0.09 -0.30 1.34 1.01 0.70 -1.68 120.40 122.45 1cx1 s VAL 129 Ca -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1cx1 s VAL 129 Cb -0.05 -0.27 0.19 0.00 0.00 0.00 0.00 36.38 36.24 1cx1 s VAL 129 CO -0.07 -0.41 0.80 0.00 0.00 0.00 0.00 175.10 175.41 1cx1 s ALA 130 N -1.27 -2.93 -0.47 5.51 0.00 -1.09 -2.41 121.76 119.10 1cx1 s ALA 130 Ca -0.14 1.46 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1cx1 s ALA 130 Cb -0.08 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1cx1 s ALA 130 CO -0.00 -1.62 0.99 -0.06 0.00 0.00 0.00 175.76 175.06 1cx1 s PHE 131 N 2.90 2.89 -0.28 0.00 0.40 -1.03 -2.78 117.98 120.08 1cx1 s PHE 131 Ca 0.14 0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 56.83 1cx1 s PHE 131 Cb -0.10 -4.12 -0.05 0.00 0.51 0.00 0.00 43.02 39.26 1cx1 s PHE 131 CO -0.20 -1.16 0.21 -1.01 0.70 0.00 0.00 175.22 173.77 1cx1 s HIS 132 N 3.97 3.23 0.00 0.36 3.76 0.02 -2.55 115.29 124.09 1cx1 s HIS 132 Ca 0.40 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1cx1 s HIS 132 Cb -0.09 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.20 1cx1 s HIS 132 CO 0.28 -0.16 0.06 1.28 -0.85 0.00 0.00 174.74 175.35 1cx1 n LEU 133 N 5.06 0.12 -4.69 0.89 4.32 -1.23 -1.66 117.00 119.82 1cx1 n LEU 133 Ca -0.13 -0.31 -0.44 0.00 -0.02 0.00 0.00 56.01 55.10 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 0.34 0.03 1.39 0.61 -1.22 0.00 0.00 177.39 178.54 1cx1 n GLY 134 N 0.38 1.48 3.64 -0.72 0.00 -1.25 -4.62 105.19 104.09 1cx1 n GLY 134 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 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 2.34 0.63 0.56 1.61 1.02 -1.26 -3.82 119.74 120.82 1cx1 s LYS 135 Ca 0.82 1.17 0.06 0.00 0.02 0.00 0.00 55.97 58.04 1cx1 s LYS 135 Cb -0.57 0.25 0.32 0.00 -0.52 0.00 0.00 37.83 37.30 1cx1 s LYS 135 CO 0.40 -0.15 1.11 0.00 -0.92 0.00 0.00 175.35 175.79 1cx1 h ALA 136 N 7.04 1.71 -0.06 5.17 0.00 -1.61 5.87 119.26 137.37 1cx1 h ALA 136 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cx1 h ALA 136 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cx1 h ALA 136 CO 0.15 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1cx1 n GLY 137 N -1.38 2.98 0.00 0.00 0.00 -1.26 -4.26 105.19 101.27 1cx1 n GLY 137 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.32 0.00 -2.00 4.61 0.00 1.90 -5.01 120.51 119.69 1cx1 n ALA 138 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cx1 n ALA 138 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.16 0.00 -4.52 0.00 0.18 0.45 -4.81 117.16 108.30 1cx1 n TYR 139 Ca 0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.57 1cx1 n TYR 139 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 1cx1 n TYR 139 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1cx1 s GLU 140 N 2.41 1.03 -0.22 -3.48 2.02 -0.74 -0.58 118.70 119.15 1cx1 s GLU 140 Ca 0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1cx1 s GLU 140 Cb 0.00 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.28 1cx1 s GLU 140 CO 0.00 0.22 -0.12 0.12 0.02 0.00 0.00 175.26 175.50 1cx1 s PHE 141 N -0.13 2.98 -0.43 1.61 5.36 -1.18 -2.87 117.98 123.32 1cx1 s PHE 141 Ca 0.02 -1.65 -0.02 0.00 -0.96 0.00 0.00 56.93 54.32 1cx1 s PHE 141 Cb -0.06 -1.99 0.12 0.00 -0.34 0.00 0.00 43.02 40.74 1cx1 s PHE 141 CO -0.00 -0.76 0.22 0.00 -1.46 0.00 0.00 175.22 173.22 1cx1 s ILE 143 N 0.90 3.10 0.00 0.00 2.07 -0.53 -2.49 121.20 124.25 1cx1 s ILE 143 Ca 0.10 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 1cx1 s ILE 143 Cb -0.22 -2.25 0.00 0.00 0.13 0.00 0.00 42.46 40.12 1cx1 s ILE 143 CO -0.04 0.51 0.00 -1.54 -1.91 0.00 0.00 174.94 171.96 1cx1 n SER 144 N 2.04 0.16 -3.34 4.50 3.41 -1.20 -1.23 113.62 117.95 1cx1 n SER 144 Ca -0.17 -0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.09 1cx1 n SER 144 Cb 0.52 0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.49 1.86 -0.30 4.33 -0.21 -1.26 0.10 119.66 123.69 1cx1 s GLN 145 Ca 0.00 -1.70 -0.19 0.00 0.02 0.00 0.00 55.36 53.49 1cx1 s GLN 145 Cb 0.00 0.44 0.19 0.00 1.00 0.00 0.00 33.01 34.65 1cx1 s GLN 145 CO 0.00 -0.77 1.29 0.54 -2.12 0.00 0.00 175.29 174.23 1cx1 s VAL 146 N -3.16 -0.04 0.12 1.09 0.11 -1.26 -2.77 120.40 114.49 1cx1 s VAL 146 Ca 0.30 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.43 1cx1 s VAL 146 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1cx1 s VAL 146 CO 0.19 0.00 -0.21 -0.94 -3.33 0.00 0.00 175.10 170.81 1cx1 s SER 147 N 2.26 2.64 -0.06 3.54 1.04 -1.15 -4.29 113.70 117.68 1cx1 s SER 147 Ca -0.02 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 1cx1 s SER 147 Cb -0.02 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1cx1 s SER 147 CO -0.14 0.05 -0.00 -0.22 0.98 0.00 0.00 173.24 173.91 1cx1 s LEU 148 N -2.09 0.74 0.00 2.42 2.96 -1.26 -2.83 118.68 118.61 1cx1 s LEU 148 Ca 0.09 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1cx1 s LEU 148 Cb -0.09 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.19 1cx1 s LEU 148 CO 0.05 -0.17 0.00 1.07 -1.32 0.00 0.00 176.35 175.98 1cx1 n THR 149 N 4.89 0.00 0.00 3.68 5.66 -1.17 -2.94 114.28 124.40 1cx1 n THR 149 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1cx1 n THR 149 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -3.91 1.09 5.66 -1.26 -2.29 114.28 113.57 1cx1 n THR 150 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1cx1 n THR 150 Cb 0.00 -0.07 0.01 0.00 -1.55 0.00 0.00 70.33 68.73 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 -1.64 -4.61 -4.76 1.09 2.88 -1.26 -4.69 113.62 100.62 1cx1 n SER 151 Ca 0.00 -1.12 -0.40 0.00 -1.33 0.00 0.00 58.87 56.02 1cx1 n SER 151 Cb 0.00 -1.88 -0.03 0.00 -0.75 0.00 0.00 64.21 61.55 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 s ALA 152 N -3.29 3.43 0.00 -1.46 0.00 -1.20 -4.81 121.76 114.43 1cx1 s ALA 152 Ca 0.28 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1cx1 s ALA 152 Cb -0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1cx1 s ALA 152 CO 0.93 -0.38 0.03 2.41 0.00 0.00 0.00 175.76 178.76