#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 -4.38 0.00 7.64 -1.26 -5.00 113.62 110.62 1cx1 n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1cx1 n SER 2 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cx1 s LEU 3 N 0.00 1.95 -0.40 -3.43 2.01 -1.26 -4.80 118.68 112.75 1cx1 s LEU 3 Ca 0.00 0.67 -0.37 0.00 0.01 0.00 0.00 54.13 54.45 1cx1 s LEU 3 Cb 0.00 -2.79 -0.16 0.00 0.01 0.00 0.00 46.19 43.25 1cx1 s LEU 3 CO 0.00 -2.92 1.47 -0.67 1.01 0.00 0.00 176.35 175.23 1cx1 n ASP 4 N -3.97 0.81 -2.58 2.29 2.03 -1.26 -3.18 116.55 110.69 1cx1 n ASP 4 Ca 0.11 0.77 -0.05 0.00 0.52 0.00 0.00 54.79 56.14 1cx1 n ASP 4 Cb 0.59 -0.71 -0.04 0.00 -0.72 0.00 0.00 41.12 40.24 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1cx1 n SER 5 N 4.42 -1.75 -4.02 1.67 3.41 -1.26 -4.86 113.62 111.22 1cx1 n SER 5 Ca 0.33 1.42 -0.38 0.00 -0.26 0.00 0.00 58.87 59.98 1cx1 n SER 5 Cb -0.04 -5.14 0.04 0.00 -0.26 0.00 0.00 64.21 58.81 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cx1 n GLU 6 N 1.78 -0.08 -2.37 4.33 4.71 -1.19 -4.83 120.64 122.99 1cx1 n GLU 6 Ca -0.36 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.41 1cx1 n GLU 6 Cb 0.56 -1.04 0.02 0.00 -1.01 0.00 0.00 31.44 29.96 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1cx1 n VAL 7 N -3.37 3.95 -1.36 2.62 0.31 -1.26 -5.00 118.33 114.22 1cx1 n VAL 7 Ca -0.02 -5.06 -0.53 0.00 -0.01 0.00 0.00 64.34 58.72 1cx1 n VAL 7 Cb 0.72 -1.35 -0.08 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.36 0.00 0.00 5.55 4.07 -1.26 -4.46 120.64 124.18 1cx1 n GLU 8 Ca 0.46 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.45 1cx1 n GLU 8 Cb 0.35 -1.19 -0.14 0.00 -0.06 0.00 0.00 31.44 30.40 1cx1 n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1cx1 h LEU 9 N 4.16 0.10 -8.64 4.31 3.38 -1.86 -3.45 115.31 113.31 1cx1 h LEU 9 Ca -0.33 -0.19 -0.65 0.00 0.09 0.00 0.00 57.88 56.80 1cx1 h LEU 9 Cb 1.09 -0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.54 1cx1 h LEU 9 CO 0.78 1.16 -0.75 -0.22 0.09 0.00 0.00 178.44 179.50 1cx1 s LEU 10 N -6.40 2.78 -0.56 1.67 0.20 -1.26 -5.01 118.68 110.11 1cx1 s LEU 10 Ca -0.07 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.41 1cx1 s LEU 10 Cb 0.08 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 1cx1 s LEU 10 CO 0.82 0.16 1.72 -0.81 -0.29 0.00 0.00 176.35 177.95 1cx1 n PRO 11 N 3.53 1.32 -3.60 0.98 -0.04 -1.26 -4.70 135.00 131.23 1cx1 n PRO 11 Ca -0.18 -1.07 -0.03 0.00 -0.04 0.00 0.00 63.50 62.18 1cx1 n PRO 11 Cb 0.53 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cx1 s HIS 12 N 3.85 -0.85 -0.39 0.54 5.04 -1.26 -5.09 115.29 117.13 1cx1 s HIS 12 Ca 0.26 1.61 0.01 0.00 -1.54 0.00 0.00 55.06 55.40 1cx1 s HIS 12 Cb 0.07 0.51 0.26 0.00 0.04 0.00 0.00 32.58 33.46 1cx1 s HIS 12 CO -0.02 -0.42 1.10 -2.37 -2.34 0.00 0.00 174.74 170.68 1cx1 n THR 13 N 4.38 0.00 -2.84 0.89 5.66 -1.26 -4.68 114.28 116.43 1cx1 n THR 13 Ca -0.16 -0.96 -0.03 0.00 -3.05 0.00 0.00 64.05 59.85 1cx1 n THR 13 Cb 0.56 1.22 0.01 0.00 -1.55 0.00 0.00 70.33 70.56 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1cx1 s SER 14 N -0.73 -1.37 -0.17 1.09 0.15 -1.26 -4.64 113.70 106.76 1cx1 s SER 14 Ca 0.28 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.54 1cx1 s SER 14 Cb 0.21 1.79 0.38 0.00 -1.71 0.00 0.00 66.02 66.69 1cx1 s SER 14 CO -0.14 -0.07 1.30 0.49 1.20 0.00 0.00 173.24 176.01 1cx1 n PHE 15 N 3.21 1.31 0.02 3.44 3.01 0.41 -3.94 117.46 124.91 1cx1 n PHE 15 Ca 0.16 -0.76 -0.16 0.00 1.01 0.00 0.00 57.45 57.70 1cx1 n PHE 15 Cb 0.57 -0.45 -0.14 0.00 -0.01 0.00 0.00 39.48 39.45 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 h ALA 16 N 2.29 0.50 0.00 4.37 0.00 -1.58 -3.20 119.26 121.63 1cx1 h ALA 16 Ca 0.16 -1.32 -0.24 0.00 0.00 0.00 0.00 54.91 53.50 1cx1 h ALA 16 Cb 1.59 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1cx1 h ALA 16 CO 0.40 1.35 -1.80 0.39 0.00 0.00 0.00 179.25 179.59 1cx1 n GLU 17 N -3.33 0.31 -4.08 0.00 -0.58 -1.26 -3.86 120.64 107.85 1cx1 n GLU 17 Ca -0.22 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.53 1cx1 n GLU 17 Cb 1.05 -1.02 -0.11 0.00 -0.57 0.00 0.00 31.44 30.78 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cx1 s SER 18 N -6.25 0.85 -0.10 1.62 1.04 -1.25 -4.85 113.70 104.76 1cx1 s SER 18 Ca -0.20 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1cx1 s SER 18 Cb 0.08 0.06 0.18 0.00 0.10 0.00 0.00 66.02 66.43 1cx1 s SER 18 CO 0.26 -0.27 1.11 0.00 0.98 0.00 0.00 173.24 175.32 1cx1 n LEU 19 N 1.17 3.42 0.00 2.42 -0.00 -1.26 -4.08 117.00 118.68 1cx1 n LEU 19 Ca -0.21 -1.76 0.00 0.00 -0.00 0.00 0.00 56.01 54.05 1cx1 n LEU 19 Cb 0.56 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1cx1 n LEU 19 CO 0.22 0.55 0.00 0.61 -0.00 0.00 0.00 177.39 178.77 1cx1 n GLY 20 N 0.11 0.84 0.07 1.47 0.00 -1.26 -1.66 105.19 104.76 1cx1 n GLY 20 Ca 0.13 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 1.09 -1.23 1.61 -0.04 -1.26 -4.89 135.00 130.28 1cx1 n PRO 21 Ca 0.00 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 1cx1 n PRO 21 Cb 0.00 -1.05 0.19 0.00 -0.04 0.00 0.00 33.50 32.59 1cx1 n PRO 21 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cx1 s TRP 22 N -1.95 1.74 0.53 0.54 0.52 -0.66 -4.89 118.94 114.76 1cx1 s TRP 22 Ca 0.05 0.81 0.05 0.00 0.02 0.00 0.00 56.10 57.03 1cx1 s TRP 22 Cb 0.02 -3.36 0.03 0.00 -1.15 0.00 0.00 33.47 29.01 1cx1 s TRP 22 CO 0.04 -3.09 0.35 -1.12 0.02 0.00 0.00 176.95 173.15 1cx1 s SER 23 N -3.70 4.59 -0.30 2.95 0.01 0.57 -4.93 113.70 112.89 1cx1 s SER 23 Ca 0.67 -1.25 -0.18 0.00 1.31 0.00 0.00 55.95 56.49 1cx1 s SER 23 Cb -0.15 0.33 0.20 0.00 0.21 0.00 0.00 66.02 66.60 1cx1 s SER 23 CO 0.56 -1.03 1.27 -1.48 0.41 0.00 0.00 173.24 172.98 1cx1 s LEU 24 N -4.21 -0.08 -0.06 2.44 0.05 -1.26 -2.92 118.68 112.63 1cx1 s LEU 24 Ca 0.32 0.12 -0.32 0.00 0.05 0.00 0.00 54.13 54.30 1cx1 s LEU 24 Cb -0.02 1.10 0.13 0.00 -2.05 0.00 0.00 46.19 45.36 1cx1 s LEU 24 CO 0.20 -0.02 1.34 -0.72 -0.55 0.00 0.00 176.35 176.60 1cx1 s TYR 25 N 1.76 -0.03 0.00 3.48 1.13 -1.19 -4.99 117.35 117.51 1cx1 s TYR 25 Ca -0.02 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.61 1cx1 s TYR 25 Cb -0.01 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 1cx1 s TYR 25 CO -0.14 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.14 1cx1 n GLY 26 N -0.46 3.10 0.00 5.49 0.00 -1.26 -2.90 105.19 109.16 1cx1 n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N -0.69 0.00 -3.30 2.61 5.66 -1.26 -4.41 114.28 112.88 1cx1 n THR 27 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1cx1 n THR 27 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1cx1 n THR 27 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cx1 s SER 28 N -0.01 6.78 -0.77 1.09 1.04 -1.25 -4.92 113.70 115.66 1cx1 s SER 28 Ca 0.00 0.93 -0.28 0.00 0.48 0.00 0.00 55.95 57.08 1cx1 s SER 28 Cb 0.00 -2.30 -0.18 0.00 0.10 0.00 0.00 66.02 63.63 1cx1 s SER 28 CO 0.00 0.07 2.19 -1.84 0.98 0.00 0.00 173.24 174.64 1cx1 n GLU 29 N 3.20 0.00 -0.92 4.02 0.28 -1.26 -4.49 120.64 121.47 1cx1 n GLU 29 Ca -0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.58 1cx1 n GLU 29 Cb 0.52 -1.26 0.09 0.00 1.43 0.00 0.00 31.44 32.21 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1cx1 n PRO 30 N 7.01 -0.13 -3.53 3.44 -0.02 -1.26 -4.95 135.00 135.56 1cx1 n PRO 30 Ca 0.54 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1cx1 n PRO 30 Cb 0.01 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.21 -0.46 -1.23 -1.45 1.01 -1.12 -4.93 120.40 110.01 1cx1 s VAL 31 Ca 0.53 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 1cx1 s VAL 31 Cb -0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1cx1 s VAL 31 CO 0.71 -0.05 1.86 2.22 0.00 0.00 0.00 175.10 179.85 1cx1 n PHE 32 N 5.35 3.49 0.00 5.22 1.16 -1.25 -3.00 117.46 128.43 1cx1 n PHE 32 Ca -0.05 -2.05 0.00 0.00 -1.87 0.00 0.00 57.45 53.47 1cx1 n PHE 32 Cb 0.50 -2.60 0.00 0.00 -1.61 0.00 0.00 39.48 35.76 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 11.64 0.00 -0.03 1.98 0.00 0.12 -4.59 120.51 129.63 1cx1 n ALA 33 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1cx1 n ALA 33 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -1.76 0.00 8.00 -1.26 -4.00 116.55 117.52 1cx1 n ASP 34 Ca 0.00 0.77 -0.00 0.00 0.71 0.00 0.00 54.79 56.26 1cx1 n ASP 34 Cb 0.00 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cx1 n GLY 35 N -1.00 1.14 3.34 0.44 0.00 -1.26 -4.87 105.19 102.98 1cx1 n GLY 35 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.70 0.83 -0.14 1.61 1.70 -1.25 -3.90 118.95 117.10 1cx1 s ARG 36 Ca 0.20 -0.07 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 1cx1 s ARG 36 Cb 0.28 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1cx1 s ARG 36 CO -0.09 -0.25 -0.04 1.41 -1.08 0.00 0.00 175.30 175.25 1cx1 s MET 37 N -1.43 3.49 0.19 3.89 -2.45 0.40 0.10 119.30 123.49 1cx1 s MET 37 Ca -0.12 -0.51 0.09 0.00 -1.25 0.00 0.00 55.69 53.90 1cx1 s MET 37 Cb -0.03 -2.86 -0.04 0.00 1.25 0.00 0.00 34.83 33.15 1cx1 s MET 37 CO 0.05 0.34 -0.19 0.00 1.05 0.00 0.00 175.02 176.28 1cx1 s VAL 39 N -2.17 0.84 -0.41 0.00 -7.23 -0.95 -2.80 120.40 107.68 1cx1 s VAL 39 Ca 0.19 -0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 1cx1 s VAL 39 Cb -0.05 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1cx1 s VAL 39 CO 0.08 0.29 1.50 -1.81 -0.31 0.00 0.00 175.10 174.85 1cx1 s ASP 40 N 0.81 6.21 -0.28 4.85 1.11 -1.26 -3.08 116.67 125.03 1cx1 s ASP 40 Ca -0.13 0.86 0.08 0.00 0.18 0.00 0.00 52.55 53.55 1cx1 s ASP 40 Cb -0.15 -2.54 0.45 0.00 1.07 0.00 0.00 42.92 41.75 1cx1 s ASP 40 CO 0.02 -1.53 1.28 0.18 1.18 0.00 0.00 175.17 176.29 1cx1 n LEU 41 N 9.25 4.13 0.14 1.23 7.99 0.53 -3.92 117.00 136.35 1cx1 n LEU 41 Ca 0.17 -4.30 0.04 0.00 -0.01 0.00 0.00 56.01 51.92 1cx1 n LEU 41 Cb 0.48 -0.48 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1cx1 n LEU 41 CO 0.70 1.72 0.40 1.55 -1.51 0.00 0.00 177.39 180.25 1cx1 h PRO 42 N 1.58 0.00 0.00 3.23 0.13 -1.60 0.73 132.00 136.07 1cx1 h PRO 42 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1cx1 h PRO 42 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1cx1 h PRO 42 CO 0.47 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 1cx1 n GLY 43 N 1.22 0.00 0.00 1.56 0.00 -1.26 -4.86 105.19 101.85 1cx1 n GLY 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1cx1 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 44 N 0.00 -0.67 3.49 -0.02 0.00 -1.26 -5.05 105.19 101.67 1cx1 n GLY 44 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 3.17 -0.86 1.61 -0.21 -1.26 -4.56 119.66 117.55 1cx1 s GLN 45 Ca 0.00 -0.86 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 1cx1 s GLN 45 Cb 0.00 -3.92 -0.13 0.00 1.00 0.00 0.00 33.01 29.96 1cx1 s GLN 45 CO 0.00 -0.65 3.16 0.41 -2.12 0.00 0.00 175.29 176.10 1cx1 n GLY 46 N 5.13 3.85 3.10 3.09 0.00 -1.26 0.45 105.19 119.55 1cx1 n GLY 46 Ca -0.11 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.48 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 1.80 -1.05 0.32 1.61 2.20 -1.26 -4.80 114.94 113.76 1cx1 s ASN 47 Ca 0.67 -0.11 0.09 0.00 -0.94 0.00 0.00 52.86 52.57 1cx1 s ASN 47 Cb 0.25 1.54 0.89 0.00 -2.00 0.00 0.00 41.25 41.94 1cx1 s ASN 47 CO -0.05 -0.17 1.71 -0.65 -2.94 0.00 0.00 177.10 175.00 1cx1 h PRO 48 N 7.17 0.49 -2.87 3.55 0.11 -1.80 -2.93 132.00 135.72 1cx1 h PRO 48 Ca -0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1cx1 h PRO 48 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1cx1 h PRO 48 CO 0.03 0.33 0.39 -2.67 -0.21 0.00 0.00 178.00 175.87 1cx1 n TRP 49 N -4.94 0.01 0.09 0.65 2.14 -1.26 -3.12 117.44 111.01 1cx1 n TRP 49 Ca 0.27 -0.23 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1cx1 n TRP 49 Cb 0.77 -0.58 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 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 2.96 0.19 -4.32 -0.67 9.92 -1.11 -5.10 116.55 118.43 1cx1 n ASP 50 Ca 0.06 0.29 -0.28 0.00 -0.53 0.00 0.00 54.79 54.34 1cx1 n ASP 50 Cb 0.13 0.13 -0.14 0.00 -0.64 0.00 0.00 41.12 40.60 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 -2.00 2.07 0.00 2.24 0.00 -1.18 -4.20 121.76 118.68 1cx1 s ALA 51 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1cx1 s ALA 51 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1cx1 s ALA 51 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1cx1 n GLY 52 N 1.54 0.20 3.99 0.00 0.00 -1.14 -2.99 105.19 106.79 1cx1 n GLY 52 Ca -0.18 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.48 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cx1 s LEU 53 N 0.00 3.78 0.06 0.99 2.01 -1.04 -3.14 118.68 121.33 1cx1 s LEU 53 Ca 0.00 -0.34 -0.19 0.00 0.01 0.00 0.00 54.13 53.61 1cx1 s LEU 53 Cb 0.00 -2.67 0.04 0.00 0.01 0.00 0.00 46.19 43.57 1cx1 s LEU 53 CO 0.00 -0.61 0.45 -0.69 1.01 0.00 0.00 176.35 176.51 1cx1 s VAL 54 N -2.28 0.05 -0.27 -1.59 1.01 -1.15 -1.33 120.40 114.83 1cx1 s VAL 54 Ca 0.50 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1cx1 s VAL 54 Cb -0.09 -0.98 0.19 0.00 0.00 0.00 0.00 36.38 35.49 1cx1 s VAL 54 CO 0.32 -0.21 1.33 -0.47 0.00 0.00 0.00 175.10 176.06 1cx1 s TYR 55 N -2.63 -0.08 0.39 5.22 5.04 -0.85 0.21 117.35 124.65 1cx1 s TYR 55 Ca -0.04 0.14 0.07 0.00 -2.44 0.00 0.00 57.07 54.80 1cx1 s TYR 55 Cb -0.00 0.49 -0.00 0.00 0.35 0.00 0.00 41.96 42.79 1cx1 s TYR 55 CO -0.03 -0.07 0.48 -0.80 -1.34 0.00 0.00 175.55 173.80 1cx1 s ASN 56 N -0.91 5.62 0.00 4.32 0.02 -1.26 -1.66 114.94 121.07 1cx1 s ASN 56 Ca 0.08 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.51 1cx1 s ASN 56 Cb -0.01 -0.84 0.00 0.00 0.02 0.00 0.00 41.25 40.41 1cx1 s ASN 56 CO -0.08 -0.61 0.00 0.61 0.02 0.00 0.00 177.10 177.04 1cx1 n GLY 57 N -1.70 0.58 2.72 0.66 0.00 -1.17 -4.81 105.19 101.47 1cx1 n GLY 57 Ca 0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 -1.42 1.61 0.24 -1.26 -4.79 118.33 112.71 1cx1 n VAL 58 Ca 0.00 -1.34 -0.38 0.00 -2.04 0.00 0.00 64.34 60.58 1cx1 n VAL 58 Cb 0.00 1.41 0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.36 0.40 -3.68 7.34 -0.02 -1.26 -4.71 135.00 133.43 1cx1 n PRO 59 Ca 0.03 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1cx1 n PRO 59 Cb 0.71 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.51 1cx1 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 60 N -1.77 -0.27 -0.72 -1.45 1.01 -1.14 -4.96 120.40 111.10 1cx1 s VAL 60 Ca 0.66 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1cx1 s VAL 60 Cb -0.46 -0.34 0.15 0.00 0.00 0.00 0.00 36.38 35.73 1cx1 s VAL 60 CO 0.57 0.13 0.75 -0.83 0.00 0.00 0.00 175.10 175.72 1cx1 s GLY 61 N 2.14 2.18 -0.46 4.51 0.00 -1.26 -0.89 107.32 113.54 1cx1 s GLY 61 Ca 0.00 -2.77 -0.43 0.00 0.00 0.00 0.00 44.72 41.53 1cx1 s GLY 61 CO -0.07 1.46 1.61 -2.21 0.00 0.00 0.00 173.10 173.89 1cx1 n GLU 62 N 5.31 0.00 0.00 2.90 2.13 -1.26 -1.34 120.64 128.39 1cx1 n GLU 62 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1cx1 n GLU 62 Cb 0.45 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cx1 n GLY 63 N 4.53 2.55 4.02 8.31 0.00 0.45 -4.85 105.19 120.20 1cx1 n GLY 63 Ca 0.34 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 2.68 -0.07 1.61 2.02 -0.45 -4.70 118.70 119.80 1cx1 s GLU 64 Ca 0.00 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.67 1cx1 s GLU 64 Cb 0.00 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1cx1 s GLU 64 CO 0.00 -0.44 -0.13 -1.12 0.02 0.00 0.00 175.26 173.59 1cx1 s SER 65 N -4.44 4.08 0.51 -0.19 0.01 -1.26 0.91 113.70 113.33 1cx1 s SER 65 Ca 0.57 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.68 1cx1 s SER 65 Cb -0.09 -1.06 0.06 0.00 0.21 0.00 0.00 66.02 65.14 1cx1 s SER 65 CO 0.35 0.30 0.52 -1.22 0.41 0.00 0.00 173.24 173.60 1cx1 n TYR 66 N 2.60 -1.38 -3.74 2.43 4.02 -1.03 -4.88 117.16 115.18 1cx1 n TYR 66 Ca -0.17 -2.03 -0.13 0.00 -0.01 0.00 0.00 57.90 55.55 1cx1 n TYR 66 Cb 0.52 -0.45 -0.10 0.00 -0.02 0.00 0.00 39.34 39.30 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 -2.39 0.00 -0.19 -0.72 1.01 -1.00 -2.90 120.40 114.21 1cx1 s VAL 67 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1cx1 s VAL 67 Cb -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1cx1 s VAL 67 CO 0.25 -0.01 -0.14 -0.22 0.00 0.00 0.00 175.10 174.98 1cx1 s LEU 68 N 0.15 2.44 -0.68 3.92 2.96 -1.09 -1.18 118.68 125.20 1cx1 s LEU 68 Ca -0.00 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 1cx1 s LEU 68 Cb -0.03 -1.58 0.18 0.00 0.50 0.00 0.00 46.19 45.26 1cx1 s LEU 68 CO 0.01 -0.00 0.53 -0.55 -1.32 0.00 0.00 176.35 175.01 1cx1 s SER 69 N 1.32 5.58 -0.04 3.68 0.15 -0.15 -2.45 113.70 121.79 1cx1 s SER 69 Ca 0.05 -2.86 -0.15 0.00 0.70 0.00 0.00 55.95 53.68 1cx1 s SER 69 Cb -0.14 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.19 1cx1 s SER 69 CO -0.08 -0.40 0.41 0.72 1.20 0.00 0.00 173.24 175.08 1cx1 s PHE 70 N -0.08 3.66 -0.49 3.44 -0.71 -1.14 -2.85 117.98 119.81 1cx1 s PHE 70 Ca 0.18 0.93 -0.17 0.00 -1.04 0.00 0.00 56.93 56.82 1cx1 s PHE 70 Cb -0.18 -2.34 0.06 0.00 -1.21 0.00 0.00 43.02 39.36 1cx1 s PHE 70 CO -0.05 0.51 0.51 0.95 -1.34 0.00 0.00 175.22 175.80 1cx1 s THR 71 N -0.59 5.05 -0.01 -4.49 -4.23 -0.22 -2.19 115.64 108.96 1cx1 s THR 71 Ca 0.23 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.69 1cx1 s THR 71 Cb -0.16 -4.20 0.12 0.00 1.34 0.00 0.00 72.50 69.60 1cx1 s THR 71 CO 0.12 -0.68 1.28 0.00 -0.54 0.00 0.00 174.62 174.80 1cx1 s ALA 72 N 2.14 -2.22 0.07 3.99 0.00 -1.15 -2.18 121.76 122.41 1cx1 s ALA 72 Ca 0.10 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1cx1 s ALA 72 Cb -0.21 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1cx1 s ALA 72 CO 0.10 -1.05 0.08 -1.54 0.00 0.00 0.00 175.76 173.35 1cx1 s SER 73 N -2.97 0.30 -0.12 0.00 1.04 -1.11 -3.86 113.70 106.98 1cx1 s SER 73 Ca 0.14 -0.82 -0.06 0.00 0.48 0.00 0.00 55.95 55.70 1cx1 s SER 73 Cb 0.05 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1cx1 s SER 73 CO -0.04 -0.66 0.08 0.00 0.98 0.00 0.00 173.24 173.61 1cx1 s ALA 74 N -3.85 3.59 -0.15 5.32 0.00 -0.97 -3.09 121.76 122.62 1cx1 s ALA 74 Ca 0.06 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1cx1 s ALA 74 Cb 0.06 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 21.43 1cx1 s ALA 74 CO -0.10 0.50 0.12 0.95 0.00 0.00 0.00 175.76 177.23 1cx1 s THR 75 N -0.65 -0.16 0.00 0.00 -4.23 -0.92 -3.36 115.64 106.32 1cx1 s THR 75 Ca 0.12 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1cx1 s THR 75 Cb -0.12 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1cx1 s THR 75 CO 0.02 -0.15 0.00 -2.65 -0.54 0.00 0.00 174.62 171.30 1cx1 n PRO 76 N 5.30 3.02 -4.04 3.99 -0.02 -1.26 -1.80 135.00 140.19 1cx1 n PRO 76 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 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 -1.81 5.61 0.00 2.55 1.01 -1.26 -4.67 116.67 118.11 1cx1 s ASP 77 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1cx1 s ASP 77 Cb 0.00 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1cx1 s ASP 77 CO 0.00 0.15 0.00 0.23 0.21 0.00 0.00 175.17 175.76 1cx1 n MET 78 N 0.27 0.00 -2.74 8.23 2.81 -0.81 -5.02 117.12 119.86 1cx1 n MET 78 Ca -0.08 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.50 1cx1 n MET 78 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 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 -2.00 3.88 0.00 0.03 0.04 -1.26 -2.80 135.00 132.89 1cx1 s PRO 79 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1cx1 s PRO 79 Cb 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1cx1 s PRO 79 CO 0.00 -0.09 0.00 1.33 0.04 0.00 0.00 177.00 178.28 1cx1 n VAL 80 N -1.25 0.00 -4.10 -0.36 0.24 0.65 -4.92 118.33 108.59 1cx1 n VAL 80 Ca 0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1cx1 n VAL 80 Cb 0.54 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.77 1cx1 n VAL 80 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cx1 s ARG 81 N -1.05 0.38 0.02 7.34 3.52 0.16 -3.00 118.95 126.32 1cx1 s ARG 81 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1cx1 s ARG 81 Cb 0.00 -0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.05 1cx1 s ARG 81 CO 0.00 0.08 -0.03 0.54 -0.81 0.00 0.00 175.30 175.09 1cx1 s VAL 82 N -0.31 0.11 0.01 7.11 0.11 -1.24 0.58 120.40 126.77 1cx1 s VAL 82 Ca -0.00 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1cx1 s VAL 82 Cb -0.03 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1cx1 s VAL 82 CO -0.00 -0.47 0.07 -1.48 -3.33 0.00 0.00 175.10 169.89 1cx1 s LEU 83 N -1.38 1.82 -0.07 2.54 0.05 -1.13 -3.03 118.68 117.48 1cx1 s LEU 83 Ca -0.15 -0.29 -0.16 0.00 0.05 0.00 0.00 54.13 53.58 1cx1 s LEU 83 Cb -0.09 0.43 0.03 0.00 -2.05 0.00 0.00 46.19 44.51 1cx1 s LEU 83 CO -0.01 -0.32 0.39 -0.69 -0.55 0.00 0.00 176.35 175.17 1cx1 s VAL 84 N -1.31 0.03 -0.71 1.48 1.01 -1.03 -1.88 120.40 117.99 1cx1 s VAL 84 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1cx1 s VAL 84 Cb -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1cx1 s VAL 84 CO 0.01 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1cx1 n GLY 85 N 1.85 -0.65 0.00 4.51 0.00 -0.60 -2.67 105.19 107.63 1cx1 n GLY 85 Ca -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.19 -2.70 1.61 0.28 -1.26 -0.44 120.64 120.33 1cx1 n GLU 86 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1cx1 n GLU 86 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cx1 n GLY 87 N 5.00 1.41 0.00 -1.84 0.00 -1.25 -4.37 105.19 104.13 1cx1 n GLY 87 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.37 4.54 1.89 -0.02 0.00 -1.26 -4.79 105.19 105.19 1cx1 n GLY 88 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.57 0.83 0.62 -0.02 0.00 -1.26 -4.21 105.19 99.58 1cx1 n GLY 89 Ca 0.00 -1.26 0.48 0.00 0.00 0.00 0.00 46.02 45.24 1cx1 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cx1 h ALA 90 N 0.00 3.47 0.00 4.61 0.00 -2.00 -3.41 119.26 121.93 1cx1 h ALA 90 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cx1 h ALA 90 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cx1 h ALA 90 CO 0.00 -2.09 0.00 0.66 0.00 0.00 0.00 179.25 177.82 1cx1 n TYR 91 N -4.26 0.00 -1.67 0.00 4.01 -1.26 -4.84 117.16 109.15 1cx1 n TYR 91 Ca 0.43 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.71 1cx1 n TYR 91 Cb 1.85 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.83 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 2.12 -4.29 -0.72 1.85 -1.26 -4.81 116.66 109.56 1cx1 n ARG 92 Ca 0.00 0.77 -0.26 0.00 -1.00 0.00 0.00 57.85 57.36 1cx1 n ARG 92 Cb 0.00 -2.53 -0.09 0.00 -1.05 0.00 0.00 32.46 28.80 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1cx1 s THR 93 N 0.86 2.21 -0.04 8.89 -1.32 -1.26 -4.74 115.64 120.24 1cx1 s THR 93 Ca 0.78 -1.80 0.10 0.00 -1.21 0.00 0.00 61.69 59.57 1cx1 s THR 93 Cb -0.68 -3.00 -0.16 0.00 -1.51 0.00 0.00 72.50 67.15 1cx1 s THR 93 CO 0.38 -0.00 0.17 0.00 -2.21 0.00 0.00 174.62 172.96 1cx1 n ALA 94 N -1.15 2.19 -0.55 11.08 0.00 -1.25 -4.47 120.51 126.36 1cx1 n ALA 94 Ca -0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 52.86 1cx1 n ALA 94 Cb 0.65 -0.24 0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.05 1.73 -2.96 0.00 -0.00 -1.09 -4.85 117.46 108.24 1cx1 n PHE 95 Ca -0.07 -1.64 -0.43 0.00 -0.00 0.00 0.00 57.45 55.31 1cx1 n PHE 95 Cb 0.47 -0.81 -0.05 0.00 -0.00 0.00 0.00 39.48 39.09 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 -1.94 3.22 0.29 -4.13 -6.30 -1.26 -2.46 118.70 106.12 1cx1 s GLU 96 Ca 0.33 -0.59 0.03 0.00 -2.50 0.00 0.00 54.97 52.25 1cx1 s GLU 96 Cb 0.27 -4.10 -0.03 0.00 0.00 0.00 0.00 34.13 30.27 1cx1 s GLU 96 CO 0.03 -1.44 0.27 1.14 0.02 0.00 0.00 175.26 175.28 1cx1 s GLN 97 N 3.46 1.62 0.00 4.30 -2.07 -1.17 -5.06 119.66 120.74 1cx1 s GLN 97 Ca 0.23 -1.87 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1cx1 s GLN 97 Cb -0.16 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 1cx1 s GLN 97 CO 0.15 -0.60 0.37 0.41 -1.32 0.00 0.00 175.29 174.30 1cx1 n GLY 98 N -0.52 0.16 2.81 2.60 0.00 -1.26 -3.63 105.19 105.36 1cx1 n GLY 98 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1cx1 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cx1 n SER 99 N 0.00 5.53 -4.27 1.61 7.64 -1.26 -4.61 113.62 118.27 1cx1 n SER 99 Ca 0.00 -3.67 -0.42 0.00 1.01 0.00 0.00 58.87 55.79 1cx1 n SER 99 Cb 0.53 -0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 100 N -3.71 3.44 0.06 -0.43 0.00 -1.16 -4.97 121.76 115.00 1cx1 s ALA 100 Ca 0.44 -2.38 -0.30 0.00 0.00 0.00 0.00 51.96 49.72 1cx1 s ALA 100 Cb 0.23 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 1cx1 s ALA 100 CO -0.12 -1.84 1.03 -1.25 0.00 0.00 0.00 175.76 173.58 1cx1 s PRO 101 N 1.46 4.58 -0.08 0.00 0.04 -1.26 -0.25 135.00 139.49 1cx1 s PRO 101 Ca 0.04 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1cx1 s PRO 101 Cb -0.26 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 30.92 1cx1 s PRO 101 CO 0.02 -0.00 0.19 -0.51 0.04 0.00 0.00 177.00 176.73 1cx1 s LEU 102 N 0.57 0.89 0.00 -3.56 1.43 -1.12 -4.96 118.68 111.94 1cx1 s LEU 102 Ca 0.52 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1cx1 s LEU 102 Cb -0.24 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1cx1 s LEU 102 CO 0.30 -0.12 0.00 1.07 0.23 0.00 0.00 176.35 177.83 1cx1 n THR 103 N 3.67 0.00 -0.02 5.49 5.66 -1.26 -1.92 114.28 125.89 1cx1 n THR 103 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1cx1 n THR 103 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.42 0.65 3.11 1.09 0.00 -1.22 -2.30 105.19 106.94 1cx1 n GLY 104 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 1.54 2.44 -0.27 1.61 2.56 -1.26 -5.01 118.70 120.31 1cx1 s GLU 105 Ca 0.00 -2.33 -0.29 0.00 0.00 0.00 0.00 54.97 52.35 1cx1 s GLU 105 Cb 0.00 -3.71 0.01 0.00 2.00 0.00 0.00 34.13 32.43 1cx1 s GLU 105 CO 0.00 -1.15 1.08 -1.25 -0.56 0.00 0.00 175.26 173.38 1cx1 s PRO 106 N 0.28 4.16 0.00 4.30 0.04 -1.26 -4.56 135.00 137.95 1cx1 s PRO 106 Ca 0.14 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1cx1 s PRO 106 Cb -0.21 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1cx1 s PRO 106 CO -0.04 -0.78 0.00 0.00 0.04 0.00 0.00 177.00 176.23 1cx1 n ALA 107 N 6.64 0.00 -2.61 8.56 0.00 -1.25 -4.97 120.51 126.87 1cx1 n ALA 107 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1cx1 n ALA 107 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.42 4.98 -0.04 0.00 -4.23 -1.26 -2.95 115.64 109.72 1cx1 s THR 108 Ca 0.00 0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 1cx1 s THR 108 Cb 0.00 -3.95 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 1cx1 s THR 108 CO 0.00 -0.04 0.41 -0.13 -0.54 0.00 0.00 174.62 174.32 1cx1 s ARG 109 N 2.52 4.03 -0.25 3.99 1.81 -0.93 -4.83 118.95 125.29 1cx1 s ARG 109 Ca 0.25 0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 54.59 1cx1 s ARG 109 Cb -0.15 -3.28 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 1cx1 s ARG 109 CO 0.10 0.55 0.04 -1.21 -0.68 0.00 0.00 175.30 174.10 1cx1 s GLU 110 N -0.60 3.42 -0.35 3.54 2.02 -1.24 -2.88 118.70 122.60 1cx1 s GLU 110 Ca 0.24 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 1cx1 s GLU 110 Cb -0.16 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 30.86 1cx1 s GLU 110 CO 0.12 -0.26 0.14 0.71 0.02 0.00 0.00 175.26 175.99 1cx1 s TYR 111 N 1.54 3.25 -0.18 1.61 1.51 -1.03 -4.86 117.35 119.20 1cx1 s TYR 111 Ca 0.05 -1.29 -0.10 0.00 -1.01 0.00 0.00 57.07 54.72 1cx1 s TYR 111 Cb -0.15 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 1cx1 s TYR 111 CO 0.01 -0.71 0.17 0.00 -1.11 0.00 0.00 175.55 173.91 1cx1 s ALA 112 N 1.45 3.69 0.22 3.71 0.00 -1.26 -2.66 121.76 126.92 1cx1 s ALA 112 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1cx1 s ALA 112 Cb -0.19 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1cx1 s ALA 112 CO 0.04 0.20 0.04 -0.59 0.00 0.00 0.00 175.76 175.45 1cx1 s PHE 113 N 0.21 1.44 -0.22 0.00 -0.71 -1.14 -4.97 117.98 112.58 1cx1 s PHE 113 Ca 0.11 -1.05 -0.11 0.00 -1.04 0.00 0.00 56.93 54.83 1cx1 s PHE 113 Cb -0.12 -0.84 -0.05 0.00 -1.21 0.00 0.00 43.02 40.81 1cx1 s PHE 113 CO 0.00 -0.21 0.19 0.95 -1.34 0.00 0.00 175.22 174.81 1cx1 s THR 114 N -3.62 5.35 -0.03 -4.49 -4.23 -1.26 -2.48 115.64 104.88 1cx1 s THR 114 Ca 0.30 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1cx1 s THR 114 Cb 0.07 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 1cx1 s THR 114 CO 0.09 0.36 1.50 -0.44 -0.54 0.00 0.00 174.62 175.59 1cx1 s SER 115 N 0.86 6.77 0.00 3.99 0.01 0.26 -4.84 113.70 120.75 1cx1 s SER 115 Ca 0.09 2.15 0.02 0.00 1.31 0.00 0.00 55.95 59.53 1cx1 s SER 115 Cb -0.13 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1cx1 s SER 115 CO 0.03 -0.81 0.11 -3.20 0.41 0.00 0.00 173.24 169.77 1cx1 n ASN 116 N 6.14 0.12 -3.71 2.44 4.05 -1.26 0.17 115.26 123.21 1cx1 n ASN 116 Ca 0.15 -0.56 -0.17 0.00 0.45 0.00 0.00 54.58 54.45 1cx1 n ASN 116 Cb 0.43 1.00 -0.16 0.00 1.23 0.00 0.00 39.78 42.28 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1cx1 s LEU 117 N -2.11 0.41 0.47 1.20 2.96 -1.26 -4.83 118.68 115.52 1cx1 s LEU 117 Ca 0.01 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.86 1cx1 s LEU 117 Cb 0.02 0.07 -0.07 0.00 0.50 0.00 0.00 46.19 46.71 1cx1 s LEU 117 CO 0.10 -0.20 1.32 0.42 -1.32 0.00 0.00 176.35 176.66 1cx1 s THR 118 N 1.76 2.44 -0.34 3.68 -4.23 -1.26 -4.00 115.64 113.68 1cx1 s THR 118 Ca -0.01 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1cx1 s THR 118 Cb -0.12 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.66 1cx1 s THR 118 CO -0.04 0.02 0.25 -0.36 -0.54 0.00 0.00 174.62 173.95 1cx1 s PHE 119 N -1.32 0.27 0.72 3.99 0.08 -0.07 -4.90 117.98 116.75 1cx1 s PHE 119 Ca 0.64 -1.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.40 1cx1 s PHE 119 Cb -0.38 -0.72 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 1cx1 s PHE 119 CO 0.47 -0.88 1.11 -1.25 -0.10 0.00 0.00 175.22 174.57 1cx1 s PRO 120 N 1.42 2.65 0.35 0.24 0.04 -1.26 -2.86 135.00 135.58 1cx1 s PRO 120 Ca 0.16 0.35 0.24 0.00 0.04 0.00 0.00 61.00 61.79 1cx1 s PRO 120 Cb -0.19 -2.02 0.53 0.00 0.04 0.00 0.00 34.50 32.86 1cx1 s PRO 120 CO -0.08 -1.15 1.68 -1.00 0.04 0.00 0.00 177.00 176.49 1cx1 h PRO 121 N -0.72 0.00 -5.49 0.56 0.13 -1.91 -3.38 132.00 121.19 1cx1 h PRO 121 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1cx1 h PRO 121 Cb 1.27 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 1cx1 h PRO 121 CO 0.64 0.00 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.22 1cx1 s ASP 122 N -5.55 4.67 0.00 1.44 1.01 -1.26 -4.26 116.67 112.72 1cx1 s ASP 122 Ca 0.08 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1cx1 s ASP 122 Cb 0.08 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.38 1cx1 s ASP 122 CO 0.64 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.85 1cx1 n GLY 123 N 3.22 0.30 1.19 0.21 0.00 -1.26 -4.74 105.19 104.10 1cx1 n GLY 123 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cx1 n ASP 124 N 0.00 -0.19 -2.95 1.61 2.03 -1.26 -4.64 116.55 111.15 1cx1 n ASP 124 Ca 0.00 0.09 -0.14 0.00 0.52 0.00 0.00 54.79 55.26 1cx1 n ASP 124 Cb 0.00 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 39.85 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 0.14 -1.00 -1.67 0.00 -1.26 -4.43 120.51 111.12 1cx1 n ALA 125 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1cx1 n ALA 125 Cb 0.09 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N 1.83 1.14 -1.74 0.00 -0.04 -1.26 -4.58 135.00 130.36 1cx1 n PRO 126 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 1cx1 n PRO 126 Cb 0.58 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.08 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 127 N -0.92 1.93 -0.14 0.55 0.00 -1.26 -3.97 107.32 103.52 1cx1 s GLY 127 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 1cx1 s GLY 127 CO 0.00 0.64 0.39 1.62 0.00 0.00 0.00 173.10 175.75 1cx1 s GLN 128 N -4.48 0.46 -0.30 2.90 0.74 0.42 -3.04 119.66 116.36 1cx1 s GLN 128 Ca 0.62 0.51 -0.05 0.00 0.05 0.00 0.00 55.36 56.49 1cx1 s GLN 128 Cb -0.16 0.23 0.17 0.00 1.10 0.00 0.00 33.01 34.34 1cx1 s GLN 128 CO 0.46 -0.06 0.67 0.54 -0.55 0.00 0.00 175.29 176.34 1cx1 s VAL 129 N 0.14 -0.92 -0.23 1.34 0.11 -0.67 -1.56 120.40 118.61 1cx1 s VAL 129 Ca -0.01 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1cx1 s VAL 129 Cb -0.03 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1cx1 s VAL 129 CO 0.01 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 171.68 1cx1 s ALA 130 N 2.86 2.22 -0.28 1.54 0.00 -0.79 -2.00 121.76 125.32 1cx1 s ALA 130 Ca 0.11 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1cx1 s ALA 130 Cb -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1cx1 s ALA 130 CO -0.20 -1.01 1.53 -0.06 0.00 0.00 0.00 175.76 176.02 1cx1 s PHE 131 N 1.28 2.26 -0.53 0.00 0.40 -0.44 -2.82 117.98 118.12 1cx1 s PHE 131 Ca -0.05 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 56.77 1cx1 s PHE 131 Cb -0.18 -4.02 0.12 0.00 0.51 0.00 0.00 43.02 39.45 1cx1 s PHE 131 CO -0.07 -2.50 0.50 -1.01 0.70 0.00 0.00 175.22 172.85 1cx1 s HIS 132 N 5.19 3.23 -0.03 0.36 3.76 0.20 -2.51 115.29 125.49 1cx1 s HIS 132 Ca 0.67 -1.22 0.11 0.00 -0.15 0.00 0.00 55.06 54.47 1cx1 s HIS 132 Cb -0.21 -3.73 -0.17 0.00 1.11 0.00 0.00 32.58 29.58 1cx1 s HIS 132 CO 0.29 -1.01 0.22 1.28 -0.85 0.00 0.00 174.74 174.67 1cx1 n LEU 133 N 5.31 0.00 -4.54 0.89 4.32 -1.23 0.38 117.00 122.13 1cx1 n LEU 133 Ca -0.13 0.00 -0.46 0.00 -0.02 0.00 0.00 56.01 55.40 1cx1 n LEU 133 Cb 0.41 0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 1cx1 n LEU 133 CO 0.53 0.03 0.42 0.61 -1.22 0.00 0.00 177.39 177.76 1cx1 n GLY 134 N 1.93 -0.66 0.00 -0.72 0.00 -1.16 -4.64 105.19 99.94 1cx1 n GLY 134 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.83 0.00 0.15 1.61 5.02 -1.08 -3.32 118.16 121.36 1cx1 n LYS 135 Ca 0.12 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.57 1cx1 n LYS 135 Cb 0.30 0.00 0.56 0.00 -0.02 0.00 0.00 35.03 35.87 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 0.00 2.02 -0.40 7.82 0.00 0.94 5.02 119.26 134.67 1cx1 h ALA 136 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cx1 h ALA 136 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cx1 h ALA 136 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 178.82 1cx1 n GLY 137 N -1.45 1.97 0.00 0.00 0.00 -1.26 -4.51 105.19 99.94 1cx1 n GLY 137 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.00 4.61 0.00 1.64 -4.96 120.51 122.88 1cx1 n ALA 138 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1cx1 n ALA 138 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.00 -4.33 0.00 0.18 0.25 -4.83 117.16 108.43 1cx1 n TYR 139 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 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 0.00 0.84 -0.19 -3.48 2.02 -0.74 0.20 118.70 117.35 1cx1 s GLU 140 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1cx1 s GLU 140 Cb 0.00 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.46 1cx1 s GLU 140 CO 0.00 0.10 -0.14 0.12 0.02 0.00 0.00 175.26 175.36 1cx1 s PHE 141 N 0.20 2.56 -0.31 1.61 5.36 -1.18 -2.16 117.98 124.06 1cx1 s PHE 141 Ca -0.03 -1.61 -0.08 0.00 -0.96 0.00 0.00 56.93 54.25 1cx1 s PHE 141 Cb -0.08 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.87 1cx1 s PHE 141 CO 0.00 -0.76 0.12 0.00 -1.46 0.00 0.00 175.22 173.12 1cx1 s ILE 143 N 1.53 2.08 0.00 0.00 1.10 0.14 -2.74 121.20 123.32 1cx1 s ILE 143 Ca 0.03 -1.19 0.00 0.00 -0.51 0.00 0.00 60.65 58.98 1cx1 s ILE 143 Cb -0.17 -1.74 0.00 0.00 0.15 0.00 0.00 42.46 40.70 1cx1 s ILE 143 CO 0.04 0.52 0.00 -1.54 -2.11 0.00 0.00 174.94 171.85 1cx1 n SER 144 N 2.26 2.21 -3.68 4.50 3.41 -0.93 0.15 113.62 121.55 1cx1 n SER 144 Ca -0.16 -0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.26 1cx1 n SER 144 Cb 0.51 0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 65.02 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 -1.06 1.00 -0.29 4.33 -1.52 -1.25 0.15 119.66 121.03 1cx1 s GLN 145 Ca 0.00 -0.71 -0.15 0.00 -1.95 0.00 0.00 55.36 52.55 1cx1 s GLN 145 Cb 0.00 0.44 0.13 0.00 -0.22 0.00 0.00 33.01 33.36 1cx1 s GLN 145 CO 0.00 -0.37 0.86 0.54 -0.25 0.00 0.00 175.29 176.07 1cx1 s VAL 146 N -3.63 -0.26 -0.19 1.09 0.11 -1.26 -1.06 120.40 115.20 1cx1 s VAL 146 Ca 0.02 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.79 1cx1 s VAL 146 Cb 0.02 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.99 1cx1 s VAL 146 CO -0.11 0.00 0.96 -0.55 -3.33 0.00 0.00 175.10 172.08 1cx1 s SER 147 N 1.88 -0.44 0.04 3.54 0.15 -1.13 -4.37 113.70 113.37 1cx1 s SER 147 Ca -0.07 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.25 1cx1 s SER 147 Cb -0.06 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1cx1 s SER 147 CO -0.17 -0.31 -0.07 -1.48 1.20 0.00 0.00 173.24 172.41 1cx1 s LEU 148 N -0.63 3.16 0.00 3.45 0.05 -1.26 -0.98 118.68 122.47 1cx1 s LEU 148 Ca -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.95 1cx1 s LEU 148 Cb -0.02 -1.86 0.00 0.00 -2.05 0.00 0.00 46.19 42.26 1cx1 s LEU 148 CO 0.00 0.24 0.00 1.07 -0.55 0.00 0.00 176.35 177.11 1cx1 n THR 149 N 1.22 0.00 0.00 5.48 5.66 -0.33 -2.48 114.28 123.83 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 -1.79 1.09 5.66 -1.26 -2.39 114.28 115.59 1cx1 n THR 150 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1cx1 n THR 150 Cb 0.00 -0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 68.70 1cx1 n THR 150 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 151 N -1.63 -3.14 -4.06 1.09 7.64 -1.26 -4.84 113.62 107.41 1cx1 n SER 151 Ca 0.00 0.70 -0.14 0.00 1.01 0.00 0.00 58.87 60.44 1cx1 n SER 151 Cb 0.01 -2.86 -0.12 0.00 -1.01 0.00 0.00 64.21 60.24 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 152 N -0.28 0.60 0.00 -0.43 0.00 -1.26 -4.96 121.76 115.43 1cx1 s ALA 152 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1cx1 s ALA 152 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1cx1 s ALA 152 CO 0.19 0.00 0.14 2.41 0.00 0.00 0.00 175.76 178.50