#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 -4.84 113.62 115.16 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cx1 n LEU 3 N 0.00 0.00 0.00 -3.43 7.94 -1.18 -4.45 117.00 115.88 1cx1 n LEU 3 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1cx1 n LEU 3 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1cx1 n LEU 3 CO 0.00 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.38 1cx1 n ASP 4 N 0.00 0.00 0.00 1.96 5.68 -1.26 -4.00 116.55 118.93 1cx1 n ASP 4 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1cx1 n ASP 4 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -3.81 -1.12 3.41 -1.26 -4.46 113.62 106.38 1cx1 n SER 5 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1cx1 n SER 5 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 6 N 0.00 1.02 1.04 4.33 2.02 -1.26 -4.72 118.70 121.12 1cx1 s GLU 6 Ca 0.00 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 1cx1 s GLU 6 Cb 0.00 -2.29 0.06 0.00 0.10 0.00 0.00 34.13 32.00 1cx1 s GLU 6 CO 0.00 -0.66 0.12 1.55 0.02 0.00 0.00 175.26 176.29 1cx1 n VAL 7 N 4.89 0.00 -3.65 2.63 3.14 -1.26 -4.85 118.33 119.22 1cx1 n VAL 7 Ca -0.09 -0.25 -0.29 0.00 -2.96 0.00 0.00 64.34 60.74 1cx1 n VAL 7 Cb 0.45 -0.58 -0.14 0.00 -1.06 0.00 0.00 33.84 32.52 1cx1 n VAL 7 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1cx1 s GLU 8 N -3.45 0.72 0.17 1.45 2.56 -1.25 -3.70 118.70 115.20 1cx1 s GLU 8 Ca 0.55 -1.22 -0.10 0.00 0.00 0.00 0.00 54.97 54.20 1cx1 s GLU 8 Cb -0.16 -1.81 0.05 0.00 2.00 0.00 0.00 34.13 34.21 1cx1 s GLU 8 CO 0.67 -1.06 1.63 -0.07 -0.56 0.00 0.00 175.26 175.87 1cx1 h LEU 9 N 7.69 0.99 -7.62 2.70 3.38 -1.84 -3.36 115.31 117.25 1cx1 h LEU 9 Ca -0.09 -0.30 -0.68 0.00 0.09 0.00 0.00 57.88 56.90 1cx1 h LEU 9 Cb 0.99 -0.26 -0.37 0.00 0.09 0.00 0.00 40.66 41.11 1cx1 h LEU 9 CO 0.44 1.04 -0.51 -0.22 0.09 0.00 0.00 178.44 179.28 1cx1 s LEU 10 N -9.38 5.02 0.00 1.67 0.20 -1.26 -4.97 118.68 109.96 1cx1 s LEU 10 Ca -0.12 -2.57 0.00 0.00 0.69 0.00 0.00 54.13 52.13 1cx1 s LEU 10 Cb 0.13 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 1cx1 s LEU 10 CO 0.84 -0.39 0.24 -2.65 -0.29 0.00 0.00 176.35 174.10 1cx1 n PRO 11 N 3.82 0.00 -3.93 0.98 -0.02 -1.26 -4.65 135.00 129.95 1cx1 n PRO 11 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 1cx1 n PRO 11 Cb 0.38 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.31 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1cx1 s HIS 12 N 2.25 0.29 -0.39 6.00 2.46 -1.26 -5.06 115.29 119.57 1cx1 s HIS 12 Ca 0.00 0.00 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1cx1 s HIS 12 Cb 0.00 -0.37 0.26 0.00 -0.13 0.00 0.00 32.58 32.34 1cx1 s HIS 12 CO 0.00 -0.11 1.09 -2.37 -2.47 0.00 0.00 174.74 170.88 1cx1 n THR 13 N 4.03 0.00 -2.72 0.89 5.66 -1.26 -4.49 114.28 116.39 1cx1 n THR 13 Ca -0.26 -0.98 -0.07 0.00 -3.05 0.00 0.00 64.05 59.69 1cx1 n THR 13 Cb 0.51 1.23 0.08 0.00 -1.55 0.00 0.00 70.33 70.61 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 1.61 -2.18 -0.88 1.09 7.64 -1.26 -4.55 113.62 115.10 1cx1 n SER 14 Ca 0.05 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1cx1 n SER 14 Cb 0.67 1.66 0.00 0.00 -1.01 0.00 0.00 64.21 65.53 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 0.79 0.00 0.01 1.43 3.01 -0.21 -3.13 117.46 119.35 1cx1 n PHE 15 Ca 0.04 -0.15 -0.21 0.00 1.01 0.00 0.00 57.45 58.14 1cx1 n PHE 15 Cb 0.69 -0.13 -0.14 0.00 -0.01 0.00 0.00 39.48 39.90 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 n ALA 16 N 0.69 0.87 -0.31 4.37 0.00 -1.25 -2.88 120.51 121.99 1cx1 n ALA 16 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1cx1 n ALA 16 Cb 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.49 0.00 -3.24 0.00 -0.58 -1.19 -4.30 120.64 107.85 1cx1 n GLU 17 Ca -0.32 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.07 1cx1 n GLU 17 Cb 1.05 -0.18 -0.06 0.00 -0.57 0.00 0.00 31.44 31.68 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 -3.11 6.90 0.04 1.62 0.01 -1.26 -4.91 113.70 112.99 1cx1 s SER 18 Ca 0.00 1.22 -0.33 0.00 1.31 0.00 0.00 55.95 58.15 1cx1 s SER 18 Cb 0.00 -2.35 -0.19 0.00 0.21 0.00 0.00 66.02 63.70 1cx1 s SER 18 CO 0.00 0.03 1.42 -0.07 0.41 0.00 0.00 173.24 175.03 1cx1 h LEU 19 N 3.32 -0.95 0.00 2.44 3.38 -1.90 -3.39 115.31 118.20 1cx1 h LEU 19 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1cx1 h LEU 19 Cb 1.19 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1cx1 h LEU 19 CO 0.66 -0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1cx1 n GLY 20 N -1.27 2.58 0.00 0.83 0.00 -1.26 -4.66 105.19 101.41 1cx1 n GLY 20 Ca -0.15 -2.14 0.05 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.01 0.61 -0.88 1.61 -0.04 -1.26 -4.80 135.00 129.23 1cx1 n PRO 21 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1cx1 n PRO 21 Cb 0.00 -1.25 0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.75 -3.81 -4.62 0.54 7.02 -1.26 -4.84 117.44 109.72 1cx1 n TRP 22 Ca 0.07 -0.62 -0.23 0.00 -1.02 0.00 0.00 57.50 55.70 1cx1 n TRP 22 Cb 0.03 -0.60 -0.14 0.00 -2.42 0.00 0.00 31.31 28.18 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 -3.51 2.02 -0.05 -0.99 0.01 0.24 -4.91 113.70 106.51 1cx1 s SER 23 Ca 0.41 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 1cx1 s SER 23 Cb -0.02 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1cx1 s SER 23 CO 0.30 0.14 0.12 -1.48 0.41 0.00 0.00 173.24 172.73 1cx1 s LEU 24 N -0.84 0.95 -0.06 2.44 0.05 -1.26 0.11 118.68 120.06 1cx1 s LEU 24 Ca 0.05 0.24 -0.32 0.00 0.05 0.00 0.00 54.13 54.16 1cx1 s LEU 24 Cb -0.07 0.29 0.14 0.00 -2.05 0.00 0.00 46.19 44.50 1cx1 s LEU 24 CO 0.01 -0.12 1.38 -0.72 -0.55 0.00 0.00 176.35 176.34 1cx1 s TYR 25 N 0.94 -0.02 0.00 3.48 1.13 -1.17 -4.99 117.35 116.72 1cx1 s TYR 25 Ca -0.07 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.56 1cx1 s TYR 25 Cb -0.10 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 1cx1 s TYR 25 CO -0.04 -0.12 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 1cx1 n GLY 26 N -0.50 2.94 0.00 5.49 0.00 -1.26 -2.87 105.19 109.00 1cx1 n GLY 26 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -3.35 2.61 5.66 -1.25 -4.44 114.28 113.52 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 -0.00 6.94 -0.76 1.09 1.04 -1.26 -4.93 113.70 115.82 1cx1 s SER 28 Ca 0.00 1.11 -0.36 0.00 0.48 0.00 0.00 55.95 57.18 1cx1 s SER 28 Cb 0.00 -2.32 -0.20 0.00 0.10 0.00 0.00 66.02 63.61 1cx1 s SER 28 CO 0.00 0.25 2.46 -0.62 0.98 0.00 0.00 173.24 176.31 1cx1 n GLU 29 N 2.04 0.10 -1.06 4.02 1.02 -1.26 -4.50 120.64 120.99 1cx1 n GLU 29 Ca -0.11 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.69 1cx1 n GLU 29 Cb 0.51 -1.63 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 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 8.14 0.02 -3.68 3.49 -0.02 -1.26 -4.95 135.00 136.73 1cx1 n PRO 30 Ca 0.60 0.03 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 1cx1 n PRO 30 Cb 0.04 -1.49 -0.15 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 -2.08 -0.22 -1.13 -1.45 1.01 -1.13 -4.95 120.40 110.46 1cx1 s VAL 31 Ca 0.55 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 1cx1 s VAL 31 Cb -0.28 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1cx1 s VAL 31 CO 0.69 0.13 1.67 0.72 0.00 0.00 0.00 175.10 178.31 1cx1 s PHE 32 N 2.07 2.47 0.00 5.22 -0.12 -1.26 -2.91 117.98 123.45 1cx1 s PHE 32 Ca 0.01 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1cx1 s PHE 32 Cb -0.12 -4.56 0.00 0.00 -0.63 0.00 0.00 43.02 37.71 1cx1 s PHE 32 CO -0.06 -1.79 0.00 0.00 -0.05 0.00 0.00 175.22 173.33 1cx1 n ALA 33 N 9.94 0.00 0.01 1.99 0.00 0.11 -4.70 120.51 127.85 1cx1 n ALA 33 Ca 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1cx1 n ALA 33 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1cx1 n ALA 33 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1cx1 h ASP 34 N 0.00 -0.44 -0.75 0.00 1.82 -1.92 -3.37 116.42 111.75 1cx1 h ASP 34 Ca 0.00 0.05 -0.32 0.00 -0.39 0.00 0.00 57.03 56.37 1cx1 h ASP 34 Cb 0.00 0.17 -0.36 0.00 0.68 0.00 0.00 39.33 39.82 1cx1 h ASP 34 CO 0.00 -0.13 -1.04 0.61 -1.61 0.00 0.00 179.24 177.07 1cx1 n GLY 35 N -1.12 1.53 3.60 -0.78 0.00 -1.26 -4.81 105.19 102.35 1cx1 n GLY 35 Ca -0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.63 0.48 -0.16 1.61 1.70 -1.25 -4.41 118.95 114.28 1cx1 s ARG 36 Ca 0.26 0.17 -0.03 0.00 -0.47 0.00 0.00 55.73 55.66 1cx1 s ARG 36 Cb 0.43 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 35.02 1cx1 s ARG 36 CO 0.01 -0.14 -0.04 1.41 -1.08 0.00 0.00 175.30 175.45 1cx1 s MET 37 N -0.90 3.61 0.24 3.89 -2.45 0.12 0.04 119.30 123.86 1cx1 s MET 37 Ca 0.01 -0.55 0.10 0.00 -1.25 0.00 0.00 55.69 54.00 1cx1 s MET 37 Cb -0.01 -2.91 -0.05 0.00 1.25 0.00 0.00 34.83 33.11 1cx1 s MET 37 CO -0.01 0.18 -0.17 0.00 1.05 0.00 0.00 175.02 176.07 1cx1 s VAL 39 N -2.75 1.13 -0.49 0.00 -7.23 -0.55 -2.85 120.40 107.66 1cx1 s VAL 39 Ca 0.26 -0.54 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 1cx1 s VAL 39 Cb -0.03 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1cx1 s VAL 39 CO 0.11 0.34 1.55 -1.81 -0.31 0.00 0.00 175.10 174.97 1cx1 s ASP 40 N 0.21 6.02 -0.63 4.85 1.11 -1.26 -3.15 116.67 123.82 1cx1 s ASP 40 Ca -0.05 0.61 0.05 0.00 0.18 0.00 0.00 52.55 53.33 1cx1 s ASP 40 Cb -0.11 -2.54 0.33 0.00 1.07 0.00 0.00 42.92 41.67 1cx1 s ASP 40 CO 0.02 -1.73 1.01 0.18 1.18 0.00 0.00 175.17 175.82 1cx1 n LEU 41 N 9.96 4.69 0.00 1.23 7.99 0.16 -3.98 117.00 137.05 1cx1 n LEU 41 Ca 0.16 -5.64 0.00 0.00 -0.01 0.00 0.00 56.01 50.53 1cx1 n LEU 41 Cb 0.49 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 1cx1 n LEU 41 CO 0.70 2.30 0.00 -0.81 -1.51 0.00 0.00 177.39 178.07 1cx1 n PRO 42 N -0.12 0.00 -3.73 3.23 -0.04 -1.06 0.24 135.00 133.53 1cx1 n PRO 42 Ca 0.32 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1cx1 n PRO 42 Cb 0.38 -0.40 -0.06 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.00 -0.13 0.00 0.55 0.00 -1.26 -3.90 107.32 102.57 1cx1 s GLY 43 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1cx1 s GLY 43 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1cx1 n GLY 44 N -0.00 0.93 3.91 0.20 0.00 -1.26 -5.11 105.19 103.86 1cx1 n GLY 44 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 0.14 3.45 -0.00 1.61 -1.52 -1.26 -5.05 119.66 117.03 1cx1 s GLN 45 Ca 0.00 -0.38 -0.01 0.00 -1.95 0.00 0.00 55.36 53.03 1cx1 s GLN 45 Cb 0.00 -3.06 -0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1cx1 s GLN 45 CO 0.00 0.64 -0.01 0.41 -0.25 0.00 0.00 175.29 176.07 1cx1 n GLY 46 N 0.58 -0.34 3.90 3.09 0.00 -1.26 -4.57 105.19 106.59 1cx1 n GLY 46 Ca -0.08 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.32 6.38 0.66 1.61 2.20 -1.26 -4.95 114.94 115.27 1cx1 s ASN 47 Ca -0.01 0.38 0.06 0.00 -0.94 0.00 0.00 52.86 52.35 1cx1 s ASN 47 Cb 0.00 -2.02 0.34 0.00 -2.00 0.00 0.00 41.25 37.57 1cx1 s ASN 47 CO 0.01 0.28 1.19 -0.65 -2.94 0.00 0.00 177.10 174.99 1cx1 h PRO 48 N 3.97 0.00 -0.53 3.55 0.11 -1.96 0.37 132.00 137.51 1cx1 h PRO 48 Ca -0.50 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.22 1cx1 h PRO 48 Cb 1.19 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 1cx1 h PRO 48 CO 0.67 0.00 -0.68 -2.67 -0.21 0.00 0.00 178.00 175.11 1cx1 n TRP 49 N -2.58 1.94 1.95 0.65 4.27 -1.26 -4.13 117.44 118.27 1cx1 n TRP 49 Ca -0.00 -2.02 0.16 0.00 -3.89 0.00 0.00 57.50 51.75 1cx1 n TRP 49 Cb 0.87 -0.34 0.93 0.00 -1.36 0.00 0.00 31.31 31.41 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 0.00 -3.59 -0.67 8.00 0.13 -4.72 116.55 114.86 1cx1 n ASP 50 Ca 0.37 -0.94 -0.02 0.00 0.71 0.00 0.00 54.79 54.91 1cx1 n ASP 50 Cb 0.89 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 s ALA 51 N -2.04 -2.26 0.00 2.24 0.00 -1.26 -3.79 121.76 114.65 1cx1 s ALA 51 Ca 0.46 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.66 1cx1 s ALA 51 Cb 0.22 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1cx1 s ALA 51 CO 0.37 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1cx1 n GLY 52 N 4.32 -1.63 3.17 0.00 0.00 -1.14 -3.24 105.19 106.67 1cx1 n GLY 52 Ca -0.16 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.68 0.99 4.77 -1.08 -3.06 117.00 114.94 1cx1 n LEU 53 Ca 0.00 -2.28 -0.06 0.00 -0.03 0.00 0.00 56.01 53.64 1cx1 n LEU 53 Cb 0.00 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1cx1 n LEU 53 CO 0.00 -0.57 0.66 -0.69 -1.33 0.00 0.00 177.39 175.46 1cx1 s VAL 54 N -2.17 0.00 -0.30 4.08 1.01 0.12 -2.35 120.40 120.78 1cx1 s VAL 54 Ca 0.33 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1cx1 s VAL 54 Cb -0.03 -1.67 0.20 0.00 0.00 0.00 0.00 36.38 34.89 1cx1 s VAL 54 CO 0.21 0.00 1.44 -0.47 0.00 0.00 0.00 175.10 176.28 1cx1 s TYR 55 N -3.35 -0.01 -0.61 5.22 5.04 -0.99 0.82 117.35 123.47 1cx1 s TYR 55 Ca 0.09 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.78 1cx1 s TYR 55 Cb -0.02 0.36 0.15 0.00 0.35 0.00 0.00 41.96 42.81 1cx1 s TYR 55 CO -0.01 -0.00 0.38 -0.80 -1.34 0.00 0.00 175.55 173.77 1cx1 s ASN 56 N 0.28 4.64 -0.45 4.32 0.02 -1.26 -1.52 114.94 120.96 1cx1 s ASN 56 Ca 0.04 -3.34 0.05 0.00 -1.02 0.00 0.00 52.86 48.58 1cx1 s ASN 56 Cb -0.04 -1.67 0.27 0.00 0.02 0.00 0.00 41.25 39.83 1cx1 s ASN 56 CO -0.15 -0.19 1.03 0.61 0.02 0.00 0.00 177.10 178.43 1cx1 n GLY 57 N 2.69 -0.14 2.90 0.66 0.00 -1.26 -4.63 105.19 105.41 1cx1 n GLY 57 Ca 0.11 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 1cx1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s VAL 58 N 0.46 -0.70 1.01 1.61 0.11 -1.26 -4.51 120.40 117.12 1cx1 s VAL 58 Ca 0.28 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.85 1cx1 s VAL 58 Cb 0.25 0.00 0.09 0.00 -1.53 0.00 0.00 36.38 35.19 1cx1 s VAL 58 CO -0.17 0.00 -0.04 -2.65 -3.33 0.00 0.00 175.10 168.91 1cx1 n PRO 59 N 3.54 -1.66 -4.01 1.54 -0.02 -1.26 -4.42 135.00 128.71 1cx1 n PRO 59 Ca 0.12 -0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 60.94 1cx1 n PRO 59 Cb 0.59 -1.44 -0.16 0.00 -0.02 0.00 0.00 33.50 32.47 1cx1 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 60 N -2.10 0.28 -0.76 -1.45 1.01 -1.17 -4.94 120.40 111.27 1cx1 s VAL 60 Ca 0.39 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1cx1 s VAL 60 Cb -0.05 -0.33 0.18 0.00 0.00 0.00 0.00 36.38 36.19 1cx1 s VAL 60 CO 0.45 0.15 0.58 -0.83 0.00 0.00 0.00 175.10 175.44 1cx1 s GLY 61 N 0.76 2.97 -0.38 4.51 0.00 -1.26 -1.78 107.32 112.14 1cx1 s GLY 61 Ca -0.08 -3.83 -0.36 0.00 0.00 0.00 0.00 44.72 40.45 1cx1 s GLY 61 CO -0.01 1.11 1.26 -2.21 0.00 0.00 0.00 173.10 173.26 1cx1 n GLU 62 N 2.11 0.00 0.00 2.90 2.13 -1.24 -1.70 120.64 124.84 1cx1 n GLU 62 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1cx1 n GLU 62 Cb 0.36 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cx1 n GLY 63 N 3.34 3.70 4.02 8.31 0.00 -0.16 -4.87 105.19 119.53 1cx1 n GLY 63 Ca 0.26 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 2.64 0.03 1.61 2.02 -0.69 -4.73 118.70 119.58 1cx1 s GLU 64 Ca 0.00 -1.38 0.09 0.00 0.02 0.00 0.00 54.97 53.70 1cx1 s GLU 64 Cb 0.00 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1cx1 s GLU 64 CO 0.00 -0.49 -0.25 -1.12 0.02 0.00 0.00 175.26 173.42 1cx1 s SER 65 N -4.46 3.25 0.48 -0.19 0.01 -1.26 0.26 113.70 111.79 1cx1 s SER 65 Ca 0.57 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 57.34 1cx1 s SER 65 Cb -0.08 -0.35 0.05 0.00 0.21 0.00 0.00 66.02 65.84 1cx1 s SER 65 CO 0.35 0.27 0.39 -1.22 0.41 0.00 0.00 173.24 173.44 1cx1 n TYR 66 N 1.87 -0.88 -3.70 2.43 4.02 -0.97 -4.69 117.16 115.23 1cx1 n TYR 66 Ca -0.17 -1.99 -0.11 0.00 -0.01 0.00 0.00 57.90 55.63 1cx1 n TYR 66 Cb 0.52 -0.40 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 1cx1 n TYR 66 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1cx1 s VAL 67 N -2.33 0.08 -0.17 -0.72 1.01 0.35 -2.77 120.40 115.85 1cx1 s VAL 67 Ca 0.30 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1cx1 s VAL 67 Cb -0.02 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.30 1cx1 s VAL 67 CO 0.19 -0.38 0.16 -0.22 0.00 0.00 0.00 175.10 174.85 1cx1 s LEU 68 N -2.57 0.05 -0.76 3.92 2.96 -0.74 -2.90 118.68 118.63 1cx1 s LEU 68 Ca 0.01 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1cx1 s LEU 68 Cb 0.02 0.15 0.19 0.00 0.50 0.00 0.00 46.19 47.05 1cx1 s LEU 68 CO -0.09 -0.32 0.63 -0.55 -1.32 0.00 0.00 176.35 174.70 1cx1 s SER 69 N 2.26 5.80 0.02 3.68 0.15 -1.12 -2.33 113.70 122.16 1cx1 s SER 69 Ca 0.05 -3.13 -0.13 0.00 0.70 0.00 0.00 55.95 53.43 1cx1 s SER 69 Cb -0.15 -1.94 -0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1cx1 s SER 69 CO -0.10 -0.34 0.39 0.72 1.20 0.00 0.00 173.24 175.11 1cx1 s PHE 70 N -0.48 3.68 -1.02 3.44 -0.12 -1.12 -2.99 117.98 119.37 1cx1 s PHE 70 Ca 0.21 0.90 -0.20 0.00 -0.05 0.00 0.00 56.93 57.79 1cx1 s PHE 70 Cb -0.14 -2.23 0.10 0.00 -0.63 0.00 0.00 43.02 40.12 1cx1 s PHE 70 CO -0.07 0.61 1.33 0.95 -0.05 0.00 0.00 175.22 177.99 1cx1 s THR 71 N -1.17 4.37 0.14 -4.49 -4.23 -1.11 -2.40 115.64 106.75 1cx1 s THR 71 Ca 0.26 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1cx1 s THR 71 Cb -0.16 -4.94 -0.04 0.00 1.34 0.00 0.00 72.50 68.71 1cx1 s THR 71 CO 0.14 -1.74 -0.13 0.00 -0.54 0.00 0.00 174.62 172.36 1cx1 s ALA 72 N 3.68 1.55 -0.14 3.99 0.00 -1.03 0.21 121.76 130.03 1cx1 s ALA 72 Ca 0.41 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1cx1 s ALA 72 Cb -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.13 1cx1 s ALA 72 CO -0.08 0.04 0.28 -1.54 0.00 0.00 0.00 175.76 174.46 1cx1 s SER 73 N -2.78 0.29 -0.02 0.00 1.04 -0.99 -3.26 113.70 107.97 1cx1 s SER 73 Ca 0.13 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1cx1 s SER 73 Cb -0.02 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.81 1cx1 s SER 73 CO 0.03 -0.24 0.63 0.00 0.98 0.00 0.00 173.24 174.64 1cx1 s ALA 74 N 2.43 3.44 -0.13 5.32 0.00 -0.33 -2.89 121.76 129.59 1cx1 s ALA 74 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 1cx1 s ALA 74 Cb -0.12 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.23 1cx1 s ALA 74 CO -0.09 0.08 -0.03 0.95 0.00 0.00 0.00 175.76 176.67 1cx1 s THR 75 N 0.12 0.80 0.00 0.00 -4.23 -0.95 -3.09 115.64 108.29 1cx1 s THR 75 Ca 0.33 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1cx1 s THR 75 Cb -0.18 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1cx1 s THR 75 CO 0.17 0.17 0.00 -2.65 -0.54 0.00 0.00 174.62 171.78 1cx1 n PRO 76 N 4.99 3.05 -4.11 3.99 -0.02 -1.26 -1.35 135.00 140.29 1cx1 n PRO 76 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.11 1cx1 n PRO 76 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.91 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s ASP 77 N -1.70 5.35 0.00 2.55 1.11 -1.25 -4.51 116.67 118.22 1cx1 s ASP 77 Ca 0.00 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.54 1cx1 s ASP 77 Cb 0.00 -1.34 0.00 0.00 1.07 0.00 0.00 42.92 42.65 1cx1 s ASP 77 CO 0.00 0.07 0.00 0.23 1.18 0.00 0.00 175.17 176.65 1cx1 n MET 78 N -0.28 0.00 -2.93 8.23 2.81 -1.16 -5.03 117.12 118.76 1cx1 n MET 78 Ca -0.09 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.40 1cx1 n MET 78 Cb 0.55 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.01 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 4.50 0.48 0.03 0.04 -1.26 -2.34 135.00 134.44 1cx1 s PRO 79 Ca 0.00 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.20 1cx1 s PRO 79 Cb 0.00 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1cx1 s PRO 79 CO 0.00 0.11 0.43 0.14 0.04 0.00 0.00 177.00 177.73 1cx1 s VAL 80 N 0.54 2.23 -0.35 -0.36 -7.23 -0.82 -4.91 120.40 109.51 1cx1 s VAL 80 Ca 0.42 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1cx1 s VAL 80 Cb -0.20 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.25 1cx1 s VAL 80 CO 0.23 0.00 0.10 -0.60 -0.31 0.00 0.00 175.10 174.52 1cx1 s ARG 81 N -4.24 1.14 0.16 4.82 3.52 -1.11 -2.99 118.95 120.26 1cx1 s ARG 81 Ca 0.45 -1.57 0.04 0.00 -0.13 0.00 0.00 55.73 54.51 1cx1 s ARG 81 Cb -0.03 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1cx1 s ARG 81 CO 0.27 -1.00 0.22 0.14 -0.81 0.00 0.00 175.30 174.12 1cx1 s VAL 82 N 1.09 4.93 0.07 7.11 -7.23 -1.24 -3.02 120.40 122.11 1cx1 s VAL 82 Ca 0.12 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.29 1cx1 s VAL 82 Cb -0.19 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.22 1cx1 s VAL 82 CO -0.14 -0.11 0.22 -1.48 -0.31 0.00 0.00 175.10 173.27 1cx1 s LEU 83 N -3.22 1.28 0.17 1.32 2.34 -1.16 -3.06 118.68 116.35 1cx1 s LEU 83 Ca 0.33 -0.50 -0.14 0.00 0.06 0.00 0.00 54.13 53.88 1cx1 s LEU 83 Cb -0.10 1.11 0.01 0.00 -0.56 0.00 0.00 46.19 46.64 1cx1 s LEU 83 CO 0.26 -0.68 0.41 -0.69 -1.06 0.00 0.00 176.35 174.59 1cx1 s VAL 84 N -3.35 0.05 -5.00 1.48 1.01 -1.07 -2.50 120.40 111.03 1cx1 s VAL 84 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1cx1 s VAL 84 Cb 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1cx1 s VAL 84 CO -0.08 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1cx1 n GLY 85 N -0.27 0.47 0.00 4.51 0.00 -0.35 -2.55 105.19 107.00 1cx1 n GLY 85 Ca -0.10 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 2.75 -2.67 1.61 0.28 -1.26 -0.38 120.64 120.97 1cx1 n GLU 86 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1cx1 n GLU 86 Cb 0.00 0.00 0.06 0.00 1.43 0.00 0.00 31.44 32.93 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cx1 n GLY 87 N 5.00 -1.64 0.00 -1.84 0.00 -1.25 -4.64 105.19 100.82 1cx1 n GLY 87 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 1.84 0.09 0.00 -0.02 0.00 -1.26 -4.31 105.19 101.53 1cx1 n GLY 88 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.10 -2.93 1.58 -0.02 0.00 -1.26 -4.03 105.19 98.63 1cx1 n GLY 89 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.00 1.86 -3.97 4.61 0.00 -1.26 -4.62 120.51 114.12 1cx1 n ALA 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1cx1 n ALA 90 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 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 1.54 -1.03 -2.71 0.00 4.02 -1.26 -4.79 117.16 112.94 1cx1 n TYR 91 Ca 0.00 0.38 -0.43 0.00 -0.01 0.00 0.00 57.90 57.84 1cx1 n TYR 91 Cb 0.09 -2.23 -0.03 0.00 -0.02 0.00 0.00 39.34 37.15 1cx1 n TYR 91 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1cx1 s ARG 92 N -6.64 3.86 0.45 -0.72 1.70 -1.26 -4.95 118.95 111.38 1cx1 s ARG 92 Ca 0.09 0.69 0.07 0.00 -0.47 0.00 0.00 55.73 56.11 1cx1 s ARG 92 Cb -0.05 -3.82 -0.02 0.00 -0.57 0.00 0.00 34.95 30.49 1cx1 s ARG 92 CO 0.80 -1.06 0.28 -0.08 -1.08 0.00 0.00 175.30 174.16 1cx1 s THR 93 N 3.78 2.22 0.00 4.99 -1.32 -1.26 -4.37 115.64 119.67 1cx1 s THR 93 Ca 0.42 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 1cx1 s THR 93 Cb -0.11 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1cx1 s THR 93 CO 0.21 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.62 1cx1 n ALA 94 N -1.44 1.52 -0.58 11.08 0.00 -1.25 -4.69 120.51 125.16 1cx1 n ALA 94 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1cx1 n ALA 94 Cb 0.64 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.10 1.73 -2.16 0.00 -0.00 -1.06 -4.83 117.46 110.04 1cx1 n PHE 95 Ca 0.00 -1.67 -0.31 0.00 -0.00 0.00 0.00 57.45 55.47 1cx1 n PHE 95 Cb 0.00 -0.83 -0.05 0.00 -0.00 0.00 0.00 39.48 38.60 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1cx1 s GLU 96 N -1.95 2.77 0.19 -4.13 -1.05 -1.26 -2.59 118.70 110.68 1cx1 s GLU 96 Ca 0.33 -1.15 0.05 0.00 -0.15 0.00 0.00 54.97 54.05 1cx1 s GLU 96 Cb 0.27 -5.26 -0.04 0.00 -0.44 0.00 0.00 34.13 28.66 1cx1 s GLU 96 CO 0.03 -3.57 0.22 -1.14 0.95 0.00 0.00 175.26 171.75 1cx1 s GLN 97 N 6.17 3.13 0.00 -4.83 0.74 -1.17 -5.00 119.66 118.68 1cx1 s GLN 97 Ca 0.66 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1cx1 s GLN 97 Cb -0.01 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.36 1cx1 s GLN 97 CO 0.09 0.47 0.27 0.41 -0.55 0.00 0.00 175.29 175.98 1cx1 n GLY 98 N -0.75 -1.16 2.68 2.59 0.00 -1.26 -3.67 105.19 103.61 1cx1 n GLY 98 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 3.25 -3.92 1.61 7.64 -1.26 -4.57 113.62 116.36 1cx1 n SER 99 Ca 0.00 -3.29 -0.29 0.00 1.01 0.00 0.00 58.87 56.29 1cx1 n SER 99 Cb 0.45 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.88 3.45 0.09 -0.43 0.00 -1.16 -4.97 121.76 116.87 1cx1 s ALA 100 Ca 0.32 -3.46 -0.31 0.00 0.00 0.00 0.00 51.96 48.51 1cx1 s ALA 100 Cb 0.05 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1cx1 s ALA 100 CO -0.10 -2.05 1.53 -2.14 0.00 0.00 0.00 175.76 173.00 1cx1 s PRO 101 N -0.69 4.24 0.09 0.00 0.02 -1.26 -1.94 135.00 135.46 1cx1 s PRO 101 Ca 0.20 2.23 0.09 0.00 0.02 0.00 0.00 61.00 63.54 1cx1 s PRO 101 Cb -0.18 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 1cx1 s PRO 101 CO -0.06 -0.61 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.26 1cx1 s LEU 102 N 1.85 2.41 0.00 -5.54 2.01 -0.99 -4.97 118.68 113.44 1cx1 s LEU 102 Ca 0.69 -0.61 0.00 0.00 0.01 0.00 0.00 54.13 54.22 1cx1 s LEU 102 Cb -0.39 -1.36 0.01 0.00 0.01 0.00 0.00 46.19 44.46 1cx1 s LEU 102 CO 0.31 0.21 0.05 1.07 1.01 0.00 0.00 176.35 179.00 1cx1 n THR 103 N 1.23 0.00 -1.40 5.49 5.66 -1.26 -2.97 114.28 121.03 1cx1 n THR 103 Ca -0.17 -0.11 -0.28 0.00 -3.05 0.00 0.00 64.05 60.45 1cx1 n THR 103 Cb 0.52 -1.09 0.11 0.00 -1.55 0.00 0.00 70.33 68.33 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N 4.56 5.48 3.43 1.09 0.00 -1.18 -1.18 105.19 117.39 1cx1 n GLY 104 Ca 0.01 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.60 0.87 -0.48 1.61 2.02 -1.26 -4.95 118.70 112.91 1cx1 s GLU 105 Ca 0.59 0.22 -0.46 0.00 0.02 0.00 0.00 54.97 55.34 1cx1 s GLU 105 Cb 0.48 0.41 -0.19 0.00 0.10 0.00 0.00 34.13 34.92 1cx1 s GLU 105 CO 0.03 -0.24 1.71 -2.30 0.02 0.00 0.00 175.26 174.47 1cx1 n PRO 106 N 1.35 0.11 -3.63 0.39 -0.02 -1.26 -4.68 135.00 127.26 1cx1 n PRO 106 Ca -0.19 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.21 1cx1 n PRO 106 Cb 0.56 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 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 3.59 -1.82 0.26 3.55 0.00 -1.20 -5.03 121.76 121.11 1cx1 s ALA 107 Ca 1.07 2.08 -0.09 0.00 0.00 0.00 0.00 51.96 55.02 1cx1 s ALA 107 Cb -1.46 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 1cx1 s ALA 107 CO 0.78 -0.34 0.58 0.95 0.00 0.00 0.00 175.76 177.73 1cx1 s THR 108 N 0.57 4.93 0.01 0.00 -4.23 -1.26 -2.46 115.64 113.19 1cx1 s THR 108 Ca -0.01 0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 1cx1 s THR 108 Cb -0.05 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 1cx1 s THR 108 CO -0.03 -0.17 -0.21 -0.13 -0.54 0.00 0.00 174.62 173.54 1cx1 s ARG 109 N -3.09 1.55 -0.35 3.99 3.00 -1.01 -4.94 118.95 118.10 1cx1 s ARG 109 Ca 0.47 -0.83 -0.02 0.00 0.00 0.00 0.00 55.73 55.36 1cx1 s ARG 109 Cb -0.11 -1.57 0.08 0.00 0.00 0.00 0.00 34.95 33.35 1cx1 s ARG 109 CO 0.24 0.42 0.09 -1.21 0.00 0.00 0.00 175.30 174.84 1cx1 s GLU 110 N -0.79 2.14 -0.23 3.54 2.02 -1.25 -2.81 118.70 121.32 1cx1 s GLU 110 Ca 0.08 -1.57 -0.05 0.00 0.02 0.00 0.00 54.97 53.45 1cx1 s GLU 110 Cb -0.08 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1cx1 s GLU 110 CO 0.00 -0.85 -0.00 0.71 0.02 0.00 0.00 175.26 175.14 1cx1 s TYR 111 N 1.17 3.00 0.35 1.61 2.02 -0.98 -4.85 117.35 119.66 1cx1 s TYR 111 Ca 0.02 -0.75 0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1cx1 s TYR 111 Cb -0.21 -2.15 -0.07 0.00 -0.40 0.00 0.00 41.96 39.13 1cx1 s TYR 111 CO -0.03 -0.48 0.03 0.00 -1.57 0.00 0.00 175.55 173.50 1cx1 s ALA 112 N 1.51 2.66 0.30 3.71 0.00 -1.26 -1.79 121.76 126.90 1cx1 s ALA 112 Ca 0.06 -2.14 -0.07 0.00 0.00 0.00 0.00 51.96 49.80 1cx1 s ALA 112 Cb -0.15 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1cx1 s ALA 112 CO -0.01 -0.22 0.53 1.97 0.00 0.00 0.00 175.76 178.02 1cx1 n PHE 113 N -0.78 -1.73 -3.77 0.00 -1.74 -1.12 -4.95 117.46 103.36 1cx1 n PHE 113 Ca -0.03 -1.64 -0.37 0.00 -0.56 0.00 0.00 57.45 54.84 1cx1 n PHE 113 Cb 0.67 0.61 -0.12 0.00 1.52 0.00 0.00 39.48 42.16 1cx1 n PHE 113 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1cx1 s THR 114 N -2.48 3.51 -0.01 1.97 -4.23 -1.26 -2.30 115.64 110.85 1cx1 s THR 114 Ca 0.17 -1.51 -0.32 0.00 -1.18 0.00 0.00 61.69 58.84 1cx1 s THR 114 Cb -0.03 -3.15 -0.16 0.00 1.34 0.00 0.00 72.50 70.51 1cx1 s THR 114 CO 0.12 -0.37 0.86 -1.20 -0.54 0.00 0.00 174.62 173.50 1cx1 n SER 115 N 4.72 0.01 0.00 3.99 7.64 0.74 -4.75 113.62 125.97 1cx1 n SER 115 Ca -0.09 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1cx1 n SER 115 Cb 0.43 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.24 0.21 -3.71 6.43 5.03 -1.26 -0.99 115.26 122.21 1cx1 n ASN 116 Ca 0.16 -0.55 -0.11 0.00 0.87 0.00 0.00 54.58 54.95 1cx1 n ASN 116 Cb 0.06 0.53 -0.12 0.00 -1.02 0.00 0.00 39.78 39.24 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1cx1 s LEU 117 N -1.07 0.17 -0.40 3.41 1.98 -1.26 -4.83 118.68 116.68 1cx1 s LEU 117 Ca 0.00 0.70 -0.29 0.00 -2.89 0.00 0.00 54.13 51.65 1cx1 s LEU 117 Cb 0.00 1.03 0.02 0.00 0.66 0.00 0.00 46.19 47.90 1cx1 s LEU 117 CO 0.00 -0.18 1.10 0.42 -1.89 0.00 0.00 176.35 175.80 1cx1 s THR 118 N 1.33 4.37 0.04 3.68 -4.23 -1.26 -3.65 115.64 115.93 1cx1 s THR 118 Ca -0.09 1.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.91 1cx1 s THR 118 Cb -0.09 -4.50 -0.04 0.00 1.34 0.00 0.00 72.50 69.21 1cx1 s THR 118 CO -0.11 -0.74 -0.04 -0.36 -0.54 0.00 0.00 174.62 172.84 1cx1 s PHE 119 N 4.03 2.93 0.88 3.99 0.08 -0.73 -4.94 117.98 124.21 1cx1 s PHE 119 Ca 0.46 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.36 1cx1 s PHE 119 Cb -0.10 -1.57 0.12 0.00 -0.57 0.00 0.00 43.02 40.90 1cx1 s PHE 119 CO 0.23 0.43 1.10 -1.25 -0.10 0.00 0.00 175.22 175.63 1cx1 s PRO 120 N -1.84 1.43 0.02 0.24 0.04 -1.26 -3.05 135.00 130.58 1cx1 s PRO 120 Ca 0.21 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 1cx1 s PRO 120 Cb -0.11 -1.84 -0.35 0.00 0.04 0.00 0.00 34.50 32.24 1cx1 s PRO 120 CO 0.12 -2.07 0.95 -1.00 0.04 0.00 0.00 177.00 175.03 1cx1 h PRO 121 N -1.42 0.51 0.00 0.56 0.13 -1.96 -3.32 132.00 126.50 1cx1 h PRO 121 Ca -0.49 -0.87 0.00 0.00 -0.87 0.00 0.00 66.00 63.77 1cx1 h PRO 121 Cb 1.29 0.32 0.00 0.00 0.13 0.00 0.00 31.00 32.74 1cx1 h PRO 121 CO 0.58 1.41 0.00 -0.25 -0.23 0.00 0.00 178.00 179.51 1cx1 n ASP 122 N -3.69 0.16 0.00 1.44 8.00 -1.26 -4.14 116.55 117.07 1cx1 n ASP 122 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1cx1 n ASP 122 Cb 1.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cx1 n GLY 123 N 4.39 0.75 0.41 0.44 0.00 -1.26 -3.89 105.19 106.02 1cx1 n GLY 123 Ca 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1cx1 n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cx1 n ASP 124 N 0.00 2.64 -2.69 1.61 5.68 -1.26 -4.71 116.55 117.81 1cx1 n ASP 124 Ca 0.00 -2.10 -0.06 0.00 -0.50 0.00 0.00 54.79 52.13 1cx1 n ASP 124 Cb 0.00 -0.18 0.08 0.00 -1.14 0.00 0.00 41.12 39.89 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cx1 n ALA 125 N 0.03 -0.65 -1.00 2.12 0.00 -1.26 -4.72 120.51 115.02 1cx1 n ALA 125 Ca 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1cx1 n ALA 125 Cb 0.40 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N -0.16 1.29 -1.11 0.00 -0.04 -1.25 -3.78 135.00 129.94 1cx1 n PRO 126 Ca -0.06 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 1cx1 n PRO 126 Cb 0.76 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.24 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 127 N 3.52 -3.99 3.44 0.55 0.00 -1.25 -4.16 105.19 103.31 1cx1 n GLY 127 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1cx1 n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cx1 s GLN 128 N -1.53 0.62 -0.04 1.61 0.74 0.49 -4.14 119.66 117.41 1cx1 s GLN 128 Ca 0.48 0.81 -0.21 0.00 0.05 0.00 0.00 55.36 56.49 1cx1 s GLN 128 Cb -0.33 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.08 1cx1 s GLN 128 CO 0.75 -0.09 0.45 0.54 -0.55 0.00 0.00 175.29 176.39 1cx1 s VAL 129 N 0.55 0.03 -0.29 1.34 0.11 -0.58 -1.21 120.40 120.36 1cx1 s VAL 129 Ca -0.02 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 1cx1 s VAL 129 Cb -0.04 -0.75 0.15 0.00 -1.53 0.00 0.00 36.38 34.20 1cx1 s VAL 129 CO -0.03 -0.15 0.60 0.00 -3.33 0.00 0.00 175.10 172.19 1cx1 s ALA 130 N -1.18 -2.04 -0.57 1.54 0.00 -1.04 -2.34 121.76 116.15 1cx1 s ALA 130 Ca -0.12 2.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 1cx1 s ALA 130 Cb -0.03 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.23 1cx1 s ALA 130 CO 0.06 -1.09 0.98 -0.06 0.00 0.00 0.00 175.76 175.64 1cx1 s PHE 131 N 2.85 2.75 -0.27 0.00 0.08 -0.99 -2.99 117.98 119.42 1cx1 s PHE 131 Ca 0.06 -0.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.99 1cx1 s PHE 131 Cb -0.13 -4.15 -0.05 0.00 -0.57 0.00 0.00 43.02 38.12 1cx1 s PHE 131 CO -0.19 -1.41 0.21 -1.01 -0.10 0.00 0.00 175.22 172.71 1cx1 s HIS 132 N 4.10 3.25 -0.44 0.36 3.76 -1.17 -2.65 115.29 122.51 1cx1 s HIS 132 Ca 0.31 0.18 0.07 0.00 -0.15 0.00 0.00 55.06 55.48 1cx1 s HIS 132 Cb -0.12 -2.38 0.27 0.00 1.11 0.00 0.00 32.58 31.46 1cx1 s HIS 132 CO 0.19 -0.11 0.82 1.47 -0.85 0.00 0.00 174.74 176.26 1cx1 n LEU 133 N 4.90 -1.51 -3.21 0.89 -0.00 -1.20 -2.73 117.00 114.14 1cx1 n LEU 133 Ca -0.14 -3.97 -0.01 0.00 -0.00 0.00 0.00 56.01 51.90 1cx1 n LEU 133 Cb 0.52 0.79 -0.03 0.00 -0.00 0.00 0.00 43.42 44.70 1cx1 n LEU 133 CO 0.34 2.07 0.06 -0.83 -0.00 0.00 0.00 177.39 179.03 1cx1 s GLY 134 N -1.57 -0.93 0.20 1.47 0.00 -1.26 -4.59 107.32 100.64 1cx1 s GLY 134 Ca 0.32 1.06 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 1cx1 s GLY 134 CO -0.15 3.33 0.34 0.28 0.00 0.00 0.00 173.10 176.90 1cx1 n LYS 135 N 5.40 0.49 0.07 2.90 5.02 -1.26 -4.44 118.16 126.34 1cx1 n LYS 135 Ca 0.01 -1.40 0.01 0.00 -2.02 0.00 0.00 58.31 54.91 1cx1 n LYS 135 Cb 0.52 1.50 0.06 0.00 -0.02 0.00 0.00 35.03 37.09 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cx1 n ALA 136 N -1.71 0.25 0.24 7.82 0.00 -1.26 0.46 120.51 126.32 1cx1 n ALA 136 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1cx1 n ALA 136 Cb 0.32 -0.28 0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.18 0.01 2.62 0.00 0.00 -1.26 -4.94 105.19 100.43 1cx1 n GLY 137 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 0.41 -5.11 -2.00 4.61 0.00 1.65 -4.95 120.51 115.12 1cx1 n ALA 138 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1cx1 n ALA 138 Cb 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.68 0.00 -3.96 0.00 0.18 0.67 -4.74 117.16 106.62 1cx1 n TYR 139 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.63 1cx1 n TYR 139 Cb 0.59 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.41 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 1.87 0.14 -0.15 -3.48 2.02 -0.46 -0.66 118.70 117.98 1cx1 s GLU 140 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1cx1 s GLU 140 Cb 0.00 -0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.10 1cx1 s GLU 140 CO 0.00 0.03 -0.15 0.12 0.02 0.00 0.00 175.26 175.29 1cx1 s PHE 141 N 0.00 2.18 -0.35 1.61 5.36 -1.19 -2.23 117.98 123.36 1cx1 s PHE 141 Ca 0.00 -1.22 0.02 0.00 -0.96 0.00 0.00 56.93 54.77 1cx1 s PHE 141 Cb -0.01 -1.60 0.09 0.00 -0.34 0.00 0.00 43.02 41.16 1cx1 s PHE 141 CO -0.00 -0.66 0.07 0.00 -1.46 0.00 0.00 175.22 173.17 1cx1 s ILE 143 N 1.01 5.33 -0.03 0.00 2.07 -0.16 -2.35 121.20 127.06 1cx1 s ILE 143 Ca 0.07 0.15 0.12 0.00 -1.41 0.00 0.00 60.65 59.58 1cx1 s ILE 143 Cb -0.20 -3.36 -0.18 0.00 0.13 0.00 0.00 42.46 38.85 1cx1 s ILE 143 CO -0.06 0.54 0.23 -1.54 -1.91 0.00 0.00 174.94 172.20 1cx1 n SER 144 N 2.66 2.29 -2.21 4.50 3.41 0.13 -0.70 113.62 123.70 1cx1 n SER 144 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1cx1 n SER 144 Cb 0.54 1.44 0.01 0.00 -0.26 0.00 0.00 64.21 65.94 1cx1 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 n GLN 145 N -1.97 0.27 -3.15 4.33 10.64 -1.25 -1.05 117.38 125.19 1cx1 n GLN 145 Ca -0.04 -0.66 0.04 0.00 -1.83 0.00 0.00 57.00 54.51 1cx1 n GLN 145 Cb 0.38 0.92 -0.01 0.00 -0.86 0.00 0.00 30.24 30.67 1cx1 n GLN 145 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1cx1 s VAL 146 N -2.26 -0.93 -0.04 -0.39 0.11 -1.26 -2.74 120.40 112.88 1cx1 s VAL 146 Ca 0.12 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1cx1 s VAL 146 Cb -0.01 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1cx1 s VAL 146 CO 0.02 0.00 0.08 -0.44 -3.33 0.00 0.00 175.10 171.43 1cx1 s SER 147 N 2.87 5.71 -0.24 3.54 0.01 -1.16 -4.26 113.70 120.17 1cx1 s SER 147 Ca 0.18 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1cx1 s SER 147 Cb -0.14 -1.68 0.06 0.00 0.21 0.00 0.00 66.02 64.47 1cx1 s SER 147 CO -0.21 0.32 -0.07 -0.22 0.41 0.00 0.00 173.24 173.47 1cx1 s LEU 148 N -1.43 2.81 0.26 2.44 1.98 -1.26 -2.79 118.68 120.70 1cx1 s LEU 148 Ca 0.19 -1.23 0.03 0.00 -2.89 0.00 0.00 54.13 50.24 1cx1 s LEU 148 Cb -0.12 -1.29 -0.05 0.00 0.66 0.00 0.00 46.19 45.39 1cx1 s LEU 148 CO 0.10 -0.22 0.04 0.28 -1.89 0.00 0.00 176.35 174.66 1cx1 s THR 149 N 1.31 0.91 0.00 3.68 -1.32 -1.14 -2.36 115.64 116.72 1cx1 s THR 149 Ca -0.07 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.40 1cx1 s THR 149 Cb -0.19 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1cx1 s THR 149 CO -0.06 -0.16 0.00 1.07 -2.21 0.00 0.00 174.62 173.26 1cx1 n THR 150 N -0.48 0.00 -2.27 5.08 5.66 -1.26 -0.49 114.28 120.51 1cx1 n THR 150 Ca -0.03 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.94 1cx1 n THR 150 Cb 0.65 -0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 151 N -1.61 -3.02 -4.04 1.09 2.88 -1.26 -4.76 113.62 102.90 1cx1 n SER 151 Ca 0.00 1.21 -0.32 0.00 -1.33 0.00 0.00 58.87 58.43 1cx1 n SER 151 Cb 0.00 -4.40 -0.14 0.00 -0.75 0.00 0.00 64.21 58.92 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 s ALA 152 N -0.51 2.98 -0.24 -1.46 0.00 -1.26 -4.83 121.76 116.44 1cx1 s ALA 152 Ca -0.16 -2.58 0.02 0.00 0.00 0.00 0.00 51.96 49.24 1cx1 s ALA 152 Cb 0.01 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.07 1cx1 s ALA 152 CO 0.43 -1.73 0.56 2.41 0.00 0.00 0.00 175.76 177.43