#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 7.64 -1.26 -5.07 113.62 114.93 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cx1 n LEU 3 N 0.00 0.00 -0.53 -3.43 0.00 -1.26 -4.96 117.00 106.82 1cx1 n LEU 3 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.07 1cx1 n LEU 3 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 43.42 43.61 1cx1 n LEU 3 CO 0.00 0.00 0.52 -0.67 0.00 0.00 0.00 177.39 177.24 1cx1 n ASP 4 N 0.00 2.26 -2.12 1.96 2.03 -1.26 -4.00 116.55 115.42 1cx1 n ASP 4 Ca 0.00 -3.52 -0.27 0.00 0.52 0.00 0.00 54.79 51.53 1cx1 n ASP 4 Cb 0.00 -0.51 0.12 0.00 -0.72 0.00 0.00 41.12 40.01 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 -1.18 5.57 -2.54 1.67 7.64 -1.26 -4.99 113.62 118.53 1cx1 n SER 5 Ca 0.20 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1cx1 n SER 5 Cb 0.74 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cx1 n GLU 6 N -0.99 -0.61 -0.89 1.43 1.02 -1.26 -4.74 120.64 114.60 1cx1 n GLU 6 Ca 0.56 0.79 -0.35 0.00 -0.02 0.00 0.00 57.16 58.14 1cx1 n GLU 6 Cb 1.04 -0.71 0.08 0.00 -0.02 0.00 0.00 31.44 31.83 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1cx1 n VAL 7 N 1.67 0.00 -3.16 2.62 0.31 -1.26 -4.95 118.33 113.55 1cx1 n VAL 7 Ca 0.00 -0.30 -0.20 0.00 -0.01 0.00 0.00 64.34 63.83 1cx1 n VAL 7 Cb 0.20 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.50 0.86 0.00 5.55 2.13 -1.26 -4.45 120.64 123.97 1cx1 n GLU 8 Ca 0.01 -3.23 0.00 0.00 0.66 0.00 0.00 57.16 54.61 1cx1 n GLU 8 Cb 0.59 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1cx1 n GLU 8 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1cx1 n LEU 9 N 0.78 0.64 -3.95 4.31 4.77 -1.24 -4.34 117.00 117.97 1cx1 n LEU 9 Ca 0.22 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 1cx1 n LEU 9 Cb 0.61 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1cx1 n LEU 9 CO 0.19 0.16 0.01 -0.22 -1.33 0.00 0.00 177.39 176.20 1cx1 s LEU 10 N -0.35 4.89 0.00 2.23 0.20 -1.26 -4.21 118.68 120.17 1cx1 s LEU 10 Ca 0.00 -3.65 0.00 0.00 0.69 0.00 0.00 54.13 51.17 1cx1 s LEU 10 Cb 0.00 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 1cx1 s LEU 10 CO 0.00 -0.14 0.00 -2.65 -0.29 0.00 0.00 176.35 173.27 1cx1 n PRO 11 N 2.28 0.00 -3.64 0.98 -0.02 -1.26 -4.47 135.00 128.87 1cx1 n PRO 11 Ca 0.17 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.58 1cx1 n PRO 11 Cb 0.35 -1.15 -0.07 0.00 -0.02 0.00 0.00 33.50 32.61 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1cx1 s HIS 12 N 1.08 -0.40 -0.39 6.00 2.46 -1.26 -5.01 115.29 117.77 1cx1 s HIS 12 Ca 0.00 0.94 0.01 0.00 0.47 0.00 0.00 55.06 56.48 1cx1 s HIS 12 Cb 0.00 0.38 0.26 0.00 -0.13 0.00 0.00 32.58 33.09 1cx1 s HIS 12 CO 0.00 -0.19 1.10 -2.37 -2.47 0.00 0.00 174.74 170.81 1cx1 n THR 13 N 2.23 0.00 -2.70 0.89 5.66 -1.26 -4.72 114.28 114.37 1cx1 n THR 13 Ca -0.13 -0.97 -0.04 0.00 -3.05 0.00 0.00 64.05 59.86 1cx1 n THR 13 Cb 0.56 1.23 0.04 0.00 -1.55 0.00 0.00 70.33 70.60 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 14 N 1.61 -2.17 -1.30 1.09 3.41 -1.26 -4.73 113.62 110.26 1cx1 n SER 14 Ca 0.05 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1cx1 n SER 14 Cb 0.67 1.15 0.18 0.00 -0.26 0.00 0.00 64.21 65.96 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cx1 n PHE 15 N 2.39 1.18 0.04 7.33 3.01 -0.95 -3.93 117.46 126.53 1cx1 n PHE 15 Ca 0.11 -0.54 0.01 0.00 1.01 0.00 0.00 57.45 58.04 1cx1 n PHE 15 Cb 0.63 -0.38 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.18 2.01 -0.03 4.37 0.00 -1.25 -3.59 120.51 122.20 1cx1 n ALA 16 Ca 0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1cx1 n ALA 16 Cb 0.81 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.86 0.28 -3.86 0.00 -0.58 -1.25 -4.40 120.64 107.96 1cx1 n GLU 17 Ca -0.08 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.65 1cx1 n GLU 17 Cb 0.80 -0.98 -0.12 0.00 -0.57 0.00 0.00 31.44 30.57 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 -5.99 -0.03 0.46 1.62 0.01 -1.26 -4.87 113.70 103.63 1cx1 s SER 18 Ca -0.15 0.02 0.28 0.00 1.31 0.00 0.00 55.95 57.40 1cx1 s SER 18 Cb 0.03 0.19 1.33 0.00 0.21 0.00 0.00 66.02 67.78 1cx1 s SER 18 CO 0.22 -0.14 1.74 -0.07 0.41 0.00 0.00 173.24 175.40 1cx1 h LEU 19 N 5.44 0.25 0.00 2.44 -0.00 -1.87 -3.41 115.31 118.17 1cx1 h LEU 19 Ca -0.27 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1cx1 h LEU 19 Cb 1.20 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1cx1 h LEU 19 CO 0.43 -0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 1cx1 n GLY 20 N -1.59 -1.74 0.35 0.83 0.00 -1.26 -3.80 105.19 97.97 1cx1 n GLY 20 Ca 0.29 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 45.12 1cx1 n GLY 20 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cx1 h PRO 21 N 0.00 0.00 0.00 1.61 0.11 -1.95 -3.42 132.00 128.35 1cx1 h PRO 21 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cx1 h PRO 21 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cx1 h PRO 21 CO 0.00 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.70 1cx1 n TRP 22 N -3.12 -1.15 -3.91 0.65 7.02 -1.25 -4.96 117.44 110.71 1cx1 n TRP 22 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1cx1 n TRP 22 Cb 0.41 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.22 1cx1 n TRP 22 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1cx1 s SER 23 N -1.82 0.12 -0.27 -0.99 0.01 -0.98 -4.92 113.70 104.85 1cx1 s SER 23 Ca 0.00 -0.76 -0.23 0.00 1.31 0.00 0.00 55.95 56.27 1cx1 s SER 23 Cb 0.00 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.66 1cx1 s SER 23 CO 0.00 -0.77 0.72 -1.48 0.41 0.00 0.00 173.24 172.11 1cx1 s LEU 24 N -2.91 -0.79 -0.26 2.44 0.05 -1.26 -2.26 118.68 113.69 1cx1 s LEU 24 Ca 0.10 1.46 -0.31 0.00 0.05 0.00 0.00 54.13 55.42 1cx1 s LEU 24 Cb 0.05 2.45 0.18 0.00 -2.05 0.00 0.00 46.19 46.81 1cx1 s LEU 24 CO -0.07 -0.25 1.31 -0.72 -0.55 0.00 0.00 176.35 176.07 1cx1 s TYR 25 N 0.65 -0.08 0.00 3.48 1.13 -1.15 -4.99 117.35 116.38 1cx1 s TYR 25 Ca -0.02 0.11 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 1cx1 s TYR 25 Cb -0.05 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1cx1 s TYR 25 CO -0.04 -0.08 0.00 0.41 -2.51 0.00 0.00 175.55 173.33 1cx1 n GLY 26 N 0.40 1.85 0.00 5.49 0.00 -1.26 -2.85 105.19 108.83 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 -0.14 0.00 -1.73 2.61 5.66 -1.16 -4.18 114.28 115.33 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 -4.55 1.09 3.41 -1.26 -5.02 113.62 107.29 1cx1 n SER 28 Ca 0.00 -0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 57.62 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 -0.70 -0.16 0.00 0.00 175.04 174.18 1cx1 s GLU 29 N -0.62 3.48 0.75 4.33 2.12 -1.26 -4.92 118.70 122.57 1cx1 s GLU 29 Ca 0.00 -0.10 -0.17 0.00 0.36 0.00 0.00 54.97 55.06 1cx1 s GLU 29 Cb 0.00 -3.89 -0.10 0.00 0.26 0.00 0.00 34.13 30.39 1cx1 s GLU 29 CO 0.00 -0.94 -0.10 -2.30 -0.54 0.00 0.00 175.26 171.38 1cx1 n PRO 30 N 6.34 0.08 -3.56 4.30 -0.02 -1.26 -4.84 135.00 136.03 1cx1 n PRO 30 Ca 0.00 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 1cx1 n PRO 30 Cb 0.48 -1.31 -0.15 0.00 -0.02 0.00 0.00 33.50 32.50 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 -2.00 -0.00 -1.17 -1.45 1.01 -1.05 -4.92 120.40 110.82 1cx1 s VAL 31 Ca 0.54 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 1cx1 s VAL 31 Cb -0.34 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1cx1 s VAL 31 CO 0.69 -0.71 1.81 0.72 0.00 0.00 0.00 175.10 177.60 1cx1 s PHE 32 N 2.07 2.30 0.00 5.22 -0.12 -1.25 -3.08 117.98 123.12 1cx1 s PHE 32 Ca 0.09 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1cx1 s PHE 32 Cb -0.16 -4.36 0.00 0.00 -0.63 0.00 0.00 43.02 37.86 1cx1 s PHE 32 CO -0.35 -1.58 0.00 0.00 -0.05 0.00 0.00 175.22 173.24 1cx1 n ALA 33 N 11.51 0.00 -0.35 1.99 0.00 0.15 -4.54 120.51 129.27 1cx1 n ALA 33 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.62 1cx1 n ALA 33 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 0.52 0.00 0.00 9.92 -1.26 -3.70 116.55 122.04 1cx1 n ASP 34 Ca 0.00 -2.16 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1cx1 n ASP 34 Cb 0.00 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 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 4.50 0.00 3.27 0.44 0.00 -1.26 -4.91 105.19 107.24 1cx1 n GLY 35 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N -1.56 1.74 -0.18 1.61 1.70 -1.24 -3.76 118.95 117.26 1cx1 s ARG 36 Ca 0.00 -0.90 -0.02 0.00 -0.47 0.00 0.00 55.73 54.34 1cx1 s ARG 36 Cb 0.00 -1.76 -0.01 0.00 -0.57 0.00 0.00 34.95 32.61 1cx1 s ARG 36 CO 0.00 0.47 -0.10 1.41 -1.08 0.00 0.00 175.30 176.01 1cx1 s MET 37 N -0.80 3.33 0.12 3.89 -2.45 -1.02 0.31 119.30 122.67 1cx1 s MET 37 Ca 0.09 -0.67 0.07 0.00 -1.25 0.00 0.00 55.69 53.92 1cx1 s MET 37 Cb -0.09 -2.82 -0.04 0.00 1.25 0.00 0.00 34.83 33.14 1cx1 s MET 37 CO 0.00 -0.05 -0.16 0.00 1.05 0.00 0.00 175.02 175.86 1cx1 s VAL 39 N -1.82 3.34 -0.26 0.00 -7.23 -0.86 -2.53 120.40 111.03 1cx1 s VAL 39 Ca 0.08 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 1cx1 s VAL 39 Cb -0.07 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1cx1 s VAL 39 CO 0.04 0.43 1.19 -1.81 -0.31 0.00 0.00 175.10 174.64 1cx1 s ASP 40 N 1.47 6.88 -0.51 4.85 1.11 -1.26 -3.04 116.67 126.16 1cx1 s ASP 40 Ca 0.06 1.32 -0.01 0.00 0.18 0.00 0.00 52.55 54.10 1cx1 s ASP 40 Cb -0.14 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.44 1cx1 s ASP 40 CO -0.04 -0.88 0.30 -0.76 1.18 0.00 0.00 175.17 174.97 1cx1 s LEU 41 N 3.78 5.05 -0.14 1.23 2.01 -1.00 -4.22 118.68 125.39 1cx1 s LEU 41 Ca 0.51 -2.54 -0.13 0.00 0.01 0.00 0.00 54.13 51.97 1cx1 s LEU 41 Cb -0.17 -1.79 -0.24 0.00 0.01 0.00 0.00 46.19 44.00 1cx1 s LEU 41 CO 0.16 -0.41 0.35 1.55 1.01 0.00 0.00 176.35 179.02 1cx1 h PRO 42 N 7.33 0.18 0.00 1.29 0.13 -1.68 -2.32 132.00 136.93 1cx1 h PRO 42 Ca -0.06 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1cx1 h PRO 42 Cb 0.98 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1cx1 h PRO 42 CO 0.69 1.15 0.00 0.41 -0.23 0.00 0.00 178.00 180.01 1cx1 n GLY 43 N 1.77 2.06 0.00 1.56 0.00 -1.16 -4.49 105.19 104.93 1cx1 n GLY 43 Ca -0.31 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 -0.88 0.00 -0.02 0.00 -1.08 -4.93 105.19 97.97 1cx1 n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.74 0.00 1.61 1.13 -1.20 -4.92 117.38 116.74 1cx1 n GLN 45 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1cx1 n GLN 45 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1cx1 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cx1 n GLY 46 N 5.00 -0.63 3.92 1.08 0.00 -1.26 -4.41 105.19 108.90 1cx1 n GLY 46 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 6.36 0.21 1.61 2.20 -1.26 -4.56 114.94 119.51 1cx1 s ASN 47 Ca 0.00 0.27 -0.21 0.00 -0.94 0.00 0.00 52.86 51.98 1cx1 s ASN 47 Cb 0.00 -1.96 0.17 0.00 -2.00 0.00 0.00 41.25 37.46 1cx1 s ASN 47 CO 0.00 0.14 1.55 -0.65 -2.94 0.00 0.00 177.10 175.20 1cx1 h PRO 48 N 2.89 -0.01 -2.33 3.55 0.11 -1.95 0.08 132.00 134.34 1cx1 h PRO 48 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1cx1 h PRO 48 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1cx1 h PRO 48 CO 0.74 -0.00 0.02 -2.67 -0.21 0.00 0.00 178.00 175.88 1cx1 n TRP 49 N -5.42 0.00 0.19 0.65 2.14 -1.26 -3.34 117.44 110.40 1cx1 n TRP 49 Ca 0.08 -0.72 0.02 0.00 2.07 0.00 0.00 57.50 58.95 1cx1 n TRP 49 Cb 0.37 -0.84 -0.02 0.00 -0.81 0.00 0.00 31.31 30.01 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1cx1 n ASP 50 N 2.44 0.37 -3.27 -0.67 9.92 0.01 -4.93 116.55 120.42 1cx1 n ASP 50 Ca 0.16 -0.69 0.03 0.00 -0.53 0.00 0.00 54.79 53.77 1cx1 n ASP 50 Cb 0.42 0.85 -0.03 0.00 -0.64 0.00 0.00 41.12 41.72 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 -1.24 -3.05 0.00 2.24 0.00 -1.21 -2.99 121.76 115.50 1cx1 s ALA 51 Ca 0.02 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1cx1 s ALA 51 Cb 0.03 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1cx1 s ALA 51 CO 0.15 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1cx1 n GLY 52 N 5.05 0.96 0.00 0.00 0.00 -1.13 -1.81 105.19 108.25 1cx1 n GLY 52 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.54 0.99 4.77 -1.01 -2.94 117.00 115.27 1cx1 n LEU 53 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1cx1 n LEU 53 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1cx1 n LEU 53 CO 0.00 -0.36 0.40 -0.69 -1.33 0.00 0.00 177.39 175.42 1cx1 s VAL 54 N 0.57 0.00 -0.29 4.08 1.01 -0.96 -2.24 120.40 122.57 1cx1 s VAL 54 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1cx1 s VAL 54 Cb 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 36.38 35.29 1cx1 s VAL 54 CO 0.00 -0.01 1.37 -0.47 0.00 0.00 0.00 175.10 175.99 1cx1 s TYR 55 N -3.80 -0.12 0.00 5.22 5.04 -0.92 -2.32 117.35 120.46 1cx1 s TYR 55 Ca 0.04 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1cx1 s TYR 55 Cb -0.02 0.46 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1cx1 s TYR 55 CO -0.08 -0.06 0.00 0.09 -1.34 0.00 0.00 175.55 174.16 1cx1 n ASN 56 N 1.64 1.33 -0.59 4.32 5.03 -1.26 -0.43 115.26 125.30 1cx1 n ASN 56 Ca -0.10 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 54.93 1cx1 n ASN 56 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 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 0.61 2.56 7.41 0.00 -1.26 -4.74 105.19 114.77 1cx1 n GLY 57 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.00 -0.45 -0.77 1.61 0.31 -1.26 -4.30 118.33 112.48 1cx1 n VAL 58 Ca 0.00 -2.30 -0.21 0.00 -0.01 0.00 0.00 64.34 61.82 1cx1 n VAL 58 Cb 0.35 -0.12 0.07 0.00 -0.91 0.00 0.00 33.84 33.23 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 2.34 -0.78 -3.68 5.55 -0.02 -1.26 -4.32 135.00 132.83 1cx1 n PRO 59 Ca 0.20 -0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.27 1cx1 n PRO 59 Cb 0.55 -1.21 -0.16 0.00 -0.02 0.00 0.00 33.50 32.66 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 -2.05 -0.20 -0.21 -1.45 1.01 -0.87 -4.93 120.40 111.70 1cx1 s VAL 60 Ca 0.28 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1cx1 s VAL 60 Cb 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.21 1cx1 s VAL 60 CO 0.39 0.15 0.08 -0.83 0.00 0.00 0.00 175.10 174.89 1cx1 s GLY 61 N 2.16 0.52 0.94 4.51 0.00 -1.26 -1.27 107.32 112.93 1cx1 s GLY 61 Ca 0.03 -0.64 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 1cx1 s GLY 61 CO -0.05 1.69 -0.97 -2.21 0.00 0.00 0.00 173.10 171.56 1cx1 n GLU 62 N 5.18 -0.39 0.00 2.90 0.00 0.01 -2.24 120.64 126.10 1cx1 n GLU 62 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1cx1 n GLU 62 Cb 0.47 -1.14 0.00 0.00 0.00 0.00 0.00 31.44 30.77 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 3.13 1.32 3.81 8.31 0.00 -1.26 -4.77 105.19 115.73 1cx1 n GLY 63 Ca -0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 3.79 0.04 1.61 2.02 -0.95 -4.94 118.70 120.28 1cx1 s GLU 64 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 1cx1 s GLU 64 Cb 0.00 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1cx1 s GLU 64 CO 0.00 0.56 0.21 -1.12 0.02 0.00 0.00 175.26 174.93 1cx1 s SER 65 N -0.41 6.37 0.54 -0.19 0.01 -1.26 -3.23 113.70 115.53 1cx1 s SER 65 Ca 0.13 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.76 1cx1 s SER 65 Cb -0.12 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.18 1cx1 s SER 65 CO 0.02 0.20 0.47 -0.31 0.41 0.00 0.00 173.24 174.03 1cx1 s TYR 66 N -1.46 1.66 0.12 2.43 2.02 -1.01 -4.78 117.35 116.34 1cx1 s TYR 66 Ca 0.33 -0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 1cx1 s TYR 66 Cb -0.13 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1cx1 s TYR 66 CO 0.25 -0.57 0.34 0.08 -1.57 0.00 0.00 175.55 174.08 1cx1 s VAL 67 N -2.73 0.09 -0.15 0.71 1.01 -0.07 -2.77 120.40 116.49 1cx1 s VAL 67 Ca 0.40 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1cx1 s VAL 67 Cb -0.03 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.12 1cx1 s VAL 67 CO 0.25 -0.40 0.18 -0.22 0.00 0.00 0.00 175.10 174.91 1cx1 s LEU 68 N -2.84 -0.03 -0.84 3.92 2.96 -0.83 -2.79 118.68 118.23 1cx1 s LEU 68 Ca 0.05 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1cx1 s LEU 68 Cb 0.03 0.25 0.21 0.00 0.50 0.00 0.00 46.19 47.18 1cx1 s LEU 68 CO -0.10 -0.30 0.72 -0.94 -1.32 0.00 0.00 176.35 174.42 1cx1 s SER 69 N 2.29 5.99 -0.10 3.68 1.04 -0.57 -2.69 113.70 123.34 1cx1 s SER 69 Ca 0.04 -3.41 -0.15 0.00 0.48 0.00 0.00 55.95 52.91 1cx1 s SER 69 Cb -0.14 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1cx1 s SER 69 CO -0.09 -0.27 0.39 0.72 0.98 0.00 0.00 173.24 174.97 1cx1 s PHE 70 N -0.90 3.56 -0.74 5.02 -0.12 -1.16 -3.04 117.98 120.60 1cx1 s PHE 70 Ca 0.24 0.81 -0.24 0.00 -0.05 0.00 0.00 56.93 57.69 1cx1 s PHE 70 Cb -0.11 -2.39 0.05 0.00 -0.63 0.00 0.00 43.02 39.94 1cx1 s PHE 70 CO -0.09 0.33 1.16 0.95 -0.05 0.00 0.00 175.22 177.52 1cx1 s THR 71 N 0.07 4.03 0.02 -4.49 -4.23 -0.26 -2.48 115.64 108.30 1cx1 s THR 71 Ca 0.22 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1cx1 s THR 71 Cb -0.15 -4.83 -0.00 0.00 1.34 0.00 0.00 72.50 68.86 1cx1 s THR 71 CO 0.09 -1.69 0.14 0.00 -0.54 0.00 0.00 174.62 172.62 1cx1 s ALA 72 N 4.86 -0.28 -0.08 3.99 0.00 -1.14 -3.28 121.76 125.82 1cx1 s ALA 72 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 1cx1 s ALA 72 Cb -0.11 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1cx1 s ALA 72 CO 0.10 -0.26 -0.04 -1.54 0.00 0.00 0.00 175.76 174.02 1cx1 s SER 73 N -1.69 1.70 0.03 0.00 1.04 -0.93 -4.01 113.70 109.84 1cx1 s SER 73 Ca -0.11 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 55.88 1cx1 s SER 73 Cb -0.05 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 1cx1 s SER 73 CO -0.01 -0.14 0.82 0.00 0.98 0.00 0.00 173.24 174.90 1cx1 s ALA 74 N 1.65 3.31 -0.13 5.32 0.00 0.70 -3.11 121.76 129.50 1cx1 s ALA 74 Ca 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1cx1 s ALA 74 Cb -0.13 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1cx1 s ALA 74 CO -0.05 -0.03 -0.03 0.95 0.00 0.00 0.00 175.76 176.60 1cx1 s THR 75 N 0.29 0.82 0.00 0.00 -4.23 -1.09 -0.97 115.64 110.45 1cx1 s THR 75 Ca 0.42 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1cx1 s THR 75 Cb -0.21 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1cx1 s THR 75 CO 0.24 0.18 0.00 -2.65 -0.54 0.00 0.00 174.62 171.85 1cx1 n PRO 76 N 4.99 3.07 -3.72 3.99 -0.02 -1.26 0.16 135.00 142.20 1cx1 n PRO 76 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 1cx1 n PRO 76 Cb 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.92 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 6.48 0.00 2.55 1.01 -1.25 -4.32 116.67 119.45 1cx1 s ASP 77 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 52.55 53.81 1cx1 s ASP 77 Cb 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1cx1 s ASP 77 CO 0.00 0.12 0.00 1.15 0.21 0.00 0.00 175.17 176.65 1cx1 n MET 78 N 0.41 0.00 -2.39 8.23 0.00 -0.88 -5.02 117.12 117.47 1cx1 n MET 78 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.22 1cx1 n MET 78 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.72 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 4.09 0.84 3.17 0.04 -1.26 -2.58 135.00 137.30 1cx1 s PRO 79 Ca 0.00 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 1cx1 s PRO 79 Cb 0.00 -3.83 0.10 0.00 0.04 0.00 0.00 34.50 30.82 1cx1 s PRO 79 CO 0.00 -0.89 1.21 0.14 0.04 0.00 0.00 177.00 177.49 1cx1 s VAL 80 N 3.93 2.00 -0.60 -0.36 -7.23 -0.18 -4.59 120.40 113.38 1cx1 s VAL 80 Ca 0.57 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 1cx1 s VAL 80 Cb -0.20 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.89 1cx1 s VAL 80 CO 0.19 0.00 0.39 -0.60 -0.31 0.00 0.00 175.10 174.77 1cx1 s ARG 81 N -5.64 2.40 0.15 4.82 3.52 -0.63 -2.73 118.95 120.84 1cx1 s ARG 81 Ca 0.64 -2.57 0.02 0.00 -0.13 0.00 0.00 55.73 53.69 1cx1 s ARG 81 Cb -0.10 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1cx1 s ARG 81 CO 0.50 -1.15 0.29 0.14 -0.81 0.00 0.00 175.30 174.27 1cx1 s VAL 82 N -0.14 5.31 0.17 7.11 -7.23 -1.18 -2.22 120.40 122.22 1cx1 s VAL 82 Ca 0.17 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 1cx1 s VAL 82 Cb -0.22 -3.73 0.03 0.00 0.56 0.00 0.00 36.38 33.02 1cx1 s VAL 82 CO -0.02 -0.08 0.46 -1.48 -0.31 0.00 0.00 175.10 173.67 1cx1 s LEU 83 N -3.16 0.26 0.13 1.32 2.34 -1.10 -1.60 118.68 116.87 1cx1 s LEU 83 Ca 0.35 -0.45 -0.16 0.00 0.06 0.00 0.00 54.13 53.93 1cx1 s LEU 83 Cb -0.11 1.95 0.03 0.00 -0.56 0.00 0.00 46.19 47.51 1cx1 s LEU 83 CO 0.28 -0.96 0.40 -0.69 -1.06 0.00 0.00 176.35 174.32 1cx1 s VAL 84 N -3.86 0.07 -2.23 1.48 1.01 -1.02 -2.92 120.40 112.94 1cx1 s VAL 84 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1cx1 s VAL 84 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1cx1 s VAL 84 CO -0.06 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1cx1 n GLY 85 N -0.22 -0.55 3.93 4.51 0.00 -1.10 -2.63 105.19 109.14 1cx1 n GLY 85 Ca -0.16 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.76 3.17 -0.19 1.61 -1.05 -1.26 -1.14 118.70 118.08 1cx1 s GLU 86 Ca 0.00 -0.19 0.15 0.00 -0.15 0.00 0.00 54.97 54.78 1cx1 s GLU 86 Cb 0.00 -2.45 0.45 0.00 -0.44 0.00 0.00 34.13 31.68 1cx1 s GLU 86 CO 0.00 -0.33 1.34 0.41 0.95 0.00 0.00 175.26 177.63 1cx1 n GLY 87 N -2.22 4.57 0.00 -3.83 0.00 -0.93 -4.62 105.19 98.16 1cx1 n GLY 87 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.97 3.61 5.00 -0.02 0.00 -1.26 -4.77 105.19 106.78 1cx1 n GLY 88 Ca 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1cx1 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 89 N 0.00 0.17 0.00 -0.02 0.00 0.17 -3.93 105.19 101.58 1cx1 n GLY 89 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 4.61 0.00 -1.26 -5.04 120.51 118.82 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 -0.42 0.00 -1.18 0.00 4.01 -1.25 -5.03 117.16 113.28 1cx1 n TYR 91 Ca 0.00 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.26 1cx1 n TYR 91 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 1cx1 n TYR 91 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1cx1 n ARG 92 N -0.04 0.00 -4.60 -0.72 5.12 -1.26 -4.77 116.66 110.40 1cx1 n ARG 92 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1cx1 n ARG 92 Cb 0.00 -1.10 -0.08 0.00 -1.16 0.00 0.00 32.46 30.11 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1cx1 s THR 93 N 2.87 0.92 0.00 0.55 -1.32 -1.26 -4.54 115.64 112.86 1cx1 s THR 93 Ca 0.81 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1cx1 s THR 93 Cb -1.10 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1cx1 s THR 93 CO 0.57 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.98 1cx1 n ALA 94 N -1.01 1.61 -0.51 11.08 0.00 -1.25 -4.68 120.51 125.76 1cx1 n ALA 94 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1cx1 n ALA 94 Cb 0.66 0.02 0.08 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.24 1.70 -2.03 0.00 -0.00 -1.08 -4.87 117.46 109.95 1cx1 n PHE 95 Ca 0.00 -1.58 -0.29 0.00 -0.00 0.00 0.00 57.45 55.58 1cx1 n PHE 95 Cb 0.04 -0.79 -0.05 0.00 -0.00 0.00 0.00 39.48 38.69 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1cx1 s GLU 96 N -1.90 2.55 -0.13 -4.13 -1.05 -1.26 -2.43 118.70 110.33 1cx1 s GLU 96 Ca 0.33 -0.07 -0.08 0.00 -0.15 0.00 0.00 54.97 55.00 1cx1 s GLU 96 Cb 0.27 -4.91 -0.04 0.00 -0.44 0.00 0.00 34.13 29.01 1cx1 s GLU 96 CO 0.03 -3.26 0.15 -0.65 0.95 0.00 0.00 175.26 172.48 1cx1 s GLN 97 N 7.06 3.62 0.00 -4.83 -0.21 -0.62 -4.95 119.66 119.73 1cx1 s GLN 97 Ca 0.70 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.95 1cx1 s GLN 97 Cb -0.08 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.69 1cx1 s GLN 97 CO 0.04 0.67 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 1cx1 n GLY 98 N 2.32 0.65 2.94 3.09 0.00 -1.26 -3.11 105.19 109.81 1cx1 n GLY 98 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.71 5.02 -0.69 1.61 0.01 -1.26 -4.60 113.70 113.08 1cx1 s SER 99 Ca 0.00 -3.81 0.02 0.00 1.31 0.00 0.00 55.95 53.47 1cx1 s SER 99 Cb 0.00 -1.69 0.17 0.00 0.21 0.00 0.00 66.02 64.71 1cx1 s SER 99 CO 0.00 -0.11 0.50 0.00 0.41 0.00 0.00 173.24 174.04 1cx1 s ALA 100 N -1.40 3.76 0.01 1.44 0.00 -1.11 -4.94 121.76 119.53 1cx1 s ALA 100 Ca 0.25 -3.60 -0.37 0.00 0.00 0.00 0.00 51.96 48.24 1cx1 s ALA 100 Cb -0.06 -2.43 -0.16 0.00 0.00 0.00 0.00 23.12 20.48 1cx1 s ALA 100 CO -0.15 -2.10 1.50 -2.30 0.00 0.00 0.00 175.76 172.71 1cx1 n PRO 101 N 2.61 1.41 -3.72 0.00 -0.02 -1.26 -1.01 135.00 133.01 1cx1 n PRO 101 Ca 0.14 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1cx1 n PRO 101 Cb 0.35 -2.20 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.43 0.35 0.00 2.45 1.43 -1.07 -4.88 118.68 118.39 1cx1 s LEU 102 Ca 0.87 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1cx1 s LEU 102 Cb -0.91 0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1cx1 s LEU 102 CO 0.49 -0.18 0.00 1.07 0.23 0.00 0.00 176.35 177.96 1cx1 n THR 103 N 4.55 0.00 0.32 5.49 5.66 -1.26 -2.07 114.28 126.96 1cx1 n THR 103 Ca -0.20 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1cx1 n THR 103 Cb 0.51 -1.40 0.22 0.00 -1.55 0.00 0.00 70.33 68.11 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 1.55 3.85 1.09 0.00 -0.14 0.25 105.19 116.80 1cx1 n GLY 104 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.62 3.14 -0.16 1.61 8.01 -1.26 -4.80 118.70 123.62 1cx1 s GLU 105 Ca 0.31 -0.67 -0.29 0.00 0.01 0.00 0.00 54.97 54.33 1cx1 s GLU 105 Cb 0.19 -2.83 -0.03 0.00 -4.31 0.00 0.00 34.13 27.16 1cx1 s GLU 105 CO 0.17 0.54 1.48 -1.25 0.01 0.00 0.00 175.26 176.21 1cx1 s PRO 106 N -2.85 4.08 -0.15 0.39 0.04 -1.26 -4.33 135.00 130.92 1cx1 s PRO 106 Ca 0.32 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1cx1 s PRO 106 Cb -0.11 -3.91 0.09 0.00 0.04 0.00 0.00 34.50 30.60 1cx1 s PRO 106 CO 0.25 -0.93 0.80 0.00 0.04 0.00 0.00 177.00 177.16 1cx1 s ALA 107 N 4.17 -1.83 -0.06 8.56 0.00 -1.26 -5.01 121.76 126.33 1cx1 s ALA 107 Ca 0.65 1.61 -0.19 0.00 0.00 0.00 0.00 51.96 54.02 1cx1 s ALA 107 Cb -0.26 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1cx1 s ALA 107 CO 0.24 -0.33 0.54 0.95 0.00 0.00 0.00 175.76 177.16 1cx1 s THR 108 N -0.63 5.05 -0.16 0.00 -4.23 -1.26 -2.87 115.64 111.54 1cx1 s THR 108 Ca -0.05 1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 61.51 1cx1 s THR 108 Cb -0.02 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1cx1 s THR 108 CO 0.04 0.38 0.10 -0.13 -0.54 0.00 0.00 174.62 174.46 1cx1 s ARG 109 N 0.17 3.76 -0.38 3.99 1.81 -1.03 -4.85 118.95 122.42 1cx1 s ARG 109 Ca 0.29 -0.25 -0.06 0.00 -1.72 0.00 0.00 55.73 53.99 1cx1 s ARG 109 Cb -0.17 -3.21 0.07 0.00 -0.45 0.00 0.00 34.95 31.19 1cx1 s ARG 109 CO 0.14 0.48 0.17 -1.21 -0.68 0.00 0.00 175.30 174.21 1cx1 s GLU 110 N -0.20 2.48 -0.19 3.54 2.02 -1.23 -2.97 118.70 122.15 1cx1 s GLU 110 Ca 0.09 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 1cx1 s GLU 110 Cb -0.12 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1cx1 s GLU 110 CO 0.01 -0.85 -0.02 0.71 0.02 0.00 0.00 175.26 175.12 1cx1 s TYR 111 N 1.34 3.00 0.25 1.61 2.02 -1.09 -4.85 117.35 119.64 1cx1 s TYR 111 Ca 0.02 -0.55 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1cx1 s TYR 111 Cb -0.22 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1cx1 s TYR 111 CO 0.01 -0.27 -0.07 0.00 -1.57 0.00 0.00 175.55 173.65 1cx1 s ALA 112 N 0.95 2.15 0.00 3.71 0.00 -1.26 -1.97 121.76 125.35 1cx1 s ALA 112 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1cx1 s ALA 112 Cb -0.14 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1cx1 s ALA 112 CO 0.01 -0.08 0.00 1.97 0.00 0.00 0.00 175.76 177.67 1cx1 n PHE 113 N -0.50 -0.54 -4.23 0.00 -1.74 -1.12 -4.95 117.46 104.38 1cx1 n PHE 113 Ca -0.06 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.56 1cx1 n PHE 113 Cb 0.63 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.54 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 -2.66 3.55 -1.25 1.97 -4.23 -1.26 -2.41 115.64 109.35 1cx1 s THR 114 Ca 0.00 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1cx1 s THR 114 Cb 0.00 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.19 1cx1 s THR 114 CO 0.00 -0.08 2.42 -0.24 -0.54 0.00 0.00 174.62 176.18 1cx1 n SER 115 N 0.02 7.92 -0.22 3.99 2.88 -1.20 -4.77 113.62 122.24 1cx1 n SER 115 Ca -0.10 -3.15 0.21 0.00 -1.33 0.00 0.00 58.87 54.50 1cx1 n SER 115 Cb 0.55 -1.35 0.38 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.65 0.21 -1.91 -3.46 4.05 -1.26 -0.81 115.26 113.73 1cx1 n ASN 116 Ca 0.61 1.13 0.00 0.00 0.45 0.00 0.00 54.58 56.78 1cx1 n ASN 116 Cb 0.27 -0.54 0.00 0.00 1.23 0.00 0.00 39.78 40.74 1cx1 n ASN 116 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1cx1 n LEU 117 N -4.57 0.00 -4.27 1.20 4.77 -1.26 -4.70 117.00 108.16 1cx1 n LEU 117 Ca 0.25 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 1cx1 n LEU 117 Cb 0.85 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 1cx1 n LEU 117 CO 0.00 -0.24 -0.43 0.42 -1.33 0.00 0.00 177.39 175.81 1cx1 s THR 118 N 0.07 1.36 -0.32 -5.08 -4.23 -1.26 -2.78 115.64 103.40 1cx1 s THR 118 Ca 0.00 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1cx1 s THR 118 Cb 0.00 -1.83 0.19 0.00 1.34 0.00 0.00 72.50 72.20 1cx1 s THR 118 CO 0.00 -0.64 0.79 -0.36 -0.54 0.00 0.00 174.62 173.87 1cx1 s PHE 119 N -2.97 -1.24 0.75 3.99 0.08 -0.39 -4.91 117.98 113.28 1cx1 s PHE 119 Ca 0.17 0.54 -0.12 0.00 0.12 0.00 0.00 56.93 57.64 1cx1 s PHE 119 Cb 0.00 0.22 0.04 0.00 -0.57 0.00 0.00 43.02 42.71 1cx1 s PHE 119 CO 0.03 -0.76 1.11 -1.25 -0.10 0.00 0.00 175.22 174.25 1cx1 s PRO 120 N 2.54 2.51 0.14 0.24 0.04 -1.26 -2.05 135.00 137.17 1cx1 s PRO 120 Ca 0.17 0.44 0.27 0.00 0.04 0.00 0.00 61.00 61.92 1cx1 s PRO 120 Cb -0.05 -1.98 0.96 0.00 0.04 0.00 0.00 34.50 33.47 1cx1 s PRO 120 CO -0.20 -1.28 1.82 -0.35 0.04 0.00 0.00 177.00 177.04 1cx1 n PRO 121 N -3.17 0.17 -0.17 0.56 -0.04 -1.26 -3.22 135.00 127.87 1cx1 n PRO 121 Ca 0.07 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1cx1 n PRO 121 Cb 0.58 -1.70 0.16 0.00 -0.04 0.00 0.00 33.50 32.49 1cx1 n PRO 121 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1cx1 n ASP 122 N -1.99 2.90 -4.94 3.54 9.92 -1.26 -4.74 116.55 119.97 1cx1 n ASP 122 Ca 0.06 -1.93 -0.20 0.00 -0.53 0.00 0.00 54.79 52.19 1cx1 n ASP 122 Cb 0.39 -0.22 0.05 0.00 -0.64 0.00 0.00 41.12 40.70 1cx1 n ASP 122 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1cx1 s GLY 123 N -1.01 1.82 0.00 0.44 0.00 -1.20 -4.92 107.32 102.45 1cx1 s GLY 123 Ca 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1cx1 s GLY 123 CO 0.18 -1.38 0.81 1.34 0.00 0.00 0.00 173.10 174.05 1cx1 n ASP 124 N -2.27 2.28 0.00 1.64 2.03 -1.26 -4.07 116.55 114.89 1cx1 n ASP 124 Ca 0.12 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 54.00 1cx1 n ASP 124 Cb 0.60 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cx1 n ALA 125 N 1.18 0.00 -1.02 -1.67 0.00 -1.26 0.44 120.51 118.18 1cx1 n ALA 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 125 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N 0.00 1.01 -1.51 0.00 -0.04 -1.23 -4.11 135.00 129.13 1cx1 n PRO 126 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1cx1 n PRO 126 Cb 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.54 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 -1.05 2.26 -0.12 0.55 0.00 -1.26 -2.18 107.32 105.53 1cx1 s GLY 127 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 44.72 45.36 1cx1 s GLY 127 CO 0.00 1.16 0.35 1.62 0.00 0.00 0.00 173.10 176.22 1cx1 s GLN 128 N -3.99 0.43 -0.04 2.90 -0.44 -0.29 -4.13 119.66 114.09 1cx1 s GLN 128 Ca 0.72 0.44 -0.07 0.00 -2.50 0.00 0.00 55.36 53.95 1cx1 s GLN 128 Cb -0.26 0.21 0.01 0.00 -1.64 0.00 0.00 33.01 31.32 1cx1 s GLN 128 CO 0.44 -0.06 0.16 0.08 0.50 0.00 0.00 175.29 176.41 1cx1 s VAL 129 N 0.07 0.03 -0.28 1.34 1.01 0.42 -2.70 120.40 120.31 1cx1 s VAL 129 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1cx1 s VAL 129 Cb -0.03 -0.33 0.15 0.00 0.00 0.00 0.00 36.38 36.18 1cx1 s VAL 129 CO 0.01 -0.16 0.56 0.00 0.00 0.00 0.00 175.10 175.51 1cx1 s ALA 130 N -0.53 -1.87 -0.93 5.51 0.00 -1.15 -2.15 121.76 120.64 1cx1 s ALA 130 Ca -0.06 1.81 -0.16 0.00 0.00 0.00 0.00 51.96 53.55 1cx1 s ALA 130 Cb -0.04 -1.86 0.18 0.00 0.00 0.00 0.00 23.12 21.40 1cx1 s ALA 130 CO 0.01 -1.12 1.01 -0.06 0.00 0.00 0.00 175.76 175.60 1cx1 s PHE 131 N 2.79 3.52 -0.13 0.00 0.40 -0.95 -2.71 117.98 120.90 1cx1 s PHE 131 Ca 0.09 -1.82 -0.08 0.00 -0.60 0.00 0.00 56.93 54.51 1cx1 s PHE 131 Cb -0.14 -4.06 -0.04 0.00 0.51 0.00 0.00 43.02 39.29 1cx1 s PHE 131 CO -0.18 -1.23 0.16 -1.01 0.70 0.00 0.00 175.22 173.65 1cx1 s HIS 132 N 1.21 3.57 -0.41 0.36 3.76 -0.94 -2.40 115.29 120.44 1cx1 s HIS 132 Ca 0.28 0.52 0.10 0.00 -0.15 0.00 0.00 55.06 55.81 1cx1 s HIS 132 Cb -0.07 -2.02 0.41 0.00 1.11 0.00 0.00 32.58 32.01 1cx1 s HIS 132 CO -0.08 0.63 0.99 1.28 -0.85 0.00 0.00 174.74 176.70 1cx1 n LEU 133 N 2.33 3.08 -4.66 0.89 4.32 -0.75 -1.60 117.00 120.61 1cx1 n LEU 133 Ca -0.19 -4.73 -0.65 0.00 -0.02 0.00 0.00 56.01 50.43 1cx1 n LEU 133 Cb 0.54 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.23 1cx1 n LEU 133 CO 0.33 2.02 0.93 0.61 -1.22 0.00 0.00 177.39 180.07 1cx1 n GLY 134 N -0.21 0.02 2.45 -0.72 0.00 -1.25 -4.79 105.19 100.68 1cx1 n GLY 134 Ca 0.26 0.92 -0.03 0.00 0.00 0.00 0.00 46.02 47.16 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 3.07 0.81 -1.02 1.61 4.01 -1.26 -4.91 118.16 120.46 1cx1 n LYS 135 Ca 0.27 -1.03 -0.01 0.00 -0.51 0.00 0.00 58.31 57.03 1cx1 n LYS 135 Cb -0.01 0.13 -0.00 0.00 -0.51 0.00 0.00 35.03 34.64 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cx1 n ALA 136 N -0.78 -0.02 -2.06 7.82 0.00 -1.26 0.48 120.51 124.70 1cx1 n ALA 136 Ca -0.13 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1cx1 n ALA 136 Cb 0.75 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1cx1 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 137 N -0.02 0.14 2.52 0.00 0.00 -1.26 -2.62 105.19 103.94 1cx1 n GLY 137 Ca -0.01 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.08 6.62 -3.00 4.61 0.00 1.77 -2.34 120.51 127.10 1cx1 n ALA 138 Ca -0.12 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1cx1 n ALA 138 Cb 0.56 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 1.20 0.00 -3.47 0.00 4.11 -0.87 -4.60 117.16 113.53 1cx1 n TYR 139 Ca 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.33 1cx1 n TYR 139 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.65 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 1.63 1.20 -0.27 -3.48 2.02 0.12 -2.37 118.70 117.56 1cx1 s GLU 140 Ca 0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 1cx1 s GLU 140 Cb 0.00 0.55 0.09 0.00 0.10 0.00 0.00 34.13 34.87 1cx1 s GLU 140 CO 0.00 -0.48 0.09 0.12 0.02 0.00 0.00 175.26 175.00 1cx1 s PHE 141 N -3.08 1.07 -0.35 1.61 5.36 -1.17 -2.67 117.98 118.74 1cx1 s PHE 141 Ca -0.02 -1.19 -0.09 0.00 -0.96 0.00 0.00 56.93 54.66 1cx1 s PHE 141 Cb -0.01 -1.25 0.03 0.00 -0.34 0.00 0.00 43.02 41.45 1cx1 s PHE 141 CO -0.07 -0.78 0.16 0.00 -1.46 0.00 0.00 175.22 173.08 1cx1 s ILE 143 N 1.50 0.18 0.00 0.00 -1.16 -0.79 -2.18 121.20 118.74 1cx1 s ILE 143 Ca 0.01 -0.61 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1cx1 s ILE 143 Cb -0.19 -0.25 0.00 0.00 0.61 0.00 0.00 42.46 42.63 1cx1 s ILE 143 CO 0.05 -0.28 0.05 -1.54 -2.81 0.00 0.00 174.94 170.41 1cx1 n SER 144 N 2.13 0.10 -3.97 4.50 3.41 -1.21 -2.45 113.62 116.13 1cx1 n SER 144 Ca -0.19 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 1cx1 n SER 144 Cb 0.57 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.08 0.38 -0.30 4.33 -0.21 -1.26 -2.24 119.66 120.28 1cx1 s GLN 145 Ca 0.00 -0.65 -0.13 0.00 0.02 0.00 0.00 55.36 54.60 1cx1 s GLN 145 Cb 0.00 0.14 0.13 0.00 1.00 0.00 0.00 33.01 34.28 1cx1 s GLN 145 CO 0.00 -0.07 0.76 0.54 -2.12 0.00 0.00 175.29 174.40 1cx1 s VAL 146 N -1.76 -0.60 -0.11 1.09 0.11 -1.26 -1.10 120.40 116.77 1cx1 s VAL 146 Ca -0.13 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1cx1 s VAL 146 Cb -0.07 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1cx1 s VAL 146 CO -0.02 0.00 0.29 -0.55 -3.33 0.00 0.00 175.10 171.49 1cx1 s SER 147 N 2.41 -0.30 0.10 3.54 0.15 -1.17 -4.30 113.70 114.13 1cx1 s SER 147 Ca -0.06 0.58 0.07 0.00 0.70 0.00 0.00 55.95 57.24 1cx1 s SER 147 Cb -0.09 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1cx1 s SER 147 CO -0.18 -0.10 -0.11 -1.48 1.20 0.00 0.00 173.24 172.57 1cx1 s LEU 148 N 0.19 3.01 0.00 3.45 0.05 -1.26 -1.50 118.68 122.61 1cx1 s LEU 148 Ca -0.00 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 53.79 1cx1 s LEU 148 Cb -0.02 -1.80 0.00 0.00 -2.05 0.00 0.00 46.19 42.32 1cx1 s LEU 148 CO 0.00 0.19 0.00 1.07 -0.55 0.00 0.00 176.35 177.06 1cx1 n THR 149 N 0.78 0.00 0.00 5.48 5.66 -1.12 -3.72 114.28 121.37 1cx1 n THR 149 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1cx1 n THR 149 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1cx1 n THR 149 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1cx1 n THR 150 N 0.00 0.00 -1.26 1.09 5.66 -1.26 -0.89 114.28 117.62 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 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 151 N -0.99 -1.27 -0.13 1.09 3.41 -1.26 -4.32 113.62 110.15 1cx1 n SER 151 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1cx1 n SER 151 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 n ALA 152 N 0.39 2.24 0.27 7.33 0.00 -1.26 -4.80 120.51 124.69 1cx1 n ALA 152 Ca 0.00 -2.42 0.03 0.00 0.00 0.00 0.00 53.44 51.05 1cx1 n ALA 152 Cb 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91