#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 -4.87 0.00 7.64 -1.26 -4.32 113.62 110.80 1cx1 n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1cx1 n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1cx1 s LEU 3 N 0.00 3.74 -0.40 -3.43 1.98 -1.26 -4.88 118.68 114.42 1cx1 s LEU 3 Ca 0.00 1.19 -0.36 0.00 -2.89 0.00 0.00 54.13 52.07 1cx1 s LEU 3 Cb 0.00 -4.10 -0.16 0.00 0.66 0.00 0.00 46.19 42.59 1cx1 s LEU 3 CO 0.00 -0.47 1.60 0.47 -1.89 0.00 0.00 176.35 176.06 1cx1 n ASP 4 N -1.52 0.72 0.00 3.68 8.00 -1.26 -4.33 116.55 121.83 1cx1 n ASP 4 Ca 0.03 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1cx1 n ASP 4 Cb 0.54 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cx1 n SER 5 N 5.23 -1.68 -3.96 -2.24 3.41 -1.26 -4.71 113.62 108.41 1cx1 n SER 5 Ca 0.39 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.77 1cx1 n SER 5 Cb -0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1cx1 s GLU 6 N 0.00 1.27 -0.67 4.33 -1.05 -1.26 -4.70 118.70 116.61 1cx1 s GLU 6 Ca 0.00 -0.26 -0.25 0.00 -0.15 0.00 0.00 54.97 54.31 1cx1 s GLU 6 Cb 0.00 -1.12 -0.12 0.00 -0.44 0.00 0.00 34.13 32.44 1cx1 s GLU 6 CO 0.00 -0.03 2.42 0.28 0.95 0.00 0.00 175.26 178.88 1cx1 n VAL 7 N 3.94 -0.04 -3.23 1.83 0.31 -1.26 -4.87 118.33 115.00 1cx1 n VAL 7 Ca -0.24 -0.62 -0.44 0.00 -0.01 0.00 0.00 64.34 63.03 1cx1 n VAL 7 Cb 0.51 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.16 1cx1 n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1cx1 s GLU 8 N 8.54 3.06 0.25 5.55 2.56 -1.26 -4.09 118.70 133.32 1cx1 s GLU 8 Ca 1.00 -1.13 0.25 0.00 0.00 0.00 0.00 54.97 55.09 1cx1 s GLU 8 Cb -0.25 -4.14 0.70 0.00 2.00 0.00 0.00 34.13 32.44 1cx1 s GLU 8 CO 0.21 -1.21 1.73 -0.07 -0.56 0.00 0.00 175.26 175.36 1cx1 h LEU 9 N 9.40 0.00 -7.46 2.70 3.38 -1.89 -3.39 115.31 118.05 1cx1 h LEU 9 Ca -0.28 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.04 1cx1 h LEU 9 Cb 1.10 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.44 1cx1 h LEU 9 CO 0.96 0.00 -0.69 -0.22 0.09 0.00 0.00 178.44 178.59 1cx1 s LEU 10 N -4.85 4.21 0.00 1.67 1.98 -1.26 -4.95 118.68 115.47 1cx1 s LEU 10 Ca 0.10 -2.52 0.00 0.00 -2.89 0.00 0.00 54.13 48.82 1cx1 s LEU 10 Cb 0.11 -1.52 0.00 0.00 0.66 0.00 0.00 46.19 45.43 1cx1 s LEU 10 CO 0.62 -0.31 0.71 -0.81 -1.89 0.00 0.00 176.35 174.67 1cx1 n PRO 11 N 3.76 0.85 -3.84 0.98 -0.04 -1.26 -4.47 135.00 130.97 1cx1 n PRO 11 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1cx1 n PRO 11 Cb 0.37 -1.19 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.21 2.97 -0.39 0.54 2.46 -1.26 -4.92 115.29 114.48 1cx1 s HIS 12 Ca 0.00 -3.05 0.11 0.00 0.47 0.00 0.00 55.06 52.59 1cx1 s HIS 12 Cb 0.00 -2.45 0.44 0.00 -0.13 0.00 0.00 32.58 30.44 1cx1 s HIS 12 CO 0.00 -0.67 1.03 -2.37 -2.47 0.00 0.00 174.74 170.26 1cx1 n THR 13 N 2.64 1.74 -3.17 0.89 5.66 -1.26 -4.79 114.28 115.99 1cx1 n THR 13 Ca 0.14 -4.11 -0.24 0.00 -3.05 0.00 0.00 64.05 56.79 1cx1 n THR 13 Cb 0.35 -0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.28 2.68 -1.50 1.09 3.41 -1.26 -4.05 113.62 113.71 1cx1 n SER 14 Ca 0.25 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 1cx1 n SER 14 Cb 0.73 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.45 0.00 -0.09 7.33 3.01 -0.17 -3.50 117.46 124.49 1cx1 n PHE 15 Ca 0.28 -0.18 -0.22 0.00 1.01 0.00 0.00 57.45 58.33 1cx1 n PHE 15 Cb 0.48 -0.23 -0.12 0.00 -0.01 0.00 0.00 39.48 39.60 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 1.45 0.81 -1.35 4.37 0.00 -1.21 -3.77 120.51 120.81 1cx1 n ALA 16 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1cx1 n ALA 16 Cb 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -4.30 0.00 -2.63 0.00 -0.58 -1.23 -4.13 120.64 107.78 1cx1 n GLU 17 Ca -0.33 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.04 1cx1 n GLU 17 Cb 0.74 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.56 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1cx1 s SER 18 N -0.01 7.06 0.07 1.62 0.01 -1.26 -4.92 113.70 116.26 1cx1 s SER 18 Ca 0.00 1.99 -0.35 0.00 1.31 0.00 0.00 55.95 58.91 1cx1 s SER 18 Cb 0.00 -2.59 -0.20 0.00 0.21 0.00 0.00 66.02 63.44 1cx1 s SER 18 CO 0.00 -0.28 1.60 0.25 0.41 0.00 0.00 173.24 175.22 1cx1 h LEU 19 N 2.95 -0.91 0.00 2.44 5.85 -1.93 -3.42 115.31 120.30 1cx1 h LEU 19 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1cx1 h LEU 19 Cb 1.21 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1cx1 h LEU 19 CO 0.64 -0.64 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1cx1 n GLY 20 N -1.53 -0.11 0.00 3.75 0.00 -1.26 -4.70 105.19 101.34 1cx1 n GLY 20 Ca -0.15 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.64 0.34 0.00 1.61 -0.04 -1.26 -4.82 135.00 130.19 1cx1 n PRO 21 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1cx1 n PRO 21 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.30 -1.49 -3.75 0.54 7.02 -1.26 -5.00 117.44 112.20 1cx1 n TRP 22 Ca 0.12 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.47 1cx1 n TRP 22 Cb 0.21 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.96 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 -1.73 -0.17 0.01 -0.99 0.01 -0.42 -4.97 113.70 105.45 1cx1 s SER 23 Ca 0.00 0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 1cx1 s SER 23 Cb 0.00 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 1cx1 s SER 23 CO 0.00 -0.14 -0.00 -0.76 0.41 0.00 0.00 173.24 172.75 1cx1 s LEU 24 N 1.00 2.11 0.00 2.44 1.02 -1.26 -0.38 118.68 123.61 1cx1 s LEU 24 Ca -0.07 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1cx1 s LEU 24 Cb -0.09 0.17 0.00 0.00 0.02 0.00 0.00 46.19 46.29 1cx1 s LEU 24 CO -0.06 -0.28 0.00 0.00 0.02 0.00 0.00 176.35 176.04 1cx1 n TYR 25 N 1.73 0.00 0.00 0.29 0.18 -1.05 -5.00 117.16 113.31 1cx1 n TYR 25 Ca -0.23 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.55 1cx1 n TYR 25 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 1cx1 n TYR 25 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1cx1 n GLY 26 N 0.00 2.26 0.00 -7.48 0.00 -1.26 -2.08 105.19 96.63 1cx1 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N -1.27 0.00 -3.27 2.61 5.66 -1.25 -3.88 114.28 112.88 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 -0.02 6.73 -0.70 1.09 1.04 -1.24 -4.90 113.70 115.70 1cx1 s SER 28 Ca 0.00 0.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.11 1cx1 s SER 28 Cb 0.00 -2.31 -0.17 0.00 0.10 0.00 0.00 66.02 63.65 1cx1 s SER 28 CO 0.00 -0.02 1.82 -0.62 0.98 0.00 0.00 173.24 175.40 1cx1 n GLU 29 N 3.71 0.00 -1.46 4.02 1.02 -1.26 -4.51 120.64 122.16 1cx1 n GLU 29 Ca -0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1cx1 n GLU 29 Cb 0.52 -0.99 0.01 0.00 -0.02 0.00 0.00 31.44 30.95 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1cx1 n PRO 30 N 5.61 0.60 -3.92 3.49 -0.02 -1.26 -4.97 135.00 134.53 1cx1 n PRO 30 Ca 0.46 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 1cx1 n PRO 30 Cb 0.03 -1.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.50 1.22 -0.99 -1.45 1.01 -1.16 -4.92 120.40 112.61 1cx1 s VAL 31 Ca 0.64 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 1cx1 s VAL 31 Cb -0.58 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1cx1 s VAL 31 CO 0.58 0.22 1.61 0.72 0.00 0.00 0.00 175.10 178.22 1cx1 s PHE 32 N 1.60 2.31 0.00 5.22 -0.12 -1.26 -2.94 117.98 122.79 1cx1 s PHE 32 Ca 0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1cx1 s PHE 32 Cb -0.15 -4.50 0.00 0.00 -0.63 0.00 0.00 43.02 37.75 1cx1 s PHE 32 CO -0.08 -1.87 0.00 0.00 -0.05 0.00 0.00 175.22 173.22 1cx1 n ALA 33 N 10.47 0.00 0.69 1.99 0.00 0.38 -4.38 120.51 129.66 1cx1 n ALA 33 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1cx1 n ALA 33 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.27 0.00 0.00 9.92 -1.26 -4.26 116.55 121.22 1cx1 n ASP 34 Ca 0.00 -0.96 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 1cx1 n ASP 34 Cb 0.00 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 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 0.14 0.01 3.30 0.44 0.00 -1.26 -5.02 105.19 102.79 1cx1 n GLY 35 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N 0.00 1.47 -0.15 1.61 1.70 -1.26 -3.35 118.95 118.97 1cx1 s ARG 36 Ca 0.00 -1.07 -0.03 0.00 -0.47 0.00 0.00 55.73 54.15 1cx1 s ARG 36 Cb 0.00 -1.68 -0.03 0.00 -0.57 0.00 0.00 34.95 32.68 1cx1 s ARG 36 CO 0.00 0.42 -0.05 1.41 -1.08 0.00 0.00 175.30 176.00 1cx1 s MET 37 N -1.41 3.63 0.04 3.89 -2.45 0.29 0.14 119.30 123.42 1cx1 s MET 37 Ca 0.09 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 54.04 1cx1 s MET 37 Cb -0.09 -2.87 -0.02 0.00 1.25 0.00 0.00 34.83 33.09 1cx1 s MET 37 CO 0.03 0.23 -0.14 0.00 1.05 0.00 0.00 175.02 176.19 1cx1 s VAL 39 N -0.86 1.73 -0.02 0.00 -7.23 -1.11 -2.98 120.40 109.93 1cx1 s VAL 39 Ca 0.01 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1cx1 s VAL 39 Cb -0.08 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1cx1 s VAL 39 CO 0.01 0.00 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.93 1cx1 s ASP 40 N -3.97 0.88 -0.42 4.85 1.11 -1.26 -2.69 116.67 115.18 1cx1 s ASP 40 Ca 0.27 -0.13 0.10 0.00 0.18 0.00 0.00 52.55 52.97 1cx1 s ASP 40 Cb 0.02 -0.26 0.34 0.00 1.07 0.00 0.00 42.92 44.09 1cx1 s ASP 40 CO 0.15 0.02 0.76 0.18 1.18 0.00 0.00 175.17 177.46 1cx1 n LEU 41 N 3.43 1.57 0.00 1.23 7.99 -0.22 -3.66 117.00 127.34 1cx1 n LEU 41 Ca -0.19 -5.13 0.11 0.00 -0.01 0.00 0.00 56.01 50.79 1cx1 n LEU 41 Cb 0.54 0.43 -0.10 0.00 -0.11 0.00 0.00 43.42 44.18 1cx1 n LEU 41 CO 0.24 2.28 -0.31 -0.81 -1.51 0.00 0.00 177.39 177.29 1cx1 n PRO 42 N 0.27 0.34 0.00 3.23 -0.04 -1.25 -0.77 135.00 136.77 1cx1 n PRO 42 Ca 0.26 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1cx1 n PRO 42 Cb 0.59 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 43 N 1.37 -3.22 2.51 0.55 0.00 -1.17 -4.57 105.19 100.65 1cx1 n GLY 43 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 0.35 2.80 3.69 -0.02 0.00 -1.26 -4.28 105.19 106.46 1cx1 n GLY 44 Ca 0.00 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.56 4.12 -0.93 1.61 -0.21 -1.26 -4.82 119.66 117.62 1cx1 s GLN 45 Ca 0.31 -0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.47 1cx1 s GLN 45 Cb 0.04 -3.49 0.31 0.00 1.00 0.00 0.00 33.01 30.86 1cx1 s GLN 45 CO -0.18 0.15 1.43 0.41 -2.12 0.00 0.00 175.29 174.99 1cx1 n GLY 46 N 3.96 5.56 3.65 3.09 0.00 -1.26 -2.58 105.19 117.60 1cx1 n GLY 46 Ca -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 46.02 43.17 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 -1.98 -0.27 0.16 1.61 6.03 -1.26 -5.03 114.94 114.20 1cx1 s ASN 47 Ca 0.38 0.48 0.25 0.00 -1.03 0.00 0.00 52.86 52.93 1cx1 s ASN 47 Cb 0.15 0.79 0.92 0.00 -3.03 0.00 0.00 41.25 40.07 1cx1 s ASN 47 CO -0.03 -0.08 1.75 -0.81 -2.03 0.00 0.00 177.10 175.90 1cx1 n PRO 48 N 2.63 0.16 -1.62 3.55 -0.04 -1.26 -3.41 135.00 135.01 1cx1 n PRO 48 Ca -0.15 0.24 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 1cx1 n PRO 48 Cb 0.57 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cx1 n TRP 49 N -2.03 2.72 -1.92 0.54 4.27 -1.26 -4.17 117.44 115.60 1cx1 n TRP 49 Ca 0.05 -2.43 -0.19 0.00 -3.89 0.00 0.00 57.50 51.03 1cx1 n TRP 49 Cb 0.33 -0.77 0.06 0.00 -1.36 0.00 0.00 31.31 29.57 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1cx1 n ASP 50 N -0.84 4.40 0.00 -0.67 9.92 -1.22 -5.00 116.55 123.14 1cx1 n ASP 50 Ca 0.50 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1cx1 n ASP 50 Cb 0.88 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 51 N -0.79 0.00 0.00 2.24 0.00 -1.25 -3.87 120.51 116.83 1cx1 n ALA 51 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1cx1 n ALA 51 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.38 0.37 3.27 0.00 0.00 -0.89 -2.22 105.19 105.34 1cx1 n GLY 52 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 1cx1 n GLY 52 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cx1 s LEU 53 N 0.00 1.61 0.20 0.99 2.34 -1.12 -2.54 118.68 120.15 1cx1 s LEU 53 Ca 0.00 -1.34 -0.17 0.00 0.06 0.00 0.00 54.13 52.68 1cx1 s LEU 53 Cb 0.00 0.11 0.03 0.00 -0.56 0.00 0.00 46.19 45.76 1cx1 s LEU 53 CO 0.00 -0.73 0.52 0.54 -1.06 0.00 0.00 176.35 175.62 1cx1 s VAL 54 N -3.85 0.03 -0.30 1.48 0.11 0.49 -1.14 120.40 117.22 1cx1 s VAL 54 Ca 0.35 -0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 58.34 1cx1 s VAL 54 Cb 0.07 -1.59 0.19 0.00 -1.53 0.00 0.00 36.38 33.52 1cx1 s VAL 54 CO 0.11 -0.12 1.43 -0.47 -3.33 0.00 0.00 175.10 172.72 1cx1 s TYR 55 N -3.88 -0.05 0.00 1.54 5.04 -0.70 -1.30 117.35 118.00 1cx1 s TYR 55 Ca 0.10 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1cx1 s TYR 55 Cb -0.01 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.79 1cx1 s TYR 55 CO -0.03 -0.03 0.00 0.09 -1.34 0.00 0.00 175.55 174.25 1cx1 n ASN 56 N 1.41 0.00 -0.43 4.32 5.03 -1.26 -2.41 115.26 121.92 1cx1 n ASN 56 Ca -0.09 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.31 1cx1 n ASN 56 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.31 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 0.74 2.55 7.41 0.00 -1.26 -4.83 105.19 114.79 1cx1 n GLY 57 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.94 2.82 -1.27 1.61 0.31 -1.26 -4.81 118.33 112.79 1cx1 n VAL 58 Ca -0.05 -5.36 -0.31 0.00 -0.01 0.00 0.00 64.34 58.61 1cx1 n VAL 58 Cb 0.21 -2.00 0.10 0.00 -0.91 0.00 0.00 33.84 31.23 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cx1 s PRO 59 N -2.68 2.15 -0.17 5.55 0.04 -1.26 -3.89 135.00 134.74 1cx1 s PRO 59 Ca 0.40 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1cx1 s PRO 59 Cb 0.16 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.86 1cx1 s PRO 59 CO -0.02 -1.70 0.43 0.08 0.04 0.00 0.00 177.00 175.83 1cx1 s VAL 60 N -2.92 -0.02 -0.41 -0.36 1.01 -0.81 -4.99 120.40 111.91 1cx1 s VAL 60 Ca 0.61 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 1cx1 s VAL 60 Cb -0.17 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.67 1cx1 s VAL 60 CO 0.56 0.03 0.23 -0.83 0.00 0.00 0.00 175.10 175.09 1cx1 s GLY 61 N 1.14 1.96 -0.35 4.51 0.00 -1.26 -0.74 107.32 112.58 1cx1 s GLY 61 Ca -0.07 -2.20 -0.36 0.00 0.00 0.00 0.00 44.72 42.09 1cx1 s GLY 61 CO -0.10 0.96 1.19 -2.21 0.00 0.00 0.00 173.10 172.95 1cx1 n GLU 62 N 4.84 0.00 0.00 2.90 0.00 0.85 -2.12 120.64 127.11 1cx1 n GLU 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1cx1 n GLU 62 Cb 0.43 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.71 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 2.89 3.85 4.01 8.31 0.00 -0.02 -4.92 105.19 119.32 1cx1 n GLY 63 Ca 0.23 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 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 2.72 0.03 1.61 0.41 -0.90 -4.73 118.70 117.84 1cx1 s GLU 64 Ca 0.00 -1.32 0.07 0.00 -0.41 0.00 0.00 54.97 53.31 1cx1 s GLU 64 Cb 0.00 -2.74 -0.03 0.00 -1.78 0.00 0.00 34.13 29.58 1cx1 s GLU 64 CO 0.00 -0.39 -0.18 -1.12 -0.49 0.00 0.00 175.26 173.08 1cx1 s SER 65 N -4.41 3.78 0.56 -0.19 0.01 -1.26 0.18 113.70 112.37 1cx1 s SER 65 Ca 0.56 -0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1cx1 s SER 65 Cb -0.09 -0.61 0.05 0.00 0.21 0.00 0.00 66.02 65.58 1cx1 s SER 65 CO 0.34 0.26 0.48 -0.31 0.41 0.00 0.00 173.24 174.42 1cx1 s TYR 66 N -0.90 1.48 -0.12 2.43 1.51 -0.99 -4.83 117.35 115.93 1cx1 s TYR 66 Ca 0.14 -0.85 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 1cx1 s TYR 66 Cb -0.10 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1cx1 s TYR 66 CO 0.05 -0.64 0.37 0.08 -1.11 0.00 0.00 175.55 174.30 1cx1 s VAL 67 N -2.78 0.01 -0.15 0.71 1.01 -0.83 -2.82 120.40 115.55 1cx1 s VAL 67 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1cx1 s VAL 67 Cb -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1cx1 s VAL 67 CO 0.24 -0.04 -0.14 -0.22 0.00 0.00 0.00 175.10 174.93 1cx1 s LEU 68 N -0.07 1.68 -0.58 3.92 2.96 -1.10 -2.66 118.68 122.84 1cx1 s LEU 68 Ca -0.02 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1cx1 s LEU 68 Cb -0.03 -1.17 0.15 0.00 0.50 0.00 0.00 46.19 45.64 1cx1 s LEU 68 CO 0.01 -0.06 0.37 -0.55 -1.32 0.00 0.00 176.35 174.80 1cx1 s SER 69 N 1.49 4.85 0.13 3.68 0.15 -1.07 -2.79 113.70 120.14 1cx1 s SER 69 Ca 0.05 -2.94 -0.09 0.00 0.70 0.00 0.00 55.95 53.67 1cx1 s SER 69 Cb -0.13 -1.76 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 1cx1 s SER 69 CO -0.11 -0.31 0.43 0.72 1.20 0.00 0.00 173.24 175.18 1cx1 s PHE 70 N -0.19 3.52 -0.37 3.44 -0.71 -1.12 -1.20 117.98 121.36 1cx1 s PHE 70 Ca 0.17 0.75 -0.16 0.00 -1.04 0.00 0.00 56.93 56.66 1cx1 s PHE 70 Cb -0.23 -2.15 -0.00 0.00 -1.21 0.00 0.00 43.02 39.44 1cx1 s PHE 70 CO -0.02 0.44 0.38 0.95 -1.34 0.00 0.00 175.22 175.63 1cx1 s THR 71 N -1.57 5.15 -0.07 -4.49 -4.23 -1.03 -1.83 115.64 107.57 1cx1 s THR 71 Ca 0.39 -0.09 -0.31 0.00 -1.18 0.00 0.00 61.69 60.50 1cx1 s THR 71 Cb -0.13 -3.89 0.11 0.00 1.34 0.00 0.00 72.50 69.93 1cx1 s THR 71 CO 0.21 -0.19 1.36 0.00 -0.54 0.00 0.00 174.62 175.45 1cx1 s ALA 72 N 2.04 -2.61 0.03 3.99 0.00 -1.18 -2.98 121.76 121.06 1cx1 s ALA 72 Ca 0.12 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 1cx1 s ALA 72 Cb -0.17 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.75 1cx1 s ALA 72 CO 0.12 -1.14 0.51 -1.54 0.00 0.00 0.00 175.76 173.72 1cx1 s SER 73 N -3.64 -0.43 -0.09 0.00 1.04 -1.07 -3.63 113.70 105.88 1cx1 s SER 73 Ca 0.27 0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.75 1cx1 s SER 73 Cb 0.02 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1cx1 s SER 73 CO -0.03 -0.69 0.38 0.00 0.98 0.00 0.00 173.24 173.88 1cx1 s ALA 74 N -2.27 3.61 -0.14 5.32 0.00 -1.04 -2.99 121.76 124.25 1cx1 s ALA 74 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1cx1 s ALA 74 Cb -0.01 -2.44 0.04 0.00 0.00 0.00 0.00 23.12 20.71 1cx1 s ALA 74 CO -0.00 0.23 -0.01 0.95 0.00 0.00 0.00 175.76 176.93 1cx1 s THR 75 N -0.13 0.70 0.00 0.00 -4.23 -1.17 -3.44 115.64 107.38 1cx1 s THR 75 Ca 0.22 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1cx1 s THR 75 Cb -0.15 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1cx1 s THR 75 CO 0.09 0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.64 1cx1 n PRO 76 N 5.02 3.10 -3.36 3.99 -0.02 -1.26 -1.88 135.00 140.59 1cx1 n PRO 76 Ca -0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.08 1cx1 n PRO 76 Cb 0.49 0.00 -0.04 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 -1.71 6.55 0.00 2.55 1.11 -1.25 -4.52 116.67 119.40 1cx1 s ASP 77 Ca 0.00 0.85 0.00 0.00 0.18 0.00 0.00 52.55 53.58 1cx1 s ASP 77 Cb 0.00 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1cx1 s ASP 77 CO 0.00 -0.13 0.00 0.23 1.18 0.00 0.00 175.17 176.45 1cx1 n MET 78 N -0.48 0.00 -2.67 8.23 2.81 -0.11 -5.00 117.12 119.89 1cx1 n MET 78 Ca -0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.53 1cx1 n MET 78 Cb 0.53 0.00 -0.05 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 4.22 0.42 0.03 0.04 -1.26 -2.56 135.00 133.89 1cx1 s PRO 79 Ca 0.00 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.45 1cx1 s PRO 79 Cb 0.00 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1cx1 s PRO 79 CO 0.00 -0.06 0.19 0.14 0.04 0.00 0.00 177.00 177.31 1cx1 s VAL 80 N -1.84 2.24 0.11 -0.36 -7.23 -0.06 -4.89 120.40 108.38 1cx1 s VAL 80 Ca 0.59 -1.70 0.06 0.00 -1.81 0.00 0.00 61.98 59.12 1cx1 s VAL 80 Cb -0.17 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1cx1 s VAL 80 CO 0.22 0.00 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.86 1cx1 s ARG 81 N -3.92 2.44 -0.04 4.82 0.52 -0.87 -2.75 118.95 119.15 1cx1 s ARG 81 Ca 0.40 -0.94 -0.19 0.00 -0.52 0.00 0.00 55.73 54.48 1cx1 s ARG 81 Cb 0.04 -2.46 0.04 0.00 0.52 0.00 0.00 34.95 33.09 1cx1 s ARG 81 CO 0.22 0.51 0.42 0.08 0.02 0.00 0.00 175.30 176.55 1cx1 s VAL 82 N -1.40 0.04 -0.07 3.52 1.01 -0.95 -1.77 120.40 120.76 1cx1 s VAL 82 Ca 0.25 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1cx1 s VAL 82 Cb -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1cx1 s VAL 82 CO 0.18 -0.17 0.37 -1.48 0.00 0.00 0.00 175.10 174.00 1cx1 s LEU 83 N -1.14 0.59 0.02 3.92 0.05 -1.11 -2.97 118.68 118.04 1cx1 s LEU 83 Ca -0.12 0.43 -0.10 0.00 0.05 0.00 0.00 54.13 54.39 1cx1 s LEU 83 Cb -0.04 1.40 0.01 0.00 -2.05 0.00 0.00 46.19 45.51 1cx1 s LEU 83 CO 0.05 -0.33 0.20 -0.69 -0.55 0.00 0.00 176.35 175.03 1cx1 s VAL 84 N -0.68 0.09 -3.46 1.48 1.01 -1.05 -2.26 120.40 115.54 1cx1 s VAL 84 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1cx1 s VAL 84 Cb -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1cx1 s VAL 84 CO 0.03 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1cx1 n GLY 85 N 1.08 -0.56 3.99 4.51 0.00 -0.03 -2.67 105.19 111.51 1cx1 n GLY 85 Ca -0.21 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.64 1.38 -0.34 1.61 1.03 -1.26 -0.21 118.70 119.27 1cx1 s GLU 86 Ca 0.00 -1.08 0.16 0.00 0.03 0.00 0.00 54.97 54.08 1cx1 s GLU 86 Cb 0.00 -2.24 0.44 0.00 -0.80 0.00 0.00 34.13 31.53 1cx1 s GLU 86 CO 0.00 -1.70 1.08 0.41 -1.33 0.00 0.00 175.26 173.72 1cx1 n GLY 87 N -3.04 1.50 0.00 -3.83 0.00 -1.25 -4.62 105.19 93.95 1cx1 n GLY 87 Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.28 0.00 1.49 -0.02 0.00 -1.26 -4.71 105.19 100.41 1cx1 n GLY 88 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.05 0.00 -0.02 0.00 -1.26 -3.70 105.19 100.16 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 -2.55 0.85 -0.18 4.61 0.00 -1.26 -4.98 120.51 117.01 1cx1 n ALA 90 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 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 -0.15 0.00 -2.90 0.00 4.01 -1.26 -4.92 117.16 111.94 1cx1 n TYR 91 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1cx1 n TYR 91 Cb 0.09 -0.65 -0.05 0.00 -0.31 0.00 0.00 39.34 38.42 1cx1 n TYR 91 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1cx1 s ARG 92 N -0.15 3.69 0.27 -0.72 0.52 -1.26 -4.99 118.95 116.31 1cx1 s ARG 92 Ca 0.00 0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 1cx1 s ARG 92 Cb 0.00 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 1cx1 s ARG 92 CO 0.00 -0.97 0.27 -0.08 0.02 0.00 0.00 175.30 174.53 1cx1 s THR 93 N 3.33 4.39 -0.06 0.02 -1.32 -1.26 -4.67 115.64 116.07 1cx1 s THR 93 Ca 0.34 -1.29 0.08 0.00 -1.21 0.00 0.00 61.69 59.61 1cx1 s THR 93 Cb -0.12 -3.45 -0.13 0.00 -1.51 0.00 0.00 72.50 67.30 1cx1 s THR 93 CO 0.20 -0.30 0.21 0.00 -2.21 0.00 0.00 174.62 172.52 1cx1 n ALA 94 N -1.30 2.41 -0.63 11.08 0.00 -1.25 -4.52 120.51 126.31 1cx1 n ALA 94 Ca -0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1cx1 n ALA 94 Cb 0.58 -0.29 0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.71 1.71 -1.05 0.00 -0.00 -1.09 -4.71 117.46 110.61 1cx1 n PHE 95 Ca -0.01 -1.73 -0.28 0.00 -0.00 0.00 0.00 57.45 55.43 1cx1 n PHE 95 Cb 0.21 -0.85 -0.05 0.00 -0.00 0.00 0.00 39.48 38.78 1cx1 n PHE 95 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1cx1 n GLU 96 N -0.05 2.82 -3.72 -4.13 0.28 -1.26 -2.51 120.64 112.06 1cx1 n GLU 96 Ca 0.33 -1.70 -0.35 0.00 -0.16 0.00 0.00 57.16 55.28 1cx1 n GLU 96 Cb 0.82 -2.51 -0.08 0.00 1.43 0.00 0.00 31.44 31.09 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1cx1 s GLN 97 N 2.33 4.18 0.00 3.44 2.00 -1.16 -4.94 119.66 125.51 1cx1 s GLN 97 Ca 0.59 -0.23 0.01 0.00 -2.00 0.00 0.00 55.36 53.73 1cx1 s GLN 97 Cb 0.18 -3.43 -0.01 0.00 0.80 0.00 0.00 33.01 30.55 1cx1 s GLN 97 CO -0.04 0.28 0.04 0.41 -0.50 0.00 0.00 175.29 175.48 1cx1 n GLY 98 N 3.60 0.90 3.33 2.59 0.00 -1.26 -2.25 105.19 112.10 1cx1 n GLY 98 Ca -0.16 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.01 4.65 -3.97 1.61 7.64 -1.26 -4.02 113.62 117.27 1cx1 n SER 99 Ca 0.00 -2.90 -0.31 0.00 1.01 0.00 0.00 58.87 56.67 1cx1 n SER 99 Cb 0.01 -1.72 -0.12 0.00 -1.01 0.00 0.00 64.21 61.38 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 100 N 3.81 3.65 0.10 -0.43 0.00 -1.11 -4.98 121.76 122.80 1cx1 s ALA 100 Ca 0.52 -3.55 -0.34 0.00 0.00 0.00 0.00 51.96 48.58 1cx1 s ALA 100 Cb 0.07 -2.31 -0.13 0.00 0.00 0.00 0.00 23.12 20.74 1cx1 s ALA 100 CO 0.03 -2.08 1.67 -2.30 0.00 0.00 0.00 175.76 173.09 1cx1 n PRO 101 N 2.64 2.22 -3.73 0.00 -0.02 -1.26 -0.88 135.00 133.97 1cx1 n PRO 101 Ca 0.13 0.81 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1cx1 n PRO 101 Cb 0.34 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.07 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 1.81 0.63 0.00 2.45 1.43 -1.06 -4.89 118.68 119.05 1cx1 s LEU 102 Ca 0.82 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1cx1 s LEU 102 Cb -0.66 0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1cx1 s LEU 102 CO 0.41 -0.17 0.00 1.07 0.23 0.00 0.00 176.35 177.89 1cx1 n THR 103 N 4.48 0.00 0.29 5.49 5.66 -1.26 -0.94 114.28 128.00 1cx1 n THR 103 Ca -0.21 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.73 1cx1 n THR 103 Cb 0.51 -0.42 0.03 0.00 -1.55 0.00 0.00 70.33 68.90 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 2.66 3.16 1.09 0.00 -1.22 -2.49 105.19 113.39 1cx1 n GLY 104 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.71 2.46 -0.33 1.61 2.02 -1.26 -5.01 118.70 117.47 1cx1 s GLU 105 Ca 0.12 -2.06 -0.41 0.00 0.02 0.00 0.00 54.97 52.64 1cx1 s GLU 105 Cb 0.10 -3.82 -0.16 0.00 0.10 0.00 0.00 34.13 30.36 1cx1 s GLU 105 CO 0.02 -1.16 1.81 -2.30 0.02 0.00 0.00 175.26 173.64 1cx1 n PRO 106 N 4.33 0.94 -3.71 0.39 -0.02 -1.26 -4.88 135.00 130.78 1cx1 n PRO 106 Ca 0.00 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1cx1 n PRO 106 Cb 0.41 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cx1 s ALA 107 N 4.10 -1.82 0.13 3.55 0.00 -1.24 -5.04 121.76 121.45 1cx1 s ALA 107 Ca 1.02 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 1cx1 s ALA 107 Cb -1.13 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1cx1 s ALA 107 CO 0.66 -1.04 0.55 0.95 0.00 0.00 0.00 175.76 176.87 1cx1 s THR 108 N -3.04 4.84 -0.17 0.00 -4.23 -1.26 -3.08 115.64 108.71 1cx1 s THR 108 Ca 0.13 0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 61.47 1cx1 s THR 108 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1cx1 s THR 108 CO 0.00 0.31 0.05 -0.13 -0.54 0.00 0.00 174.62 174.32 1cx1 s ARG 109 N -1.77 3.82 -0.44 3.99 3.00 -0.76 -4.91 118.95 121.89 1cx1 s ARG 109 Ca 0.36 -0.35 0.02 0.00 0.00 0.00 0.00 55.73 55.75 1cx1 s ARG 109 Cb -0.16 -3.15 0.12 0.00 0.00 0.00 0.00 34.95 31.76 1cx1 s ARG 109 CO 0.19 0.35 0.19 -2.00 0.00 0.00 0.00 175.30 174.03 1cx1 s GLU 110 N 0.14 1.87 -0.26 3.54 2.12 -1.25 -2.80 118.70 122.07 1cx1 s GLU 110 Ca 0.04 -2.15 -0.06 0.00 0.36 0.00 0.00 54.97 53.17 1cx1 s GLU 110 Cb -0.12 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.87 1cx1 s GLU 110 CO 0.01 -1.05 0.03 0.71 -0.54 0.00 0.00 175.26 174.43 1cx1 s TYR 111 N 0.52 3.08 0.47 5.30 2.02 -1.12 -4.88 117.35 122.74 1cx1 s TYR 111 Ca 0.13 -0.91 0.05 0.00 -0.37 0.00 0.00 57.07 55.97 1cx1 s TYR 111 Cb -0.22 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1cx1 s TYR 111 CO -0.05 -0.54 0.14 0.00 -1.57 0.00 0.00 175.55 173.54 1cx1 s ALA 112 N 1.50 3.84 0.38 3.71 0.00 -1.26 -2.69 121.76 127.23 1cx1 s ALA 112 Ca 0.04 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 1cx1 s ALA 112 Cb -0.16 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1cx1 s ALA 112 CO 0.01 -0.17 0.66 -0.59 0.00 0.00 0.00 175.76 175.66 1cx1 s PHE 113 N -2.74 0.57 -0.39 0.00 -0.71 -1.13 -4.95 117.98 108.63 1cx1 s PHE 113 Ca 0.28 -1.05 -0.08 0.00 -1.04 0.00 0.00 56.93 55.04 1cx1 s PHE 113 Cb 0.03 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 42.34 1cx1 s PHE 113 CO 0.16 -1.40 0.20 0.95 -1.34 0.00 0.00 175.22 173.78 1cx1 s THR 114 N -2.54 4.08 -0.40 -4.49 -4.23 -1.26 -2.35 115.64 104.45 1cx1 s THR 114 Ca 0.22 -1.28 -0.37 0.00 -1.18 0.00 0.00 61.69 59.08 1cx1 s THR 114 Cb -0.03 -3.43 -0.16 0.00 1.34 0.00 0.00 72.50 70.22 1cx1 s THR 114 CO 0.16 -0.38 1.43 -0.24 -0.54 0.00 0.00 174.62 175.05 1cx1 n SER 115 N 4.88 0.85 -0.13 3.99 2.88 0.46 -4.78 113.62 121.77 1cx1 n SER 115 Ca -0.11 0.82 -0.27 0.00 -1.33 0.00 0.00 58.87 57.98 1cx1 n SER 115 Cb 0.44 -0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 63.08 1cx1 n SER 115 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1cx1 n ASN 116 N 4.17 1.93 -1.20 -3.46 3.02 -1.26 -0.84 115.26 117.62 1cx1 n ASN 116 Ca 0.31 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1cx1 n ASN 116 Cb -0.04 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.31 0.00 -4.46 3.41 4.77 -1.26 -4.62 117.00 110.53 1cx1 n LEU 117 Ca -0.46 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.17 1cx1 n LEU 117 Cb 0.81 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.78 1cx1 n LEU 117 CO 0.08 -0.11 -0.32 0.42 -1.33 0.00 0.00 177.39 176.13 1cx1 s THR 118 N 0.37 4.04 -0.42 -5.08 -4.23 -1.26 -0.10 115.64 108.95 1cx1 s THR 118 Ca 0.00 -0.28 0.09 0.00 -1.18 0.00 0.00 61.69 60.32 1cx1 s THR 118 Cb 0.00 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.30 1cx1 s THR 118 CO 0.00 0.42 0.64 0.49 -0.54 0.00 0.00 174.62 175.63 1cx1 n PHE 119 N 4.24 0.44 -1.18 3.99 3.72 0.09 -4.97 117.46 123.78 1cx1 n PHE 119 Ca -0.17 -3.73 -0.29 0.00 -0.05 0.00 0.00 57.45 53.21 1cx1 n PHE 119 Cb 0.52 -0.40 0.16 0.00 -0.94 0.00 0.00 39.48 38.81 1cx1 n PHE 119 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1cx1 s PRO 120 N -1.85 0.88 0.43 -1.08 0.04 -1.26 -1.92 135.00 130.23 1cx1 s PRO 120 Ca 0.38 0.70 0.23 0.00 0.04 0.00 0.00 61.00 62.35 1cx1 s PRO 120 Cb 0.24 -1.78 0.37 0.00 0.04 0.00 0.00 34.50 33.37 1cx1 s PRO 120 CO -0.09 -2.47 1.62 -1.00 0.04 0.00 0.00 177.00 175.10 1cx1 h PRO 121 N -1.71 0.00 -4.74 0.56 0.13 -1.91 -3.40 132.00 120.93 1cx1 h PRO 121 Ca -0.52 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.93 1cx1 h PRO 121 Cb 1.30 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.15 1cx1 h PRO 121 CO 0.56 0.00 -0.63 0.16 -0.23 0.00 0.00 178.00 177.85 1cx1 s ASP 122 N -6.10 5.13 0.00 1.44 1.47 -1.26 -4.49 116.67 112.85 1cx1 s ASP 122 Ca 0.07 -1.01 0.00 0.00 1.18 0.00 0.00 52.55 52.79 1cx1 s ASP 122 Cb 0.05 -1.84 0.00 0.00 -0.34 0.00 0.00 42.92 40.80 1cx1 s ASP 122 CO 0.67 -0.26 0.00 0.61 0.68 0.00 0.00 175.17 176.86 1cx1 n GLY 123 N 4.79 -0.25 0.00 2.12 0.00 -1.26 -5.01 105.19 105.59 1cx1 n GLY 123 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -4.27 1.61 -0.08 -1.26 -4.84 116.55 107.71 1cx1 n ASP 124 Ca 0.00 0.53 -0.23 0.00 -1.51 0.00 0.00 54.79 53.58 1cx1 n ASP 124 Cb 0.00 -0.03 -0.12 0.00 2.34 0.00 0.00 41.12 43.30 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cx1 s ALA 125 N -2.17 1.71 1.00 -1.67 0.00 -1.24 -4.92 121.76 114.47 1cx1 s ALA 125 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1cx1 s ALA 125 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1cx1 s ALA 125 CO 0.00 0.34 0.00 -0.35 0.00 0.00 0.00 175.76 175.75 1cx1 n PRO 126 N 1.15 1.29 -0.77 0.00 -0.04 -1.26 -4.59 135.00 130.77 1cx1 n PRO 126 Ca -0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1cx1 n PRO 126 Cb 0.54 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.23 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 -0.82 1.53 -0.19 0.55 0.00 -1.26 -3.79 107.32 103.33 1cx1 s GLY 127 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1cx1 s GLY 127 CO 0.00 0.33 0.31 1.62 0.00 0.00 0.00 173.10 175.36 1cx1 s GLN 128 N -4.82 0.25 -0.03 2.90 0.74 0.70 -4.36 119.66 115.03 1cx1 s GLN 128 Ca 0.68 0.59 0.02 0.00 0.05 0.00 0.00 55.36 56.70 1cx1 s GLN 128 Cb -0.19 -0.41 0.01 0.00 1.10 0.00 0.00 33.01 33.51 1cx1 s GLN 128 CO 0.61 -0.49 -0.07 0.54 -0.55 0.00 0.00 175.29 175.33 1cx1 s VAL 129 N 2.46 0.66 -0.21 1.34 0.11 -1.01 -0.86 120.40 122.90 1cx1 s VAL 129 Ca 0.06 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1cx1 s VAL 129 Cb -0.14 -0.62 0.10 0.00 -1.53 0.00 0.00 36.38 34.19 1cx1 s VAL 129 CO -0.12 0.22 0.45 0.00 -3.33 0.00 0.00 175.10 172.32 1cx1 s ALA 130 N 0.41 -1.27 -0.23 1.54 0.00 -0.96 -1.72 121.76 119.53 1cx1 s ALA 130 Ca -0.06 1.60 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 1cx1 s ALA 130 Cb -0.10 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 1cx1 s ALA 130 CO 0.00 -0.78 0.87 -0.06 0.00 0.00 0.00 175.76 175.79 1cx1 s PHE 131 N 2.65 3.33 -0.33 0.00 0.40 -0.29 -2.74 117.98 121.00 1cx1 s PHE 131 Ca -0.02 1.22 -0.13 0.00 -0.60 0.00 0.00 56.93 57.40 1cx1 s PHE 131 Cb -0.12 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 1cx1 s PHE 131 CO -0.14 -0.39 0.25 -1.01 0.70 0.00 0.00 175.22 174.63 1cx1 s HIS 132 N 2.80 3.23 -0.20 0.36 3.76 -0.73 -2.81 115.29 121.70 1cx1 s HIS 132 Ca 0.37 -0.14 0.23 0.00 -0.15 0.00 0.00 55.06 55.37 1cx1 s HIS 132 Cb -0.15 -2.48 0.49 0.00 1.11 0.00 0.00 32.58 31.54 1cx1 s HIS 132 CO 0.08 -0.34 1.13 1.28 -0.85 0.00 0.00 174.74 176.04 1cx1 n LEU 133 N 5.13 1.65 -4.52 0.89 4.32 -0.94 -2.05 117.00 121.49 1cx1 n LEU 133 Ca -0.12 -2.90 -0.43 0.00 -0.02 0.00 0.00 56.01 52.54 1cx1 n LEU 133 Cb 0.50 0.30 -0.07 0.00 -1.62 0.00 0.00 43.42 42.53 1cx1 n LEU 133 CO 0.37 0.97 0.33 -0.83 -1.22 0.00 0.00 177.39 177.01 1cx1 s GLY 134 N -3.36 1.75 -0.27 -0.72 0.00 -1.23 -4.60 107.32 98.89 1cx1 s GLY 134 Ca 0.30 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 1cx1 s GLY 134 CO -0.07 1.46 0.70 0.54 0.00 0.00 0.00 173.10 175.73 1cx1 s LYS 135 N 2.68 0.76 0.54 2.90 1.02 -1.26 -4.24 119.74 122.14 1cx1 s LYS 135 Ca 0.21 1.11 0.16 0.00 0.02 0.00 0.00 55.97 57.47 1cx1 s LYS 135 Cb -0.15 0.27 0.56 0.00 -0.52 0.00 0.00 37.83 38.00 1cx1 s LYS 135 CO 0.18 -0.13 1.05 0.00 -0.92 0.00 0.00 175.35 175.53 1cx1 n ALA 136 N 3.53 0.62 -1.99 5.17 0.00 -1.07 0.25 120.51 127.01 1cx1 n ALA 136 Ca -0.17 0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1cx1 n ALA 136 Cb 0.57 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.53 1.77 0.00 0.00 0.00 -1.11 -3.06 105.19 101.27 1cx1 n GLY 137 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.15 0.97 -0.42 4.61 0.00 0.69 -4.83 120.51 121.37 1cx1 n ALA 138 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1cx1 n ALA 138 Cb 0.84 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.47 -0.96 -3.66 0.00 0.18 -1.01 -4.65 117.16 106.59 1cx1 n TYR 139 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1cx1 n TYR 139 Cb 0.00 0.11 -0.02 0.00 -0.38 0.00 0.00 39.34 39.05 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 3.47 -0.29 -3.48 2.02 -0.79 -1.05 118.70 118.58 1cx1 s GLU 140 Ca 0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.47 1cx1 s GLU 140 Cb 0.00 -2.77 0.09 0.00 0.10 0.00 0.00 34.13 31.55 1cx1 s GLU 140 CO 0.00 0.29 0.06 0.12 0.02 0.00 0.00 175.26 175.75 1cx1 s PHE 141 N -2.14 1.99 -0.26 1.61 5.36 -1.09 -3.04 117.98 120.41 1cx1 s PHE 141 Ca 0.37 -1.80 -0.23 0.00 -0.96 0.00 0.00 56.93 54.31 1cx1 s PHE 141 Cb -0.09 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1cx1 s PHE 141 CO 0.32 -0.84 0.75 0.00 -1.46 0.00 0.00 175.22 173.99 1cx1 s ILE 143 N 2.75 0.76 0.00 0.00 2.07 0.24 -2.58 121.20 124.44 1cx1 s ILE 143 Ca 0.31 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 1cx1 s ILE 143 Cb -0.15 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.73 1cx1 s ILE 143 CO 0.09 -0.04 0.00 -1.54 -1.91 0.00 0.00 174.94 171.54 1cx1 n SER 144 N 2.16 0.13 -3.87 4.50 3.41 -1.16 0.10 113.62 118.88 1cx1 n SER 144 Ca -0.17 -0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 1cx1 n SER 144 Cb 0.56 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.18 1.59 -0.15 4.33 -0.21 -1.26 -1.00 119.66 122.77 1cx1 s GLN 145 Ca 0.00 -1.05 -0.09 0.00 0.02 0.00 0.00 55.36 54.25 1cx1 s GLN 145 Cb 0.00 0.54 0.05 0.00 1.00 0.00 0.00 33.01 34.60 1cx1 s GLN 145 CO 0.00 -0.69 0.37 0.54 -2.12 0.00 0.00 175.29 173.39 1cx1 s VAL 146 N -3.94 -0.03 0.12 1.09 0.11 -1.26 -2.48 120.40 114.02 1cx1 s VAL 146 Ca 0.15 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.38 1cx1 s VAL 146 Cb -0.03 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1cx1 s VAL 146 CO 0.05 0.04 -0.16 -0.55 -3.33 0.00 0.00 175.10 171.15 1cx1 s SER 147 N 1.24 4.00 -0.28 3.54 0.15 -0.34 -4.63 113.70 117.38 1cx1 s SER 147 Ca -0.08 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 1cx1 s SER 147 Cb -0.08 -0.61 0.15 0.00 -1.71 0.00 0.00 66.02 63.78 1cx1 s SER 147 CO -0.10 0.17 0.56 -0.22 1.20 0.00 0.00 173.24 174.85 1cx1 s LEU 148 N -2.20 -1.13 0.00 3.45 2.96 -1.26 -2.60 118.68 117.90 1cx1 s LEU 148 Ca 0.19 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1cx1 s LEU 148 Cb -0.11 1.97 0.00 0.00 0.50 0.00 0.00 46.19 48.55 1cx1 s LEU 148 CO 0.11 -0.25 0.00 1.07 -1.32 0.00 0.00 176.35 175.96 1cx1 n THR 149 N 5.42 0.00 0.00 3.68 5.66 -1.09 -3.94 114.28 124.02 1cx1 n THR 149 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1cx1 n THR 149 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1cx1 n THR 149 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1cx1 n THR 150 N 0.00 0.00 -3.41 1.09 5.66 -1.26 -1.97 114.28 114.39 1cx1 n THR 150 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1cx1 n THR 150 Cb 0.00 -0.18 0.07 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.82 -4.40 0.00 1.09 7.64 -1.26 -4.69 113.62 110.18 1cx1 n SER 151 Ca 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1cx1 n SER 151 Cb 0.11 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.45 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 n ALA 152 N -3.74 0.00 -0.09 -0.43 0.00 -1.26 -4.34 120.51 110.65 1cx1 n ALA 152 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1cx1 n ALA 152 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91