#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx1 n SER 2 N 0.00 0.00 0.00 0.00 7.64 -1.26 -4.76 113.62 115.23 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cx1 n SER 2 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cx1 n LEU 3 N 0.00 0.00 -1.08 -3.43 7.99 -1.26 -4.46 117.00 114.76 1cx1 n LEU 3 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.97 1cx1 n LEU 3 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1cx1 n LEU 3 CO 0.00 0.00 -0.03 0.47 -1.51 0.00 0.00 177.39 176.32 1cx1 n ASP 4 N -3.69 -0.73 0.00 -1.43 8.00 -1.26 -4.56 116.55 112.87 1cx1 n ASP 4 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1cx1 n ASP 4 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1cx1 n SER 5 N 0.69 0.00 -2.87 -2.24 2.88 -1.26 -5.13 113.62 105.69 1cx1 n SER 5 Ca -0.03 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1cx1 n SER 5 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1cx1 s GLU 6 N 1.40 0.35 0.30 -1.46 1.03 -1.26 -5.02 118.70 114.04 1cx1 s GLU 6 Ca 0.00 -0.12 -0.26 0.00 0.03 0.00 0.00 54.97 54.62 1cx1 s GLU 6 Cb 0.00 0.04 -0.15 0.00 -0.80 0.00 0.00 34.13 33.22 1cx1 s GLU 6 CO 0.00 -0.50 0.55 0.28 -1.33 0.00 0.00 175.26 174.26 1cx1 n VAL 7 N 3.83 1.73 -3.79 1.83 0.31 -1.26 -4.87 118.33 116.11 1cx1 n VAL 7 Ca 0.07 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.61 1cx1 n VAL 7 Cb 0.62 -0.30 -0.13 0.00 -0.91 0.00 0.00 33.84 33.12 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 -1.22 1.75 0.39 5.55 2.56 -1.26 -3.68 118.70 122.79 1cx1 s GLU 8 Ca 0.62 -2.55 0.07 0.00 0.00 0.00 0.00 54.97 53.11 1cx1 s GLU 8 Cb -0.77 -2.79 0.80 0.00 2.00 0.00 0.00 34.13 33.37 1cx1 s GLU 8 CO 0.58 -1.21 2.00 -0.07 -0.56 0.00 0.00 175.26 176.01 1cx1 h LEU 9 N 6.18 0.44 -7.80 2.70 4.07 -1.92 -3.33 115.31 115.65 1cx1 h LEU 9 Ca 0.05 -0.04 -0.72 0.00 0.08 0.00 0.00 57.88 57.25 1cx1 h LEU 9 Cb 0.87 -0.11 -0.31 0.00 1.08 0.00 0.00 40.66 42.18 1cx1 h LEU 9 CO 0.59 0.39 -0.32 -0.22 -1.08 0.00 0.00 178.44 177.80 1cx1 s LEU 10 N -9.30 5.68 0.00 1.67 1.98 -1.26 -4.96 118.68 112.49 1cx1 s LEU 10 Ca -0.08 -2.35 -0.03 0.00 -2.89 0.00 0.00 54.13 48.78 1cx1 s LEU 10 Cb 0.17 -1.98 -0.15 0.00 0.66 0.00 0.00 46.19 44.89 1cx1 s LEU 10 CO 0.74 -0.56 2.33 -0.81 -1.89 0.00 0.00 176.35 176.16 1cx1 n PRO 11 N 4.28 1.18 -3.69 0.98 -0.04 -1.25 -4.71 135.00 131.75 1cx1 n PRO 11 Ca 0.01 -0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1cx1 n PRO 11 Cb 0.41 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 1.67 -0.68 -0.39 0.54 5.04 -1.26 -5.06 115.29 115.14 1cx1 s HIS 12 Ca 0.38 1.42 0.05 0.00 -1.54 0.00 0.00 55.06 55.37 1cx1 s HIS 12 Cb 0.18 0.32 0.31 0.00 0.04 0.00 0.00 32.58 33.43 1cx1 s HIS 12 CO 0.00 -0.38 1.24 -2.37 -2.34 0.00 0.00 174.74 170.89 1cx1 n THR 13 N 4.33 0.00 -2.94 0.89 5.66 -1.26 -4.71 114.28 116.25 1cx1 n THR 13 Ca -0.22 -1.13 -0.15 0.00 -3.05 0.00 0.00 64.05 59.51 1cx1 n THR 13 Cb 0.55 1.20 0.01 0.00 -1.55 0.00 0.00 70.33 70.54 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 14 N 0.19 -1.43 -1.88 1.09 2.88 -1.24 -3.81 113.62 109.42 1cx1 n SER 14 Ca -0.03 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1cx1 n SER 14 Cb 0.73 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1cx1 n PHE 15 N 1.29 0.00 0.04 0.66 3.01 -0.70 -3.55 117.46 118.21 1cx1 n PHE 15 Ca 0.14 -0.13 -0.18 0.00 1.01 0.00 0.00 57.45 58.29 1cx1 n PHE 15 Cb 0.61 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.66 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 h ALA 16 N 3.51 0.36 0.00 4.37 0.00 -1.76 -3.29 119.26 122.45 1cx1 h ALA 16 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.63 1cx1 h ALA 16 Cb 0.13 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cx1 h ALA 16 CO 0.00 1.22 -0.69 0.39 0.00 0.00 0.00 179.25 180.17 1cx1 n GLU 17 N -3.43 0.23 -4.54 0.00 -0.58 -1.23 -4.33 120.64 106.74 1cx1 n GLU 17 Ca -0.22 0.09 -0.22 0.00 -0.42 0.00 0.00 57.16 56.39 1cx1 n GLU 17 Cb 1.05 -0.89 -0.14 0.00 -0.57 0.00 0.00 31.44 30.89 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 -5.98 1.89 0.40 1.62 1.04 -1.26 -4.90 113.70 106.51 1cx1 s SER 18 Ca -0.13 -0.41 0.21 0.00 0.48 0.00 0.00 55.95 56.10 1cx1 s SER 18 Cb 0.03 -0.16 1.12 0.00 0.10 0.00 0.00 66.02 67.11 1cx1 s SER 18 CO 0.18 0.12 1.59 0.17 0.98 0.00 0.00 173.24 176.28 1cx1 h LEU 19 N 5.21 0.00 0.00 2.42 -0.00 -1.90 -3.40 115.31 117.64 1cx1 h LEU 19 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1cx1 h LEU 19 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1cx1 h LEU 19 CO 0.46 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.51 1cx1 n GLY 20 N -1.26 -0.88 0.03 0.17 0.00 -1.26 -3.90 105.19 98.09 1cx1 n GLY 20 Ca -0.01 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1cx1 n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cx1 n PRO 21 N 0.00 0.08 0.00 1.61 -0.04 -1.26 -4.83 135.00 130.56 1cx1 n PRO 21 Ca 0.00 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1cx1 n PRO 21 Cb 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.74 -1.40 -3.69 0.54 7.02 -1.25 -4.95 117.44 111.98 1cx1 n TRP 22 Ca 0.06 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.44 1cx1 n TRP 22 Cb 0.34 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.20 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 -1.74 -0.31 -0.03 -0.99 0.01 -0.67 -4.96 113.70 105.01 1cx1 s SER 23 Ca 0.00 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1cx1 s SER 23 Cb 0.00 0.59 0.11 0.00 0.21 0.00 0.00 66.02 66.92 1cx1 s SER 23 CO 0.00 -1.05 0.94 -1.48 0.41 0.00 0.00 173.24 172.06 1cx1 s LEU 24 N -2.85 -0.33 0.00 2.44 0.05 -1.26 -0.79 118.68 115.94 1cx1 s LEU 24 Ca 0.08 -0.00 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1cx1 s LEU 24 Cb -0.01 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 1cx1 s LEU 24 CO -0.04 -0.57 0.00 0.00 -0.55 0.00 0.00 176.35 175.19 1cx1 n TYR 25 N -0.22 0.00 0.00 3.48 0.18 -1.14 -5.01 117.16 114.45 1cx1 n TYR 25 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 1cx1 n TYR 25 Cb 0.61 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 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 -0.65 3.13 0.00 -7.48 0.00 -1.26 -2.32 105.19 96.61 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 -1.31 0.00 -3.28 2.61 5.66 -1.21 -4.01 114.28 112.74 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 6.73 -0.77 1.09 1.04 -1.26 -4.91 113.70 115.60 1cx1 s SER 28 Ca 0.00 0.87 -0.25 0.00 0.48 0.00 0.00 55.95 57.05 1cx1 s SER 28 Cb 0.00 -2.30 -0.17 0.00 0.10 0.00 0.00 66.02 63.64 1cx1 s SER 28 CO 0.00 -0.01 2.11 -1.84 0.98 0.00 0.00 173.24 174.48 1cx1 n GLU 29 N 3.65 0.00 -1.19 4.02 0.00 -1.26 -4.49 120.64 121.37 1cx1 n GLU 29 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.73 1cx1 n GLU 29 Cb 0.52 -1.19 0.05 0.00 0.00 0.00 0.00 31.44 30.82 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1cx1 n PRO 30 N 6.68 0.14 -3.68 3.44 -0.02 -1.26 -4.98 135.00 135.33 1cx1 n PRO 30 Ca 0.52 0.07 -0.23 0.00 -2.02 0.00 0.00 63.50 61.84 1cx1 n PRO 30 Cb 0.02 -1.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.97 0.06 -1.14 -1.45 1.01 -1.14 -4.93 120.40 110.85 1cx1 s VAL 31 Ca 0.58 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 1cx1 s VAL 31 Cb -0.35 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 31 CO 0.65 0.00 1.73 0.72 0.00 0.00 0.00 175.10 178.20 1cx1 s PHE 32 N 2.09 2.40 0.00 5.22 -0.12 -1.26 -2.98 117.98 123.33 1cx1 s PHE 32 Ca 0.03 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1cx1 s PHE 32 Cb -0.14 -4.49 0.00 0.00 -0.63 0.00 0.00 43.02 37.76 1cx1 s PHE 32 CO -0.06 -1.71 0.00 0.00 -0.05 0.00 0.00 175.22 173.40 1cx1 n ALA 33 N 10.55 0.00 -0.26 1.99 0.00 0.22 -4.46 120.51 128.55 1cx1 n ALA 33 Ca 0.42 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 1cx1 n ALA 33 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 1cx1 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cx1 n ASP 34 N 0.00 0.37 0.00 0.00 -0.08 -1.26 -3.64 116.55 111.94 1cx1 n ASP 34 Ca 0.00 -2.08 0.00 0.00 -1.51 0.00 0.00 54.79 51.20 1cx1 n ASP 34 Cb 0.00 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cx1 n GLY 35 N 4.32 0.12 3.20 0.27 0.00 -1.26 -4.94 105.19 106.90 1cx1 n GLY 35 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N -1.46 1.22 -0.15 1.61 1.70 -1.24 -3.37 118.95 117.26 1cx1 s ARG 36 Ca 0.00 -0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 54.41 1cx1 s ARG 36 Cb 0.00 -1.28 -0.03 0.00 -0.57 0.00 0.00 34.95 33.08 1cx1 s ARG 36 CO 0.00 0.33 -0.05 1.41 -1.08 0.00 0.00 175.30 175.90 1cx1 s MET 37 N -1.05 3.59 0.12 3.89 -2.45 -0.33 0.70 119.30 123.79 1cx1 s MET 37 Ca 0.05 -0.54 0.07 0.00 -1.25 0.00 0.00 55.69 54.02 1cx1 s MET 37 Cb -0.08 -2.86 -0.04 0.00 1.25 0.00 0.00 34.83 33.11 1cx1 s MET 37 CO 0.01 0.26 -0.16 0.00 1.05 0.00 0.00 175.02 176.18 1cx1 s VAL 39 N -1.86 2.02 -0.43 0.00 -7.23 -0.86 -2.87 120.40 109.17 1cx1 s VAL 39 Ca 0.09 -2.22 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 1cx1 s VAL 39 Cb -0.06 -2.45 0.10 0.00 0.56 0.00 0.00 36.38 34.52 1cx1 s VAL 39 CO 0.04 -0.32 0.28 -1.81 -0.31 0.00 0.00 175.10 172.98 1cx1 s ASP 40 N -3.50 5.59 -0.38 4.85 1.01 -1.26 -3.13 116.67 119.85 1cx1 s ASP 40 Ca 0.30 -1.72 0.10 0.00 0.71 0.00 0.00 52.55 51.93 1cx1 s ASP 40 Cb 0.01 -1.97 0.44 0.00 1.01 0.00 0.00 42.92 42.41 1cx1 s ASP 40 CO 0.14 -0.59 1.08 0.18 0.21 0.00 0.00 175.17 176.18 1cx1 n LEU 41 N 4.86 3.71 0.00 1.23 7.99 -0.95 -4.21 117.00 129.63 1cx1 n LEU 41 Ca -0.08 -4.65 0.00 0.00 -0.01 0.00 0.00 56.01 51.27 1cx1 n LEU 41 Cb 0.42 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1cx1 n LEU 41 CO 0.39 1.98 0.43 -2.65 -1.51 0.00 0.00 177.39 176.03 1cx1 n PRO 42 N -0.41 0.00 0.00 3.23 -0.02 -1.25 0.20 135.00 136.76 1cx1 n PRO 42 Ca 0.30 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1cx1 n PRO 42 Cb 0.75 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cx1 n GLY 43 N -1.00 -1.87 0.84 -1.23 0.00 -1.26 -2.95 105.19 97.73 1cx1 n GLY 43 Ca 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 46.02 46.83 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 0.37 3.90 -0.02 0.00 -1.24 -4.57 105.19 103.63 1cx1 n GLY 44 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.44 -0.03 1.61 -1.52 -1.26 -4.91 119.66 116.99 1cx1 s GLN 45 Ca 0.00 -0.25 -0.03 0.00 -1.95 0.00 0.00 55.36 53.13 1cx1 s GLN 45 Cb 0.00 -3.13 -0.01 0.00 -0.22 0.00 0.00 33.01 29.65 1cx1 s GLN 45 CO 0.00 0.71 0.23 0.78 -0.25 0.00 0.00 175.29 176.76 1cx1 h GLY 46 N 4.21 -0.10 -3.74 3.09 0.00 -1.97 -3.26 103.07 101.30 1cx1 h GLY 46 Ca -0.51 0.04 -0.51 0.00 0.00 0.00 0.00 47.33 46.35 1cx1 h GLY 46 CO 0.65 -0.04 -0.45 0.54 0.00 0.00 0.00 176.54 177.25 1cx1 s ASN 47 N -3.75 6.33 0.21 0.19 4.22 -1.26 -4.86 114.94 116.03 1cx1 s ASN 47 Ca -0.01 0.14 0.02 0.00 -2.14 0.00 0.00 52.86 50.87 1cx1 s ASN 47 Cb 0.00 -1.90 0.17 0.00 1.28 0.00 0.00 41.25 40.81 1cx1 s ASN 47 CO 0.04 0.00 1.51 1.55 -2.04 0.00 0.00 177.10 178.17 1cx1 h PRO 48 N 1.79 0.30 -0.76 3.55 0.13 -1.90 -3.07 132.00 132.03 1cx1 h PRO 48 Ca -0.50 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1cx1 h PRO 48 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1cx1 h PRO 48 CO 0.66 0.85 0.00 -2.67 -0.23 0.00 0.00 178.00 176.61 1cx1 n TRP 49 N -3.85 0.00 -1.16 1.56 2.14 -1.26 -3.38 117.44 111.49 1cx1 n TRP 49 Ca -0.03 -0.04 -0.11 0.00 2.07 0.00 0.00 57.50 59.39 1cx1 n TRP 49 Cb 0.65 -0.08 0.25 0.00 -0.81 0.00 0.00 31.31 31.32 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 0.22 4.14 0.00 -0.67 9.92 -1.16 -4.91 116.55 124.09 1cx1 n ASP 50 Ca 0.00 -3.41 0.00 0.00 -0.53 0.00 0.00 54.79 50.85 1cx1 n ASP 50 Cb 0.19 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 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 -0.63 0.00 0.00 2.24 0.00 -1.22 -3.33 120.51 117.58 1cx1 n ALA 51 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1cx1 n ALA 51 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.86 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 2.78 0.00 0.00 0.00 -0.98 -3.80 105.19 103.18 1cx1 n GLY 52 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cx1 n LEU 53 N 0.00 0.00 -3.61 0.99 4.77 -0.98 -2.88 117.00 115.29 1cx1 n LEU 53 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1cx1 n LEU 53 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1cx1 n LEU 53 CO 0.00 -0.47 1.00 0.54 -1.33 0.00 0.00 177.39 177.13 1cx1 s VAL 54 N 0.27 0.00 0.00 4.08 0.11 0.03 -2.62 120.40 122.28 1cx1 s VAL 54 Ca 0.00 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1cx1 s VAL 54 Cb 0.00 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1cx1 s VAL 54 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1cx1 n TYR 55 N -0.32 0.00 -3.22 1.54 9.36 -1.11 -1.67 117.16 121.74 1cx1 n TYR 55 Ca -0.05 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.01 1cx1 n TYR 55 Cb 0.61 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.36 1cx1 n TYR 55 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1cx1 n ASN 56 N 0.00 1.76 -0.80 2.98 5.03 -1.26 -0.74 115.26 122.24 1cx1 n ASN 56 Ca 0.00 -2.22 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1cx1 n ASN 56 Cb 0.00 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 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 -0.20 0.79 2.53 7.41 0.00 -1.26 -4.85 105.19 109.61 1cx1 n GLY 57 Ca 0.09 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.75 -0.07 -1.46 1.61 0.24 -1.26 -4.74 118.33 111.90 1cx1 n VAL 58 Ca 0.00 -2.64 -0.41 0.00 -2.04 0.00 0.00 64.34 59.25 1cx1 n VAL 58 Cb 0.27 0.82 0.02 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.37 0.58 -3.82 7.34 -0.02 -1.26 -4.65 135.00 133.55 1cx1 n PRO 59 Ca 0.13 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 1cx1 n PRO 59 Cb 0.68 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.55 1.78 -0.43 -1.45 1.01 -1.17 -5.01 120.40 113.58 1cx1 s VAL 60 Ca 0.64 -2.61 -0.26 0.00 0.00 0.00 0.00 61.98 59.76 1cx1 s VAL 60 Cb -0.55 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1cx1 s VAL 60 CO 0.57 -0.81 0.93 -0.83 0.00 0.00 0.00 175.10 174.97 1cx1 s GLY 61 N 0.39 1.50 -0.02 4.51 0.00 -1.26 -0.91 107.32 111.53 1cx1 s GLY 61 Ca 0.16 -0.68 -0.34 0.00 0.00 0.00 0.00 44.72 43.85 1cx1 s GLY 61 CO -0.04 2.04 1.76 -2.21 0.00 0.00 0.00 173.10 174.65 1cx1 n GLU 62 N 7.07 2.08 0.00 2.90 0.00 -1.25 -2.84 120.64 128.60 1cx1 n GLU 62 Ca 0.07 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.98 1cx1 n GLU 62 Cb 0.48 -2.57 0.00 0.00 0.00 0.00 0.00 31.44 29.36 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 4.02 4.11 4.03 8.31 0.00 0.78 -4.92 105.19 121.53 1cx1 n GLY 63 Ca 0.21 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1cx1 n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cx1 n GLU 64 N 0.00 0.59 -4.70 1.61 1.02 -1.13 -4.76 120.64 113.26 1cx1 n GLU 64 Ca 0.00 -3.22 -0.24 0.00 -0.02 0.00 0.00 57.16 53.68 1cx1 n GLU 64 Cb 0.00 -0.25 -0.15 0.00 -0.02 0.00 0.00 31.44 31.02 1cx1 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1cx1 s SER 65 N -4.71 1.81 0.58 1.62 0.01 -1.26 0.16 113.70 111.92 1cx1 s SER 65 Ca 0.63 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.69 1cx1 s SER 65 Cb -0.05 -0.31 0.09 0.00 0.21 0.00 0.00 66.02 65.95 1cx1 s SER 65 CO 0.40 0.16 0.74 -0.31 0.41 0.00 0.00 173.24 174.64 1cx1 s TYR 66 N -0.19 1.31 -0.14 2.43 1.51 -0.97 -3.66 117.35 117.64 1cx1 s TYR 66 Ca 0.02 -0.78 -0.16 0.00 -1.01 0.00 0.00 57.07 55.14 1cx1 s TYR 66 Cb -0.08 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1cx1 s TYR 66 CO 0.00 -1.09 0.43 0.08 -1.11 0.00 0.00 175.55 173.86 1cx1 s VAL 67 N -2.72 0.01 -0.19 0.71 1.01 -0.53 -2.63 120.40 116.05 1cx1 s VAL 67 Ca 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 1cx1 s VAL 67 Cb -0.05 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1cx1 s VAL 67 CO 0.36 -0.03 -0.05 -0.22 0.00 0.00 0.00 175.10 175.15 1cx1 s LEU 68 N -0.03 1.95 -0.63 3.92 2.96 -1.12 -3.01 118.68 122.71 1cx1 s LEU 68 Ca -0.02 -0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 52.96 1cx1 s LEU 68 Cb -0.03 -1.01 0.16 0.00 0.50 0.00 0.00 46.19 45.82 1cx1 s LEU 68 CO 0.01 -0.21 0.49 -0.94 -1.32 0.00 0.00 176.35 174.39 1cx1 s SER 69 N 1.55 5.68 0.14 3.68 1.04 -1.10 -2.91 113.70 121.79 1cx1 s SER 69 Ca -0.02 -2.61 -0.08 0.00 0.48 0.00 0.00 55.95 53.73 1cx1 s SER 69 Cb -0.17 -1.97 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 1cx1 s SER 69 CO -0.07 -0.48 0.43 0.72 0.98 0.00 0.00 173.24 174.81 1cx1 s PHE 70 N 0.31 3.51 -0.48 5.02 -0.71 -1.14 -0.82 117.98 123.66 1cx1 s PHE 70 Ca 0.15 0.73 -0.16 0.00 -1.04 0.00 0.00 56.93 56.60 1cx1 s PHE 70 Cb -0.19 -2.13 0.07 0.00 -1.21 0.00 0.00 43.02 39.56 1cx1 s PHE 70 CO -0.04 0.43 0.45 0.95 -1.34 0.00 0.00 175.22 175.67 1cx1 s THR 71 N -1.58 5.15 0.10 -4.49 -4.23 -0.75 -2.92 115.64 106.92 1cx1 s THR 71 Ca 0.39 -0.93 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 1cx1 s THR 71 Cb -0.13 -4.17 0.03 0.00 1.34 0.00 0.00 72.50 69.57 1cx1 s THR 71 CO 0.21 -0.64 0.35 0.00 -0.54 0.00 0.00 174.62 174.01 1cx1 s ALA 72 N 1.88 -0.78 -0.04 3.99 0.00 -1.18 -3.24 121.76 122.39 1cx1 s ALA 72 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1cx1 s ALA 72 Cb -0.23 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1cx1 s ALA 72 CO 0.08 -0.58 0.02 -1.54 0.00 0.00 0.00 175.76 173.74 1cx1 s SER 73 N -2.69 0.86 -0.07 0.00 1.04 -1.03 -2.12 113.70 109.68 1cx1 s SER 73 Ca 0.02 0.00 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 1cx1 s SER 73 Cb 0.02 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1cx1 s SER 73 CO -0.10 -0.17 0.72 0.00 0.98 0.00 0.00 173.24 174.67 1cx1 s ALA 74 N 1.59 3.34 -0.14 5.32 0.00 0.48 -3.06 121.76 129.31 1cx1 s ALA 74 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1cx1 s ALA 74 Cb -0.13 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1cx1 s ALA 74 CO -0.03 -0.15 -0.02 0.95 0.00 0.00 0.00 175.76 176.51 1cx1 s THR 75 N 0.92 0.72 0.00 0.00 -4.23 -0.95 -2.66 115.64 109.45 1cx1 s THR 75 Ca 0.38 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1cx1 s THR 75 Cb -0.18 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1cx1 s THR 75 CO 0.18 0.12 0.00 -2.65 -0.54 0.00 0.00 174.62 171.73 1cx1 n PRO 76 N 5.01 3.03 -3.65 3.99 -0.02 -1.26 0.24 135.00 142.35 1cx1 n PRO 76 Ca -0.10 0.00 -0.30 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 6.46 0.00 2.55 1.01 -1.25 -4.56 116.67 119.16 1cx1 s ASP 77 Ca 0.00 0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.82 1cx1 s ASP 77 Cb 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1cx1 s ASP 77 CO 0.00 0.01 0.00 0.23 0.21 0.00 0.00 175.17 175.62 1cx1 n MET 78 N -0.19 0.00 -2.56 8.23 2.81 -1.18 -5.06 117.12 119.17 1cx1 n MET 78 Ca -0.03 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.46 1cx1 n MET 78 Cb 0.52 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 4.68 0.41 0.03 0.04 -1.26 -2.74 135.00 134.16 1cx1 s PRO 79 Ca 0.00 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1cx1 s PRO 79 Cb 0.00 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1cx1 s PRO 79 CO 0.00 0.25 0.43 0.14 0.04 0.00 0.00 177.00 177.86 1cx1 s VAL 80 N -0.89 2.80 0.08 -0.36 -7.23 -0.00 -4.88 120.40 109.92 1cx1 s VAL 80 Ca 0.45 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 1cx1 s VAL 80 Cb -0.30 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 1cx1 s VAL 80 CO 0.37 -0.01 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.52 1cx1 s ARG 81 N -4.18 2.46 -0.05 4.82 3.52 -0.27 -2.98 118.95 122.27 1cx1 s ARG 81 Ca 0.50 -0.86 -0.19 0.00 -0.13 0.00 0.00 55.73 55.05 1cx1 s ARG 81 Cb -0.05 -2.49 0.04 0.00 -1.56 0.00 0.00 34.95 30.89 1cx1 s ARG 81 CO 0.29 0.54 0.42 0.08 -0.81 0.00 0.00 175.30 175.83 1cx1 s VAL 82 N -1.24 0.03 -0.08 7.11 1.01 -1.09 -2.19 120.40 123.95 1cx1 s VAL 82 Ca 0.23 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 1cx1 s VAL 82 Cb -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1cx1 s VAL 82 CO 0.16 -0.16 0.43 -1.48 0.00 0.00 0.00 175.10 174.05 1cx1 s LEU 83 N -1.06 0.36 -0.03 3.92 0.05 -1.08 -3.22 118.68 117.63 1cx1 s LEU 83 Ca -0.11 0.52 -0.21 0.00 0.05 0.00 0.00 54.13 54.38 1cx1 s LEU 83 Cb -0.04 1.60 0.04 0.00 -2.05 0.00 0.00 46.19 45.74 1cx1 s LEU 83 CO 0.05 -0.36 0.46 -0.69 -0.55 0.00 0.00 176.35 175.26 1cx1 s VAL 84 N -0.69 0.03 -0.61 1.48 1.01 -1.00 -2.46 120.40 118.16 1cx1 s VAL 84 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1cx1 s VAL 84 Cb -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 84 CO 0.04 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1cx1 n GLY 85 N 1.17 -0.52 0.00 4.51 0.00 -0.70 -2.63 105.19 107.02 1cx1 n GLY 85 Ca -0.20 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.20 -2.72 1.61 0.00 -1.26 -0.52 120.64 119.96 1cx1 n GLU 86 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1cx1 n GLU 86 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 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 5.00 -0.59 0.00 -1.84 0.00 -1.26 -4.46 105.19 102.04 1cx1 n GLY 87 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.48 0.28 1.19 -0.02 0.00 -1.26 -4.67 105.19 102.20 1cx1 n GLY 88 Ca 0.06 0.68 0.13 0.00 0.00 0.00 0.00 46.02 46.88 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 -2.16 4.94 -0.02 0.00 -1.26 -4.36 105.19 102.32 1cx1 n GLY 89 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.50 0.00 -0.30 4.61 0.00 -1.26 -4.40 120.51 115.66 1cx1 n ALA 90 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1cx1 n ALA 90 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.06 -2.46 0.00 4.02 -1.26 -4.79 117.16 112.61 1cx1 n TYR 91 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1cx1 n TYR 91 Cb 0.00 -0.90 -0.02 0.00 -0.02 0.00 0.00 39.34 38.40 1cx1 n TYR 91 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1cx1 s ARG 92 N -0.60 3.88 0.33 -0.72 0.52 -1.26 -4.98 118.95 116.10 1cx1 s ARG 92 Ca 0.00 1.11 0.10 0.00 -0.52 0.00 0.00 55.73 56.42 1cx1 s ARG 92 Cb 0.00 -3.88 -0.06 0.00 0.52 0.00 0.00 34.95 31.53 1cx1 s ARG 92 CO 0.00 -1.17 -0.07 -0.08 0.02 0.00 0.00 175.30 174.00 1cx1 s THR 93 N 4.41 2.47 -0.02 0.02 -1.32 -1.26 -4.59 115.64 115.34 1cx1 s THR 93 Ca 0.54 -2.15 0.11 0.00 -1.21 0.00 0.00 61.69 58.98 1cx1 s THR 93 Cb -0.15 -2.65 -0.17 0.00 -1.51 0.00 0.00 72.50 68.03 1cx1 s THR 93 CO 0.24 -0.24 0.23 0.00 -2.21 0.00 0.00 174.62 172.64 1cx1 n ALA 94 N -0.82 2.38 -0.66 11.08 0.00 -1.25 -4.48 120.51 126.75 1cx1 n ALA 94 Ca -0.05 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 1cx1 n ALA 94 Cb 0.62 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.89 1.72 -1.30 0.00 -0.00 -1.08 -4.68 117.46 110.22 1cx1 n PHE 95 Ca -0.02 -1.77 -0.30 0.00 -0.00 0.00 0.00 57.45 55.36 1cx1 n PHE 95 Cb 0.30 -0.87 -0.07 0.00 -0.00 0.00 0.00 39.48 38.84 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 -0.03 3.21 -4.02 -4.13 4.07 -1.26 -2.38 120.64 116.10 1cx1 n GLU 96 Ca 0.33 -1.99 -0.35 0.00 -0.06 0.00 0.00 57.16 55.09 1cx1 n GLU 96 Cb 0.80 -2.50 -0.12 0.00 -0.06 0.00 0.00 31.44 29.56 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1cx1 s GLN 97 N 1.19 3.67 0.00 5.31 0.74 -1.20 -4.94 119.66 124.44 1cx1 s GLN 97 Ca 0.67 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.62 1cx1 s GLN 97 Cb 0.24 -3.14 0.04 0.00 1.10 0.00 0.00 33.01 31.25 1cx1 s GLN 97 CO -0.06 0.02 0.76 0.41 -0.55 0.00 0.00 175.29 175.87 1cx1 n GLY 98 N 4.26 0.25 3.02 2.59 0.00 -1.26 -2.68 105.19 111.37 1cx1 n GLY 98 Ca -0.17 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 0.03 5.11 -4.04 1.61 7.64 -1.26 -3.96 113.62 118.74 1cx1 n SER 99 Ca 0.02 -3.07 -0.33 0.00 1.01 0.00 0.00 58.87 56.49 1cx1 n SER 99 Cb 0.15 -1.50 -0.12 0.00 -1.01 0.00 0.00 64.21 61.73 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 0.73 3.30 -0.12 -0.43 0.00 -1.16 -4.95 121.76 119.13 1cx1 s ALA 100 Ca 0.41 -3.01 -0.29 0.00 0.00 0.00 0.00 51.96 49.07 1cx1 s ALA 100 Cb 0.07 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1cx1 s ALA 100 CO 0.00 -1.95 1.76 -2.14 0.00 0.00 0.00 175.76 173.44 1cx1 s PRO 101 N 0.26 3.90 0.17 0.00 0.02 -1.26 -0.82 135.00 137.26 1cx1 s PRO 101 Ca 0.14 2.05 0.10 0.00 0.02 0.00 0.00 61.00 63.31 1cx1 s PRO 101 Cb -0.22 -4.08 -0.04 0.00 0.02 0.00 0.00 34.50 30.17 1cx1 s PRO 101 CO -0.03 -1.19 -0.19 -0.51 -0.33 0.00 0.00 177.00 174.76 1cx1 s LEU 102 N 5.06 2.65 0.00 -5.54 2.01 -1.11 -4.96 118.68 116.79 1cx1 s LEU 102 Ca 0.79 -0.70 0.00 0.00 0.01 0.00 0.00 54.13 54.23 1cx1 s LEU 102 Cb -0.32 -1.41 0.00 0.00 0.01 0.00 0.00 46.19 44.47 1cx1 s LEU 102 CO 0.32 0.13 0.00 1.07 1.01 0.00 0.00 176.35 178.89 1cx1 n THR 103 N 0.38 0.00 0.04 5.49 5.66 -1.26 -3.10 114.28 121.49 1cx1 n THR 103 Ca -0.13 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1cx1 n THR 103 Cb 0.55 -0.74 -0.08 0.00 -1.55 0.00 0.00 70.33 68.51 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N 5.00 -1.23 3.92 1.09 0.00 -1.09 0.18 105.19 113.06 1cx1 n GLY 104 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.22 3.44 -0.49 1.61 8.01 -1.26 -4.70 118.70 122.09 1cx1 s GLU 105 Ca -0.04 -0.43 -0.46 0.00 0.01 0.00 0.00 54.97 54.04 1cx1 s GLU 105 Cb 0.10 -3.04 -0.20 0.00 -4.31 0.00 0.00 34.13 26.69 1cx1 s GLU 105 CO 0.83 0.61 1.67 -2.30 0.01 0.00 0.00 175.26 176.08 1cx1 n PRO 106 N 0.31 0.06 -3.71 0.39 -0.02 -1.26 -4.67 135.00 126.10 1cx1 n PRO 106 Ca -0.05 0.02 -0.14 0.00 -2.02 0.00 0.00 63.50 61.31 1cx1 n PRO 106 Cb 0.51 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cx1 s ALA 107 N 3.38 -0.30 0.25 3.55 0.00 -0.90 -4.99 121.76 122.76 1cx1 s ALA 107 Ca 1.06 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1cx1 s ALA 107 Cb -1.48 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 1cx1 s ALA 107 CO 0.79 -0.33 0.56 0.95 0.00 0.00 0.00 175.76 177.73 1cx1 s THR 108 N 1.65 4.96 -0.01 0.00 -4.23 -1.26 -3.11 115.64 113.63 1cx1 s THR 108 Ca -0.04 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1cx1 s THR 108 Cb -0.12 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1cx1 s THR 108 CO -0.06 -0.16 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.67 1cx1 s ARG 109 N -3.07 0.52 -0.26 3.99 1.81 -1.15 -4.96 118.95 115.83 1cx1 s ARG 109 Ca 0.46 -0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 1cx1 s ARG 109 Cb -0.11 -0.52 0.05 0.00 -0.45 0.00 0.00 34.95 33.92 1cx1 s ARG 109 CO 0.24 0.09 -0.08 -1.83 -0.68 0.00 0.00 175.30 173.04 1cx1 s GLU 110 N 0.05 2.45 -0.25 3.54 -1.05 -1.25 -2.90 118.70 119.28 1cx1 s GLU 110 Ca -0.00 -1.22 -0.05 0.00 -0.15 0.00 0.00 54.97 53.54 1cx1 s GLU 110 Cb -0.04 -2.96 -0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1cx1 s GLU 110 CO -0.00 -0.53 0.02 0.71 0.95 0.00 0.00 175.26 176.41 1cx1 s TYR 111 N 1.20 3.06 -0.07 4.83 2.02 -1.14 -4.87 117.35 122.37 1cx1 s TYR 111 Ca -0.05 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.73 1cx1 s TYR 111 Cb -0.19 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1cx1 s TYR 111 CO -0.04 -0.54 -0.00 0.00 -1.57 0.00 0.00 175.55 173.40 1cx1 s ALA 112 N 1.50 3.26 0.25 3.71 0.00 -1.26 -2.78 121.76 126.44 1cx1 s ALA 112 Ca 0.04 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.24 1cx1 s ALA 112 Cb -0.16 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1cx1 s ALA 112 CO -0.00 0.60 -0.09 -0.59 0.00 0.00 0.00 175.76 175.67 1cx1 s PHE 113 N -0.91 1.84 -0.50 0.00 -0.71 -1.08 -4.95 117.98 111.67 1cx1 s PHE 113 Ca 0.14 -0.66 -0.16 0.00 -1.04 0.00 0.00 56.93 55.21 1cx1 s PHE 113 Cb -0.11 -0.97 0.09 0.00 -1.21 0.00 0.00 43.02 40.81 1cx1 s PHE 113 CO 0.03 0.30 0.47 0.95 -1.34 0.00 0.00 175.22 175.63 1cx1 s THR 114 N -3.01 5.16 -0.43 -4.49 -4.23 -1.26 -2.28 115.64 105.09 1cx1 s THR 114 Ca 0.27 -1.11 -0.38 0.00 -1.18 0.00 0.00 61.69 59.29 1cx1 s THR 114 Cb 0.02 -4.23 -0.16 0.00 1.34 0.00 0.00 72.50 69.47 1cx1 s THR 114 CO 0.10 -0.72 1.82 -1.20 -0.54 0.00 0.00 174.62 174.08 1cx1 n SER 115 N 5.41 0.65 -0.00 3.99 7.64 0.43 -4.72 113.62 127.03 1cx1 n SER 115 Ca -0.12 0.59 0.02 0.00 1.01 0.00 0.00 58.87 60.37 1cx1 n SER 115 Cb 0.43 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1cx1 n SER 115 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1cx1 n ASN 116 N 6.36 0.35 -3.98 6.43 6.94 -1.26 -0.16 115.26 129.94 1cx1 n ASN 116 Ca 0.47 -0.58 -0.24 0.00 -0.02 0.00 0.00 54.58 54.21 1cx1 n ASN 116 Cb -0.03 1.01 -0.17 0.00 -2.36 0.00 0.00 39.78 38.23 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1cx1 s LEU 117 N -2.24 1.51 -0.32 -4.53 2.01 -1.26 -4.86 118.68 108.98 1cx1 s LEU 117 Ca 0.01 -0.26 -0.29 0.00 0.01 0.00 0.00 54.13 53.60 1cx1 s LEU 117 Cb 0.03 -0.74 0.00 0.00 0.01 0.00 0.00 46.19 45.49 1cx1 s LEU 117 CO 0.18 -0.01 1.35 0.42 1.01 0.00 0.00 176.35 179.30 1cx1 s THR 118 N 0.87 4.05 -0.61 5.49 -4.23 -1.26 -3.82 115.64 116.13 1cx1 s THR 118 Ca -0.11 1.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.61 1cx1 s THR 118 Cb -0.15 -4.13 0.21 0.00 1.34 0.00 0.00 72.50 69.76 1cx1 s THR 118 CO 0.01 -0.53 0.56 0.49 -0.54 0.00 0.00 174.62 174.61 1cx1 n PHE 119 N 7.98 2.35 -0.68 3.99 3.72 -0.09 -4.95 117.46 129.78 1cx1 n PHE 119 Ca 0.15 -4.03 -0.32 0.00 -0.05 0.00 0.00 57.45 53.21 1cx1 n PHE 119 Cb 0.47 -0.44 0.17 0.00 -0.94 0.00 0.00 39.48 38.73 1cx1 n PHE 119 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1cx1 n PRO 120 N 1.65 -1.35 0.14 -1.08 -0.02 -1.26 -3.05 135.00 130.03 1cx1 n PRO 120 Ca 0.25 -0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.39 1cx1 n PRO 120 Cb 0.41 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1cx1 n PRO 120 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1cx1 h PRO 121 N -2.00 0.00 -6.19 0.52 0.13 -1.92 -3.41 132.00 119.13 1cx1 h PRO 121 Ca -0.52 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.07 1cx1 h PRO 121 Cb 1.34 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 1cx1 h PRO 121 CO 0.38 0.43 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.48 1cx1 s ASP 122 N -6.38 4.89 0.00 1.44 1.11 -1.26 -3.56 116.67 112.90 1cx1 s ASP 122 Ca 0.04 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.24 1cx1 s ASP 122 Cb 0.07 -1.01 0.00 0.00 1.07 0.00 0.00 42.92 43.05 1cx1 s ASP 122 CO 0.74 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.64 1cx1 n GLY 123 N -1.03 0.93 0.00 0.21 0.00 -1.26 -4.70 105.19 99.34 1cx1 n GLY 123 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -3.79 1.61 8.00 -1.26 -4.75 116.55 116.36 1cx1 n ASP 124 Ca 0.00 0.41 -0.13 0.00 0.71 0.00 0.00 54.79 55.78 1cx1 n ASP 124 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 s ALA 125 N -2.50 -0.67 1.00 2.24 0.00 -1.26 -4.87 121.76 115.70 1cx1 s ALA 125 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1cx1 s ALA 125 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1cx1 s ALA 125 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.14 1cx1 n PRO 126 N 1.23 1.30 -0.62 0.00 -0.04 -1.23 -4.60 135.00 131.03 1cx1 n PRO 126 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.96 1cx1 n PRO 126 Cb 0.56 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.26 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 -0.81 1.57 -0.22 0.55 0.00 -1.26 -4.16 107.32 102.98 1cx1 s GLY 127 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 1cx1 s GLY 127 CO 0.00 0.62 0.56 1.62 0.00 0.00 0.00 173.10 175.90 1cx1 s GLN 128 N -4.53 0.60 0.03 2.90 2.00 0.33 -4.18 119.66 116.79 1cx1 s GLN 128 Ca 0.68 0.95 0.00 0.00 -2.00 0.00 0.00 55.36 54.99 1cx1 s GLN 128 Cb -0.24 0.15 -0.02 0.00 0.80 0.00 0.00 33.01 33.69 1cx1 s GLN 128 CO 0.63 -0.13 -0.04 0.08 -0.50 0.00 0.00 175.29 175.34 1cx1 s VAL 129 N 1.13 0.17 -0.30 1.34 1.01 0.08 -1.72 120.40 122.12 1cx1 s VAL 129 Ca -0.07 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1cx1 s VAL 129 Cb -0.06 -0.46 0.18 0.00 0.00 0.00 0.00 36.38 36.04 1cx1 s VAL 129 CO -0.11 -0.55 0.85 0.00 0.00 0.00 0.00 175.10 175.29 1cx1 s ALA 130 N -1.77 -2.79 -0.40 5.51 0.00 -1.03 -2.75 121.76 118.54 1cx1 s ALA 130 Ca -0.12 1.76 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 1cx1 s ALA 130 Cb -0.08 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.81 1cx1 s ALA 130 CO -0.02 -1.29 0.88 -0.06 0.00 0.00 0.00 175.76 175.27 1cx1 s PHE 131 N 2.83 3.04 -0.28 0.00 0.40 -1.08 -2.63 117.98 120.27 1cx1 s PHE 131 Ca 0.06 0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 56.85 1cx1 s PHE 131 Cb -0.11 -3.67 -0.05 0.00 0.51 0.00 0.00 43.02 39.70 1cx1 s PHE 131 CO -0.16 -0.89 0.20 -1.01 0.70 0.00 0.00 175.22 174.06 1cx1 s HIS 132 N 3.43 3.23 0.00 0.36 3.76 -0.93 -2.33 115.29 122.82 1cx1 s HIS 132 Ca 0.35 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1cx1 s HIS 132 Cb -0.12 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1cx1 s HIS 132 CO 0.21 -0.14 0.25 1.28 -0.85 0.00 0.00 174.74 175.49 1cx1 n LEU 133 N 4.99 0.00 -4.67 0.89 4.32 -1.25 -1.11 117.00 120.18 1cx1 n LEU 133 Ca -0.14 -0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.42 1cx1 n LEU 133 Cb 0.52 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1cx1 n LEU 133 CO 0.33 0.00 0.85 -0.83 -1.22 0.00 0.00 177.39 176.53 1cx1 s GLY 134 N 0.00 1.96 -0.28 -0.72 0.00 -1.25 -4.38 107.32 102.65 1cx1 s GLY 134 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 44.72 44.75 1cx1 s GLY 134 CO 0.00 2.06 0.85 0.54 0.00 0.00 0.00 173.10 176.55 1cx1 s LYS 135 N 2.71 0.63 0.20 2.90 1.02 -1.26 -4.30 119.74 121.64 1cx1 s LYS 135 Ca 0.45 0.88 0.03 0.00 0.02 0.00 0.00 55.97 57.35 1cx1 s LYS 135 Cb -0.16 0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.53 1cx1 s LYS 135 CO 0.11 -0.10 0.80 0.00 -0.92 0.00 0.00 175.35 175.24 1cx1 n ALA 136 N 3.13 0.20 -0.08 5.17 0.00 -1.23 0.44 120.51 128.14 1cx1 n ALA 136 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cx1 n ALA 136 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.19 0.74 0.00 0.00 0.00 -1.26 -3.62 105.19 99.85 1cx1 n GLY 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 0.00 -3.00 4.61 0.00 1.50 -4.79 120.51 118.59 1cx1 n ALA 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 138 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.42 -0.07 -2.78 0.00 0.18 0.54 -4.32 117.16 110.28 1cx1 n TYR 139 Ca 0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 1cx1 n TYR 139 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 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 0.52 4.64 -0.23 -3.48 2.02 0.14 -2.25 118.70 120.06 1cx1 s GLU 140 Ca 0.00 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.35 1cx1 s GLU 140 Cb 0.00 -2.91 0.06 0.00 0.10 0.00 0.00 34.13 31.37 1cx1 s GLU 140 CO 0.00 0.34 -0.05 0.12 0.02 0.00 0.00 175.26 175.69 1cx1 s PHE 141 N -1.51 2.25 -0.40 1.61 5.36 -1.18 -2.23 117.98 121.88 1cx1 s PHE 141 Ca 0.48 -1.65 -0.07 0.00 -0.96 0.00 0.00 56.93 54.73 1cx1 s PHE 141 Cb -0.20 -1.52 0.08 0.00 -0.34 0.00 0.00 43.02 41.04 1cx1 s PHE 141 CO 0.26 -0.75 0.21 0.00 -1.46 0.00 0.00 175.22 173.47 1cx1 s ILE 143 N 1.35 2.08 0.00 0.00 2.07 -0.34 -2.47 121.20 123.88 1cx1 s ILE 143 Ca 0.03 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.99 1cx1 s ILE 143 Cb -0.22 -1.76 0.00 0.00 0.13 0.00 0.00 42.46 40.61 1cx1 s ILE 143 CO 0.01 0.44 0.04 -1.54 -1.91 0.00 0.00 174.94 171.97 1cx1 n SER 144 N 2.03 0.07 -3.60 4.50 3.41 -1.20 -1.18 113.62 117.65 1cx1 n SER 144 Ca -0.17 -0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 1cx1 n SER 144 Cb 0.52 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.04 1.12 0.02 4.33 -0.21 -1.26 -1.72 119.66 121.91 1cx1 s GLN 145 Ca 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 55.36 54.66 1cx1 s GLN 145 Cb 0.00 0.49 -0.01 0.00 1.00 0.00 0.00 33.01 34.50 1cx1 s GLN 145 CO 0.00 -0.45 0.09 0.08 -2.12 0.00 0.00 175.29 172.88 1cx1 s VAL 146 N -3.80 0.12 -0.09 1.09 1.01 -1.25 -1.81 120.40 115.67 1cx1 s VAL 146 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1cx1 s VAL 146 Cb 0.01 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1cx1 s VAL 146 CO -0.12 -0.52 -0.16 -0.55 0.00 0.00 0.00 175.10 173.75 1cx1 s SER 147 N -1.80 2.30 -0.20 3.32 0.15 0.00 -4.65 113.70 112.82 1cx1 s SER 147 Ca -0.10 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1cx1 s SER 147 Cb -0.04 -1.05 0.05 0.00 -1.71 0.00 0.00 66.02 63.27 1cx1 s SER 147 CO -0.02 0.05 -0.02 -0.22 1.20 0.00 0.00 173.24 174.23 1cx1 s LEU 148 N 0.72 1.80 0.00 3.45 1.98 -1.26 -2.70 118.68 122.67 1cx1 s LEU 148 Ca -0.12 -0.90 -0.03 0.00 -2.89 0.00 0.00 54.13 50.19 1cx1 s LEU 148 Cb -0.16 -0.89 0.01 0.00 0.66 0.00 0.00 46.19 45.81 1cx1 s LEU 148 CO 0.03 -0.25 0.14 1.07 -1.89 0.00 0.00 176.35 175.45 1cx1 n THR 149 N 4.86 0.00 0.00 3.68 5.66 -1.16 -3.90 114.28 123.42 1cx1 n THR 149 Ca -0.11 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1cx1 n THR 149 Cb 0.46 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.09 0.00 -2.72 1.09 5.66 -1.26 -1.45 114.28 115.50 1cx1 n THR 150 Ca -0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1cx1 n THR 150 Cb 0.10 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.00 -2.25 -0.70 1.09 7.64 -1.24 -4.79 113.62 113.37 1cx1 n SER 151 Ca 0.00 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1cx1 n SER 151 Cb 0.00 1.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 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 0.22 0.00 -1.50 -0.43 0.00 -1.26 -4.68 120.51 112.85 1cx1 n ALA 152 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cx1 n ALA 152 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91