#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 3.40 -3.27 0.00 7.64 -1.26 -4.99 113.62 115.14 1cx1 n SER 2 Ca 0.00 -0.02 -0.46 0.00 1.01 0.00 0.00 58.87 59.40 1cx1 n SER 2 Cb 0.00 0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1cx1 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 n LEU 3 N -2.42 0.62 -0.49 -3.43 -0.00 -1.26 -3.08 117.00 106.93 1cx1 n LEU 3 Ca -0.12 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 1cx1 n LEU 3 Cb 0.69 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1cx1 n LEU 3 CO 0.12 -0.59 0.25 -0.90 -0.00 0.00 0.00 177.39 176.26 1cx1 n ASP 4 N 5.21 0.00 0.00 1.45 5.68 -1.26 -4.82 116.55 122.81 1cx1 n ASP 4 Ca 0.38 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1cx1 n ASP 4 Cb -0.03 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1cx1 n SER 5 N 0.00 0.00 -3.48 -1.12 3.41 -1.26 -5.06 113.62 106.11 1cx1 n SER 5 Ca 0.00 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.12 1cx1 n SER 5 Cb 0.61 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1cx1 n GLU 6 N 0.00 0.00 0.00 4.33 0.00 -1.26 -4.63 120.64 119.08 1cx1 n GLU 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cx1 n GLU 6 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1cx1 n GLU 6 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1cx1 n VAL 7 N 2.78 0.19 -3.27 3.84 3.14 -1.26 -4.81 118.33 118.94 1cx1 n VAL 7 Ca 0.22 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.52 1cx1 n VAL 7 Cb -0.04 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 1cx1 n VAL 7 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1cx1 n GLU 8 N 0.39 -0.59 -0.07 1.45 2.13 -1.26 -4.74 120.64 117.95 1cx1 n GLU 8 Ca 0.00 -0.11 -0.07 0.00 0.66 0.00 0.00 57.16 57.63 1cx1 n GLU 8 Cb 0.19 -0.13 -0.01 0.00 0.27 0.00 0.00 31.44 31.76 1cx1 n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1cx1 h LEU 9 N 1.29 -0.08 -8.69 4.31 3.38 -1.69 -3.36 115.31 110.46 1cx1 h LEU 9 Ca -0.14 0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.21 1cx1 h LEU 9 Cb 0.30 0.10 -0.20 0.00 0.09 0.00 0.00 40.66 40.95 1cx1 h LEU 9 CO 0.09 -0.01 -0.51 -0.22 0.09 0.00 0.00 178.44 177.89 1cx1 s LEU 10 N -10.39 4.33 0.00 1.67 2.96 -1.26 -4.95 118.68 111.04 1cx1 s LEU 10 Ca -0.13 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1cx1 s LEU 10 Cb 0.11 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1cx1 s LEU 10 CO 0.70 -0.20 0.69 -0.81 -1.32 0.00 0.00 176.35 175.41 1cx1 n PRO 11 N 5.06 0.78 -4.08 0.98 -0.04 -1.26 -4.73 135.00 131.71 1cx1 n PRO 11 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1cx1 n PRO 11 Cb 0.50 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.04 0.35 -0.36 0.54 2.46 -1.26 -5.05 115.29 111.93 1cx1 s HIS 12 Ca 0.00 -0.06 0.05 0.00 0.47 0.00 0.00 55.06 55.51 1cx1 s HIS 12 Cb 0.00 -0.24 0.25 0.00 -0.13 0.00 0.00 32.58 32.46 1cx1 s HIS 12 CO 0.00 -0.02 1.23 -2.37 -2.47 0.00 0.00 174.74 171.11 1cx1 n THR 13 N 3.08 0.00 -2.73 0.89 5.66 -1.26 -4.63 114.28 115.29 1cx1 n THR 13 Ca -0.14 -1.00 -0.06 0.00 -3.05 0.00 0.00 64.05 59.81 1cx1 n THR 13 Cb 0.58 0.97 0.04 0.00 -1.55 0.00 0.00 70.33 70.37 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 -0.11 -2.64 -1.93 1.09 7.64 -1.19 -4.42 113.62 112.06 1cx1 n SER 14 Ca -0.10 -2.73 -0.00 0.00 1.01 0.00 0.00 58.87 57.05 1cx1 n SER 14 Cb 0.73 1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 65.45 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 2.04 0.00 -0.03 1.43 3.01 -0.83 -3.91 117.46 119.17 1cx1 n PHE 15 Ca 0.10 -0.15 -0.15 0.00 1.01 0.00 0.00 57.45 58.26 1cx1 n PHE 15 Cb 0.63 -0.29 -0.10 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 h ALA 16 N 3.57 0.08 -3.00 4.37 0.00 -1.83 -3.37 119.26 119.08 1cx1 h ALA 16 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cx1 h ALA 16 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cx1 h ALA 16 CO 0.00 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.75 1cx1 n GLU 17 N -4.50 0.00 -3.58 0.00 1.02 -1.25 -4.54 120.64 107.79 1cx1 n GLU 17 Ca -0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.69 1cx1 n GLU 17 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.84 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1cx1 s SER 18 N -0.02 6.68 0.17 1.62 0.01 -1.26 -4.86 113.70 116.03 1cx1 s SER 18 Ca 0.00 0.82 0.10 0.00 1.31 0.00 0.00 55.95 58.18 1cx1 s SER 18 Cb 0.00 -2.19 0.55 0.00 0.21 0.00 0.00 66.02 64.59 1cx1 s SER 18 CO 0.00 0.25 1.27 0.00 0.41 0.00 0.00 173.24 175.16 1cx1 n LEU 19 N 1.30 0.26 0.00 2.44 -0.00 -1.26 -4.65 117.00 115.09 1cx1 n LEU 19 Ca -0.11 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1cx1 n LEU 19 Cb 0.52 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1cx1 n LEU 19 CO 0.40 -0.67 0.00 0.61 -0.00 0.00 0.00 177.39 177.73 1cx1 n GLY 20 N -1.36 -0.14 0.04 1.47 0.00 -1.26 -3.71 105.19 100.22 1cx1 n GLY 20 Ca -0.01 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 3.17 0.10 0.00 1.61 -0.04 -1.26 -4.84 135.00 133.73 1cx1 n PRO 21 Ca 0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1cx1 n PRO 21 Cb 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.78 -1.59 -3.66 0.54 7.02 -1.24 -4.81 117.44 111.92 1cx1 n TRP 22 Ca 0.06 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.47 1cx1 n TRP 22 Cb 0.37 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.18 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 -1.67 -0.76 -0.07 -0.99 0.01 -0.37 -4.90 113.70 104.94 1cx1 s SER 23 Ca 0.00 1.27 0.05 0.00 1.31 0.00 0.00 55.95 58.58 1cx1 s SER 23 Cb 0.00 1.36 -0.00 0.00 0.21 0.00 0.00 66.02 67.59 1cx1 s SER 23 CO 0.00 -0.22 -0.23 -1.48 0.41 0.00 0.00 173.24 171.72 1cx1 s LEU 24 N 1.93 2.04 -0.27 2.44 2.34 -1.26 0.14 118.68 126.04 1cx1 s LEU 24 Ca -0.08 -0.50 -0.32 0.00 0.06 0.00 0.00 54.13 53.29 1cx1 s LEU 24 Cb -0.08 -1.32 0.17 0.00 -0.56 0.00 0.00 46.19 44.41 1cx1 s LEU 24 CO -0.17 0.19 1.32 -0.72 -1.06 0.00 0.00 176.35 175.92 1cx1 s TYR 25 N 0.08 -0.06 0.00 3.48 1.13 -1.17 -4.99 117.35 115.81 1cx1 s TYR 25 Ca -0.10 0.09 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 1cx1 s TYR 25 Cb -0.15 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 1cx1 s TYR 25 CO 0.05 -0.07 0.00 0.41 -2.51 0.00 0.00 175.55 173.43 1cx1 n GLY 26 N 0.35 2.55 0.00 5.49 0.00 -1.26 -2.98 105.19 109.33 1cx1 n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.73 0.00 -3.38 2.61 5.66 -1.24 -3.84 114.28 113.37 1cx1 n THR 27 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 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 6.91 -0.80 1.09 1.04 -1.26 -4.91 113.70 115.76 1cx1 s SER 28 Ca 0.00 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.25 1cx1 s SER 28 Cb 0.00 -2.30 -0.19 0.00 0.10 0.00 0.00 66.02 63.63 1cx1 s SER 28 CO 0.00 0.24 2.27 -1.84 0.98 0.00 0.00 173.24 174.89 1cx1 n GLU 29 N 1.47 0.00 -0.89 4.02 0.28 -1.26 -4.51 120.64 119.75 1cx1 n GLU 29 Ca -0.10 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.55 1cx1 n GLU 29 Cb 0.52 -1.30 0.08 0.00 1.43 0.00 0.00 31.44 32.16 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 7.25 -0.21 -3.56 3.44 -0.02 -1.26 -4.95 135.00 135.68 1cx1 n PRO 30 Ca 0.56 -0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1cx1 n PRO 30 Cb 0.02 -1.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1cx1 n PRO 30 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cx1 s VAL 31 N -2.19 0.17 -1.15 -1.45 0.11 -1.08 -4.95 120.40 109.86 1cx1 s VAL 31 Ca 0.48 -1.09 -0.21 0.00 -2.93 0.00 0.00 61.98 58.23 1cx1 s VAL 31 Cb -0.18 -1.15 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1cx1 s VAL 31 CO 0.74 -0.77 1.70 0.72 -3.33 0.00 0.00 175.10 174.16 1cx1 s PHE 32 N 1.78 2.47 0.00 1.54 -0.12 -1.25 -2.97 117.98 119.43 1cx1 s PHE 32 Ca 0.11 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1cx1 s PHE 32 Cb -0.18 -4.55 0.00 0.00 -0.63 0.00 0.00 43.02 37.67 1cx1 s PHE 32 CO -0.27 -1.75 0.00 0.00 -0.05 0.00 0.00 175.22 173.15 1cx1 n ALA 33 N 10.08 0.00 0.46 1.99 0.00 0.22 -4.74 120.51 128.52 1cx1 n ALA 33 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 1cx1 n ALA 33 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.17 -0.77 0.00 3.32 -1.92 -3.38 116.42 112.49 1cx1 h ASP 34 Ca 0.00 0.06 -0.32 0.00 0.02 0.00 0.00 57.03 56.79 1cx1 h ASP 34 Cb 0.00 0.33 -0.38 0.00 0.22 0.00 0.00 39.33 39.50 1cx1 h ASP 34 CO 0.00 -0.76 -1.10 0.61 -1.72 0.00 0.00 179.24 176.27 1cx1 n GLY 35 N -1.62 1.58 3.58 2.75 0.00 -1.26 -4.67 105.19 105.55 1cx1 n GLY 35 Ca -0.15 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.01 0.60 -0.09 1.61 1.70 -1.26 -4.68 118.95 113.82 1cx1 s ARG 36 Ca 0.26 0.20 0.03 0.00 -0.47 0.00 0.00 55.73 55.75 1cx1 s ARG 36 Cb 0.42 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 35.09 1cx1 s ARG 36 CO 0.01 -0.18 -0.19 1.41 -1.08 0.00 0.00 175.30 175.27 1cx1 s MET 37 N -0.96 2.52 0.07 3.89 1.75 -0.14 0.73 119.30 127.16 1cx1 s MET 37 Ca -0.02 -0.69 0.09 0.00 -1.25 0.00 0.00 55.69 53.82 1cx1 s MET 37 Cb -0.01 -1.97 -0.03 0.00 2.84 0.00 0.00 34.83 35.66 1cx1 s MET 37 CO 0.01 0.09 -0.23 0.00 -0.65 0.00 0.00 175.02 174.24 1cx1 s VAL 39 N -0.91 2.16 -0.49 0.00 -7.23 -0.94 -2.62 120.40 110.37 1cx1 s VAL 39 Ca 0.10 -2.32 -0.10 0.00 -1.81 0.00 0.00 61.98 57.84 1cx1 s VAL 39 Cb -0.10 -2.21 0.12 0.00 0.56 0.00 0.00 36.38 34.75 1cx1 s VAL 39 CO 0.03 -0.47 0.37 -1.81 -0.31 0.00 0.00 175.10 172.92 1cx1 s ASP 40 N -3.44 5.78 -0.84 4.85 1.01 -1.26 -3.04 116.67 119.74 1cx1 s ASP 40 Ca 0.27 -1.93 0.01 0.00 0.71 0.00 0.00 52.55 51.61 1cx1 s ASP 40 Cb -0.03 -2.04 0.21 0.00 1.01 0.00 0.00 42.92 42.07 1cx1 s ASP 40 CO 0.12 -0.71 0.70 0.18 0.21 0.00 0.00 175.17 175.67 1cx1 n LEU 41 N 4.92 3.85 0.00 1.23 4.32 -1.00 -4.04 117.00 126.27 1cx1 n LEU 41 Ca -0.08 -5.17 0.00 0.00 -0.02 0.00 0.00 56.01 50.74 1cx1 n LEU 41 Cb 0.41 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 1cx1 n LEU 41 CO 0.44 1.64 0.00 -0.81 -1.22 0.00 0.00 177.39 177.44 1cx1 n PRO 42 N 2.14 1.36 -3.46 3.23 -0.04 -1.26 0.18 135.00 137.16 1cx1 n PRO 42 Ca 0.21 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 1cx1 n PRO 42 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 43 N -0.81 2.01 0.00 0.55 0.00 -1.25 -3.71 107.32 104.10 1cx1 s GLY 43 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1cx1 s GLY 43 CO 0.00 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1cx1 n GLY 44 N 4.21 0.19 3.00 0.20 0.00 -1.24 -4.94 105.19 106.60 1cx1 n GLY 44 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 4.47 -0.14 1.61 6.02 -1.26 -4.88 117.38 123.20 1cx1 n GLN 45 Ca 0.00 -4.54 -0.02 0.00 -0.01 0.00 0.00 57.00 52.44 1cx1 n GLN 45 Cb 0.00 -2.52 -0.02 0.00 1.02 0.00 0.00 30.24 28.72 1cx1 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cx1 n GLY 46 N 1.35 1.26 2.98 1.08 0.00 -1.26 -3.87 105.19 106.73 1cx1 n GLY 46 Ca 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 2.83 -1.16 0.00 1.61 6.03 -1.26 -4.98 114.94 118.01 1cx1 s ASN 47 Ca 0.09 -0.81 0.00 0.00 -1.03 0.00 0.00 52.86 51.11 1cx1 s ASN 47 Cb 0.04 1.50 0.00 0.00 -3.03 0.00 0.00 41.25 39.76 1cx1 s ASN 47 CO 0.00 -0.10 0.55 -2.65 -2.03 0.00 0.00 177.10 172.86 1cx1 n PRO 48 N 3.82 0.00 -1.31 3.55 -0.02 -1.25 -1.38 135.00 138.41 1cx1 n PRO 48 Ca 0.11 0.14 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 1cx1 n PRO 48 Cb 0.59 -1.69 0.11 0.00 -0.02 0.00 0.00 33.50 32.49 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1cx1 n TRP 49 N -1.05 3.18 -2.47 6.00 2.14 -1.26 -4.27 117.44 119.71 1cx1 n TRP 49 Ca 0.00 -2.71 0.00 0.00 2.07 0.00 0.00 57.50 56.87 1cx1 n TRP 49 Cb 0.19 -1.31 0.02 0.00 -0.81 0.00 0.00 31.31 29.39 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 -0.98 0.46 0.00 -0.67 8.00 -0.48 -5.04 116.55 117.84 1cx1 n ASP 50 Ca 0.62 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1cx1 n ASP 50 Cb 0.94 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 51 N 0.00 0.00 0.00 2.24 0.00 -1.25 -3.64 120.51 117.86 1cx1 n ALA 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cx1 n ALA 51 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1cx1 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 52 N 0.00 0.04 4.03 0.00 0.00 -1.16 -3.55 105.19 104.54 1cx1 n GLY 52 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 3.26 0.21 0.99 1.02 -1.03 -3.03 118.68 120.11 1cx1 s LEU 53 Ca 0.00 -0.70 -0.14 0.00 0.02 0.00 0.00 54.13 53.31 1cx1 s LEU 53 Cb 0.00 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.26 1cx1 s LEU 53 CO 0.00 -1.19 0.47 -0.69 0.02 0.00 0.00 176.35 174.97 1cx1 s VAL 54 N -2.59 0.02 -0.30 -1.59 1.01 0.12 -1.44 120.40 115.63 1cx1 s VAL 54 Ca 0.60 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1cx1 s VAL 54 Cb -0.07 -1.89 0.20 0.00 0.00 0.00 0.00 36.38 34.62 1cx1 s VAL 54 CO 0.37 -0.10 1.27 -0.47 0.00 0.00 0.00 175.10 176.17 1cx1 s TYR 55 N -3.95 -0.12 0.25 5.22 5.04 -0.78 -1.23 117.35 121.78 1cx1 s TYR 55 Ca 0.16 0.25 0.08 0.00 -2.44 0.00 0.00 57.07 55.11 1cx1 s TYR 55 Cb -0.00 0.17 -0.04 0.00 0.35 0.00 0.00 41.96 42.44 1cx1 s TYR 55 CO 0.03 -0.06 0.14 -0.80 -1.34 0.00 0.00 175.55 173.52 1cx1 s ASN 56 N 0.83 5.28 0.00 4.32 0.02 -1.26 -1.10 114.94 123.03 1cx1 s ASN 56 Ca -0.05 -0.34 0.00 0.00 -1.02 0.00 0.00 52.86 51.45 1cx1 s ASN 56 Cb -0.03 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 39.97 1cx1 s ASN 56 CO -0.11 -0.02 0.00 0.61 0.02 0.00 0.00 177.10 177.59 1cx1 n GLY 57 N -1.08 0.77 2.46 0.66 0.00 -1.26 -4.93 105.19 101.81 1cx1 n GLY 57 Ca -0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1cx1 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cx1 n VAL 58 N 0.00 -0.11 -1.54 1.61 0.31 -1.26 -4.84 118.33 112.50 1cx1 n VAL 58 Ca 0.00 -3.04 -0.43 0.00 -0.01 0.00 0.00 64.34 60.86 1cx1 n VAL 58 Cb 0.00 0.53 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.43 0.99 -4.13 5.55 -0.02 -1.26 -4.81 135.00 131.73 1cx1 n PRO 59 Ca 0.16 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1cx1 n PRO 59 Cb 0.67 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.23 0.76 -0.16 -1.45 1.01 -1.14 -5.00 120.40 113.19 1cx1 s VAL 60 Ca 0.62 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1cx1 s VAL 60 Cb -0.66 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1cx1 s VAL 60 CO 0.58 -0.53 0.04 -0.83 0.00 0.00 0.00 175.10 174.36 1cx1 s GLY 61 N -2.21 0.57 0.10 4.51 0.00 -1.26 -2.94 107.32 106.09 1cx1 s GLY 61 Ca 0.01 -0.47 -0.32 0.00 0.00 0.00 0.00 44.72 43.93 1cx1 s GLY 61 CO -0.01 1.43 0.75 -2.21 0.00 0.00 0.00 173.10 173.06 1cx1 n GLU 62 N 5.12 0.00 0.00 2.90 0.00 0.42 -0.41 120.64 128.67 1cx1 n GLU 62 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1cx1 n GLU 62 Cb 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.74 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 63 N 1.67 1.73 3.94 8.31 0.00 0.82 -4.88 105.19 116.78 1cx1 n GLY 63 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.86 3.37 -0.17 1.61 0.41 0.45 -4.78 118.70 118.71 1cx1 s GLU 64 Ca 0.00 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.85 1cx1 s GLU 64 Cb 0.00 -2.88 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 1cx1 s GLU 64 CO 0.00 0.47 -0.19 -1.12 -0.49 0.00 0.00 175.26 173.94 1cx1 s SER 65 N -3.59 3.28 0.61 -0.19 0.01 -1.26 0.15 113.70 112.71 1cx1 s SER 65 Ca 0.34 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.07 1cx1 s SER 65 Cb -0.10 -1.50 0.10 0.00 0.21 0.00 0.00 66.02 64.73 1cx1 s SER 65 CO 0.28 0.02 0.84 -0.31 0.41 0.00 0.00 173.24 174.48 1cx1 s TYR 66 N 1.18 1.42 -0.28 2.43 1.51 -1.04 -3.30 117.35 119.27 1cx1 s TYR 66 Ca 0.02 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.26 1cx1 s TYR 66 Cb -0.14 -2.39 0.10 0.00 -0.11 0.00 0.00 41.96 39.43 1cx1 s TYR 66 CO -0.09 -1.30 0.82 0.54 -1.11 0.00 0.00 175.55 174.42 1cx1 s VAL 67 N -2.78 0.00 -0.17 0.71 0.11 -0.08 -2.65 120.40 115.54 1cx1 s VAL 67 Ca 0.63 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1cx1 s VAL 67 Cb -0.06 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1cx1 s VAL 67 CO 0.40 0.00 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.78 1cx1 s LEU 68 N 1.09 2.30 -0.42 2.54 2.96 -1.15 -1.99 118.68 124.02 1cx1 s LEU 68 Ca -0.06 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1cx1 s LEU 68 Cb -0.05 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.23 1cx1 s LEU 68 CO -0.12 0.03 0.22 -0.94 -1.32 0.00 0.00 176.35 174.22 1cx1 s SER 69 N 1.13 5.32 0.10 3.68 1.04 -1.07 -3.04 113.70 120.87 1cx1 s SER 69 Ca 0.01 -2.00 -0.09 0.00 0.48 0.00 0.00 55.95 54.35 1cx1 s SER 69 Cb -0.14 -1.85 -0.06 0.00 0.10 0.00 0.00 66.02 64.07 1cx1 s SER 69 CO -0.07 -0.56 0.41 0.72 0.98 0.00 0.00 173.24 174.72 1cx1 s PHE 70 N 1.18 3.55 -0.45 5.02 -0.71 -1.11 -3.08 117.98 122.38 1cx1 s PHE 70 Ca 0.08 0.77 -0.16 0.00 -1.04 0.00 0.00 56.93 56.58 1cx1 s PHE 70 Cb -0.23 -2.15 0.05 0.00 -1.21 0.00 0.00 43.02 39.48 1cx1 s PHE 70 CO -0.04 0.48 0.38 0.95 -1.34 0.00 0.00 175.22 175.65 1cx1 s THR 71 N -1.48 5.22 0.08 -4.49 -4.23 -0.42 -2.89 115.64 107.43 1cx1 s THR 71 Ca 0.36 -0.88 -0.23 0.00 -1.18 0.00 0.00 61.69 59.76 1cx1 s THR 71 Cb -0.13 -4.06 0.06 0.00 1.34 0.00 0.00 72.50 69.70 1cx1 s THR 71 CO 0.19 -0.49 0.55 0.00 -0.54 0.00 0.00 174.62 174.33 1cx1 s ALA 72 N 1.72 -1.41 -0.09 3.99 0.00 -1.18 -2.72 121.76 122.06 1cx1 s ALA 72 Ca 0.05 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 1cx1 s ALA 72 Cb -0.22 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1cx1 s ALA 72 CO 0.08 -0.58 -0.05 -1.54 0.00 0.00 0.00 175.76 173.68 1cx1 s SER 73 N -2.19 1.81 -0.02 0.00 1.04 -1.09 -2.68 113.70 110.58 1cx1 s SER 73 Ca -0.03 -0.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.91 1cx1 s SER 73 Cb -0.00 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 1cx1 s SER 73 CO -0.05 -0.13 0.92 0.00 0.98 0.00 0.00 173.24 174.96 1cx1 s ALA 74 N 1.68 3.20 -0.14 5.32 0.00 0.47 -2.88 121.76 129.41 1cx1 s ALA 74 Ca 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1cx1 s ALA 74 Cb -0.13 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1cx1 s ALA 74 CO -0.06 -0.21 -0.04 0.95 0.00 0.00 0.00 175.76 176.40 1cx1 s THR 75 N 0.98 0.91 0.00 0.00 -4.23 -0.88 -1.34 115.64 111.07 1cx1 s THR 75 Ca 0.49 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1cx1 s THR 75 Cb -0.20 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1cx1 s THR 75 CO 0.26 0.19 0.00 -0.81 -0.54 0.00 0.00 174.62 173.71 1cx1 n PRO 76 N 4.96 2.84 -3.16 3.99 -0.04 -1.26 -0.32 135.00 142.00 1cx1 n PRO 76 Ca -0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1cx1 n PRO 76 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cx1 s ASP 77 N -1.68 6.48 0.00 3.54 1.11 -1.25 -4.25 116.67 120.61 1cx1 s ASP 77 Ca 0.00 0.87 0.00 0.00 0.18 0.00 0.00 52.55 53.60 1cx1 s ASP 77 Cb 0.00 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.78 1cx1 s ASP 77 CO 0.00 -0.27 0.00 0.23 1.18 0.00 0.00 175.17 176.31 1cx1 n MET 78 N -1.05 0.00 -2.64 8.23 2.81 -1.17 -5.01 117.12 118.28 1cx1 n MET 78 Ca -0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1cx1 n MET 78 Cb 0.54 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.00 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 -2.21 4.62 0.42 0.03 0.04 -1.26 -2.83 135.00 133.81 1cx1 s PRO 79 Ca 0.00 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.66 1cx1 s PRO 79 Cb 0.00 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1cx1 s PRO 79 CO 0.00 0.27 0.34 0.14 0.04 0.00 0.00 177.00 177.79 1cx1 s VAL 80 N -1.35 2.55 0.20 -0.36 -7.23 0.13 -4.91 120.40 109.43 1cx1 s VAL 80 Ca 0.47 -1.42 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1cx1 s VAL 80 Cb -0.25 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 1cx1 s VAL 80 CO 0.32 0.00 0.04 -0.60 -0.31 0.00 0.00 175.10 174.55 1cx1 s ARG 81 N -4.09 2.52 0.13 4.82 3.52 -0.65 -2.94 118.95 122.26 1cx1 s ARG 81 Ca 0.46 -1.12 -0.20 0.00 -0.13 0.00 0.00 55.73 54.75 1cx1 s ARG 81 Cb -0.02 -2.39 0.05 0.00 -1.56 0.00 0.00 34.95 31.03 1cx1 s ARG 81 CO 0.27 0.44 0.51 0.54 -0.81 0.00 0.00 175.30 176.24 1cx1 s VAL 82 N -1.88 0.03 -0.14 7.11 0.11 -1.19 -2.55 120.40 121.90 1cx1 s VAL 82 Ca 0.29 -0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 58.87 1cx1 s VAL 82 Cb -0.09 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1cx1 s VAL 82 CO 0.20 -0.15 0.51 -1.48 -3.33 0.00 0.00 175.10 170.86 1cx1 s LEU 83 N -2.67 0.03 0.14 2.54 2.34 -1.04 -3.82 118.68 116.20 1cx1 s LEU 83 Ca 0.01 0.82 -0.16 0.00 0.06 0.00 0.00 54.13 54.86 1cx1 s LEU 83 Cb 0.00 1.84 0.03 0.00 -0.56 0.00 0.00 46.19 47.50 1cx1 s LEU 83 CO -0.11 -0.31 0.42 -0.69 -1.06 0.00 0.00 176.35 174.60 1cx1 s VAL 84 N -0.29 0.06 -3.44 1.48 1.01 -0.61 -1.80 120.40 116.81 1cx1 s VAL 84 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1cx1 s VAL 84 Cb -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1cx1 s VAL 84 CO 0.03 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1cx1 n GLY 85 N -0.25 0.80 1.48 4.51 0.00 -0.23 -2.43 105.19 109.08 1cx1 n GLY 85 Ca -0.14 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 1.31 -1.35 1.61 0.00 -1.26 -0.78 120.64 120.17 1cx1 n GLU 86 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 57.16 56.37 1cx1 n GLU 86 Cb 0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 31.44 30.04 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 87 N 0.63 -0.33 2.22 -1.84 0.00 -1.26 -4.62 105.19 100.00 1cx1 n GLY 87 Ca 0.13 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 5.26 3.54 1.96 -0.02 0.00 -1.24 -4.92 105.19 109.77 1cx1 n GLY 88 Ca 0.45 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.26 -4.29 5.00 -0.02 0.00 -1.26 -3.64 105.19 101.23 1cx1 n GLY 89 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.43 0.00 -1.39 4.61 0.00 -1.26 -4.73 120.51 119.17 1cx1 n ALA 90 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1cx1 n ALA 90 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.62 -0.31 0.00 4.02 -1.24 -4.86 117.16 115.39 1cx1 n TYR 91 Ca 0.00 -0.11 -0.07 0.00 -0.01 0.00 0.00 57.90 57.70 1cx1 n TYR 91 Cb 0.00 -1.96 0.07 0.00 -0.02 0.00 0.00 39.34 37.43 1cx1 n TYR 91 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1cx1 n ARG 92 N 7.02 -0.32 -2.36 -0.72 -4.01 -1.26 -3.65 116.66 111.36 1cx1 n ARG 92 Ca 0.28 -0.35 -0.04 0.00 -1.04 0.00 0.00 57.85 56.70 1cx1 n ARG 92 Cb 0.48 -0.80 -0.01 0.00 -3.04 0.00 0.00 32.46 29.08 1cx1 n ARG 92 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1cx1 n THR 93 N -3.44 0.00 0.00 8.89 5.66 -1.26 -4.20 114.28 119.94 1cx1 n THR 93 Ca 0.03 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1cx1 n THR 93 Cb 0.14 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 -2.44 1.56 -1.07 1.79 0.00 -1.26 -4.72 120.51 114.37 1cx1 n ALA 94 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1cx1 n ALA 94 Cb 0.14 0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.27 1.66 -1.38 0.00 -0.00 -1.02 -4.65 117.46 110.81 1cx1 n PHE 95 Ca 0.00 -2.03 -0.24 0.00 -0.00 0.00 0.00 57.45 55.18 1cx1 n PHE 95 Cb 0.12 -1.10 -0.07 0.00 -0.00 0.00 0.00 39.48 38.44 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 0.40 2.30 -4.24 -4.13 0.00 -1.26 -1.57 120.64 112.14 1cx1 n GLU 96 Ca 0.37 -2.08 -0.27 0.00 0.00 0.00 0.00 57.16 55.18 1cx1 n GLU 96 Cb 0.58 -2.09 -0.09 0.00 0.00 0.00 0.00 31.44 29.84 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1cx1 s GLN 97 N -1.28 2.23 0.00 5.31 0.74 -1.25 -5.01 119.66 120.40 1cx1 s GLN 97 Ca 0.58 -1.16 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1cx1 s GLN 97 Cb 0.36 -2.27 0.00 0.00 1.10 0.00 0.00 33.01 32.20 1cx1 s GLN 97 CO -0.18 0.45 0.21 0.41 -0.55 0.00 0.00 175.29 175.64 1cx1 n GLY 98 N 0.06 -0.71 2.50 2.59 0.00 -1.26 -3.15 105.19 105.22 1cx1 n GLY 98 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 6.64 -4.33 1.61 7.64 -1.26 -3.95 113.62 119.97 1cx1 n SER 99 Ca 0.00 -2.56 -0.41 0.00 1.01 0.00 0.00 58.87 56.91 1cx1 n SER 99 Cb 0.36 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 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 2.82 3.33 -0.13 -0.43 0.00 -1.15 -4.98 121.76 121.23 1cx1 s ALA 100 Ca 0.58 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1cx1 s ALA 100 Cb 0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 1cx1 s ALA 100 CO -0.05 -1.58 1.08 -1.25 0.00 0.00 0.00 175.76 173.97 1cx1 s PRO 101 N 1.51 4.35 0.40 0.00 0.04 -1.26 0.18 135.00 140.22 1cx1 s PRO 101 Ca 0.03 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.57 1cx1 s PRO 101 Cb -0.22 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 1cx1 s PRO 101 CO 0.04 -0.46 0.04 -0.51 0.04 0.00 0.00 177.00 176.16 1cx1 s LEU 102 N 2.51 2.37 0.00 -3.56 2.01 -1.13 -4.95 118.68 115.94 1cx1 s LEU 102 Ca 0.49 -1.49 0.03 0.00 0.01 0.00 0.00 54.13 53.17 1cx1 s LEU 102 Cb -0.19 -0.56 -0.01 0.00 0.01 0.00 0.00 46.19 45.44 1cx1 s LEU 102 CO 0.15 -0.67 0.11 1.07 1.01 0.00 0.00 176.35 178.02 1cx1 n THR 103 N -0.93 0.00 -0.91 5.49 5.66 -1.26 -3.05 114.28 119.28 1cx1 n THR 103 Ca -0.07 -1.03 -0.14 0.00 -3.05 0.00 0.00 64.05 59.76 1cx1 n THR 103 Cb 0.67 0.49 -0.00 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.02 3.70 3.48 1.09 0.00 -0.45 0.18 105.19 113.17 1cx1 n GLY 104 Ca 0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.16 1.18 -0.21 1.61 2.02 -1.26 -4.96 118.70 115.91 1cx1 s GLU 105 Ca 0.32 -0.46 -0.34 0.00 0.02 0.00 0.00 54.97 54.50 1cx1 s GLU 105 Cb 0.22 0.53 -0.11 0.00 0.10 0.00 0.00 34.13 34.86 1cx1 s GLU 105 CO -0.04 -0.52 2.01 -0.35 0.02 0.00 0.00 175.26 176.38 1cx1 n PRO 106 N -0.35 1.67 -3.68 0.39 -0.04 -1.26 -4.23 135.00 127.51 1cx1 n PRO 106 Ca -0.13 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1cx1 n PRO 106 Cb 0.64 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cx1 s ALA 107 N 5.60 -0.95 0.22 0.55 0.00 -1.09 -4.98 121.76 121.11 1cx1 s ALA 107 Ca 1.00 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 54.23 1cx1 s ALA 107 Cb -0.75 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 1cx1 s ALA 107 CO 0.51 -0.50 0.53 0.95 0.00 0.00 0.00 175.76 177.24 1cx1 s THR 108 N 2.00 4.97 0.01 0.00 -4.23 -1.26 -3.12 115.64 114.01 1cx1 s THR 108 Ca -0.05 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.89 1cx1 s THR 108 Cb -0.11 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1cx1 s THR 108 CO -0.12 -0.07 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.64 1cx1 s ARG 109 N -2.84 0.87 -0.08 3.99 1.81 -1.14 -4.96 118.95 116.59 1cx1 s ARG 109 Ca 0.46 -0.56 0.02 0.00 -1.72 0.00 0.00 55.73 53.93 1cx1 s ARG 109 Cb -0.11 -0.84 0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1cx1 s ARG 109 CO 0.22 0.22 -0.13 -1.21 -0.68 0.00 0.00 175.30 173.71 1cx1 s GLU 110 N -0.71 1.91 -0.16 3.54 2.02 -1.26 -2.75 118.70 121.30 1cx1 s GLU 110 Ca 0.02 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1cx1 s GLU 110 Cb -0.06 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.60 1cx1 s GLU 110 CO 0.00 -0.00 -0.13 0.71 0.02 0.00 0.00 175.26 175.86 1cx1 s TYR 111 N 0.78 2.20 0.03 1.61 2.02 -1.17 -4.93 117.35 117.90 1cx1 s TYR 111 Ca -0.12 -1.28 0.02 0.00 -0.37 0.00 0.00 57.07 55.32 1cx1 s TYR 111 Cb -0.16 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1cx1 s TYR 111 CO 0.02 -0.68 0.04 0.00 -1.57 0.00 0.00 175.55 173.37 1cx1 s ALA 112 N 1.48 3.44 0.22 3.71 0.00 -1.26 -2.94 121.76 126.41 1cx1 s ALA 112 Ca 0.04 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1cx1 s ALA 112 Cb -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1cx1 s ALA 112 CO -0.10 0.69 -0.02 -0.59 0.00 0.00 0.00 175.76 175.74 1cx1 s PHE 113 N -1.22 1.54 -0.26 0.00 -0.71 -1.08 -4.95 117.98 111.29 1cx1 s PHE 113 Ca 0.24 -0.89 -0.11 0.00 -1.04 0.00 0.00 56.93 55.14 1cx1 s PHE 113 Cb -0.12 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.77 1cx1 s PHE 113 CO 0.15 -0.00 0.17 0.95 -1.34 0.00 0.00 175.22 175.15 1cx1 s THR 114 N -3.38 5.27 0.20 -4.49 -4.23 -1.26 -2.50 115.64 105.25 1cx1 s THR 114 Ca 0.27 0.15 -0.32 0.00 -1.18 0.00 0.00 61.69 60.61 1cx1 s THR 114 Cb 0.05 -3.48 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1cx1 s THR 114 CO 0.08 0.30 1.73 -1.20 -0.54 0.00 0.00 174.62 174.98 1cx1 n SER 115 N 4.68 3.99 -0.00 3.99 7.64 0.39 -4.85 113.62 129.46 1cx1 n SER 115 Ca -0.15 1.06 0.03 0.00 1.01 0.00 0.00 58.87 60.82 1cx1 n SER 115 Cb 0.52 -1.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.11 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 4.02 3.68 0.00 6.43 3.02 -1.26 -0.13 115.26 131.03 1cx1 n ASN 116 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1cx1 n ASN 116 Cb 0.35 1.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 1cx1 n ASN 116 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1cx1 n LEU 117 N -1.68 0.00 -4.28 3.41 4.32 -1.26 -4.75 117.00 112.76 1cx1 n LEU 117 Ca -0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.73 1cx1 n LEU 117 Cb 0.14 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.81 1cx1 n LEU 117 CO 0.11 0.00 -0.52 0.42 -1.22 0.00 0.00 177.39 176.18 1cx1 s THR 118 N 0.14 1.74 -0.36 -5.08 -4.23 -1.26 0.16 115.64 106.74 1cx1 s THR 118 Ca 0.00 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1cx1 s THR 118 Cb 0.00 -1.56 0.15 0.00 1.34 0.00 0.00 72.50 72.44 1cx1 s THR 118 CO 0.00 0.03 0.36 -0.36 -0.54 0.00 0.00 174.62 174.11 1cx1 s PHE 119 N -1.04 -0.25 0.71 3.99 0.08 -1.15 -4.98 117.98 115.34 1cx1 s PHE 119 Ca 0.07 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.22 1cx1 s PHE 119 Cb -0.10 -0.44 0.03 0.00 -0.57 0.00 0.00 43.02 41.94 1cx1 s PHE 119 CO 0.04 -0.96 1.09 -1.25 -0.10 0.00 0.00 175.22 174.04 1cx1 s PRO 120 N 1.51 2.68 0.24 0.24 0.04 -1.26 -2.90 135.00 135.55 1cx1 s PRO 120 Ca 0.16 0.32 0.26 0.00 0.04 0.00 0.00 61.00 61.78 1cx1 s PRO 120 Cb -0.16 -2.04 0.75 0.00 0.04 0.00 0.00 34.50 33.10 1cx1 s PRO 120 CO -0.06 -1.11 1.75 -1.00 0.04 0.00 0.00 177.00 176.62 1cx1 h PRO 121 N -0.68 0.00 -5.50 0.56 0.13 -1.93 -3.37 132.00 121.21 1cx1 h PRO 121 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1cx1 h PRO 121 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 1cx1 h PRO 121 CO 0.64 0.00 -0.68 0.34 -0.23 0.00 0.00 178.00 178.07 1cx1 s ASP 122 N -4.76 4.69 0.00 1.44 -1.08 -1.26 -4.57 116.67 111.13 1cx1 s ASP 122 Ca 0.10 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1cx1 s ASP 122 Cb 0.11 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.95 1cx1 s ASP 122 CO 0.60 0.22 0.00 0.61 0.52 0.00 0.00 175.17 177.12 1cx1 n GLY 123 N 3.20 0.49 1.29 2.66 0.00 -1.26 -4.86 105.19 106.71 1cx1 n GLY 123 Ca -0.18 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 2.58 -2.66 1.61 9.92 -1.26 -4.73 116.55 122.01 1cx1 n ASP 124 Ca 0.00 -3.78 -0.04 0.00 -0.53 0.00 0.00 54.79 50.43 1cx1 n ASP 124 Cb 0.00 -0.66 0.08 0.00 -0.64 0.00 0.00 41.12 39.90 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 125 N -1.13 -3.70 -1.00 2.24 0.00 -1.26 -4.80 120.51 110.86 1cx1 n ALA 125 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1cx1 n ALA 125 Cb 1.11 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 1.52 1.24 -1.97 0.00 -0.04 -1.26 -4.72 135.00 129.77 1cx1 n PRO 126 Ca 0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 1cx1 n PRO 126 Cb 0.71 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.21 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 127 N -0.86 2.77 -0.13 0.55 0.00 -1.26 -4.27 107.32 104.12 1cx1 s GLY 127 Ca 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.71 1cx1 s GLY 127 CO 0.00 1.45 0.30 1.62 0.00 0.00 0.00 173.10 176.47 1cx1 s GLN 128 N -3.32 0.25 -0.01 2.90 0.74 0.04 -3.98 119.66 116.28 1cx1 s GLN 128 Ca 0.78 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.85 1cx1 s GLN 128 Cb -0.32 -0.06 0.01 0.00 1.10 0.00 0.00 33.01 33.74 1cx1 s GLN 128 CO 0.34 -0.18 -0.01 0.08 -0.55 0.00 0.00 175.29 174.97 1cx1 s VAL 129 N 1.54 0.11 -0.27 1.34 1.01 -0.26 -1.06 120.40 122.81 1cx1 s VAL 129 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1cx1 s VAL 129 Cb -0.10 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.30 1cx1 s VAL 129 CO -0.10 0.06 0.48 0.00 0.00 0.00 0.00 175.10 175.54 1cx1 s ALA 130 N 0.23 -1.62 -0.64 5.51 0.00 -0.75 -1.87 121.76 122.62 1cx1 s ALA 130 Ca -0.02 1.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.98 1cx1 s ALA 130 Cb -0.04 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1cx1 s ALA 130 CO -0.01 -1.30 1.21 -0.06 0.00 0.00 0.00 175.76 175.60 1cx1 s PHE 131 N 2.69 2.49 -0.21 0.00 0.40 -0.52 -2.50 117.98 120.33 1cx1 s PHE 131 Ca 0.16 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.57 1cx1 s PHE 131 Cb -0.15 -4.53 -0.05 0.00 0.51 0.00 0.00 43.02 38.80 1cx1 s PHE 131 CO -0.18 -1.77 0.16 -1.01 0.70 0.00 0.00 175.22 173.11 1cx1 s HIS 132 N 5.18 3.39 0.00 0.36 3.76 -1.06 -2.46 115.29 124.47 1cx1 s HIS 132 Ca 0.39 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1cx1 s HIS 132 Cb -0.08 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.40 1cx1 s HIS 132 CO 0.21 0.23 0.00 1.28 -0.85 0.00 0.00 174.74 175.60 1cx1 n LEU 133 N 3.72 0.10 -4.39 0.89 4.32 -1.23 -1.64 117.00 118.77 1cx1 n LEU 133 Ca -0.15 0.00 -0.56 0.00 -0.02 0.00 0.00 56.01 55.28 1cx1 n LEU 133 Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1cx1 n LEU 133 CO 0.37 0.02 0.45 0.61 -1.22 0.00 0.00 177.39 177.61 1cx1 n GLY 134 N 1.07 -0.56 3.63 -0.72 0.00 -1.23 -4.57 105.19 102.81 1cx1 n GLY 134 Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s LYS 135 N -0.19 0.61 0.65 1.61 1.02 -1.25 -3.81 119.74 118.37 1cx1 s LYS 135 Ca 0.84 0.70 0.02 0.00 0.02 0.00 0.00 55.97 57.55 1cx1 s LYS 135 Cb -1.18 0.30 0.06 0.00 -0.52 0.00 0.00 37.83 36.49 1cx1 s LYS 135 CO 0.56 -0.08 1.01 0.00 -0.92 0.00 0.00 175.35 175.92 1cx1 n ALA 136 N 2.29 0.06 -0.53 5.17 0.00 -1.25 0.44 120.51 126.69 1cx1 n ALA 136 Ca -0.13 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1cx1 n ALA 136 Cb 0.56 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.51 2.30 0.00 0.00 0.00 -1.26 -3.72 105.19 101.01 1cx1 n GLY 137 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.60 0.00 -3.00 4.61 0.00 1.52 -4.85 120.51 118.19 1cx1 n ALA 138 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cx1 n ALA 138 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.38 -0.12 -2.80 0.00 4.11 0.49 -4.57 117.16 112.89 1cx1 n TYR 139 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.58 1cx1 n TYR 139 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 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 0.47 4.09 -0.14 -3.48 2.02 0.56 -2.37 118.70 119.84 1cx1 s GLU 140 Ca 0.00 0.94 -0.03 0.00 0.02 0.00 0.00 54.97 55.90 1cx1 s GLU 140 Cb 0.00 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 32.04 1cx1 s GLU 140 CO 0.00 -0.04 0.05 0.12 0.02 0.00 0.00 175.26 175.41 1cx1 s PHE 141 N -2.25 0.56 -0.57 1.61 5.36 -1.17 -2.08 117.98 119.45 1cx1 s PHE 141 Ca 0.59 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 56.07 1cx1 s PHE 141 Cb -0.10 -0.80 0.15 0.00 -0.34 0.00 0.00 43.02 41.93 1cx1 s PHE 141 CO 0.19 -0.47 0.45 0.00 -1.46 0.00 0.00 175.22 173.93 1cx1 s ILE 143 N 0.91 4.28 0.00 0.00 2.07 -0.31 -2.65 121.20 125.50 1cx1 s ILE 143 Ca 0.10 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1cx1 s ILE 143 Cb -0.23 -2.81 0.00 0.00 0.13 0.00 0.00 42.46 39.56 1cx1 s ILE 143 CO -0.02 0.59 0.00 -1.54 -1.91 0.00 0.00 174.94 172.06 1cx1 n SER 144 N 2.27 0.72 -3.94 4.50 3.41 -1.10 -0.96 113.62 118.53 1cx1 n SER 144 Ca -0.18 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 1cx1 n SER 144 Cb 0.53 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.50 1.13 -0.30 4.33 -1.52 -1.25 -1.96 119.66 119.58 1cx1 s GLN 145 Ca 0.00 -1.13 -0.17 0.00 -1.95 0.00 0.00 55.36 52.11 1cx1 s GLN 145 Cb 0.00 0.38 0.20 0.00 -0.22 0.00 0.00 33.01 33.37 1cx1 s GLN 145 CO 0.00 -0.41 1.26 0.54 -0.25 0.00 0.00 175.29 176.43 1cx1 s VAL 146 N -3.95 -0.03 0.01 1.09 0.11 -1.26 -1.31 120.40 115.07 1cx1 s VAL 146 Ca 0.15 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1cx1 s VAL 146 Cb 0.03 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1cx1 s VAL 146 CO -0.01 0.00 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.31 1cx1 s SER 147 N 1.44 0.16 -0.07 3.54 0.01 -1.18 -4.44 113.70 113.18 1cx1 s SER 147 Ca -0.05 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1cx1 s SER 147 Cb -0.02 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1cx1 s SER 147 CO -0.12 -0.24 -0.19 -0.22 0.41 0.00 0.00 173.24 172.88 1cx1 s LEU 148 N -1.12 2.44 0.00 2.44 2.96 -1.26 -2.58 118.68 121.55 1cx1 s LEU 148 Ca -0.12 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1cx1 s LEU 148 Cb -0.08 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1cx1 s LEU 148 CO -0.01 0.26 0.41 1.07 -1.32 0.00 0.00 176.35 176.76 1cx1 n THR 149 N 2.87 0.00 -2.26 3.68 5.66 -0.84 -1.87 114.28 121.51 1cx1 n THR 149 Ca -0.17 -1.23 0.00 0.00 -3.05 0.00 0.00 64.05 59.59 1cx1 n THR 149 Cb 0.52 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.43 0.00 -4.84 1.09 5.66 -1.26 -0.90 114.28 113.59 1cx1 n THR 150 Ca -0.01 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1cx1 n THR 150 Cb 0.44 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.06 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cx1 s SER 151 N 1.00 3.40 0.91 1.09 1.04 -1.21 -4.56 113.70 115.38 1cx1 s SER 151 Ca 0.00 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.73 1cx1 s SER 151 Cb 0.00 -1.49 -0.15 0.00 0.10 0.00 0.00 66.02 64.47 1cx1 s SER 151 CO 0.00 0.12 -0.99 0.00 0.98 0.00 0.00 173.24 173.35 1cx1 n ALA 152 N 3.78 -5.27 0.49 5.32 0.00 -1.18 -4.63 120.51 119.02 1cx1 n ALA 152 Ca -0.19 -0.86 0.06 0.00 0.00 0.00 0.00 53.44 52.44 1cx1 n ALA 152 Cb 0.52 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.10 1cx1 n ALA 152 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13