#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cx1 s LEU 2 N 0.00 -0.04 -0.10 2.41 0.05 -0.64 -1.04 118.68 119.32 2cx1 s LEU 2 Ca 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 54.13 54.12 2cx1 s LEU 2 Cb 0.00 1.20 0.03 0.00 -2.05 0.00 0.00 46.19 45.37 2cx1 s LEU 2 CO 0.00 -0.14 -0.00 0.86 -0.55 0.00 0.00 176.35 176.51 2cx1 s TRP 3 N -2.22 0.88 0.30 3.48 -0.11 -1.26 -0.13 118.94 119.88 2cx1 s TRP 3 Ca 0.13 -0.41 0.11 0.00 1.22 0.00 0.00 56.10 57.15 2cx1 s TRP 3 Cb 0.04 -0.92 -0.05 0.00 -1.50 0.00 0.00 33.47 31.04 2cx1 s TRP 3 CO -0.05 -0.42 -0.13 0.00 -4.62 0.00 0.00 176.95 171.74 2cx1 s ALA 4 N 1.91 2.90 0.55 5.86 0.00 -0.10 -4.95 121.76 127.93 2cx1 s ALA 4 Ca 0.04 -1.91 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 2cx1 s ALA 4 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2cx1 s ALA 4 CO -0.06 0.21 1.29 0.50 0.00 0.00 0.00 175.76 177.69 2cx1 s ARG 5 N -3.58 3.14 0.00 0.00 3.52 -1.26 -0.70 118.95 120.07 2cx1 s ARG 5 Ca 0.31 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 2cx1 s ARG 5 Cb -0.03 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 2cx1 s ARG 5 CO 0.16 -1.13 0.00 1.28 -0.81 0.00 0.00 175.30 174.80 2cx1 n LEU 6 N -1.14 0.00 0.11 -0.88 4.77 -1.26 -4.24 117.00 114.36 2cx1 n LEU 6 Ca 0.11 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 2cx1 n LEU 6 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2cx1 n LEU 6 CO 0.50 0.00 0.15 -0.37 -1.33 0.00 0.00 177.39 176.34 2cx1 h VAL 7 N 0.00 0.26 0.00 4.08 -1.51 -1.88 -3.50 116.25 113.70 2cx1 h VAL 7 Ca 0.00 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 2cx1 h VAL 7 Cb 0.00 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2cx1 h VAL 7 CO 0.00 0.15 0.00 0.61 -1.23 0.00 0.00 177.57 177.10 2cx1 n GLY 8 N 1.23 0.08 3.72 5.19 0.00 0.12 -4.37 105.19 111.16 2cx1 n GLY 8 Ca -0.01 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2cx1 n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cx1 s LEU 9 N 0.00 4.38 -0.06 0.99 2.96 -1.26 -0.92 118.68 124.76 2cx1 s LEU 9 Ca 0.00 2.44 0.03 0.00 -0.22 0.00 0.00 54.13 56.39 2cx1 s LEU 9 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2cx1 s LEU 9 CO 0.00 -0.68 -0.16 0.00 -1.32 0.00 0.00 176.35 174.18 2cx1 s ALA 10 N 0.86 1.55 -0.17 5.97 0.00 0.82 -4.31 121.76 126.47 2cx1 s ALA 10 Ca 0.64 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 2cx1 s ALA 10 Cb -0.39 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2cx1 s ALA 10 CO 0.33 0.21 0.34 1.03 0.00 0.00 0.00 175.76 177.67 2cx1 s ARG 11 N 0.36 4.23 -0.02 0.00 0.52 -0.43 -1.62 118.95 121.99 2cx1 s ARG 11 Ca -0.11 0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2cx1 s ARG 11 Cb -0.15 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2cx1 s ARG 11 CO 0.04 0.12 -0.01 -0.51 0.02 0.00 0.00 175.30 174.97 2cx1 s LEU 12 N 0.81 3.49 -0.07 2.53 1.02 -0.20 -0.56 118.68 125.70 2cx1 s LEU 12 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.34 2cx1 s LEU 12 Cb -0.14 -1.96 0.02 0.00 0.02 0.00 0.00 46.19 44.13 2cx1 s LEU 12 CO 0.06 0.30 -0.04 -1.61 0.02 0.00 0.00 176.35 175.07 2cx1 s GLU 13 N -1.41 1.01 0.07 1.70 2.02 -0.09 -2.81 118.70 119.20 2cx1 s GLU 13 Ca 0.18 -0.10 0.06 0.00 0.02 0.00 0.00 54.97 55.12 2cx1 s GLU 13 Cb -0.11 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 2cx1 s GLU 13 CO 0.08 -0.19 -0.15 0.00 0.02 0.00 0.00 175.26 175.03 2cx1 s ALA 14 N 1.42 1.27 0.13 5.21 0.00 -1.26 -0.45 121.76 128.07 2cx1 s ALA 14 Ca -0.03 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 2cx1 s ALA 14 Cb -0.13 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2cx1 s ALA 14 CO -0.03 0.20 0.45 -0.98 0.00 0.00 0.00 175.76 175.40 2cx1 s ARG 15 N -1.71 1.11 0.52 0.00 1.70 -0.76 -5.00 118.95 114.80 2cx1 s ARG 15 Ca -0.00 -0.62 -0.19 0.00 -0.47 0.00 0.00 55.73 54.45 2cx1 s ARG 15 Cb -0.10 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.71 2cx1 s ARG 15 CO 0.02 -0.44 1.05 0.00 -1.08 0.00 0.00 175.30 174.85 2cx1 s ALA 16 N -3.67 2.82 0.52 7.88 0.00 -1.26 -0.92 121.76 127.13 2cx1 s ALA 16 Ca 0.02 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 2cx1 s ALA 16 Cb 0.01 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2cx1 s ALA 16 CO -0.11 -0.47 1.05 -0.51 0.00 0.00 0.00 175.76 175.71 2cx1 s LEU 17 N -3.73 3.74 0.82 0.00 1.43 -0.91 -4.76 118.68 115.27 2cx1 s LEU 17 Ca 0.67 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 2cx1 s LEU 17 Cb -0.17 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.58 2cx1 s LEU 17 CO 0.24 -0.90 1.15 -0.94 0.23 0.00 0.00 176.35 176.13 2cx1 s SER 18 N -2.22 4.37 0.20 2.29 1.04 -1.26 -4.82 113.70 113.30 2cx1 s SER 18 Ca 0.66 0.92 -0.11 0.00 0.48 0.00 0.00 55.95 57.91 2cx1 s SER 18 Cb -0.16 -1.50 0.13 0.00 0.10 0.00 0.00 66.02 64.59 2cx1 s SER 18 CO 0.25 -2.01 1.86 0.50 0.98 0.00 0.00 173.24 174.83 2cx1 h LYS 19 N -1.12 0.94 -0.65 4.02 3.64 -1.99 -0.36 116.57 121.04 2cx1 h LYS 19 Ca -0.47 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 2cx1 h LYS 19 Cb 1.31 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2cx1 h LYS 19 CO 0.64 0.63 0.26 -0.22 -2.27 0.00 0.00 179.45 178.50 2cx1 h LYS 20 N 0.96 0.97 -0.55 1.90 3.64 -2.00 -1.77 116.57 119.73 2cx1 h LYS 20 Ca 0.26 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2cx1 h LYS 20 Cb -0.09 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2cx1 h LYS 20 CO -0.05 0.81 -0.09 0.93 -2.27 0.00 0.00 179.45 178.78 2cx1 h GLU 21 N 0.92 1.01 -0.51 1.90 5.08 -1.82 -0.94 114.58 120.22 2cx1 h GLU 21 Ca 0.22 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2cx1 h GLU 21 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2cx1 h GLU 21 CO -0.02 1.04 0.25 -0.09 -1.00 0.00 0.00 179.01 179.19 2cx1 h ARG 22 N 0.91 0.73 -0.43 2.33 2.43 -0.86 0.30 114.38 119.78 2cx1 h ARG 22 Ca 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2cx1 h ARG 22 Cb 0.65 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2cx1 h ARG 22 CO 0.04 0.60 0.20 -0.09 -1.51 0.00 0.00 179.97 179.21 2cx1 h ARG 23 N 0.67 0.63 -0.75 0.20 2.43 -1.11 -2.19 114.38 114.27 2cx1 h ARG 23 Ca 0.17 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2cx1 h ARG 23 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2cx1 h ARG 23 CO -0.02 0.56 0.34 1.03 -1.51 0.00 0.00 179.97 180.37 2cx1 h SER 24 N 0.56 1.00 -0.32 -3.80 0.87 -0.80 -1.32 113.55 109.74 2cx1 h SER 24 Ca 0.15 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2cx1 h SER 24 Cb 0.15 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 2cx1 h SER 24 CO -0.02 0.87 0.08 0.25 -0.53 0.00 0.00 176.83 177.48 2cx1 h LEU 25 N 1.06 0.04 -1.11 2.23 5.85 -0.10 0.61 115.31 123.89 2cx1 h LEU 25 Ca 0.25 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 2cx1 h LEU 25 Cb 0.15 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2cx1 h LEU 25 CO -0.03 0.06 0.20 -0.07 -0.34 0.00 0.00 178.44 178.26 2cx1 h LEU 26 N 0.20 0.76 -0.88 2.25 3.38 -1.04 -1.41 115.31 118.57 2cx1 h LEU 26 Ca 0.15 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2cx1 h LEU 26 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2cx1 h LEU 26 CO -0.18 0.71 -0.46 -0.33 0.09 0.00 0.00 178.44 178.26 2cx1 h GLU 27 N 0.81 0.23 0.00 1.13 4.39 -0.63 -1.89 114.58 118.62 2cx1 h GLU 27 Ca 0.19 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 2cx1 h GLU 27 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2cx1 h GLU 27 CO -0.01 0.64 -0.30 0.00 -1.16 0.00 0.00 179.01 178.18 2cx1 h ARG 28 N 0.19 0.00 0.12 2.33 3.08 -0.00 -3.30 114.38 116.79 2cx1 h ARG 28 Ca 0.01 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 2cx1 h ARG 28 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2cx1 h ARG 28 CO 0.07 0.30 -1.55 -0.07 -1.07 0.00 0.00 179.97 177.65 2cx1 h LEU 29 N 0.00 0.40 -0.95 3.04 3.38 -1.06 -3.40 115.31 116.71 2cx1 h LEU 29 Ca -0.00 -0.56 0.17 0.00 0.09 0.00 0.00 57.88 57.58 2cx1 h LEU 29 Cb 1.03 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 2cx1 h LEU 29 CO 0.04 1.47 0.55 0.11 0.09 0.00 0.00 178.44 180.69 2cx1 h LYS 30 N 0.07 0.69 0.00 1.13 1.57 -1.43 -1.37 116.57 117.23 2cx1 h LYS 30 Ca -0.25 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2cx1 h LYS 30 Cb 2.02 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 34.17 2cx1 h LYS 30 CO 0.16 0.46 -0.08 -1.35 -0.57 0.00 0.00 179.45 178.06 2cx1 h PRO 31 N 0.71 0.00 -0.01 3.15 0.11 -1.77 -3.31 132.00 130.88 2cx1 h PRO 31 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2cx1 h PRO 31 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2cx1 h PRO 31 CO -0.38 0.08 -0.29 0.66 -0.21 0.00 0.00 178.00 177.87 2cx1 n TYR 32 N -3.38 0.00 -4.19 0.65 4.01 -0.53 -5.03 117.16 108.70 2cx1 n TYR 32 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 2cx1 n TYR 32 Cb 0.25 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 2cx1 n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2cx1 s TYR 33 N -1.67 0.97 0.15 -0.72 2.02 -1.16 -4.53 117.35 112.42 2cx1 s TYR 33 Ca 0.11 -0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 55.71 2cx1 s TYR 33 Cb 0.11 -0.56 0.04 0.00 -0.40 0.00 0.00 41.96 41.14 2cx1 s TYR 33 CO 0.34 -0.19 1.68 1.15 -1.57 0.00 0.00 175.55 176.96 2cx1 h THR 34 N 2.88 1.23 -3.19 -0.71 2.02 -0.23 -3.46 112.91 111.44 2cx1 h THR 34 Ca -0.36 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2cx1 h THR 34 Cb 1.18 0.76 -0.09 0.00 -1.74 0.00 0.00 68.15 68.26 2cx1 h THR 34 CO 0.64 0.28 0.10 0.00 0.37 0.00 0.00 175.52 176.91 2cx1 s ARG 35 N -5.43 1.48 -0.10 6.66 1.70 -1.19 -5.06 118.95 117.01 2cx1 s ARG 35 Ca -0.13 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 2cx1 s ARG 35 Cb 0.12 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 35.03 2cx1 s ARG 35 CO 0.79 -0.65 1.09 0.42 -1.08 0.00 0.00 175.30 175.87 2cx1 s ILE 36 N -3.87 4.56 0.08 4.99 -1.09 -1.26 -4.85 121.20 119.75 2cx1 s ILE 36 Ca 0.09 1.85 0.26 0.00 -2.23 0.00 0.00 60.65 60.62 2cx1 s ILE 36 Cb -0.02 -4.19 0.27 0.00 -1.58 0.00 0.00 42.46 36.93 2cx1 s ILE 36 CO -0.01 -0.02 1.83 1.55 -1.23 0.00 0.00 174.94 177.06 2cx1 h PRO 37 N 7.31 0.00 -6.21 2.79 0.13 -1.98 -3.45 132.00 130.58 2cx1 h PRO 37 Ca -0.31 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.29 2cx1 h PRO 37 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2cx1 h PRO 37 CO 0.88 0.17 -0.58 -0.59 -0.23 0.00 0.00 178.00 177.65 2cx1 s PHE 38 N -3.60 2.95 0.75 1.56 -0.12 -1.26 -5.02 117.98 113.23 2cx1 s PHE 38 Ca 0.01 -0.15 -0.11 0.00 -0.05 0.00 0.00 56.93 56.64 2cx1 s PHE 38 Cb 0.10 -1.33 0.04 0.00 -0.63 0.00 0.00 43.02 41.19 2cx1 s PHE 38 CO 0.62 0.56 1.08 0.45 -0.05 0.00 0.00 175.22 177.88 2cx1 s SER 39 N -3.67 4.89 0.21 1.98 0.15 -1.26 -4.95 113.70 111.06 2cx1 s SER 39 Ca 0.32 1.56 0.24 0.00 0.70 0.00 0.00 55.95 58.77 2cx1 s SER 39 Cb -0.08 -2.36 0.92 0.00 -1.71 0.00 0.00 66.02 62.79 2cx1 s SER 39 CO 0.23 -1.75 1.72 -0.62 1.20 0.00 0.00 173.24 174.01 2cx1 n GLU 40 N -3.32 0.19 0.00 5.44 4.71 -1.26 -2.26 120.64 124.14 2cx1 n GLU 40 Ca 0.08 0.34 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 2cx1 n GLU 40 Cb 0.54 -1.81 0.15 0.00 -1.01 0.00 0.00 31.44 29.32 2cx1 n GLU 40 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2cx1 n LYS 41 N -2.16 0.33 -2.00 3.49 5.02 -1.26 -4.93 118.16 116.65 2cx1 n LYS 41 Ca 0.03 -0.23 -0.41 0.00 -2.02 0.00 0.00 58.31 55.68 2cx1 n LYS 41 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 2cx1 n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cx1 s ALA 42 N -2.83 3.53 -0.34 7.82 0.00 -0.96 -4.96 121.76 124.03 2cx1 s ALA 42 Ca 0.14 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 2cx1 s ALA 42 Cb 0.18 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.78 2cx1 s ALA 42 CO 0.69 -0.79 0.94 0.34 0.00 0.00 0.00 175.76 176.93 2cx1 s ASP 43 N -0.36 6.76 -0.19 0.00 2.15 -1.26 -4.87 116.67 118.90 2cx1 s ASP 43 Ca 0.50 0.76 -0.07 0.00 0.43 0.00 0.00 52.55 54.17 2cx1 s ASP 43 Cb -0.42 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 39.68 2cx1 s ASP 43 CO 0.57 -0.80 0.06 -0.76 -0.17 0.00 0.00 175.17 174.07 2cx1 s LEU 44 N 3.39 3.76 0.05 -1.34 1.02 -1.26 -0.12 118.68 124.19 2cx1 s LEU 44 Ca 0.39 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.61 2cx1 s LEU 44 Cb -0.13 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2cx1 s LEU 44 CO 0.16 0.15 -0.07 -0.13 0.02 0.00 0.00 176.35 176.48 2cx1 s ARG 45 N 0.48 0.58 -0.23 1.70 0.52 -0.73 -2.14 118.95 119.13 2cx1 s ARG 45 Ca 0.03 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.27 2cx1 s ARG 45 Cb -0.13 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 2cx1 s ARG 45 CO 0.01 0.03 0.10 -1.17 0.02 0.00 0.00 175.30 174.29 2cx1 s LEU 46 N -1.90 3.76 -0.18 2.53 2.96 -0.09 0.37 118.68 126.13 2cx1 s LEU 46 Ca -0.05 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2cx1 s LEU 46 Cb -0.07 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2cx1 s LEU 46 CO -0.01 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 2cx1 s VAL 47 N 1.16 2.68 -0.19 1.68 1.01 0.11 -1.83 120.40 125.02 2cx1 s VAL 47 Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2cx1 s VAL 47 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2cx1 s VAL 47 CO 0.04 0.50 0.04 -0.54 0.00 0.00 0.00 175.10 175.15 2cx1 s LYS 48 N 1.09 3.88 -0.15 2.72 1.02 0.40 -0.54 119.74 128.16 2cx1 s LYS 48 Ca -0.00 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2cx1 s LYS 48 Cb -0.14 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 2cx1 s LYS 48 CO -0.04 0.21 -0.18 0.00 -0.92 0.00 0.00 175.35 174.42 2cx1 s ALA 49 N 0.52 2.06 -0.23 5.17 0.00 -0.09 -0.91 121.76 128.27 2cx1 s ALA 49 Ca 0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2cx1 s ALA 49 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2cx1 s ALA 49 CO 0.01 -0.21 0.10 0.50 0.00 0.00 0.00 175.76 176.16 2cx1 s ARG 50 N 1.15 3.86 0.35 0.00 3.52 0.27 -1.28 118.95 126.82 2cx1 s ARG 50 Ca -0.01 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 2cx1 s ARG 50 Cb -0.14 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2cx1 s ARG 50 CO -0.07 -0.02 0.12 0.25 -0.81 0.00 0.00 175.30 174.77 2cx1 n THR 51 N 4.46 0.00 0.04 4.11 -2.24 0.54 -1.32 114.28 119.87 2cx1 n THR 51 Ca -0.16 -1.55 0.03 0.00 -2.27 0.00 0.00 64.05 60.11 2cx1 n THR 51 Cb 0.52 0.11 0.41 0.00 -2.10 0.00 0.00 70.33 69.27 2cx1 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2cx1 h ASP 52 N 0.66 0.40 0.64 3.42 3.32 -1.76 -3.10 116.42 119.99 2cx1 h ASP 52 Ca -0.26 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.52 2cx1 h ASP 52 Cb 0.85 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 2cx1 h ASP 52 CO 0.43 0.36 -1.51 0.77 -1.72 0.00 0.00 179.24 177.57 2cx1 h SER 53 N 0.45 0.00 0.00 6.45 4.64 -1.95 -3.50 113.55 119.63 2cx1 h SER 53 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2cx1 h SER 53 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2cx1 h SER 53 CO -0.01 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2cx1 n GLY 54 N 1.47 -0.60 3.38 -0.77 0.00 -1.17 -5.16 105.19 102.34 2cx1 n GLY 54 Ca -0.12 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2cx1 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cx1 s GLU 55 N -1.09 2.07 0.06 1.61 2.02 -1.26 -0.34 118.70 121.77 2cx1 s GLU 55 Ca 0.00 -0.96 0.09 0.00 0.02 0.00 0.00 54.97 54.12 2cx1 s GLU 55 Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2cx1 s GLU 55 CO 0.00 0.55 -0.24 0.71 0.02 0.00 0.00 175.26 176.31 2cx1 s TYR 56 N -0.75 2.06 -0.06 1.61 1.51 -0.40 -4.98 117.35 116.33 2cx1 s TYR 56 Ca 0.12 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2cx1 s TYR 56 Cb -0.10 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2cx1 s TYR 56 CO 0.01 0.15 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.30 2cx1 s GLU 57 N -1.42 1.47 -0.03 -0.62 2.02 -1.26 -0.91 118.70 117.94 2cx1 s GLU 57 Ca 0.10 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.79 2cx1 s GLU 57 Cb -0.10 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.86 2cx1 s GLU 57 CO 0.03 -0.02 -0.11 0.42 0.02 0.00 0.00 175.26 175.59 2cx1 s ILE 58 N 0.81 0.95 -0.19 -1.63 1.01 0.30 -4.59 121.20 117.87 2cx1 s ILE 58 Ca -0.12 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 2cx1 s ILE 58 Cb -0.15 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 2cx1 s ILE 58 CO 0.02 0.29 0.52 -0.63 0.00 0.00 0.00 174.94 175.14 2cx1 s ILE 59 N 0.25 5.11 0.10 2.92 1.01 0.27 -0.71 121.20 130.16 2cx1 s ILE 59 Ca -0.05 0.96 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 2cx1 s ILE 59 Cb -0.10 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2cx1 s ILE 59 CO 0.01 0.19 0.29 0.42 0.00 0.00 0.00 174.94 175.86 2cx1 s THR 60 N 1.52 5.28 -0.25 2.92 -4.23 0.16 -1.87 115.64 119.17 2cx1 s THR 60 Ca 0.25 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2cx1 s THR 60 Cb -0.15 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.12 2cx1 s THR 60 CO 0.10 0.08 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.52 2cx1 s VAL 61 N -1.60 1.62 -1.53 2.29 1.01 0.08 -1.78 120.40 120.50 2cx1 s VAL 61 Ca 0.38 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2cx1 s VAL 61 Cb -0.12 -1.90 0.09 0.00 0.00 0.00 0.00 36.38 34.44 2cx1 s VAL 61 CO 0.26 -0.15 0.89 0.47 0.00 0.00 0.00 175.10 176.57 2cx1 n ASP 62 N 4.62 -4.60 0.00 3.32 8.00 0.83 -1.42 116.55 127.31 2cx1 n ASP 62 Ca -0.11 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2cx1 n ASP 62 Cb 0.44 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 2cx1 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cx1 n GLY 63 N -1.59 2.16 3.69 0.44 0.00 -1.26 -5.03 105.19 103.61 2cx1 n GLY 63 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2cx1 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cx1 s VAL 64 N -2.48 4.97 -0.57 1.61 1.01 -0.50 -4.72 120.40 119.72 2cx1 s VAL 64 Ca 0.00 1.53 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 2cx1 s VAL 64 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2cx1 s VAL 64 CO 0.00 0.15 1.69 -2.16 0.00 0.00 0.00 175.10 174.78 2cx1 s PRO 65 N 1.40 2.95 -0.13 2.72 0.04 -1.26 -0.74 135.00 139.99 2cx1 s PRO 65 Ca 0.38 0.61 0.07 0.00 0.04 0.00 0.00 61.00 62.11 2cx1 s PRO 65 Cb -0.17 -4.27 -0.13 0.00 0.04 0.00 0.00 34.50 29.96 2cx1 s PRO 65 CO 0.16 -2.35 -0.01 0.00 0.04 0.00 0.00 177.00 174.83 2cx1 s LEU 67 N -5.18 2.23 0.05 0.00 1.43 -0.95 -0.62 118.68 115.64 2cx1 s LEU 67 Ca -0.10 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2cx1 s LEU 67 Cb 0.04 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.08 2cx1 s LEU 67 CO 0.44 -0.17 0.23 0.72 0.23 0.00 0.00 176.35 177.79 2cx1 s PHE 68 N -1.25 0.02 -0.17 0.29 -0.12 -0.33 -0.56 117.98 115.85 2cx1 s PHE 68 Ca -0.09 -0.25 -0.14 0.00 -0.05 0.00 0.00 56.93 56.40 2cx1 s PHE 68 Cb -0.09 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2cx1 s PHE 68 CO 0.00 -0.47 0.31 -2.00 -0.05 0.00 0.00 175.22 173.01 2cx1 s GLU 69 N -2.77 4.23 0.60 1.99 2.12 -1.26 -0.68 118.70 122.94 2cx1 s GLU 69 Ca -0.03 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.44 2cx1 s GLU 69 Cb -0.00 -3.46 0.08 0.00 0.26 0.00 0.00 34.13 31.01 2cx1 s GLU 69 CO -0.05 0.16 0.83 -0.46 -0.54 0.00 0.00 175.26 175.21 2cx1 s TRP 70 N 0.70 1.93 -0.68 5.30 -0.00 -0.39 -4.98 118.94 120.81 2cx1 s TRP 70 Ca 0.17 -0.39 0.14 0.00 -0.00 0.00 0.00 56.10 56.02 2cx1 s TRP 70 Cb -0.13 -2.61 0.67 0.00 -0.00 0.00 0.00 33.47 31.40 2cx1 s TRP 70 CO 0.05 -1.21 1.45 -1.13 -0.00 0.00 0.00 176.95 176.11 2cx1 n SER 71 N -2.42 0.30 -0.78 5.86 3.41 -1.26 -1.10 113.62 117.62 2cx1 n SER 71 Ca 0.13 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 2cx1 n SER 71 Cb 0.61 -0.66 0.24 0.00 -0.26 0.00 0.00 64.21 64.14 2cx1 n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2cx1 n ASP 72 N -1.86 2.28 0.00 4.04 5.68 -1.26 -4.91 116.55 120.52 2cx1 n ASP 72 Ca 0.01 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 2cx1 n ASP 72 Cb 0.10 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2cx1 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cx1 n GLY 73 N 1.21 0.62 3.95 6.12 0.00 -0.26 -5.02 105.19 111.80 2cx1 n GLY 73 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2cx1 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cx1 s ARG 74 N -0.23 3.40 -0.18 1.61 0.52 -1.26 -4.87 118.95 117.95 2cx1 s ARG 74 Ca 0.00 -0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 2cx1 s ARG 74 Cb 0.00 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2cx1 s ARG 74 CO 0.00 0.48 0.27 0.42 0.02 0.00 0.00 175.30 176.49 2cx1 s ILE 75 N -1.86 5.31 0.22 1.52 -1.09 -1.26 -1.26 121.20 122.77 2cx1 s ILE 75 Ca 0.34 0.49 0.11 0.00 -2.23 0.00 0.00 60.65 59.36 2cx1 s ILE 75 Cb -0.10 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2cx1 s ILE 75 CO 0.28 0.37 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.86 2cx1 s TYR 76 N 0.64 2.38 0.29 3.97 2.02 0.15 -4.93 117.35 121.86 2cx1 s TYR 76 Ca 0.15 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 2cx1 s TYR 76 Cb -0.13 -1.13 -0.07 0.00 -0.40 0.00 0.00 41.96 40.23 2cx1 s TYR 76 CO 0.04 0.56 0.62 -1.25 -1.57 0.00 0.00 175.55 173.95 2cx1 s PRO 77 N -2.97 3.80 0.68 -1.71 0.04 -1.26 -1.18 135.00 132.40 2cx1 s PRO 77 Ca 0.24 0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 2cx1 s PRO 77 Cb -0.07 -2.56 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2cx1 s PRO 77 CO 0.13 0.20 1.02 0.95 0.04 0.00 0.00 177.00 179.34 2cx1 s THR 78 N -2.00 2.92 0.36 1.26 -4.23 0.21 -4.91 115.64 109.24 2cx1 s THR 78 Ca 0.49 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.17 2cx1 s THR 78 Cb -0.11 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.65 2cx1 s THR 78 CO 0.24 -0.27 1.88 -0.07 -0.54 0.00 0.00 174.62 175.86 2cx1 h LEU 79 N -0.54 0.00 -1.35 4.79 3.38 -1.90 -1.82 115.31 117.87 2cx1 h LEU 79 Ca -0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2cx1 h LEU 79 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2cx1 h LEU 79 CO 0.62 0.29 -0.03 1.56 0.09 0.00 0.00 178.44 180.97 2cx1 h GLN 80 N 0.00 0.39 -0.71 1.13 7.50 -1.93 -1.54 115.11 119.96 2cx1 h GLN 80 Ca -0.00 -0.08 -0.04 0.00 0.50 0.00 0.00 58.65 59.03 2cx1 h GLN 80 Cb 0.59 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.03 2cx1 h GLN 80 CO 0.04 0.45 0.30 0.00 -1.50 0.00 0.00 178.83 178.11 2cx1 h LEU 82 N 1.00 0.00 -0.34 0.00 3.38 -1.11 0.16 115.31 118.40 2cx1 h LEU 82 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2cx1 h LEU 82 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2cx1 h LEU 82 CO -0.02 0.42 -0.16 0.50 0.09 0.00 0.00 178.44 179.27 2cx1 h LYS 83 N 0.00 0.71 -0.28 1.13 3.64 -0.92 0.25 116.57 121.10 2cx1 h LYS 83 Ca -0.00 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 58.90 2cx1 h LYS 83 Cb 0.81 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2cx1 h LYS 83 CO 0.05 0.91 -0.48 0.00 -2.27 0.00 0.00 179.45 177.66 2cx1 h ALA 84 N 0.78 0.44 -0.01 5.00 0.00 -1.01 -3.37 119.26 121.10 2cx1 h ALA 84 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2cx1 h ALA 84 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2cx1 h ALA 84 CO 0.05 0.61 -0.09 1.19 0.00 0.00 0.00 179.25 181.01 2cx1 n PHE 85 N -4.08 0.00 -3.61 0.00 3.72 0.01 -5.11 117.46 108.39 2cx1 n PHE 85 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2cx1 n PHE 85 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 2cx1 n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cx1 n GLY 86 N 0.61 -1.93 0.00 1.37 0.00 0.87 -4.69 105.19 101.42 2cx1 n GLY 86 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2cx1 n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cx1 n VAL 87 N 0.00 0.23 0.30 1.61 0.24 -1.26 -4.54 118.33 114.90 2cx1 n VAL 87 Ca 0.00 -0.56 0.17 0.00 -2.04 0.00 0.00 64.34 61.91 2cx1 n VAL 87 Cb 0.00 0.97 0.75 0.00 -1.47 0.00 0.00 33.84 34.08 2cx1 n VAL 87 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2cx1 h ASP 88 N 0.00 0.00 0.66 -1.34 3.45 -1.98 -2.07 116.42 115.14 2cx1 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2cx1 h ASP 88 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2cx1 h ASP 88 CO 0.00 0.00 -0.16 -2.67 -1.57 0.00 0.00 179.24 174.84 2cx1 n TRP 89 N -2.94 0.00 -2.58 4.55 4.27 -1.26 -4.79 117.44 114.69 2cx1 n TRP 89 Ca 0.00 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.30 2cx1 n TRP 89 Cb 0.25 -0.33 -0.04 0.00 -1.36 0.00 0.00 31.31 29.83 2cx1 n TRP 89 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2cx1 s LEU 90 N -2.82 3.71 0.37 5.67 1.43 -0.78 0.44 118.68 126.70 2cx1 s LEU 90 Ca 0.19 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 2cx1 s LEU 90 Cb 0.19 -4.34 0.72 0.00 0.03 0.00 0.00 46.19 42.80 2cx1 s LEU 90 CO 0.55 -0.51 1.93 0.11 0.23 0.00 0.00 176.35 178.67 2cx1 h LYS 91 N 1.09 0.44 -2.17 1.70 1.57 -1.80 -3.40 116.57 114.01 2cx1 h LYS 91 Ca -0.47 -0.08 0.22 0.00 -1.87 0.00 0.00 60.65 58.45 2cx1 h LYS 91 Cb 1.18 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.34 2cx1 h LYS 91 CO 0.62 0.45 0.61 0.20 -0.57 0.00 0.00 179.45 180.76 2cx1 s GLY 92 N -3.87 -0.18 0.07 3.86 0.00 -1.26 -1.94 107.32 104.00 2cx1 s GLY 92 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2cx1 s GLY 92 CO 0.75 0.88 -0.05 -1.34 0.00 0.00 0.00 173.10 173.34 2cx1 s VAL 93 N -2.75 0.44 -0.10 1.40 -7.23 -0.58 -3.35 120.40 108.23 2cx1 s VAL 93 Ca 0.16 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2cx1 s VAL 93 Cb -0.00 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.40 2cx1 s VAL 93 CO 0.02 -0.92 -0.24 -0.69 -0.31 0.00 0.00 175.10 172.96 2cx1 s VAL 94 N -3.67 2.03 -0.06 1.32 1.01 -0.14 -1.02 120.40 119.87 2cx1 s VAL 94 Ca 0.08 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 2cx1 s VAL 94 Cb 0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2cx1 s VAL 94 CO -0.07 0.55 0.33 -0.76 0.00 0.00 0.00 175.10 175.15 2cx1 s LEU 95 N 0.34 4.41 0.26 3.92 1.43 0.35 -1.31 118.68 128.07 2cx1 s LEU 95 Ca -0.18 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.76 2cx1 s LEU 95 Cb -0.18 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2cx1 s LEU 95 CO 0.09 0.29 -0.10 0.68 0.23 0.00 0.00 176.35 177.54 2cx1 s VAL 96 N -0.71 1.75 0.76 -1.59 -7.23 0.05 -0.47 120.40 112.96 2cx1 s VAL 96 Ca 0.21 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 2cx1 s VAL 96 Cb -0.15 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.53 2cx1 s VAL 96 CO 0.09 -0.40 1.13 1.51 -0.31 0.00 0.00 175.10 177.12 2cx1 s ASP 97 N -3.41 4.87 0.22 4.85 1.47 -0.30 -1.37 116.67 123.00 2cx1 s ASP 97 Ca 0.27 0.86 -0.08 0.00 1.18 0.00 0.00 52.55 54.78 2cx1 s ASP 97 Cb 0.02 -1.48 0.28 0.00 -0.34 0.00 0.00 42.92 41.40 2cx1 s ASP 97 CO 0.11 -1.67 1.80 0.50 0.68 0.00 0.00 175.17 176.59 2cx1 h LYS 98 N -0.85 0.65 -0.90 2.11 3.64 -1.99 0.76 116.57 119.99 2cx1 h LYS 98 Ca -0.45 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2cx1 h LYS 98 Cb 1.30 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 2cx1 h LYS 98 CO 0.65 0.43 0.58 0.78 -2.27 0.00 0.00 179.45 179.61 2cx1 h GLY 99 N 0.67 1.30 1.35 5.01 0.00 -1.96 -0.40 103.07 109.04 2cx1 h GLY 99 Ca 0.32 -0.44 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 2cx1 h GLY 99 CO -0.21 0.38 -0.79 0.00 0.00 0.00 0.00 176.54 175.91 2cx1 h ALA 100 N 1.37 0.40 -0.81 3.60 0.00 -1.70 -1.24 119.26 120.88 2cx1 h ALA 100 Ca 0.36 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2cx1 h ALA 100 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2cx1 h ALA 100 CO -0.12 0.72 0.53 0.00 0.00 0.00 0.00 179.25 180.38 2cx1 h ALA 101 N 0.69 1.03 -0.43 0.00 0.00 -0.18 0.10 119.26 120.48 2cx1 h ALA 101 Ca -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2cx1 h ALA 101 Cb 1.40 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2cx1 h ALA 101 CO 0.15 0.46 0.05 0.82 0.00 0.00 0.00 179.25 180.73 2cx1 h ILE 102 N 1.11 1.25 -0.79 0.00 2.04 -1.00 -1.16 117.51 118.96 2cx1 h ILE 102 Ca 0.30 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2cx1 h ILE 102 Cb -0.11 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2cx1 h ILE 102 CO -0.06 0.32 0.45 0.00 0.00 0.00 0.00 178.15 178.86 2cx1 h ALA 103 N 0.93 1.01 -0.48 1.87 0.00 -0.72 -2.17 119.26 119.70 2cx1 h ALA 103 Ca 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2cx1 h ALA 103 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2cx1 h ALA 103 CO 0.01 0.50 0.07 -0.07 0.00 0.00 0.00 179.25 179.76 2cx1 h LEU 104 N 1.09 0.70 -0.03 0.00 4.07 -0.65 -0.20 115.31 120.29 2cx1 h LEU 104 Ca 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2cx1 h LEU 104 Cb 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.56 2cx1 h LEU 104 CO -0.05 0.73 0.00 0.00 -1.08 0.00 0.00 178.44 178.04 2cx1 n ALA 105 N -2.47 1.83 1.06 1.53 0.00 -0.45 -1.37 120.51 120.65 2cx1 n ALA 105 Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2cx1 n ALA 105 Cb 0.25 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.50 2cx1 n ALA 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cx1 n LYS 106 N -1.54 0.74 0.00 0.00 5.02 -0.29 -4.70 118.16 117.39 2cx1 n LYS 106 Ca 0.04 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 2cx1 n LYS 106 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2cx1 n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cx1 n GLY 107 N 1.42 1.14 3.83 0.72 0.00 -0.47 -5.10 105.19 106.75 2cx1 n GLY 107 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2cx1 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cx1 s ALA 108 N -2.00 3.03 0.82 4.61 0.00 -0.24 -4.97 121.76 123.01 2cx1 s ALA 108 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 2cx1 s ALA 108 Cb 0.00 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 20.07 2cx1 s ALA 108 CO 0.00 -0.21 1.09 -1.01 0.00 0.00 0.00 175.76 175.63 2cx1 s HIS 109 N -2.51 2.49 0.70 0.00 3.76 -1.26 -4.40 115.29 114.06 2cx1 s HIS 109 Ca 0.60 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.93 2cx1 s HIS 109 Cb -0.10 -3.09 0.12 0.00 1.11 0.00 0.00 32.58 30.61 2cx1 s HIS 109 CO 0.28 -2.02 0.96 -1.17 -0.85 0.00 0.00 174.74 171.94 2cx1 s LEU 110 N -6.03 3.01 -0.20 0.89 2.96 -0.89 -4.86 118.68 113.55 2cx1 s LEU 110 Ca 0.62 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2cx1 s LEU 110 Cb -0.17 -2.01 -0.20 0.00 0.50 0.00 0.00 46.19 44.31 2cx1 s LEU 110 CO 0.56 -1.77 0.01 -0.38 -1.32 0.00 0.00 176.35 173.45 2cx1 n ILE 112 N -2.75 1.61 0.26 6.68 5.41 0.12 -0.10 119.36 130.58 2cx1 n ILE 112 Ca 0.15 -0.57 0.15 0.00 1.00 0.00 0.00 62.75 63.47 2cx1 n ILE 112 Cb 0.61 -1.59 0.74 0.00 -0.71 0.00 0.00 39.64 38.69 2cx1 n ILE 112 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2cx1 h PRO 113 N -0.06 0.00 -0.01 0.38 0.11 -1.82 -1.00 132.00 129.59 2cx1 h PRO 113 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2cx1 h PRO 113 Cb 1.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.02 2cx1 h PRO 113 CO -0.04 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.05 2cx1 n GLY 114 N -0.88 -0.68 3.77 -0.55 0.00 -1.26 -4.88 105.19 100.70 2cx1 n GLY 114 Ca -0.01 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2cx1 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cx1 s VAL 115 N -2.33 4.73 0.00 1.61 1.01 -0.38 -1.15 120.40 123.88 2cx1 s VAL 115 Ca 0.32 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2cx1 s VAL 115 Cb 0.20 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2cx1 s VAL 115 CO 0.44 0.44 0.53 1.33 0.00 0.00 0.00 175.10 177.84 2cx1 n VAL 116 N 2.39 0.25 -3.61 2.92 0.24 0.38 -4.88 118.33 116.03 2cx1 n VAL 116 Ca -0.06 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.34 61.73 2cx1 n VAL 116 Cb 0.50 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.91 2cx1 n VAL 116 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2cx1 s GLY 117 N -0.25 -0.12 -0.01 7.63 0.00 -1.11 -4.94 107.32 108.51 2cx1 s GLY 117 Ca 0.00 2.22 0.04 0.00 0.00 0.00 0.00 44.72 46.98 2cx1 s GLY 117 CO 0.00 0.88 -0.13 0.14 0.00 0.00 0.00 173.10 173.98 2cx1 s VAL 118 N -1.56 1.06 0.02 1.40 1.01 -1.26 -0.49 120.40 120.57 2cx1 s VAL 118 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2cx1 s VAL 118 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2cx1 s VAL 118 CO -0.05 0.30 -0.13 -1.61 0.00 0.00 0.00 175.10 173.62 2cx1 s GLU 119 N -0.30 0.91 0.64 2.72 2.02 -0.19 -4.98 118.70 119.52 2cx1 s GLU 119 Ca 0.05 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2cx1 s GLU 119 Cb -0.05 -0.89 0.00 0.00 0.10 0.00 0.00 34.13 33.29 2cx1 s GLU 119 CO -0.00 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2cx1 n GLY 120 N 2.28 -1.82 3.05 -1.39 0.00 -1.26 -1.52 105.19 104.53 2cx1 n GLY 120 Ca -0.16 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 2cx1 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cx1 s SER 121 N -4.00 0.07 0.22 1.61 0.15 -0.82 -4.96 113.70 105.97 2cx1 s SER 121 Ca 0.00 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.09 2cx1 s SER 121 Cb 0.00 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2cx1 s SER 121 CO 0.00 -0.21 0.54 0.72 1.20 0.00 0.00 173.24 175.49 2cx1 s PHE 122 N 1.99 -0.03 0.33 3.44 -0.12 -1.26 -4.54 117.98 117.78 2cx1 s PHE 122 Ca -0.03 -0.33 0.10 0.00 -0.05 0.00 0.00 56.93 56.62 2cx1 s PHE 122 Cb -0.11 0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 42.61 2cx1 s PHE 122 CO -0.09 -0.98 -0.11 0.95 -0.05 0.00 0.00 175.22 174.94 2cx1 s THR 123 N -3.91 2.24 0.09 -4.49 -4.23 -1.26 -0.48 115.64 103.60 2cx1 s THR 123 Ca 0.12 -2.24 -0.36 0.00 -1.18 0.00 0.00 61.69 58.03 2cx1 s THR 123 Cb -0.02 -2.56 -0.17 0.00 1.34 0.00 0.00 72.50 71.09 2cx1 s THR 123 CO 0.01 -0.25 1.19 -1.14 -0.54 0.00 0.00 174.62 173.89 2cx1 n ARG 124 N -0.74 0.82 0.00 3.99 0.63 -1.25 -1.50 116.66 118.61 2cx1 n ARG 124 Ca -0.05 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2cx1 n ARG 124 Cb 0.63 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.70 2cx1 n ARG 124 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cx1 n GLY 125 N 2.12 2.25 3.81 5.14 0.00 0.48 -4.97 105.19 114.03 2cx1 n GLY 125 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2cx1 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cx1 s ASP 126 N -1.44 5.81 -0.06 1.61 1.01 -0.56 -4.67 116.67 118.36 2cx1 s ASP 126 Ca 0.00 1.74 -0.29 0.00 0.71 0.00 0.00 52.55 54.71 2cx1 s ASP 126 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2cx1 s ASP 126 CO 0.00 -1.15 0.95 -0.69 0.21 0.00 0.00 175.17 174.49 2cx1 s VAL 127 N -2.60 4.86 0.18 -1.27 1.01 -1.26 -0.27 120.40 121.04 2cx1 s VAL 127 Ca 0.62 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 64.53 2cx1 s VAL 127 Cb -0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2cx1 s VAL 127 CO 0.40 0.10 0.12 0.68 0.00 0.00 0.00 175.10 176.40 2cx1 s VAL 128 N 1.48 0.04 0.10 2.92 -7.23 -0.30 -4.33 120.40 113.08 2cx1 s VAL 128 Ca 0.48 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.80 2cx1 s VAL 128 Cb -0.19 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2cx1 s VAL 128 CO 0.22 -0.16 -0.25 0.00 -0.31 0.00 0.00 175.10 174.59 2cx1 s ALA 129 N -4.11 2.19 -0.18 1.32 0.00 -1.21 -0.93 121.76 118.83 2cx1 s ALA 129 Ca 0.33 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2cx1 s ALA 129 Cb 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2cx1 s ALA 129 CO 0.08 0.49 0.02 0.00 0.00 0.00 0.00 175.76 176.35 2cx1 s ALA 130 N -1.02 3.17 -0.03 0.00 0.00 -1.26 -0.97 121.76 121.65 2cx1 s ALA 130 Ca 0.12 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2cx1 s ALA 130 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2cx1 s ALA 130 CO 0.05 0.09 -0.25 -0.51 0.00 0.00 0.00 175.76 175.14 2cx1 s LEU 131 N 0.57 2.05 0.09 0.00 1.02 -0.43 -0.21 118.68 121.77 2cx1 s LEU 131 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 54.13 53.38 2cx1 s LEU 131 Cb -0.14 -1.29 -0.08 0.00 0.02 0.00 0.00 46.19 44.70 2cx1 s LEU 131 CO 0.02 0.29 1.52 -0.47 0.02 0.00 0.00 176.35 177.72 2cx1 s TYR 132 N -0.47 2.87 0.30 0.29 5.04 -0.17 -0.77 117.35 124.44 2cx1 s TYR 132 Ca 0.06 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2cx1 s TYR 132 Cb -0.11 -3.83 0.47 0.00 0.35 0.00 0.00 41.96 38.85 2cx1 s TYR 132 CO 0.00 -3.11 1.87 1.12 -1.34 0.00 0.00 175.55 174.09 2cx1 h HIS 133 N 7.47 0.81 -0.45 4.97 2.07 -1.55 0.29 115.15 128.75 2cx1 h HIS 133 Ca -0.42 -0.06 -0.04 0.00 -2.85 0.00 0.00 60.37 57.01 2cx1 h HIS 133 Cb 1.20 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.92 2cx1 h HIS 133 CO 0.71 0.65 0.14 1.49 -3.07 0.00 0.00 177.93 177.86 2cx1 h GLU 134 N 0.78 0.70 -0.01 5.12 4.57 -1.90 -3.26 114.58 120.59 2cx1 h GLU 134 Ca 0.18 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2cx1 h GLU 134 Cb 0.22 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2cx1 h GLU 134 CO -0.01 0.67 -0.37 0.25 -1.18 0.00 0.00 179.01 178.38 2cx1 n THR 135 N -4.55 0.00 -2.39 0.32 -2.24 -1.23 -4.99 114.28 99.20 2cx1 n THR 135 Ca 0.01 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 2cx1 n THR 135 Cb 0.18 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 2cx1 n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2cx1 n ARG 136 N -0.64 -1.65 -2.63 -0.78 1.74 0.10 -4.96 116.66 107.84 2cx1 n ARG 136 Ca 0.04 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.67 2cx1 n ARG 136 Cb 0.22 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.04 2cx1 n ARG 136 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cx1 s THR 137 N -3.01 4.65 0.13 0.55 2.01 -1.20 -4.75 115.64 114.02 2cx1 s THR 137 Ca 0.00 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 63.63 2cx1 s THR 137 Cb -0.00 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 2cx1 s THR 137 CO 0.00 -0.01 1.32 -2.84 -0.69 0.00 0.00 174.62 172.40 2cx1 s PRO 138 N 2.17 4.37 0.00 4.92 0.02 -1.26 -1.00 135.00 144.22 2cx1 s PRO 138 Ca 0.50 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.55 2cx1 s PRO 138 Cb -0.19 -3.26 0.09 0.00 0.02 0.00 0.00 34.50 31.16 2cx1 s PRO 138 CO 0.18 -0.33 0.92 1.33 -0.33 0.00 0.00 177.00 178.76 2cx1 n VAL 139 N 3.55 0.60 -3.67 3.83 0.24 0.71 -4.88 118.33 118.70 2cx1 n VAL 139 Ca 0.09 -0.80 -0.11 0.00 -2.04 0.00 0.00 64.34 61.49 2cx1 n VAL 139 Cb 0.43 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 2cx1 n VAL 139 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2cx1 s VAL 141 N -0.75 -0.01 0.00 3.34 1.01 0.75 -1.16 120.40 123.59 2cx1 s VAL 141 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2cx1 s VAL 141 Cb 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2cx1 s VAL 141 CO 0.06 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2cx1 n GLY 142 N 3.65 2.37 3.35 4.51 0.00 -0.11 -1.15 105.19 117.80 2cx1 n GLY 142 Ca -0.18 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2cx1 n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cx1 s VAL 143 N -2.40 2.95 0.18 1.61 1.01 0.02 -1.15 120.40 122.61 2cx1 s VAL 143 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 2cx1 s VAL 143 Cb 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 2cx1 s VAL 143 CO 0.00 0.52 1.61 0.00 0.00 0.00 0.00 175.10 177.24 2cx1 s ALA 144 N 0.41 3.82 -0.51 5.51 0.00 0.63 -0.51 121.76 131.11 2cx1 s ALA 144 Ca -0.11 1.43 0.24 0.00 0.00 0.00 0.00 51.96 53.52 2cx1 s ALA 144 Cb -0.16 -3.64 0.23 0.00 0.00 0.00 0.00 23.12 19.55 2cx1 s ALA 144 CO 0.05 -0.82 1.24 0.93 0.00 0.00 0.00 175.76 177.17 2cx1 h GLU 145 N 6.81 0.00 -4.18 0.00 4.39 -1.40 0.14 114.58 120.35 2cx1 h GLU 145 Ca -0.43 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 2cx1 h GLU 145 Cb 1.20 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 2cx1 h GLU 145 CO 0.93 0.00 -0.64 0.14 -1.16 0.00 0.00 179.01 178.28 2cx1 s VAL 146 N -3.23 0.21 0.72 3.13 -7.23 -1.26 -4.82 120.40 107.93 2cx1 s VAL 146 Ca 0.04 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 2cx1 s VAL 146 Cb 0.12 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.62 2cx1 s VAL 146 CO 0.74 -0.95 1.12 -1.81 -0.31 0.00 0.00 175.10 173.89 2cx1 s ASP 147 N -2.89 4.63 0.27 4.85 -0.00 -1.26 -3.88 116.67 118.39 2cx1 s ASP 147 Ca 0.06 2.00 -0.03 0.00 -0.00 0.00 0.00 52.55 54.58 2cx1 s ASP 147 Cb 0.07 -2.55 0.36 0.00 -0.00 0.00 0.00 42.92 40.81 2cx1 s ASP 147 CO -0.10 -1.95 1.89 0.77 -0.00 0.00 0.00 175.17 175.78 2cx1 h SER 148 N -0.53 0.95 -0.34 0.27 4.64 -1.11 -0.54 113.55 116.88 2cx1 h SER 148 Ca -0.46 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 60.69 2cx1 h SER 148 Cb 1.25 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 2cx1 h SER 148 CO 0.52 0.78 -0.09 0.77 -0.87 0.00 0.00 176.83 177.94 2cx1 h SER 149 N 1.06 0.75 -0.39 4.97 4.64 -1.92 -0.89 113.55 121.77 2cx1 h SER 149 Ca 0.27 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 2cx1 h SER 149 Cb 0.05 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2cx1 h SER 149 CO -0.04 0.87 -0.29 0.00 -0.87 0.00 0.00 176.83 176.50 2cx1 h ALA 150 N 1.21 0.57 -0.75 5.18 0.00 -1.75 -3.11 119.26 120.61 2cx1 h ALA 150 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2cx1 h ALA 150 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2cx1 h ALA 150 CO 0.03 0.60 0.39 1.25 0.00 0.00 0.00 179.25 181.52 2cx1 h LEU 151 N 0.70 0.95 -1.06 0.00 5.85 -0.68 0.53 115.31 121.60 2cx1 h LEU 151 Ca 0.08 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.85 2cx1 h LEU 151 Cb 0.87 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 2cx1 h LEU 151 CO 0.08 0.79 0.62 -0.33 -0.34 0.00 0.00 178.44 179.25 2cx1 h GLU 152 N 1.03 0.81 0.05 1.25 4.39 -1.13 0.10 114.58 121.09 2cx1 h GLU 152 Ca 0.26 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 2cx1 h GLU 152 Cb 0.06 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2cx1 h GLU 152 CO -0.04 0.53 -0.47 0.87 -1.16 0.00 0.00 179.01 178.74 2cx1 h LYS 153 N 0.83 0.23 -0.98 2.33 1.57 -1.25 -3.29 116.57 116.00 2cx1 h LYS 153 Ca 0.53 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2cx1 h LYS 153 Cb 0.75 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 2cx1 h LYS 153 CO -0.31 1.08 0.65 -0.07 -0.57 0.00 0.00 179.45 180.23 2cx1 h LEU 154 N -0.47 1.11 -0.65 2.94 3.38 -0.38 -1.93 115.31 119.31 2cx1 h LEU 154 Ca -0.07 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2cx1 h LEU 154 Cb 1.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2cx1 h LEU 154 CO 0.09 0.79 -0.42 0.10 0.09 0.00 0.00 178.44 179.09 2cx1 h TYR 155 N 1.30 0.00 0.00 1.13 -0.00 -0.97 -1.66 116.97 116.78 2cx1 h TYR 155 Ca 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 59.02 2cx1 h TYR 155 Cb -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.62 2cx1 h TYR 155 CO -0.00 0.42 -0.38 0.00 -0.00 0.00 0.00 178.16 178.20 2cx1 h ARG 156 N 0.00 0.00 -0.00 0.10 3.08 -1.44 -1.95 114.38 114.17 2cx1 h ARG 156 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cx1 h ARG 156 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2cx1 h ARG 156 CO 0.05 0.38 -0.38 0.39 -1.07 0.00 0.00 179.97 179.34 2cx1 n GLU 157 N -3.75 0.17 -3.80 0.04 1.02 -0.89 -4.96 120.64 108.47 2cx1 n GLU 157 Ca -0.01 -0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.78 2cx1 n GLU 157 Cb 0.46 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2cx1 n GLU 157 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2cx1 n LYS 158 N -1.34 -5.41 -1.95 3.49 4.76 -0.69 -4.95 118.16 112.07 2cx1 n LYS 158 Ca 0.07 0.62 -0.37 0.00 -2.87 0.00 0.00 58.31 55.77 2cx1 n LYS 158 Cb 0.33 -5.37 0.03 0.00 -1.84 0.00 0.00 35.03 28.18 2cx1 n LYS 158 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cx1 s ALA 159 N -3.47 2.64 0.36 7.82 0.00 -0.80 -4.73 121.76 123.59 2cx1 s ALA 159 Ca 0.36 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 2cx1 s ALA 159 Cb -0.18 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 2cx1 s ALA 159 CO 0.82 -1.21 0.78 1.03 0.00 0.00 0.00 175.76 177.18 2cx1 s ARG 160 N -3.16 3.98 0.00 0.00 3.00 -1.26 -3.50 118.95 118.01 2cx1 s ARG 160 Ca 0.75 0.69 0.00 0.00 0.00 0.00 0.00 55.73 57.17 2cx1 s ARG 160 Cb -0.34 -2.38 0.00 0.00 0.00 0.00 0.00 34.95 32.24 2cx1 s ARG 160 CO 0.38 0.07 0.00 0.41 0.00 0.00 0.00 175.30 176.16 2cx1 n GLY 161 N -0.66 2.64 3.73 -3.53 0.00 -1.26 -4.91 105.19 101.20 2cx1 n GLY 161 Ca 0.04 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 2cx1 n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cx1 s ARG 162 N -1.82 4.44 -0.22 1.61 3.52 -1.26 0.12 118.95 125.33 2cx1 s ARG 162 Ca 0.00 0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 56.47 2cx1 s ARG 162 Cb 0.00 -3.40 -0.19 0.00 -1.56 0.00 0.00 34.95 29.79 2cx1 s ARG 162 CO 0.00 0.18 -0.03 0.00 -0.81 0.00 0.00 175.30 174.64 2cx1 n ALA 163 N 3.31 1.18 -3.76 6.12 0.00 0.85 -4.73 120.51 123.49 2cx1 n ALA 163 Ca -0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 2cx1 n ALA 163 Cb 0.51 -0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 2cx1 n ALA 163 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2cx1 s VAL 164 N -2.52 -0.06 -0.18 0.00 1.01 -0.95 -1.09 120.40 116.60 2cx1 s VAL 164 Ca -0.31 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 2cx1 s VAL 164 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 2cx1 s VAL 164 CO 0.64 0.09 0.80 -0.60 0.00 0.00 0.00 175.10 176.03 2cx1 s ARG 165 N 1.20 4.27 0.19 2.72 3.52 0.33 -2.10 118.95 129.08 2cx1 s ARG 165 Ca -0.08 0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 2cx1 s ARG 165 Cb -0.13 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.59 2cx1 s ARG 165 CO -0.04 -0.34 1.41 0.50 -0.81 0.00 0.00 175.30 176.02 2cx1 s ARG 166 N 2.21 4.31 -0.08 5.12 3.00 -1.26 -0.80 118.95 131.45 2cx1 s ARG 166 Ca 0.36 2.18 -0.02 0.00 -1.00 0.00 0.00 55.73 57.25 2cx1 s ARG 166 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 34.95 31.58 2cx1 s ARG 166 CO 0.11 -0.40 -0.09 0.28 0.00 0.00 0.00 175.30 175.21 2cx1 n VAL 167 N 3.01 0.42 -3.88 7.11 0.31 -0.30 -4.91 118.33 120.09 2cx1 n VAL 167 Ca 0.09 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 2cx1 n VAL 167 Cb 0.41 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 31.89 2cx1 n VAL 167 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2cx1 s HIS 168 N -2.14 0.03 0.15 3.52 2.46 -0.56 -5.02 115.29 113.73 2cx1 s HIS 168 Ca -0.11 -0.05 -0.13 0.00 0.47 0.00 0.00 55.06 55.25 2cx1 s HIS 168 Cb 0.04 -0.03 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 2cx1 s HIS 168 CO 0.15 -0.06 0.35 -0.98 -2.47 0.00 0.00 174.74 171.73 2cx1 s ARG 169 N -0.33 1.14 0.01 2.88 1.04 -1.26 -0.18 118.95 122.26 2cx1 s ARG 169 Ca -0.04 -0.95 -0.33 0.00 -1.04 0.00 0.00 55.73 53.37 2cx1 s ARG 169 Cb -0.02 0.43 -0.12 0.00 -2.04 0.00 0.00 34.95 33.20 2cx1 s ARG 169 CO -0.00 -0.44 1.81 -0.11 -0.04 0.00 0.00 175.30 176.52 2cx1 n LEU 170 N -0.22 3.51 0.00 -1.89 0.00 -0.31 -1.52 117.00 116.57 2cx1 n LEU 170 Ca -0.11 1.00 0.00 0.00 0.00 0.00 0.00 56.01 56.89 2cx1 n LEU 170 Cb 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2cx1 n LEU 170 CO 0.20 -0.06 0.00 0.61 0.00 0.00 0.00 177.39 178.15 2cx1 n GLY 171 N 4.15 0.75 3.78 -3.96 0.00 -1.26 -4.65 105.19 103.99 2cx1 n GLY 171 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2cx1 n GLY 171 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cx1 s ASP 172 N -3.00 2.72 0.17 1.61 1.47 -0.58 -4.77 116.67 114.29 2cx1 s ASP 172 Ca 0.00 0.67 -0.15 0.00 1.18 0.00 0.00 52.55 54.25 2cx1 s ASP 172 Cb 0.00 -1.00 0.04 0.00 -0.34 0.00 0.00 42.92 41.62 2cx1 s ASP 172 CO 0.00 -3.01 1.83 0.00 0.68 0.00 0.00 175.17 174.67 2cx1 h ALA 173 N -1.82 0.61 -0.76 2.11 0.00 -1.95 -1.47 119.26 115.97 2cx1 h ALA 173 Ca -0.47 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2cx1 h ALA 173 Cb 1.29 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2cx1 h ALA 173 CO 0.48 0.05 0.48 1.25 0.00 0.00 0.00 179.25 181.51 2cx1 h LEU 174 N 0.65 0.77 -0.60 0.00 5.85 -1.93 -1.76 115.31 118.29 2cx1 h LEU 174 Ca 0.18 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2cx1 h LEU 174 Cb -0.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2cx1 h LEU 174 CO -0.04 0.53 0.39 -0.25 -0.34 0.00 0.00 178.44 178.73 2cx1 h TRP 175 N 0.92 0.74 -0.65 1.25 7.01 -1.69 0.20 115.95 123.73 2cx1 h TRP 175 Ca 0.31 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.24 2cx1 h TRP 175 Cb 0.05 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 2cx1 h TRP 175 CO -0.04 0.45 0.07 0.93 -2.79 0.00 0.00 178.44 177.07 2cx1 h GLU 176 N 0.79 1.09 -0.16 2.65 4.39 -1.02 0.60 114.58 122.93 2cx1 h GLU 176 Ca 0.23 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2cx1 h GLU 176 Cb -0.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2cx1 h GLU 176 CO -0.06 1.02 -0.00 1.25 -1.16 0.00 0.00 179.01 180.06 2cx1 h LEU 177 N 1.01 0.28 -1.21 1.33 5.85 -1.02 -2.69 115.31 118.87 2cx1 h LEU 177 Ca 0.19 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2cx1 h LEU 177 Cb 0.48 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2cx1 h LEU 177 CO 0.02 0.52 0.54 0.00 -0.34 0.00 0.00 178.44 179.19 2cx1 h ALA 178 N 0.77 1.47 -0.98 1.25 0.00 -0.38 -1.30 119.26 120.08 2cx1 h ALA 178 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2cx1 h ALA 178 Cb 0.38 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2cx1 h ALA 178 CO 0.01 0.46 0.64 1.96 0.00 0.00 0.00 179.25 182.32 2cx1 h GLN 179 N 1.05 1.21 0.02 0.00 1.08 -0.68 -0.76 115.11 117.04 2cx1 h GLN 179 Ca 0.32 -0.07 -0.22 0.00 -1.45 0.00 0.00 58.65 57.23 2cx1 h GLN 179 Cb -0.02 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.13 2cx1 h GLN 179 CO -0.09 0.80 -0.95 1.49 -0.95 0.00 0.00 178.83 179.13 2cx1 h GLU 180 N 1.25 0.24 -0.45 1.46 4.57 -1.09 -2.64 114.58 117.93 2cx1 h GLU 180 Ca 0.39 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2cx1 h GLU 180 Cb -0.01 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2cx1 h GLU 180 CO -0.12 1.03 0.07 0.28 -1.18 0.00 0.00 179.01 179.08 2cx1 h VAL 181 N 0.12 1.21 0.00 0.32 2.07 -0.75 -2.24 116.25 116.99 2cx1 h VAL 181 Ca -0.06 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2cx1 h VAL 181 Cb 1.61 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2cx1 h VAL 181 CO 0.15 0.29 -0.12 1.23 0.02 0.00 0.00 177.57 179.14 2cx1 h GLY 182 N 0.90 0.00 1.00 2.17 0.00 -1.01 -3.47 103.07 102.66 2cx1 h GLY 182 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2cx1 h GLY 182 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71