#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u11 h ALA 19 N 0.00 1.00 -0.01 0.00 0.00 -2.06 -2.90 119.26 115.29 1u11 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u11 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u11 h ALA 19 CO 0.00 0.00 -0.55 -1.13 0.00 0.00 0.00 179.25 177.57 1u11 n SER 20 N -2.66 1.44 -4.74 0.00 3.41 -1.26 -4.86 113.62 104.95 1u11 n SER 20 Ca 0.03 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 1u11 n SER 20 Cb 0.37 0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 1u11 n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u11 s ALA 21 N -2.32 3.84 0.22 7.33 0.00 -1.10 -4.76 121.76 124.98 1u11 s ALA 21 Ca 0.12 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.37 1u11 s ALA 21 Cb 0.14 -3.67 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1u11 s ALA 21 CO 0.56 -0.97 1.35 -1.25 0.00 0.00 0.00 175.76 175.45 1u11 s PRO 22 N 0.28 4.35 -0.00 0.00 0.04 -1.26 -4.73 135.00 133.68 1u11 s PRO 22 Ca 0.69 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.95 1u11 s PRO 22 Cb -0.49 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 30.79 1u11 s PRO 22 CO 0.41 -0.29 0.34 1.33 0.04 0.00 0.00 177.00 178.82 1u11 n VAL 23 N 2.41 0.00 -4.44 -0.36 0.24 -0.44 -4.08 118.33 111.66 1u11 n VAL 23 Ca 0.06 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.34 61.88 1u11 n VAL 23 Cb 0.42 0.87 -0.15 0.00 -1.47 0.00 0.00 33.84 33.51 1u11 n VAL 23 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u11 s VAL 24 N -1.97 0.82 -0.15 3.34 1.01 -1.20 0.13 120.40 122.38 1u11 s VAL 24 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1u11 s VAL 24 Cb 0.06 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1u11 s VAL 24 CO 0.36 0.23 -0.16 -0.83 0.00 0.00 0.00 175.10 174.71 1u11 s GLY 25 N -0.19 1.46 -0.29 4.51 0.00 -0.45 -2.05 107.32 110.31 1u11 s GLY 25 Ca 0.03 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 1u11 s GLY 25 CO -0.00 0.03 0.11 -0.42 0.00 0.00 0.00 173.10 172.82 1u11 s ILE 26 N 0.82 4.34 0.07 0.90 1.01 0.24 -0.33 121.20 128.25 1u11 s ILE 26 Ca -0.05 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1u11 s ILE 26 Cb -0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1u11 s ILE 26 CO -0.00 0.12 -0.24 0.27 0.00 0.00 0.00 174.94 175.09 1u11 s ILE 27 N 1.58 1.94 0.02 2.92 -4.36 0.08 -0.74 121.20 122.63 1u11 s ILE 27 Ca 0.04 -1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1u11 s ILE 27 Cb -0.17 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 1u11 s ILE 27 CO 0.04 0.18 0.04 0.00 0.24 0.00 0.00 174.94 175.45 1u11 s MET 28 N -1.50 0.41 0.38 0.37 0.23 -0.70 -1.28 119.30 117.21 1u11 s MET 28 Ca 0.10 -0.59 0.08 0.00 -1.03 0.00 0.00 55.69 54.25 1u11 s MET 28 Cb -0.10 0.16 0.75 0.00 -1.53 0.00 0.00 34.83 34.11 1u11 s MET 28 CO 0.03 -0.08 1.93 0.78 -2.03 0.00 0.00 175.02 175.65 1u11 h GLY 29 N 4.35 0.40 -1.38 3.16 0.00 -1.52 0.18 103.07 108.26 1u11 h GLY 29 Ca -0.32 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.81 1u11 h GLY 29 CO 0.43 0.21 0.30 -1.35 0.00 0.00 0.00 176.54 176.13 1u11 s SER 30 N -6.81 -0.06 0.40 0.19 1.04 -1.26 -4.15 113.70 103.05 1u11 s SER 30 Ca -0.07 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.49 1u11 s SER 30 Cb 0.16 0.78 0.82 0.00 0.10 0.00 0.00 66.02 67.88 1u11 s SER 30 CO 0.74 -1.53 1.95 -0.61 0.98 0.00 0.00 173.24 174.77 1u11 h GLN 31 N 2.00 0.27 0.00 4.02 5.75 -2.01 -1.85 115.11 123.30 1u11 h GLN 31 Ca -0.29 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1u11 h GLN 31 Cb 1.25 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1u11 h GLN 31 CO 0.36 0.36 -0.03 0.77 -2.65 0.00 0.00 178.83 177.64 1u11 h SER 32 N 0.26 0.00 0.92 -0.69 0.02 -2.00 -0.87 113.55 111.19 1u11 h SER 32 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1u11 h SER 32 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1u11 h SER 32 CO 0.01 0.03 -0.31 0.47 -1.14 0.00 0.00 176.83 175.90 1u11 n ASP 33 N -3.58 0.48 -0.26 3.07 8.00 -0.70 -4.09 116.55 119.47 1u11 n ASP 33 Ca -0.03 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 1u11 n ASP 33 Cb 0.12 -0.17 0.17 0.00 -0.02 0.00 0.00 41.12 41.22 1u11 n ASP 33 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1u11 h TRP 34 N 0.00 1.07 -0.63 1.24 -0.00 -1.20 -0.52 115.95 115.90 1u11 h TRP 34 Ca 0.00 -0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.04 1u11 h TRP 34 Cb 0.61 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 29.39 1u11 h TRP 34 CO 0.00 0.72 0.44 1.49 -0.00 0.00 0.00 178.44 181.09 1u11 h GLU 35 N 1.11 0.13 0.00 2.65 4.57 -1.74 0.33 114.58 121.62 1u11 h GLU 35 Ca 0.29 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.24 1u11 h GLU 35 Cb -0.02 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1u11 h GLU 35 CO -0.05 0.08 -1.19 1.15 -1.18 0.00 0.00 179.01 177.82 1u11 h THR 36 N 0.13 0.96 0.00 0.32 2.02 -1.64 -3.39 112.91 111.31 1u11 h THR 36 Ca 0.30 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1u11 h THR 36 Cb 1.03 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1u11 h THR 36 CO -0.04 0.33 0.00 0.24 0.37 0.00 0.00 175.52 176.42 1u11 h MET 37 N -0.99 0.00 0.00 6.66 2.86 -0.79 -2.85 114.93 119.82 1u11 h MET 37 Ca -0.33 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1u11 h MET 37 Cb 1.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 1u11 h MET 37 CO -0.20 0.00 -0.02 0.07 1.06 0.00 0.00 176.91 177.83 1u11 h ARG 38 N 0.00 0.00 -0.00 1.72 0.11 -1.14 -0.51 114.38 114.56 1u11 h ARG 38 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1u11 h ARG 38 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1u11 h ARG 38 CO 0.00 0.02 -0.44 0.45 0.10 0.00 0.00 179.97 180.10 1u11 h HIS 39 N 0.00 0.01 -0.04 4.08 3.86 -1.77 -0.37 115.15 120.92 1u11 h HIS 39 Ca -0.00 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 1u11 h HIS 39 Cb 0.06 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.53 1u11 h HIS 39 CO 0.00 0.45 -0.61 0.00 0.86 0.00 0.00 177.93 178.62 1u11 h ALA 40 N 1.55 0.13 -0.14 2.45 0.00 -1.20 -2.85 119.26 119.21 1u11 h ALA 40 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1u11 h ALA 40 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u11 h ALA 40 CO 0.06 0.40 -0.01 0.22 0.00 0.00 0.00 179.25 179.92 1u11 h ASP 41 N 0.04 -0.07 -0.76 0.00 3.58 -1.20 -1.94 116.42 116.07 1u11 h ASP 41 Ca -0.07 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.43 1u11 h ASP 41 Cb 1.29 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.36 1u11 h ASP 41 CO 0.12 -0.02 0.49 0.00 -2.88 0.00 0.00 179.24 176.96 1u11 h ALA 42 N 1.12 0.97 -0.44 -0.78 0.00 -1.14 -2.09 119.26 116.90 1u11 h ALA 42 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u11 h ALA 42 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u11 h ALA 42 CO -0.12 0.34 0.07 1.25 0.00 0.00 0.00 179.25 180.79 1u11 h LEU 43 N 0.99 0.71 -0.92 0.00 7.12 -1.26 -0.86 115.31 121.09 1u11 h LEU 43 Ca 0.29 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 1u11 h LEU 43 Cb -0.07 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 39.83 1u11 h LEU 43 CO -0.08 0.80 0.35 -0.07 -0.13 0.00 0.00 178.44 179.31 1u11 h LEU 44 N 0.60 1.03 -0.57 2.25 3.38 -1.15 -1.77 115.31 119.08 1u11 h LEU 44 Ca 0.13 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1u11 h LEU 44 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1u11 h LEU 44 CO 0.01 0.89 -0.03 0.74 0.09 0.00 0.00 178.44 180.13 1u11 h THR 45 N 1.11 1.27 -0.61 0.22 2.02 -1.15 0.11 112.91 115.87 1u11 h THR 45 Ca 0.26 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1u11 h THR 45 Cb 0.15 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1u11 h THR 45 CO -0.03 0.42 0.34 -0.08 0.37 0.00 0.00 175.52 176.54 1u11 h GLU 46 N 0.91 0.83 -0.31 6.66 4.81 -0.68 -1.27 114.58 125.53 1u11 h GLU 46 Ca 0.16 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1u11 h GLU 46 Cb 0.59 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1u11 h GLU 46 CO 0.04 0.61 0.00 1.28 -0.73 0.00 0.00 179.01 180.20 1u11 n LEU 47 N -4.39 1.86 -3.54 1.64 4.77 -0.71 -4.93 117.00 111.69 1u11 n LEU 47 Ca 0.06 -0.89 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 1u11 n LEU 47 Cb 0.09 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1u11 n LEU 47 CO 0.37 0.45 0.12 -0.62 -1.33 0.00 0.00 177.39 176.37 1u11 n GLU 48 N 0.49 -6.64 -3.71 3.23 1.02 -0.48 -4.98 120.64 109.57 1u11 n GLU 48 Ca 0.13 0.79 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 1u11 n GLU 48 Cb 0.31 -5.74 -0.12 0.00 -0.02 0.00 0.00 31.44 25.87 1u11 n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1u11 s ILE 49 N -3.39 4.00 0.23 -3.67 1.01 0.32 -5.02 121.20 114.66 1u11 s ILE 49 Ca 0.19 -1.08 -0.32 0.00 0.00 0.00 0.00 60.65 59.44 1u11 s ILE 49 Cb -0.09 -3.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.99 1u11 s ILE 49 CO 0.75 -0.21 1.60 -2.65 0.00 0.00 0.00 174.94 174.43 1u11 n PRO 50 N 4.86 2.49 -3.84 2.79 -0.02 -1.26 -4.49 135.00 135.53 1u11 n PRO 50 Ca -0.12 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1u11 n PRO 50 Cb 0.45 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1u11 n PRO 50 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1u11 s HIS 51 N 0.58 -0.02 0.10 6.00 -3.43 -1.26 -1.33 115.29 115.94 1u11 s HIS 51 Ca 0.72 -0.36 0.10 0.00 -0.80 0.00 0.00 55.06 54.72 1u11 s HIS 51 Cb -0.57 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1u11 s HIS 51 CO 0.41 -1.04 -0.27 -1.83 -2.00 0.00 0.00 174.74 170.01 1u11 s GLU 52 N -3.93 1.50 -0.15 -0.38 -1.05 -0.87 -4.84 118.70 108.99 1u11 s GLU 52 Ca 0.13 -1.27 -0.00 0.00 -0.15 0.00 0.00 54.97 53.68 1u11 s GLU 52 Cb -0.03 -1.89 0.03 0.00 -0.44 0.00 0.00 34.13 31.80 1u11 s GLU 52 CO 0.03 0.46 -0.07 0.99 0.95 0.00 0.00 175.26 177.62 1u11 s THR 53 N -0.99 1.14 0.16 1.83 2.01 -1.26 -0.59 115.64 117.94 1u11 s THR 53 Ca 0.13 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1u11 s THR 53 Cb -0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1u11 s THR 53 CO 0.05 0.25 0.03 -0.76 -0.69 0.00 0.00 174.62 173.50 1u11 s LEU 54 N 1.64 1.92 -0.21 4.42 1.43 0.08 -5.00 118.68 122.95 1u11 s LEU 54 Ca 0.03 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.85 1u11 s LEU 54 Cb -0.14 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.15 1u11 s LEU 54 CO -0.08 -0.65 0.06 -0.63 0.23 0.00 0.00 176.35 175.27 1u11 s ILE 55 N -3.84 4.52 -0.08 -0.59 1.01 -1.26 -1.72 121.20 119.24 1u11 s ILE 55 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1u11 s ILE 55 Cb 0.07 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.51 1u11 s ILE 55 CO 0.04 0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.77 1u11 s VAL 56 N 0.91 -0.12 -0.27 2.92 1.01 0.63 -4.89 120.40 120.60 1u11 s VAL 56 Ca 0.03 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 1u11 s VAL 56 Cb -0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1u11 s VAL 56 CO 0.03 0.05 0.22 -0.55 0.00 0.00 0.00 175.10 174.84 1u11 s SER 57 N 2.17 6.10 0.35 3.32 0.15 -1.26 -3.59 113.70 120.94 1u11 s SER 57 Ca 0.04 0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.85 1u11 s SER 57 Cb -0.13 -2.13 0.66 0.00 -1.71 0.00 0.00 66.02 62.70 1u11 s SER 57 CO -0.05 -0.04 1.86 0.00 1.20 0.00 0.00 173.24 176.20 1u11 h ALA 58 N 8.09 1.38 0.01 5.45 0.00 -1.89 0.50 119.26 132.79 1u11 h ALA 58 Ca -0.35 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 53.99 1u11 h ALA 58 Cb 1.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1u11 h ALA 58 CO 0.60 0.43 -1.91 0.72 0.00 0.00 0.00 179.25 179.09 1u11 n HIS 59 N -4.23 0.77 -0.05 0.00 8.25 -1.26 -3.61 115.22 115.09 1u11 n HIS 59 Ca -0.00 0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 57.71 1u11 n HIS 59 Cb 0.30 -1.14 -0.15 0.00 1.12 0.00 0.00 29.99 30.13 1u11 n HIS 59 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1u11 n ARG 60 N -3.02 0.67 -3.13 -0.41 1.74 -1.23 -4.61 116.66 106.67 1u11 n ARG 60 Ca -0.22 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.61 1u11 n ARG 60 Cb 1.07 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.91 1u11 n ARG 60 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1u11 n THR 61 N -2.61 0.83 -0.08 0.55 -2.24 0.16 -4.95 114.28 105.94 1u11 n THR 61 Ca -0.19 -4.86 0.04 0.00 -2.27 0.00 0.00 64.05 56.77 1u11 n THR 61 Cb 0.91 -0.81 0.37 0.00 -2.10 0.00 0.00 70.33 68.71 1u11 n THR 61 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1u11 h PRO 62 N 3.13 0.68 -0.03 -0.78 0.13 -1.61 -1.88 132.00 131.64 1u11 h PRO 62 Ca 0.11 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 1u11 h PRO 62 Cb 0.81 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1u11 h PRO 62 CO 0.60 0.45 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.68 1u11 h ASP 63 N 0.70 0.19 -0.65 1.44 3.32 -1.90 -1.27 116.42 118.25 1u11 h ASP 63 Ca 0.21 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1u11 h ASP 63 Cb -0.02 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1u11 h ASP 63 CO -0.05 0.83 0.06 -0.09 -1.72 0.00 0.00 179.24 178.27 1u11 h ARG 64 N 0.10 1.10 -0.14 3.56 2.43 -1.76 -1.58 114.38 118.09 1u11 h ARG 64 Ca -0.02 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1u11 h ARG 64 Cb 1.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1u11 h ARG 64 CO 0.10 1.04 0.03 1.25 -1.51 0.00 0.00 179.97 180.88 1u11 h LEU 65 N 1.01 0.23 -0.41 3.80 6.46 -1.17 -0.74 115.31 124.48 1u11 h LEU 65 Ca 0.19 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1u11 h LEU 65 Cb 0.50 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1u11 h LEU 65 CO 0.02 0.41 0.09 0.00 -0.62 0.00 0.00 178.44 178.34 1u11 h ALA 66 N 0.82 0.45 -0.40 1.25 0.00 -1.05 -0.22 119.26 120.11 1u11 h ALA 66 Ca 0.04 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1u11 h ALA 66 Cb 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u11 h ALA 66 CO 0.00 -0.31 0.02 0.22 0.00 0.00 0.00 179.25 179.18 1u11 h ASP 67 N 0.22 0.67 0.08 0.00 3.58 -1.21 -1.29 116.42 118.48 1u11 h ASP 67 Ca 0.20 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1u11 h ASP 67 Cb 0.24 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1u11 h ASP 67 CO -0.26 0.80 -0.05 0.22 -2.88 0.00 0.00 179.24 177.07 1u11 h TYR 68 N 0.53 -0.13 -0.43 0.28 3.20 -0.66 -2.12 116.97 117.63 1u11 h TYR 68 Ca 0.12 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1u11 h TYR 68 Cb 0.44 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1u11 h TYR 68 CO 0.03 -0.08 0.02 0.00 -1.64 0.00 0.00 178.16 176.49 1u11 h ALA 69 N 0.78 0.58 -0.62 1.82 0.00 -1.05 -1.94 119.26 118.82 1u11 h ALA 69 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1u11 h ALA 69 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1u11 h ALA 69 CO 0.01 0.35 0.23 -0.09 0.00 0.00 0.00 179.25 179.75 1u11 h ARG 70 N 0.59 0.91 -0.02 0.00 2.43 -1.18 -3.05 114.38 114.07 1u11 h ARG 70 Ca 0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1u11 h ARG 70 Cb 0.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1u11 h ARG 70 CO 0.02 0.76 -0.06 0.25 -1.51 0.00 0.00 179.97 179.43 1u11 n THR 71 N -4.30 0.00 -0.09 0.20 -2.24 -0.80 -4.56 114.28 102.48 1u11 n THR 71 Ca 0.05 -0.36 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 1u11 n THR 71 Cb 0.18 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1u11 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u11 h ALA 72 N 4.44 0.12 -0.12 6.98 0.00 -1.23 -1.65 119.26 127.79 1u11 h ALA 72 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1u11 h ALA 72 Cb 0.76 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1u11 h ALA 72 CO 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 179.25 178.79 1u11 h ALA 73 N 1.17 0.16 0.00 0.00 0.00 -1.80 -1.90 119.26 116.89 1u11 h ALA 73 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u11 h ALA 73 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u11 h ALA 73 CO -0.39 -0.32 -0.10 1.05 0.00 0.00 0.00 179.25 179.49 1u11 h GLU 74 N 0.12 0.00 -0.00 0.00 4.11 -1.81 -1.06 114.58 115.93 1u11 h GLU 74 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1u11 h GLU 74 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1u11 h GLU 74 CO -0.01 0.10 -0.01 0.54 0.07 0.00 0.00 179.01 179.71 1u11 n ARG 75 N -3.75 0.98 -0.07 1.06 1.74 -0.64 -4.90 116.66 111.08 1u11 n ARG 75 Ca -0.02 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1u11 n ARG 75 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1u11 n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u11 n GLY 76 N 1.08 0.48 3.77 -0.13 0.00 -0.40 -4.91 105.19 105.08 1u11 n GLY 76 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1u11 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u11 s LEU 77 N 0.00 3.99 -0.05 0.99 1.43 -0.75 -4.59 118.68 119.70 1u11 s LEU 77 Ca 0.00 2.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1u11 s LEU 77 Cb 0.00 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 1u11 s LEU 77 CO 0.00 -1.03 0.02 0.59 0.23 0.00 0.00 176.35 176.16 1u11 n ASN 78 N -0.55 3.63 -3.88 2.29 4.13 0.12 -4.40 115.26 116.60 1u11 n ASN 78 Ca 0.08 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.22 1u11 n ASN 78 Cb 0.47 0.65 -0.12 0.00 -1.54 0.00 0.00 39.78 39.24 1u11 n ASN 78 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1u11 s VAL 79 N -2.14 0.03 -0.10 2.41 1.01 -1.08 -4.13 120.40 116.41 1u11 s VAL 79 Ca -0.03 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1u11 s VAL 79 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.21 1u11 s VAL 79 CO 0.23 -0.16 -0.24 -0.63 0.00 0.00 0.00 175.10 174.30 1u11 s ILE 80 N -0.47 2.05 -0.24 2.22 1.01 -0.99 -1.33 121.20 123.44 1u11 s ILE 80 Ca -0.05 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 1u11 s ILE 80 Cb -0.03 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 1u11 s ILE 80 CO 0.00 0.56 -0.00 -0.63 0.00 0.00 0.00 174.94 174.86 1u11 s ILE 81 N 0.38 3.56 -0.08 2.92 1.01 0.55 -0.62 121.20 128.92 1u11 s ILE 81 Ca -0.18 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1u11 s ILE 81 Cb -0.18 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1u11 s ILE 81 CO 0.08 0.32 -0.22 0.00 0.00 0.00 0.00 174.94 175.12 1u11 s ALA 82 N 1.48 2.02 -0.02 9.38 0.00 0.06 -0.74 121.76 133.94 1u11 s ALA 82 Ca 0.05 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1u11 s ALA 82 Cb -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1u11 s ALA 82 CO -0.01 0.29 -0.24 0.20 0.00 0.00 0.00 175.76 176.00 1u11 s GLY 83 N 0.26 1.18 0.07 0.00 0.00 -0.40 -0.65 107.32 107.78 1u11 s GLY 83 Ca -0.14 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 1u11 s GLY 83 CO 0.07 -0.87 0.71 0.00 0.00 0.00 0.00 173.10 173.02 1u11 s ALA 84 N -0.57 -1.70 0.28 3.20 0.00 -1.03 -2.32 121.76 119.62 1u11 s ALA 84 Ca 0.09 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1u11 s ALA 84 Cb -0.09 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 1u11 s ALA 84 CO -0.01 -0.67 -0.03 0.20 0.00 0.00 0.00 175.76 175.25 1u11 s GLY 85 N -2.39 1.86 0.00 0.00 0.00 -1.26 -1.11 107.32 104.42 1u11 s GLY 85 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.80 1u11 s GLY 85 CO -0.08 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 171.80 1u11 n GLY 86 N -0.59 1.84 3.41 0.20 0.00 -1.26 -3.67 105.19 105.12 1u11 n GLY 86 Ca -0.05 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1u11 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u11 n ALA 87 N 10.76 3.94 -2.41 4.61 0.00 -1.26 -2.78 120.51 133.37 1u11 n ALA 87 Ca 0.00 -3.87 -0.41 0.00 0.00 0.00 0.00 53.44 49.16 1u11 n ALA 87 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 19.45 15.84 1u11 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u11 s ALA 88 N 3.95 2.72 -0.33 0.00 0.00 -1.24 -4.83 121.76 122.03 1u11 s ALA 88 Ca 0.52 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.69 1u11 s ALA 88 Cb 0.06 -4.17 -0.14 0.00 0.00 0.00 0.00 23.12 18.87 1u11 s ALA 88 CO 0.05 -3.15 0.38 0.72 0.00 0.00 0.00 175.76 173.75 1u11 n HIS 89 N 9.84 0.00 -0.06 0.00 8.25 -1.26 -4.17 115.22 127.82 1u11 n HIS 89 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 1u11 n HIS 89 Cb 0.49 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 1u11 n HIS 89 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1u11 h LEU 90 N 0.00 -0.62 -0.27 2.41 5.85 -1.93 -0.93 115.31 119.82 1u11 h LEU 90 Ca 0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1u11 h LEU 90 Cb 0.34 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1u11 h LEU 90 CO 0.00 -0.23 0.16 -0.65 -0.34 0.00 0.00 178.44 177.38 1u11 h PRO 91 N -0.17 0.36 -0.67 5.25 0.11 -1.85 -1.30 132.00 133.73 1u11 h PRO 91 Ca 0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1u11 h PRO 91 Cb 0.40 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1u11 h PRO 91 CO -0.38 0.28 0.30 0.78 -0.21 0.00 0.00 178.00 178.78 1u11 h GLY 92 N 0.34 1.06 1.93 -0.55 0.00 -1.81 -1.56 103.07 102.47 1u11 h GLY 92 Ca 0.10 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1u11 h GLY 92 CO -0.02 0.52 -0.67 -0.33 0.00 0.00 0.00 176.54 176.04 1u11 h MET 93 N 0.94 0.07 -0.27 4.80 2.86 -1.12 -2.14 114.93 120.07 1u11 h MET 93 Ca 0.23 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1u11 h MET 93 Cb 0.15 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1u11 h MET 93 CO -0.02 0.71 0.10 0.00 1.06 0.00 0.00 176.91 178.75 1u11 h ALA 95 N 0.94 1.77 0.00 0.00 0.00 -1.12 -1.68 119.26 119.17 1u11 h ALA 95 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1u11 h ALA 95 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u11 h ALA 95 CO -0.01 0.08 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 1u11 h ALA 96 N 1.94 1.24 0.00 0.00 0.00 -0.85 -3.23 119.26 118.37 1u11 h ALA 96 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u11 h ALA 96 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u11 h ALA 96 CO 0.01 0.34 -0.91 0.91 0.00 0.00 0.00 179.25 179.60 1u11 n TRP 97 N -3.77 0.00 -4.38 0.00 8.01 -0.69 -5.00 117.44 111.62 1u11 n TRP 97 Ca -0.01 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.92 1u11 n TRP 97 Cb 0.37 -0.04 -0.12 0.00 -2.01 0.00 0.00 31.31 29.52 1u11 n TRP 97 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 1u11 s THR 98 N -2.70 2.12 -1.53 -0.99 -1.32 -0.88 -3.87 115.64 106.47 1u11 s THR 98 Ca 0.05 -1.92 0.24 0.00 -1.21 0.00 0.00 61.69 58.85 1u11 s THR 98 Cb 0.13 -1.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1u11 s THR 98 CO 0.72 -0.15 1.25 0.54 -2.21 0.00 0.00 174.62 174.76 1u11 n ARG 99 N 0.42 0.61 -1.76 7.08 5.12 -1.26 -4.79 116.66 122.08 1u11 n ARG 99 Ca -0.14 -0.45 -0.32 0.00 -1.93 0.00 0.00 57.85 55.01 1u11 n ARG 99 Cb 0.56 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.41 1u11 n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1u11 s LEU 100 N -2.70 3.32 0.17 0.55 1.43 -1.26 -4.98 118.68 115.21 1u11 s LEU 100 Ca 0.16 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1u11 s LEU 100 Cb 0.18 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1u11 s LEU 100 CO 0.65 -1.44 1.29 -2.16 0.23 0.00 0.00 176.35 174.91 1u11 s PRO 101 N -4.44 4.40 -0.14 1.29 0.04 -1.26 -4.93 135.00 129.97 1u11 s PRO 101 Ca 0.62 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1u11 s PRO 101 Cb -0.16 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1u11 s PRO 101 CO 0.45 -0.25 -0.15 0.08 0.04 0.00 0.00 177.00 177.17 1u11 s VAL 102 N 0.31 2.76 -0.12 -0.36 1.01 -1.26 -2.33 120.40 120.41 1u11 s VAL 102 Ca 0.57 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1u11 s VAL 102 Cb -0.35 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1u11 s VAL 102 CO 0.36 0.52 -0.02 -0.76 0.00 0.00 0.00 175.10 175.20 1u11 s LEU 103 N 0.61 3.42 -0.06 3.92 1.43 0.21 -1.22 118.68 127.00 1u11 s LEU 103 Ca -0.09 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1u11 s LEU 103 Cb -0.16 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1u11 s LEU 103 CO 0.03 0.29 -0.15 -0.83 0.23 0.00 0.00 176.35 175.91 1u11 s GLY 104 N -0.33 1.50 -0.25 -3.19 0.00 0.50 -0.76 107.32 104.79 1u11 s GLY 104 Ca 0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1u11 s GLY 104 CO 0.02 -0.69 -0.08 0.14 0.00 0.00 0.00 173.10 172.49 1u11 s VAL 105 N -0.54 2.63 -0.27 1.40 1.01 0.18 -1.47 120.40 123.33 1u11 s VAL 105 Ca 0.07 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 1u11 s VAL 105 Cb -0.11 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1u11 s VAL 105 CO 0.01 0.16 1.26 -2.84 0.00 0.00 0.00 175.10 173.69 1u11 s PRO 106 N 1.26 4.00 0.09 2.72 0.02 -1.26 -2.47 135.00 139.35 1u11 s PRO 106 Ca -0.02 1.31 -0.27 0.00 0.02 0.00 0.00 61.00 62.04 1u11 s PRO 106 Cb -0.17 -3.84 -0.06 0.00 0.02 0.00 0.00 34.50 30.45 1u11 s PRO 106 CO -0.05 -1.01 0.86 0.08 -0.33 0.00 0.00 177.00 176.55 1u11 s VAL 107 N 4.10 4.59 0.25 3.83 1.01 -0.26 -0.88 120.40 133.04 1u11 s VAL 107 Ca 0.54 1.84 -0.31 0.00 0.00 0.00 0.00 61.98 64.06 1u11 s VAL 107 Cb -0.17 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 1u11 s VAL 107 CO 0.20 0.36 1.63 -0.70 0.00 0.00 0.00 175.10 176.59 1u11 s GLU 108 N -0.13 4.14 0.20 2.72 2.12 -1.26 -4.43 118.70 122.05 1u11 s GLU 108 Ca 0.42 2.56 0.04 0.00 0.36 0.00 0.00 54.97 58.35 1u11 s GLU 108 Cb -0.22 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1u11 s GLU 108 CO 0.26 -0.66 0.30 -1.54 -0.54 0.00 0.00 175.26 173.08 1u11 s SER 109 N 0.79 6.21 0.06 -1.70 1.04 -1.26 -4.74 113.70 114.10 1u11 s SER 109 Ca 0.68 0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.87 1u11 s SER 109 Cb -0.48 -1.82 -0.18 0.00 0.10 0.00 0.00 66.02 63.64 1u11 s SER 109 CO 0.40 -0.01 1.55 -0.09 0.98 0.00 0.00 173.24 176.07 1u11 h ARG 110 N 1.67 -0.81 0.02 4.02 2.43 -1.96 -2.42 114.38 117.32 1u11 h ARG 110 Ca -0.50 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1u11 h ARG 110 Cb 1.21 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1u11 h ARG 110 CO 0.64 -0.52 -0.01 0.00 -1.51 0.00 0.00 179.97 178.57 1u11 h ALA 111 N -0.56 -0.03 -0.33 2.80 0.00 -2.04 -3.37 119.26 115.73 1u11 h ALA 111 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u11 h ALA 111 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1u11 h ALA 111 CO 0.14 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1u11 n LEU 112 N -4.72 2.06 -2.98 0.00 4.77 -1.26 -4.93 117.00 109.93 1u11 n LEU 112 Ca -0.05 -1.03 -0.18 0.00 -0.03 0.00 0.00 56.01 54.71 1u11 n LEU 112 Cb 0.24 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1u11 n LEU 112 CO 0.18 0.46 -0.08 0.29 -1.33 0.00 0.00 177.39 176.91 1u11 n LYS 113 N 0.48 -3.07 -0.57 3.23 4.76 -0.91 -1.24 118.16 120.84 1u11 n LYS 113 Ca 0.12 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 1u11 n LYS 113 Cb 0.35 -5.21 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 1u11 n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u11 n GLY 114 N -1.04 0.89 0.22 0.72 0.00 -1.25 -4.49 105.19 100.24 1u11 n GLY 114 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1u11 n GLY 114 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1u11 h MET 115 N 3.69 0.47 -0.32 1.61 2.86 -1.54 0.13 114.93 121.83 1u11 h MET 115 Ca 0.00 -0.22 -0.17 0.00 -2.06 0.00 0.00 59.70 57.25 1u11 h MET 115 Cb 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1u11 h MET 115 CO 0.00 0.78 -0.46 0.38 1.06 0.00 0.00 176.91 178.67 1u11 h ASP 116 N 0.39 0.93 -0.24 1.22 2.03 -1.85 -2.12 116.42 116.77 1u11 h ASP 116 Ca 0.04 -0.46 -0.01 0.00 -0.73 0.00 0.00 57.03 55.87 1u11 h ASP 116 Cb 0.84 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 1u11 h ASP 116 CO 0.07 1.24 0.11 0.28 -1.03 0.00 0.00 179.24 179.92 1u11 h SER 117 N 0.68 0.32 0.24 4.15 0.02 -1.29 -1.85 113.55 115.81 1u11 h SER 117 Ca 0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1u11 h SER 117 Cb 1.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1u11 h SER 117 CO 0.10 0.36 -0.11 0.25 -1.14 0.00 0.00 176.83 176.29 1u11 h LEU 118 N 0.26 -0.27 -1.23 5.07 5.85 -0.68 -2.50 115.31 121.81 1u11 h LEU 118 Ca 0.08 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1u11 h LEU 118 Cb 0.13 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1u11 h LEU 118 CO -0.01 -0.17 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.74 1u11 h LEU 119 N -0.34 0.38 -1.47 2.25 3.38 -1.38 -0.02 115.31 118.10 1u11 h LEU 119 Ca -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1u11 h LEU 119 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1u11 h LEU 119 CO 0.05 0.53 -0.16 0.28 0.09 0.00 0.00 178.44 179.23 1u11 h SER 120 N 0.37 0.00 0.00 -0.43 0.02 -1.22 -2.99 113.55 109.30 1u11 h SER 120 Ca 0.07 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.58 1u11 h SER 120 Cb 0.43 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 1u11 h SER 120 CO 0.02 0.16 -2.49 -0.38 -1.14 0.00 0.00 176.83 173.00 1u11 n ILE 121 N -3.42 1.52 0.11 3.27 5.41 -0.92 -4.69 119.36 120.65 1u11 n ILE 121 Ca -0.01 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.29 1u11 n ILE 121 Cb 0.34 -1.76 0.06 0.00 -0.71 0.00 0.00 39.64 37.57 1u11 n ILE 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1u11 h VAL 122 N -0.72 1.49 0.00 1.39 3.04 -1.12 -3.35 116.25 116.98 1u11 h VAL 122 Ca -0.66 -2.60 0.00 0.00 -1.01 0.00 0.00 66.70 62.43 1u11 h VAL 122 Cb 1.69 2.42 0.00 0.00 -2.01 0.00 0.00 31.29 33.39 1u11 h VAL 122 CO -0.33 0.73 0.00 0.00 -1.01 0.00 0.00 177.57 176.96 1u11 n GLN 123 N -3.58 0.97 -2.10 4.17 1.13 -1.13 -4.91 117.38 111.93 1u11 n GLN 123 Ca -0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1u11 n GLN 123 Cb 0.74 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 30.05 1u11 n GLN 123 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1u11 s MET 124 N 0.05 4.31 0.74 -1.09 -1.94 -1.26 -4.99 119.30 115.12 1u11 s MET 124 Ca 0.00 2.19 -0.11 0.00 -1.71 0.00 0.00 55.69 56.06 1u11 s MET 124 Cb 0.00 -3.17 0.03 0.00 2.01 0.00 0.00 34.83 33.70 1u11 s MET 124 CO 0.00 -0.39 1.07 -1.25 -0.01 0.00 0.00 175.02 174.44 1u11 s PRO 125 N 0.18 2.59 0.14 2.03 0.04 -1.26 -4.92 135.00 133.79 1u11 s PRO 125 Ca 0.61 0.88 -0.35 0.00 0.04 0.00 0.00 61.00 62.18 1u11 s PRO 125 Cb -0.39 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.04 1u11 s PRO 125 CO 0.38 -1.32 1.46 0.41 0.04 0.00 0.00 177.00 177.96 1u11 n GLY 126 N -1.94 0.81 0.00 0.56 0.00 -1.26 -3.15 105.19 100.21 1u11 n GLY 126 Ca 0.07 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1u11 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u11 n GLY 127 N 2.94 1.44 2.61 -0.02 0.00 -1.26 -5.04 105.19 105.86 1u11 n GLY 127 Ca 0.17 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1u11 n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u11 s VAL 128 N -0.54 0.45 0.45 1.61 1.01 -1.19 -5.12 120.40 117.08 1u11 s VAL 128 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 1u11 s VAL 128 Cb 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1u11 s VAL 128 CO 0.00 -0.77 0.90 -2.84 0.00 0.00 0.00 175.10 172.39 1u11 s PRO 129 N 1.58 3.99 -0.17 2.72 0.02 -1.26 -4.64 135.00 137.24 1u11 s PRO 129 Ca 0.12 0.87 -0.04 0.00 0.02 0.00 0.00 61.00 61.96 1u11 s PRO 129 Cb -0.18 -2.23 0.08 0.00 0.02 0.00 0.00 34.50 32.18 1u11 s PRO 129 CO -0.23 -0.12 0.21 0.08 -0.33 0.00 0.00 177.00 176.61 1u11 s VAL 130 N -2.39 -0.31 -0.41 3.83 1.01 -1.26 -4.61 120.40 116.25 1u11 s VAL 130 Ca 0.58 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1u11 s VAL 130 Cb -0.10 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1u11 s VAL 130 CO 0.25 -0.11 1.33 -0.83 0.00 0.00 0.00 175.10 175.74 1u11 s GLY 131 N 2.32 1.18 -0.06 4.51 0.00 -0.36 -4.80 107.32 110.11 1u11 s GLY 131 Ca 0.05 -0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.46 1u11 s GLY 131 CO -0.10 2.66 0.29 -1.59 0.00 0.00 0.00 173.10 174.36 1u11 s THR 132 N 5.07 5.25 0.54 0.90 2.01 -1.26 -0.37 115.64 127.77 1u11 s THR 132 Ca 0.57 0.56 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1u11 s THR 132 Cb -0.13 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.84 1u11 s THR 132 CO 0.31 0.58 0.40 -0.76 -0.69 0.00 0.00 174.62 174.46 1u11 s LEU 133 N -0.91 2.71 0.85 4.42 2.01 -0.54 -4.94 118.68 122.28 1u11 s LEU 133 Ca 0.20 -1.24 -0.11 0.00 0.01 0.00 0.00 54.13 52.98 1u11 s LEU 133 Cb -0.14 -1.20 0.11 0.00 0.01 0.00 0.00 46.19 44.96 1u11 s LEU 133 CO 0.09 -1.10 1.16 0.00 1.01 0.00 0.00 176.35 177.51 1u11 s ALA 134 N -2.77 1.74 0.21 4.21 0.00 -1.26 -4.41 121.76 119.48 1u11 s ALA 134 Ca 0.34 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1u11 s ALA 134 Cb -0.02 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1u11 s ALA 134 CO 0.21 -2.41 1.45 0.42 0.00 0.00 0.00 175.76 175.43 1u11 s ILE 135 N -2.52 2.78 0.00 0.00 1.01 -1.26 -3.13 121.20 118.08 1u11 s ILE 135 Ca 0.68 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1u11 s ILE 135 Cb -0.24 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1u11 s ILE 135 CO 0.55 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1u11 n GLY 136 N 2.69 -1.57 0.34 6.18 0.00 -0.05 -4.34 105.19 108.44 1u11 n GLY 136 Ca 0.09 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1u11 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u11 h ALA 137 N 0.00 1.58 -0.88 4.61 0.00 -1.88 -0.72 119.26 121.97 1u11 h ALA 137 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1u11 h ALA 137 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1u11 h ALA 137 CO 0.00 -0.09 0.52 0.77 0.00 0.00 0.00 179.25 180.46 1u11 h SER 138 N 0.70 1.06 -0.60 0.00 0.02 -1.87 -1.22 113.55 111.65 1u11 h SER 138 Ca 0.56 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.35 1u11 h SER 138 Cb 0.88 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1u11 h SER 138 CO -0.39 0.82 0.03 1.23 -1.14 0.00 0.00 176.83 177.38 1u11 h GLY 139 N 1.21 1.14 0.90 -3.77 0.00 -1.09 -0.56 103.07 100.89 1u11 h GLY 139 Ca 0.31 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1u11 h GLY 139 CO -0.06 0.74 0.07 0.00 0.00 0.00 0.00 176.54 177.30 1u11 h ALA 140 N 1.05 0.41 -0.56 3.60 0.00 -1.01 0.11 119.26 122.86 1u11 h ALA 140 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u11 h ALA 140 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1u11 h ALA 140 CO 0.02 0.08 0.28 -0.22 0.00 0.00 0.00 179.25 179.41 1u11 h LYS 141 N 0.34 0.80 0.00 0.00 3.64 -1.12 -2.57 116.57 117.67 1u11 h LYS 141 Ca 0.10 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1u11 h LYS 141 Cb 0.31 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1u11 h LYS 141 CO 0.00 0.65 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.59 1u11 h ASN 142 N 0.76 0.00 -0.61 4.20 2.35 -0.87 -1.58 115.58 119.82 1u11 h ASN 142 Ca 0.19 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1u11 h ASN 142 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1u11 h ASN 142 CO -0.03 0.33 0.01 0.00 -1.65 0.00 0.00 177.43 176.10 1u11 h ALA 143 N 1.67 0.82 -0.38 -0.83 0.00 -0.40 0.19 119.26 120.33 1u11 h ALA 143 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1u11 h ALA 143 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1u11 h ALA 143 CO 0.04 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 1u11 h ALA 144 N 0.99 0.52 -0.63 0.00 0.00 -1.11 -0.56 119.26 118.48 1u11 h ALA 144 Ca 0.17 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1u11 h ALA 144 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1u11 h ALA 144 CO 0.03 0.30 0.09 -0.07 0.00 0.00 0.00 179.25 179.60 1u11 h LEU 145 N 0.50 0.98 -0.45 0.00 3.38 -1.03 -0.01 115.31 118.69 1u11 h LEU 145 Ca 0.11 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1u11 h LEU 145 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1u11 h LEU 145 CO 0.02 0.99 0.00 0.25 0.09 0.00 0.00 178.44 179.79 1u11 h LEU 146 N 0.96 0.77 -0.84 1.67 5.85 -0.48 -0.64 115.31 122.60 1u11 h LEU 146 Ca 0.19 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1u11 h LEU 146 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1u11 h LEU 146 CO 0.01 0.89 0.56 0.00 -0.34 0.00 0.00 178.44 179.56 1u11 h ALA 147 N 0.91 1.07 -0.76 1.25 0.00 -0.81 -1.53 119.26 119.38 1u11 h ALA 147 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1u11 h ALA 147 Cb 0.49 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u11 h ALA 147 CO 0.02 0.48 0.33 0.00 0.00 0.00 0.00 179.25 180.08 1u11 h ALA 148 N 1.31 0.98 0.00 0.00 0.00 -0.61 -0.99 119.26 119.96 1u11 h ALA 148 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1u11 h ALA 148 Cb -0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1u11 h ALA 148 CO -0.07 0.58 -0.29 0.66 0.00 0.00 0.00 179.25 180.13 1u11 h SER 149 N 1.09 0.00 -0.03 0.00 4.64 -0.50 0.13 113.55 118.87 1u11 h SER 149 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1u11 h SER 149 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1u11 h SER 149 CO -0.03 0.29 -0.11 0.40 -0.87 0.00 0.00 176.83 176.52 1u11 h ILE 150 N 0.00 1.48 -0.37 0.95 2.04 -0.74 -3.24 117.51 117.64 1u11 h ILE 150 Ca -0.00 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.23 1u11 h ILE 150 Cb 0.57 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1u11 h ILE 150 CO 0.04 0.43 0.03 -0.07 0.00 0.00 0.00 178.15 178.57 1u11 h LEU 151 N -0.47 0.52 -2.69 1.44 3.38 -0.92 -2.54 115.31 114.03 1u11 h LEU 151 Ca -0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u11 h LEU 151 Cb 0.75 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u11 h LEU 151 CO 0.02 0.57 -0.01 0.00 0.09 0.00 0.00 178.44 179.12 1u11 h ALA 152 N 1.50 1.20 0.00 1.53 0.00 -0.78 -2.27 119.26 120.43 1u11 h ALA 152 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1u11 h ALA 152 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u11 h ALA 152 CO 0.01 0.01 -0.06 -0.07 0.00 0.00 0.00 179.25 179.14 1u11 h LEU 153 N 0.00 0.00 -2.57 0.00 3.38 -1.50 -3.05 115.31 111.57 1u11 h LEU 153 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1u11 h LEU 153 Cb 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1u11 h LEU 153 CO 0.00 0.06 -0.49 0.00 0.09 0.00 0.00 178.44 178.10 1u11 n TYR 154 N -3.61 0.00 -3.46 1.13 -0.00 -0.88 -4.94 117.16 105.41 1u11 n TYR 154 Ca -0.02 -0.52 -0.28 0.00 -0.00 0.00 0.00 57.90 57.07 1u11 n TYR 154 Cb 0.17 -0.12 -0.12 0.00 -0.00 0.00 0.00 39.34 39.27 1u11 n TYR 154 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1u11 s ASN 155 N -1.93 2.88 0.29 9.48 3.84 -1.06 -5.02 114.94 123.41 1u11 s ASN 155 Ca 0.19 -2.15 0.03 0.00 0.21 0.00 0.00 52.86 51.14 1u11 s ASN 155 Cb 0.19 -0.35 0.64 0.00 -0.55 0.00 0.00 41.25 41.19 1u11 s ASN 155 CO -0.04 -0.31 1.78 -0.65 -2.79 0.00 0.00 177.10 175.10 1u11 h PRO 156 N 7.02 0.75 -0.23 0.43 0.11 -1.90 -0.12 132.00 138.05 1u11 h PRO 156 Ca 0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1u11 h PRO 156 Cb 0.97 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1u11 h PRO 156 CO 0.26 0.49 0.11 0.00 -0.21 0.00 0.00 178.00 178.65 1u11 h ALA 157 N 1.60 0.30 -0.53 -0.75 0.00 -1.95 -1.83 119.26 116.09 1u11 h ALA 157 Ca 0.53 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1u11 h ALA 157 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1u11 h ALA 157 CO -0.35 -0.14 -0.06 1.25 0.00 0.00 0.00 179.25 179.94 1u11 h LEU 158 N 0.24 0.94 -1.01 0.00 5.85 -1.78 -2.37 115.31 117.17 1u11 h LEU 158 Ca 0.08 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1u11 h LEU 158 Cb 0.12 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1u11 h LEU 158 CO -0.01 1.03 0.65 0.00 -0.34 0.00 0.00 178.44 179.77 1u11 h ALA 159 N 1.06 1.40 -0.38 1.25 0.00 -0.81 0.16 119.26 121.93 1u11 h ALA 159 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1u11 h ALA 159 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u11 h ALA 159 CO 0.04 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.78 1u11 h ALA 160 N 1.45 0.51 -0.62 0.00 0.00 -1.01 -0.56 119.26 119.04 1u11 h ALA 160 Ca 0.43 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1u11 h ALA 160 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1u11 h ALA 160 CO -0.17 0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.49 1u11 h ARG 161 N 0.49 0.96 -0.44 0.00 3.08 -0.82 -1.54 114.38 116.11 1u11 h ARG 161 Ca 0.11 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1u11 h ARG 161 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1u11 h ARG 161 CO 0.01 0.86 -0.12 1.25 -1.07 0.00 0.00 179.97 180.91 1u11 h LEU 162 N 0.92 0.87 -0.50 3.04 5.85 -0.52 -0.99 115.31 123.98 1u11 h LEU 162 Ca 0.20 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1u11 h LEU 162 Cb 0.33 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1u11 h LEU 162 CO -0.00 1.03 0.33 -0.08 -0.34 0.00 0.00 178.44 179.38 1u11 h GLU 163 N 0.69 0.66 -0.77 1.25 4.57 -0.84 0.09 114.58 120.23 1u11 h GLU 163 Ca 0.11 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1u11 h GLU 163 Cb 0.66 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1u11 h GLU 163 CO 0.05 0.44 0.27 1.15 -1.18 0.00 0.00 179.01 179.73 1u11 h THR 164 N 0.68 1.26 -0.07 0.32 2.02 -1.14 -0.65 112.91 115.33 1u11 h THR 164 Ca 0.18 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1u11 h THR 164 Cb -0.08 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1u11 h THR 164 CO -0.04 0.35 0.03 -0.25 0.37 0.00 0.00 175.52 175.98 1u11 h TRP 165 N 1.14 0.11 -0.80 3.16 7.01 -0.64 -0.37 115.95 125.56 1u11 h TRP 165 Ca 0.25 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 1u11 h TRP 165 Cb 0.27 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1u11 h TRP 165 CO 0.02 0.24 0.34 0.00 -2.79 0.00 0.00 178.44 176.26 1u11 h ARG 166 N -0.06 1.19 -0.54 2.65 2.47 -0.87 -1.38 114.38 117.83 1u11 h ARG 166 Ca 0.02 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1u11 h ARG 166 Cb 0.18 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1u11 h ARG 166 CO -0.00 0.94 0.17 0.00 0.56 0.00 0.00 179.97 181.64 1u11 h ALA 167 N 1.18 0.71 -0.66 0.04 0.00 -0.95 -2.32 119.26 117.26 1u11 h ALA 167 Ca 0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1u11 h ALA 167 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1u11 h ALA 167 CO -0.03 0.37 0.11 1.25 0.00 0.00 0.00 179.25 180.95 1u11 h LEU 168 N 0.75 1.04 -0.40 0.00 5.85 -0.81 -1.41 115.31 120.33 1u11 h LEU 168 Ca 0.18 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1u11 h LEU 168 Cb 0.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1u11 h LEU 168 CO -0.01 1.03 0.17 -0.61 -0.34 0.00 0.00 178.44 178.68 1u11 h GLN 169 N 1.02 0.34 -0.64 1.25 4.15 -0.99 0.02 115.11 120.26 1u11 h GLN 169 Ca 0.20 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 1u11 h GLN 169 Cb 0.43 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1u11 h GLN 169 CO 0.01 0.23 0.08 1.15 -1.93 0.00 0.00 178.83 178.37 1u11 h THR 170 N 0.35 1.26 0.00 2.39 2.02 -1.15 -2.98 112.91 114.80 1u11 h THR 170 Ca 0.18 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 1u11 h THR 170 Cb 0.13 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1u11 h THR 170 CO -0.16 0.39 -0.20 0.00 0.37 0.00 0.00 175.52 175.92 1u11 h ALA 171 N 1.02 0.99 -0.00 6.16 0.00 -0.84 -3.15 119.26 123.44 1u11 h ALA 171 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u11 h ALA 171 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u11 h ALA 171 CO 0.02 0.25 -0.03 0.43 0.00 0.00 0.00 179.25 179.92 1u11 n SER 172 N -3.31 0.48 -4.67 0.00 7.64 -0.05 -4.84 113.62 108.87 1u11 n SER 172 Ca 0.01 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 1u11 n SER 172 Cb 0.45 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1u11 n SER 172 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1u11 s VAL 173 N -2.19 4.62 0.80 0.44 1.01 -1.19 -5.02 120.40 118.87 1u11 s VAL 173 Ca 0.38 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 64.18 1u11 s VAL 173 Cb 0.21 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1u11 s VAL 173 CO 0.40 -0.09 1.12 -2.16 0.00 0.00 0.00 175.10 174.37 1u11 s PRO 174 N 2.70 1.96 0.13 2.72 0.04 -1.26 -4.97 135.00 136.33 1u11 s PRO 174 Ca 0.48 1.34 0.17 0.00 0.04 0.00 0.00 61.00 63.03 1u11 s PRO 174 Cb -0.18 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1u11 s PRO 174 CO 0.13 -1.89 1.01 -0.91 0.04 0.00 0.00 177.00 175.38 1u11 h ASN 175 N -1.15 0.00 -5.06 6.66 2.35 -1.99 -3.47 115.58 112.92 1u11 h ASN 175 Ca -0.44 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.17 1u11 h ASN 175 Cb 1.25 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.43 1u11 h ASN 175 CO 0.49 0.48 -0.56 -0.94 -1.65 0.00 0.00 177.43 175.25 1u11 s SER 176 N -5.89 0.19 0.60 5.81 1.04 -1.26 -5.16 113.70 109.02 1u11 s SER 176 Ca -0.01 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 1u11 s SER 176 Cb 0.08 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1u11 s SER 176 CO 0.79 -0.46 1.03 -2.16 0.98 0.00 0.00 173.24 173.42 1u11 s PRO 177 N -2.33 3.49 -0.55 4.02 0.04 -1.26 -4.99 135.00 133.42 1u11 s PRO 177 Ca -0.07 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 1u11 s PRO 177 Cb -0.03 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1u11 s PRO 177 CO -0.03 -0.65 0.89 0.42 0.04 0.00 0.00 177.00 177.66 1u11 s ILE 178 N -2.80 4.46 -0.46 0.56 1.01 -1.26 -4.89 121.20 117.82 1u11 s ILE 178 Ca 0.59 0.14 0.01 0.00 0.00 0.00 0.00 60.65 61.39 1u11 s ILE 178 Cb -0.13 -4.50 0.07 0.00 0.01 0.00 0.00 42.46 37.91 1u11 s ILE 178 CO 0.43 -1.07 0.87 0.35 0.00 0.00 0.00 174.94 175.52 1u11 n THR 179 N 6.10 0.77 -0.45 2.92 -2.24 -1.26 -5.33 114.28 114.79 1u11 n THR 179 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1u11 n THR 179 Cb 0.47 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1u11 n THR 179 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88