#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 h SER 5 N 0.00 0.24 -1.61 1.61 0.02 -2.06 -3.36 113.55 108.39 3d29 h SER 5 Ca 0.00 -0.27 0.48 0.00 -0.84 0.00 0.00 61.79 61.16 3d29 h SER 5 Cb 0.00 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 3d29 h SER 5 CO 0.00 1.21 1.14 -1.14 -1.14 0.00 0.00 176.83 176.91 3d29 n ARG 6 N -3.44 -0.01 -0.02 3.45 0.63 -1.26 -0.04 116.66 115.98 3d29 n ARG 6 Ca -0.06 0.97 0.08 0.00 -0.92 0.00 0.00 57.85 57.92 3d29 n ARG 6 Cb 0.99 -2.16 0.47 0.00 0.45 0.00 0.00 32.46 32.22 3d29 n ARG 6 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3d29 h ARG 7 N 0.00 0.44 -0.47 -0.14 2.43 -2.09 -2.74 114.38 111.81 3d29 h ARG 7 Ca 0.81 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 3d29 h ARG 7 Cb 3.12 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 32.57 3d29 h ARG 7 CO -0.09 0.29 0.00 0.66 -1.51 0.00 0.00 179.97 179.32 3d29 n TYR 8 N -4.48 0.63 -2.49 2.20 4.02 0.95 -4.96 117.16 113.04 3d29 n TYR 8 Ca 0.06 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.10 3d29 n TYR 8 Cb 0.21 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 3d29 n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3d29 s ASP 9 N -1.08 6.80 0.49 7.72 3.68 -1.03 -4.90 116.67 128.34 3d29 s ASP 9 Ca 0.35 1.25 0.28 0.00 2.13 0.00 0.00 52.55 56.55 3d29 s ASP 9 Cb 0.19 -2.54 0.83 0.00 -1.45 0.00 0.00 42.92 39.95 3d29 s ASP 9 CO 0.25 -0.96 1.79 0.28 0.13 0.00 0.00 175.17 176.65 3d29 h SER 10 N 8.74 0.00 -5.42 -0.34 0.02 -1.92 -3.48 113.55 111.15 3d29 h SER 10 Ca -0.24 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 3d29 h SER 10 Cb 1.09 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.73 3d29 h SER 10 CO 1.02 0.03 -0.44 0.54 -1.14 0.00 0.00 176.83 176.84 3d29 n ARG 11 N -3.12 -1.78 0.00 3.45 1.74 -1.26 -4.88 116.66 110.81 3d29 n ARG 11 Ca 0.02 1.17 0.04 0.00 -0.77 0.00 0.00 57.85 58.31 3d29 n ARG 11 Cb 0.43 -5.77 0.18 0.00 -1.02 0.00 0.00 32.46 26.27 3d29 n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3d29 n THR 12 N -2.53 1.34 -2.84 0.55 -2.24 -1.26 -3.74 114.28 103.56 3d29 n THR 12 Ca -0.04 0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.81 3d29 n THR 12 Cb 0.56 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 3d29 n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d29 n THR 13 N -1.47 2.80 -4.28 4.28 -2.24 -1.26 -4.51 114.28 107.60 3d29 n THR 13 Ca 0.02 -5.38 -0.15 0.00 -2.27 0.00 0.00 64.05 56.27 3d29 n THR 13 Cb 0.09 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 66.91 3d29 n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3d29 s ILE 14 N -4.65 1.22 0.38 2.28 -4.36 -1.25 -4.91 121.20 109.91 3d29 s ILE 14 Ca 0.48 -2.08 -0.13 0.00 -0.26 0.00 0.00 60.65 58.67 3d29 s ILE 14 Cb 0.31 -1.97 -0.08 0.00 1.25 0.00 0.00 42.46 41.97 3d29 s ILE 14 CO -0.15 -0.65 0.78 -0.36 0.24 0.00 0.00 174.94 174.81 3d29 s PHE 15 N -3.30 3.42 0.53 1.37 0.08 -1.26 -3.93 117.98 114.89 3d29 s PHE 15 Ca 0.20 1.17 -0.00 0.00 0.12 0.00 0.00 56.93 58.41 3d29 s PHE 15 Cb 0.03 -2.52 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3d29 s PHE 15 CO 0.03 -0.04 0.76 -1.54 -0.10 0.00 0.00 175.22 174.33 3d29 s SER 16 N -2.74 5.49 0.34 1.36 1.04 0.12 -4.86 113.70 114.43 3d29 s SER 16 Ca 0.53 0.20 0.23 0.00 0.48 0.00 0.00 55.95 57.40 3d29 s SER 16 Cb -0.10 -1.22 1.23 0.00 0.10 0.00 0.00 66.02 66.04 3d29 s SER 16 CO 0.25 -1.00 1.70 -0.65 0.98 0.00 0.00 173.24 174.52 3d29 h PRO 17 N 0.13 0.00 -0.31 4.02 0.11 -1.99 0.35 132.00 134.32 3d29 h PRO 17 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3d29 h PRO 17 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3d29 h PRO 17 CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3d29 n GLU 18 N -2.30 2.13 -2.67 1.05 4.71 -1.26 -4.93 120.64 117.36 3d29 n GLU 18 Ca -0.01 -1.72 -0.08 0.00 -0.01 0.00 0.00 57.16 55.34 3d29 n GLU 18 Cb 0.05 -1.45 0.02 0.00 -1.01 0.00 0.00 31.44 29.05 3d29 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d29 n GLY 19 N 1.32 0.32 3.52 0.62 0.00 0.12 -5.05 105.19 106.05 3d29 n GLY 19 Ca 0.18 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3d29 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d29 s ARG 20 N -5.15 1.86 -0.67 1.61 0.52 -1.25 -4.80 118.95 111.08 3d29 s ARG 20 Ca 0.15 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 53.83 3d29 s ARG 20 Cb -0.07 -2.04 0.15 0.00 0.52 0.00 0.00 34.95 33.51 3d29 s ARG 20 CO 0.18 0.42 0.67 -0.51 0.02 0.00 0.00 175.30 176.08 3d29 s LEU 21 N -2.77 6.14 0.00 2.53 1.43 -1.26 0.12 118.68 124.87 3d29 s LEU 21 Ca 0.23 -2.02 -0.00 0.00 -1.03 0.00 0.00 54.13 51.31 3d29 s LEU 21 Cb -0.08 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 3d29 s LEU 21 CO 0.13 -0.83 0.67 -1.22 0.23 0.00 0.00 176.35 175.33 3d29 n TYR 22 N 5.14 -0.00 -0.35 0.29 4.01 -1.25 -1.26 117.16 123.74 3d29 n TYR 22 Ca -0.02 0.01 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 3d29 n TYR 22 Cb 0.43 -0.34 0.35 0.00 -0.31 0.00 0.00 39.34 39.48 3d29 n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3d29 h GLN 23 N 0.00 0.64 -0.25 -0.72 1.08 -1.89 0.86 115.11 114.83 3d29 h GLN 23 Ca 0.00 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3d29 h GLN 23 Cb 0.00 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3d29 h GLN 23 CO -0.01 0.43 0.11 0.28 -0.95 0.00 0.00 178.83 178.69 3d29 h VAL 24 N 0.66 1.15 0.09 -0.54 2.07 -1.51 0.20 116.25 118.38 3d29 h VAL 24 Ca 0.61 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3d29 h VAL 24 Cb 1.06 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3d29 h VAL 24 CO -0.43 0.15 -0.16 -0.33 0.02 0.00 0.00 177.57 176.82 3d29 h GLU 25 N 0.27 -0.29 -0.23 1.57 4.39 -0.13 -0.36 114.58 119.80 3d29 h GLU 25 Ca 0.09 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3d29 h GLU 25 Cb 0.14 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3d29 h GLU 25 CO -0.01 -0.20 0.00 1.88 -1.16 0.00 0.00 179.01 179.53 3d29 h TYR 26 N -0.31 0.33 -0.32 4.33 0.05 -0.73 -0.23 116.97 120.10 3d29 h TYR 26 Ca 0.02 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 3d29 h TYR 26 Cb 0.32 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3d29 h TYR 26 CO -0.17 0.34 -0.13 0.00 -1.05 0.00 0.00 178.16 177.15 3d29 h ALA 27 N 1.69 0.44 -0.72 3.88 0.00 -0.08 -1.70 119.26 122.77 3d29 h ALA 27 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3d29 h ALA 27 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3d29 h ALA 27 CO 0.00 0.33 0.43 -0.07 0.00 0.00 0.00 179.25 179.94 3d29 h LEU 28 N 0.41 0.87 -1.70 0.00 3.38 -0.39 0.13 115.31 118.00 3d29 h LEU 28 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d29 h LEU 28 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3d29 h LEU 28 CO 0.04 0.67 0.13 -0.08 0.09 0.00 0.00 178.44 179.29 3d29 h GLU 29 N 0.99 0.32 -0.12 1.13 4.57 -0.59 -1.18 114.58 119.71 3d29 h GLU 29 Ca 0.26 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.22 3d29 h GLU 29 Cb -0.03 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3d29 h GLU 29 CO -0.05 0.24 -0.70 1.03 -1.18 0.00 0.00 179.01 178.35 3d29 h SER 30 N 0.33 0.82 -0.98 1.04 0.87 0.09 -3.24 113.55 112.48 3d29 h SER 30 Ca 0.09 -0.65 0.02 0.00 -1.23 0.00 0.00 61.79 60.02 3d29 h SER 30 Cb 0.02 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.68 3d29 h SER 30 CO -0.01 1.34 0.64 0.40 -0.53 0.00 0.00 176.83 178.67 3d29 h ILE 31 N 0.37 1.21 0.00 2.23 1.08 -0.05 -2.54 117.51 119.80 3d29 h ILE 31 Ca -0.05 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3d29 h ILE 31 Cb 1.34 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3d29 h ILE 31 CO 0.14 0.23 0.23 0.77 -0.69 0.00 0.00 178.15 178.83 3d29 h SER 32 N 1.28 0.00 -0.10 1.72 4.64 -1.28 0.28 113.55 120.09 3d29 h SER 32 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3d29 h SER 32 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3d29 h SER 32 CO -0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.27 3d29 n HIS 33 N -2.66 0.10 -2.95 4.77 8.25 -0.96 -3.05 115.22 118.72 3d29 n HIS 33 Ca -0.02 -0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.07 3d29 n HIS 33 Cb 0.27 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 3d29 n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d29 s ALA 34 N -1.78 3.30 0.17 -1.41 0.00 0.99 -4.82 121.76 118.21 3d29 s ALA 34 Ca 0.28 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.89 3d29 s ALA 34 Cb 0.19 -2.79 -0.16 0.00 0.00 0.00 0.00 23.12 20.36 3d29 s ALA 34 CO 0.28 0.14 1.04 0.41 0.00 0.00 0.00 175.76 177.64 3d29 n GLY 35 N -0.84 -0.28 3.77 0.00 0.00 -1.26 -1.03 105.19 105.54 3d29 n GLY 35 Ca 0.03 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 3d29 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 36 N -0.37 2.52 -0.04 2.61 2.01 -1.26 -4.49 115.64 116.61 3d29 s THR 36 Ca 0.72 0.52 0.02 0.00 0.31 0.00 0.00 61.69 63.27 3d29 s THR 36 Cb -0.90 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3d29 s THR 36 CO 0.54 0.12 -0.09 0.00 -0.69 0.00 0.00 174.62 174.51 3d29 s ALA 37 N -1.14 0.94 -0.02 7.40 0.00 -0.13 0.04 121.76 128.86 3d29 s ALA 37 Ca 0.50 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3d29 s ALA 37 Cb -0.42 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3d29 s ALA 37 CO 0.56 0.09 -0.21 0.42 0.00 0.00 0.00 175.76 176.62 3d29 s ILE 38 N 0.55 1.67 -0.12 0.00 1.01 0.26 -0.90 121.20 123.67 3d29 s ILE 38 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3d29 s ILE 38 Cb -0.13 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.98 3d29 s ILE 38 CO 0.01 0.47 -0.11 -0.83 0.00 0.00 0.00 174.94 174.49 3d29 s GLY 39 N -0.49 0.94 -0.09 6.18 0.00 0.11 -1.32 107.32 112.64 3d29 s GLY 39 Ca 0.08 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.15 3d29 s GLY 39 CO -0.01 0.60 -0.15 -0.42 0.00 0.00 0.00 173.10 173.12 3d29 s ILE 40 N 1.47 1.41 -0.21 0.90 1.01 -0.37 -0.27 121.20 125.15 3d29 s ILE 40 Ca 0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3d29 s ILE 40 Cb -0.13 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3d29 s ILE 40 CO -0.07 0.42 0.04 -0.32 0.00 0.00 0.00 174.94 175.00 3d29 s MET 41 N 0.83 3.73 0.40 2.79 -2.45 0.42 -0.20 119.30 124.83 3d29 s MET 41 Ca -0.10 -0.46 0.05 0.00 -1.25 0.00 0.00 55.69 53.93 3d29 s MET 41 Cb -0.15 -3.18 0.05 0.00 1.25 0.00 0.00 34.83 32.80 3d29 s MET 41 CO 0.01 0.04 0.45 0.00 1.05 0.00 0.00 175.02 176.57 3d29 n ALA 42 N 4.21 0.76 0.05 4.11 0.00 0.15 -4.86 120.51 124.93 3d29 n ALA 42 Ca -0.17 -1.52 -0.14 0.00 0.00 0.00 0.00 53.44 51.62 3d29 n ALA 42 Cb 0.52 0.51 -0.04 0.00 0.00 0.00 0.00 19.45 20.44 3d29 n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d29 h SER 43 N 0.24 0.60 -0.48 0.00 4.64 -1.78 -3.29 113.55 113.47 3d29 h SER 43 Ca -0.22 -0.46 -0.12 0.00 -0.47 0.00 0.00 61.79 60.53 3d29 h SER 43 Cb 0.89 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 3d29 h SER 43 CO 0.32 1.24 0.09 -0.90 -0.87 0.00 0.00 176.83 176.72 3d29 n ASP 44 N -3.79 4.13 0.00 4.97 3.85 -1.26 -4.96 116.55 119.49 3d29 n ASP 44 Ca -0.07 -3.23 0.00 0.00 -0.71 0.00 0.00 54.79 50.78 3d29 n ASP 44 Cb 0.81 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 3d29 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d29 n GLY 45 N -0.41 -2.70 3.14 6.12 0.00 -1.24 -4.13 105.19 105.96 3d29 n GLY 45 Ca 0.32 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3d29 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d29 s ILE 46 N -2.15 0.85 -0.03 -0.61 1.01 -0.91 0.32 121.20 119.68 3d29 s ILE 46 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.27 3d29 s ILE 46 Cb 0.00 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3d29 s ILE 46 CO 0.00 -0.45 -0.14 -0.69 0.00 0.00 0.00 174.94 173.66 3d29 s VAL 47 N -1.92 1.15 -0.07 2.92 1.01 0.72 -1.50 120.40 122.71 3d29 s VAL 47 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3d29 s VAL 47 Cb -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3d29 s VAL 47 CO 0.00 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.49 3d29 s LEU 48 N -0.09 1.91 -0.10 3.92 1.43 0.57 -1.23 118.68 125.10 3d29 s LEU 48 Ca 0.00 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3d29 s LEU 48 Cb -0.08 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.07 3d29 s LEU 48 CO 0.01 0.13 0.24 0.00 0.23 0.00 0.00 176.35 176.95 3d29 s ALA 49 N 0.29 -0.54 0.07 4.21 0.00 -0.44 -0.79 121.76 124.57 3d29 s ALA 49 Ca -0.12 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3d29 s ALA 49 Cb -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3d29 s ALA 49 CO 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 175.76 175.54 3d29 s ALA 50 N 1.15 0.81 -0.25 0.00 0.00 -0.74 0.90 121.76 123.64 3d29 s ALA 50 Ca -0.08 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 3d29 s ALA 50 Cb -0.10 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3d29 s ALA 50 CO -0.08 -0.07 0.16 -2.00 0.00 0.00 0.00 175.76 173.78 3d29 s GLU 51 N -2.38 4.04 -0.15 0.00 2.12 0.11 -2.04 118.70 120.39 3d29 s GLU 51 Ca -0.01 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 3d29 s GLU 51 Cb -0.05 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3d29 s GLU 51 CO -0.01 0.02 1.60 1.03 -0.54 0.00 0.00 175.26 177.36 3d29 s ARG 52 N 1.17 3.98 0.20 4.30 0.52 0.11 -4.15 118.95 125.06 3d29 s ARG 52 Ca 0.07 1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 56.85 3d29 s ARG 52 Cb -0.14 -3.99 -0.08 0.00 0.52 0.00 0.00 34.95 31.26 3d29 s ARG 52 CO 0.05 -1.08 0.91 0.21 0.02 0.00 0.00 175.30 175.42 3d29 s LYS 53 N 4.33 4.77 0.06 3.54 2.20 -1.26 -4.68 119.74 128.71 3d29 s LYS 53 Ca 0.71 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 3d29 s LYS 53 Cb -0.28 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3d29 s LYS 53 CO 0.28 0.47 0.00 0.28 -0.36 0.00 0.00 175.35 176.02 3d29 n VAL 54 N 1.76 -8.69 -4.13 4.02 0.31 -1.26 -5.03 118.33 105.30 3d29 n VAL 54 Ca -0.02 2.11 -0.10 0.00 -0.01 0.00 0.00 64.34 66.32 3d29 n VAL 54 Cb 0.48 -4.19 -0.09 0.00 -0.91 0.00 0.00 33.84 29.13 3d29 n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3d29 s THR 55 N -0.37 0.07 0.24 2.52 -4.23 -1.26 -5.15 115.64 107.46 3d29 s THR 55 Ca 0.00 -1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 3d29 s THR 55 Cb 0.00 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 3d29 s THR 55 CO 0.00 -0.30 0.43 -0.55 -0.54 0.00 0.00 174.62 173.65 3d29 s SER 56 N -3.07 -0.06 0.19 3.99 0.15 -1.26 -5.02 113.70 108.62 3d29 s SER 56 Ca 0.27 -0.99 -0.09 0.00 0.70 0.00 0.00 55.95 55.84 3d29 s SER 56 Cb 0.06 0.56 0.09 0.00 -1.71 0.00 0.00 66.02 65.02 3d29 s SER 56 CO 0.05 -1.09 1.69 0.74 1.20 0.00 0.00 173.24 175.82 3d29 h THR 57 N 2.31 1.26 0.00 6.45 2.02 -2.02 -3.04 112.91 119.89 3d29 h THR 57 Ca -0.27 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 65.89 3d29 h THR 57 Cb 1.25 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3d29 h THR 57 CO 0.38 0.38 0.00 -0.07 0.37 0.00 0.00 175.52 176.58 3d29 h LEU 58 N 1.02 0.00 -9.52 2.58 4.07 -2.06 -3.46 115.31 107.94 3d29 h LEU 58 Ca 0.20 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.64 3d29 h LEU 58 Cb 0.42 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.20 3d29 h LEU 58 CO 0.01 0.00 1.09 -0.22 -1.08 0.00 0.00 178.44 178.24 3d29 s LEU 59 N -5.13 4.39 -0.68 1.67 2.96 -1.15 -4.90 118.68 115.84 3d29 s LEU 59 Ca 0.08 2.75 -0.27 0.00 -0.22 0.00 0.00 54.13 56.46 3d29 s LEU 59 Cb 0.10 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.24 3d29 s LEU 59 CO 0.58 -0.99 1.31 -0.70 -1.32 0.00 0.00 176.35 175.24 3d29 s GLU 60 N 2.54 3.23 0.15 1.98 2.56 -1.26 -4.88 118.70 123.03 3d29 s GLU 60 Ca 0.80 -0.03 0.05 0.00 0.00 0.00 0.00 54.97 55.78 3d29 s GLU 60 Cb -0.46 -4.16 -0.06 0.00 2.00 0.00 0.00 34.13 31.46 3d29 s GLU 60 CO 0.35 -2.08 1.35 0.37 -0.56 0.00 0.00 175.26 174.70 3d29 h GLN 61 N 10.34 0.10 -0.51 4.30 4.15 -1.94 -3.12 115.11 128.43 3d29 h GLN 61 Ca -0.27 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.05 3d29 h GLN 61 Cb 1.06 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 3d29 h GLN 61 CO 1.25 0.95 0.34 -0.44 -1.93 0.00 0.00 178.83 178.99 3d29 h ASP 62 N 0.05 0.54 -0.01 -0.69 5.19 -2.02 -2.11 116.42 117.35 3d29 h ASP 62 Ca -0.03 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3d29 h ASP 62 Cb 1.59 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.97 3d29 h ASP 62 CO 0.13 0.38 -0.09 0.41 -3.12 0.00 0.00 179.24 176.95 3d29 n THR 63 N -4.47 0.00 -3.41 0.35 -1.04 -1.24 -4.98 114.28 99.49 3d29 n THR 63 Ca 0.05 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.05 61.33 3d29 n THR 63 Cb 0.10 1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 69.77 3d29 n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3d29 s SER 63 N -2.11 6.72 -0.29 8.00 0.15 -0.80 -5.07 113.70 120.31 3d29 s SER 63 Ca 0.28 0.97 -0.05 0.00 0.70 0.00 0.00 55.95 57.85 3d29 s SER 63 Cb 0.20 -2.25 0.15 0.00 -1.71 0.00 0.00 66.02 62.42 3d29 s SER 63 CO 0.36 0.04 0.59 -0.89 1.20 0.00 0.00 173.24 174.54 3d29 s THR 64 N -1.59 -0.94 0.00 6.45 2.01 -1.26 -5.00 115.64 115.31 3d29 s THR 64 Ca 0.41 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3d29 s THR 64 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3d29 s THR 64 CO 0.20 -0.00 0.26 -1.84 -0.69 0.00 0.00 174.62 172.54 3d29 n GLU 65 N 5.43 -0.08 0.00 4.92 0.28 -1.26 -4.91 120.64 125.02 3d29 n GLU 65 Ca -0.06 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.65 3d29 n GLU 65 Cb 0.50 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.70 3d29 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3d29 n LYS 66 N -0.03 1.80 -3.95 3.44 5.02 -1.26 -4.82 118.16 118.36 3d29 n LYS 66 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3d29 n LYS 66 Cb 0.21 -0.46 -0.14 0.00 -0.02 0.00 0.00 35.03 34.62 3d29 n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d29 s LEU 67 N -0.68 2.99 -0.02 -0.35 1.02 -1.26 -0.23 118.68 120.16 3d29 s LEU 67 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 54.13 53.53 3d29 s LEU 67 Cb 0.00 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.52 3d29 s LEU 67 CO 0.00 -0.08 -0.19 -0.31 0.02 0.00 0.00 176.35 175.79 3d29 s TYR 68 N 1.38 1.71 -0.05 0.29 2.02 -0.73 -4.98 117.35 116.99 3d29 s TYR 68 Ca 0.03 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 3d29 s TYR 68 Cb -0.15 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 3d29 s TYR 68 CO -0.05 -0.06 0.73 0.21 -1.57 0.00 0.00 175.55 174.81 3d29 s LYS 69 N -0.34 4.45 -0.19 -0.62 2.20 -1.26 -1.48 119.74 122.50 3d29 s LYS 69 Ca 0.05 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 3d29 s LYS 69 Cb -0.08 -3.44 -0.14 0.00 -1.51 0.00 0.00 37.83 32.66 3d29 s LYS 69 CO -0.00 0.08 -0.15 1.28 -0.36 0.00 0.00 175.35 176.20 3d29 n LEU 70 N 3.68 2.59 0.00 5.43 4.77 -0.67 -4.97 117.00 127.82 3d29 n LEU 70 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3d29 n LEU 70 Cb 0.51 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3d29 n LEU 70 CO 0.47 0.78 0.00 -3.20 -1.33 0.00 0.00 177.39 174.11 3d29 n ASN 71 N -3.02 0.00 0.06 -1.43 4.05 -0.79 -4.61 115.26 109.52 3d29 n ASN 71 Ca -0.34 -0.95 0.12 0.00 0.45 0.00 0.00 54.58 53.86 3d29 n ASN 71 Cb 0.89 0.00 0.18 0.00 1.23 0.00 0.00 39.78 42.08 3d29 n ASN 71 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 3d29 h ASP 72 N 0.00 0.00 -0.00 1.20 3.32 -2.01 -3.34 116.42 115.59 3d29 h ASP 72 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3d29 h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d29 h ASP 72 CO 0.00 0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.91 3d29 n LYS 73 N -2.13 -0.61 -4.27 3.56 5.02 -1.26 -4.40 118.16 114.07 3d29 n LYS 73 Ca 0.03 -0.61 -0.17 0.00 -2.02 0.00 0.00 58.31 55.54 3d29 n LYS 73 Cb 0.44 -1.01 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 3d29 n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d29 s ILE 74 N -0.11 0.72 0.16 -0.18 1.01 -1.26 -1.74 121.20 119.80 3d29 s ILE 74 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3d29 s ILE 74 Cb 0.00 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 3d29 s ILE 74 CO 0.00 0.03 0.28 0.00 0.00 0.00 0.00 174.94 175.25 3d29 s ALA 75 N -0.57 -0.04 0.07 9.38 0.00 -0.44 -1.68 121.76 128.48 3d29 s ALA 75 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3d29 s ALA 75 Cb -0.05 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 3d29 s ALA 75 CO 0.00 -0.63 -0.07 0.14 0.00 0.00 0.00 175.76 175.20 3d29 s VAL 76 N -3.95 0.57 -0.07 0.00 -7.23 -0.55 -1.11 120.40 108.06 3d29 s VAL 76 Ca 0.16 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 3d29 s VAL 76 Cb 0.03 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 3d29 s VAL 76 CO -0.01 -0.65 -0.17 0.00 -0.31 0.00 0.00 175.10 173.95 3d29 s ALA 77 N -2.56 2.50 0.01 1.32 0.00 -0.34 -1.77 121.76 120.92 3d29 s ALA 77 Ca 0.01 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3d29 s ALA 77 Cb -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3d29 s ALA 77 CO -0.03 0.44 -0.07 0.08 0.00 0.00 0.00 175.76 176.19 3d29 s VAL 78 N -0.30 3.65 -0.16 0.00 1.01 0.69 -1.63 120.40 123.67 3d29 s VAL 78 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3d29 s VAL 78 Cb -0.13 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.71 3d29 s VAL 78 CO 0.03 0.36 0.10 0.00 0.00 0.00 0.00 175.10 175.59 3d29 s ALA 79 N -1.02 0.35 0.00 5.51 0.00 -0.69 -4.80 121.76 121.11 3d29 s ALA 79 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3d29 s ALA 79 Cb -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3d29 s ALA 79 CO 0.08 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3d29 n GLY 80 N 5.29 0.60 3.63 0.00 0.00 -1.26 -1.40 105.19 112.04 3d29 n GLY 80 Ca -0.06 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3d29 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 81 N 0.00 3.86 0.22 0.99 2.01 0.25 -4.90 118.68 121.12 3d29 s LEU 81 Ca 0.00 1.57 -0.09 0.00 0.01 0.00 0.00 54.13 55.62 3d29 s LEU 81 Cb 0.00 -3.53 0.20 0.00 0.01 0.00 0.00 46.19 42.86 3d29 s LEU 81 CO 0.00 -1.28 1.89 0.74 1.01 0.00 0.00 176.35 178.71 3d29 h THR 82 N 6.19 1.20 -0.51 5.49 2.02 -1.90 -1.59 112.91 123.80 3d29 h THR 82 Ca -0.33 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.47 3d29 h THR 82 Cb 1.15 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3d29 h THR 82 CO 1.01 0.20 0.34 0.00 0.37 0.00 0.00 175.52 177.44 3d29 h ALA 83 N 1.31 0.65 -0.86 6.16 0.00 -1.99 -1.08 119.26 123.44 3d29 h ALA 83 Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3d29 h ALA 83 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3d29 h ALA 83 CO -0.07 0.09 0.49 -0.44 0.00 0.00 0.00 179.25 179.32 3d29 h ASP 84 N 0.69 1.06 -0.45 0.00 3.45 -1.83 -2.75 116.42 116.60 3d29 h ASP 84 Ca 0.19 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 3d29 h ASP 84 Cb -0.08 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.40 3d29 h ASP 84 CO -0.04 0.84 0.10 0.00 -1.57 0.00 0.00 179.24 178.57 3d29 h ALA 85 N 1.33 0.59 -0.81 3.45 0.00 -0.79 -2.76 119.26 120.26 3d29 h ALA 85 Ca 0.31 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3d29 h ALA 85 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3d29 h ALA 85 CO -0.05 0.29 0.53 0.93 0.00 0.00 0.00 179.25 180.96 3d29 h GLU 86 N 0.60 0.93 0.10 0.00 5.08 -0.93 0.58 114.58 120.94 3d29 h GLU 86 Ca 0.14 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3d29 h GLU 86 Cb 0.34 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3d29 h GLU 86 CO 0.00 0.61 -0.13 0.82 -1.00 0.00 0.00 179.01 179.32 3d29 h ILE 87 N 0.95 0.70 -0.40 3.13 1.08 -1.24 -1.33 117.51 120.41 3d29 h ILE 87 Ca 0.34 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.77 3d29 h ILE 87 Cb 0.12 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3d29 h ILE 87 CO -0.11 0.00 0.10 -0.07 -0.69 0.00 0.00 178.15 177.38 3d29 h LEU 88 N -0.27 0.60 -0.15 1.44 3.38 -1.04 -2.98 115.31 116.30 3d29 h LEU 88 Ca 0.01 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 88 Cb 0.27 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3d29 h LEU 88 CO -0.05 0.67 -0.32 0.40 0.09 0.00 0.00 178.44 179.23 3d29 h ILE 89 N 0.50 0.28 -0.80 1.22 2.04 0.29 -0.19 117.51 120.85 3d29 h ILE 89 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 3d29 h ILE 89 Cb 0.30 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3d29 h ILE 89 CO 0.00 0.00 0.52 -1.13 0.00 0.00 0.00 178.15 177.54 3d29 h ASN 90 N -0.39 0.74 0.58 1.72 -1.24 -1.20 0.20 115.58 115.99 3d29 h ASN 90 Ca 0.10 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.98 3d29 h ASN 90 Cb 0.54 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3d29 h ASN 90 CO -0.36 0.47 -0.63 0.71 -1.29 0.00 0.00 177.43 176.32 3d29 h THR 91 N 0.84 1.44 -0.55 -3.57 1.35 -1.17 -2.36 112.91 108.89 3d29 h THR 91 Ca 0.35 -2.15 -0.10 0.00 -0.55 0.00 0.00 66.41 63.96 3d29 h THR 91 Cb 0.28 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 3d29 h THR 91 CO -0.13 0.62 -0.06 0.00 -0.25 0.00 0.00 175.52 175.70 3d29 h ALA 92 N 1.32 0.86 -0.67 6.62 0.00 0.73 0.05 119.26 128.16 3d29 h ALA 92 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3d29 h ALA 92 Cb 1.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3d29 h ALA 92 CO 0.09 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.27 3d29 h ARG 93 N 0.89 1.00 -0.40 0.00 3.08 -0.82 -1.81 114.38 116.33 3d29 h ARG 93 Ca 0.15 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3d29 h ARG 93 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3d29 h ARG 93 CO 0.04 0.83 0.06 0.82 -1.07 0.00 0.00 179.97 180.64 3d29 h ILE 94 N 0.95 1.24 -0.66 2.04 2.04 -1.18 -2.75 117.51 119.20 3d29 h ILE 94 Ca 0.23 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.27 3d29 h ILE 94 Cb 0.19 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3d29 h ILE 94 CO -0.02 0.31 0.34 -0.74 0.00 0.00 0.00 178.15 178.03 3d29 h HIS 95 N 0.52 0.61 -0.80 1.37 2.76 -0.62 0.43 115.15 119.42 3d29 h HIS 95 Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3d29 h HIS 95 Cb 0.39 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 3d29 h HIS 95 CO 0.03 0.26 0.38 0.00 -1.30 0.00 0.00 177.93 177.29 3d29 h ALA 96 N 1.38 1.03 -0.09 5.26 0.00 -1.24 -1.21 119.26 124.40 3d29 h ALA 96 Ca 0.31 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3d29 h ALA 96 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3d29 h ALA 96 CO -0.22 0.61 -0.53 1.96 0.00 0.00 0.00 179.25 181.06 3d29 h GLN 97 N 1.14 0.24 -0.48 0.00 1.08 -1.07 -1.76 115.11 114.26 3d29 h GLN 97 Ca 0.27 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3d29 h GLN 97 Cb 0.13 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3d29 h GLN 97 CO -0.03 0.72 -0.03 -0.91 -0.95 0.00 0.00 178.83 177.63 3d29 h ASN 98 N 0.19 0.85 -0.09 1.46 2.35 -0.50 0.68 115.58 120.52 3d29 h ASN 98 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3d29 h ASN 98 Cb 1.00 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 3d29 h ASN 98 CO 0.08 0.97 0.06 0.22 -1.65 0.00 0.00 177.43 177.11 3d29 h TYR 99 N 0.71 0.11 -0.28 1.19 3.20 -1.05 -0.31 116.97 120.54 3d29 h TYR 99 Ca 0.13 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3d29 h TYR 99 Cb 0.55 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3d29 h TYR 99 CO 0.04 0.07 0.12 1.25 -1.64 0.00 0.00 178.16 178.00 3d29 h LEU 100 N 0.12 0.17 -1.07 2.82 5.85 -1.13 -0.00 115.31 122.06 3d29 h LEU 100 Ca 0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3d29 h LEU 100 Cb -0.01 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3d29 h LEU 100 CO -0.01 0.14 0.54 0.50 -0.34 0.00 0.00 178.44 179.27 3d29 h LYS 101 N 0.27 1.17 -0.08 1.25 3.64 -0.60 0.51 116.57 122.73 3d29 h LYS 101 Ca 0.12 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3d29 h LYS 101 Cb 0.05 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3d29 h LYS 101 CO -0.09 0.81 -0.45 1.15 -2.27 0.00 0.00 179.45 178.60 3d29 h THR 102 N 1.19 1.40 -0.00 1.00 2.02 -0.49 -3.38 112.91 114.65 3d29 h THR 102 Ca 0.31 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3d29 h THR 102 Cb -0.08 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3d29 h THR 102 CO -0.06 0.54 -0.49 -1.22 0.37 0.00 0.00 175.52 174.65 3d29 n TYR 103 N -4.30 0.00 -3.29 3.16 4.01 -0.07 -5.00 117.16 111.68 3d29 n TYR 103 Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 3d29 n TYR 103 Cb 0.57 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.66 3d29 n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3d29 n ASN 104 N -0.86 -6.29 -3.77 7.72 3.02 0.18 -4.99 115.26 110.28 3d29 n ASN 104 Ca 0.04 -0.41 -0.13 0.00 -0.03 0.00 0.00 54.58 54.05 3d29 n ASN 104 Cb 0.24 -5.01 -0.10 0.00 -0.61 0.00 0.00 39.78 34.30 3d29 n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d29 s GLU 105 N -5.99 0.43 0.56 3.52 2.02 -1.25 -5.07 118.70 112.91 3d29 s GLU 105 Ca 0.44 0.31 -0.21 0.00 0.02 0.00 0.00 54.97 55.53 3d29 s GLU 105 Cb -0.19 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 3d29 s GLU 105 CO 0.54 -0.07 1.36 -0.51 0.02 0.00 0.00 175.26 176.60 3d29 s ASP 106 N -0.13 5.19 0.06 -0.19 1.01 -1.26 -3.84 116.67 117.51 3d29 s ASP 106 Ca -0.03 2.77 -0.31 0.00 0.71 0.00 0.00 52.55 55.70 3d29 s ASP 106 Cb -0.03 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 3d29 s ASP 106 CO 0.01 -1.63 1.36 -0.51 0.21 0.00 0.00 175.17 174.61 3d29 s ILE 107 N -1.30 3.60 0.29 0.77 2.07 -1.26 -4.95 121.20 120.42 3d29 s ILE 107 Ca 0.73 1.10 -0.30 0.00 -1.41 0.00 0.00 60.65 60.76 3d29 s ILE 107 Cb -0.41 -3.70 -0.12 0.00 0.13 0.00 0.00 42.46 38.36 3d29 s ILE 107 CO 0.48 0.05 1.60 -2.65 -1.91 0.00 0.00 174.94 172.50 3d29 n PRO 108 N 4.51 2.70 -0.23 3.50 -0.02 -1.26 -4.88 135.00 139.31 3d29 n PRO 108 Ca 0.12 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.59 3d29 n PRO 108 Cb 0.44 -2.74 0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3d29 n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3d29 h VAL 109 N 3.35 0.45 -0.69 -1.45 2.07 -1.93 -1.63 116.25 116.41 3d29 h VAL 109 Ca -0.47 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3d29 h VAL 109 Cb 1.22 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3d29 h VAL 109 CO 0.79 0.03 0.32 -0.08 0.02 0.00 0.00 177.57 178.65 3d29 h GLU 110 N 0.15 1.00 -0.80 1.57 4.81 -1.99 -2.26 114.58 117.06 3d29 h GLU 110 Ca 0.38 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3d29 h GLU 110 Cb 0.65 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3d29 h GLU 110 CO -0.57 0.78 0.51 0.82 -0.73 0.00 0.00 179.01 179.83 3d29 h ILE 111 N 0.99 1.13 -0.41 2.32 2.04 -1.67 0.14 117.51 122.04 3d29 h ILE 111 Ca 0.24 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3d29 h ILE 111 Cb 0.13 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3d29 h ILE 111 CO -0.03 0.18 0.06 0.25 0.00 0.00 0.00 178.15 178.61 3d29 h LEU 112 N 1.00 0.67 -0.71 1.44 6.46 -1.29 -2.71 115.31 120.17 3d29 h LEU 112 Ca 0.32 -0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3d29 h LEU 112 Cb 0.00 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3d29 h LEU 112 CO -0.11 0.77 0.21 0.58 -0.62 0.00 0.00 178.44 179.27 3d29 h VAL 113 N 0.54 1.26 -0.63 1.05 2.07 -0.82 -2.69 116.25 117.03 3d29 h VAL 113 Ca 0.12 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3d29 h VAL 113 Cb 0.39 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3d29 h VAL 113 CO 0.01 0.36 0.17 -0.09 0.02 0.00 0.00 177.57 178.03 3d29 h ARG 114 N 1.05 1.01 0.07 1.57 2.43 -0.67 -1.30 114.38 118.54 3d29 h ARG 114 Ca 0.23 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3d29 h ARG 114 Cb 0.33 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3d29 h ARG 114 CO -0.00 0.90 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.23 3d29 h ARG 115 N 0.93 -0.10 -0.72 0.20 9.65 -1.39 0.37 114.38 123.33 3d29 h ARG 115 Ca 0.20 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 3d29 h ARG 115 Cb 0.34 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3d29 h ARG 115 CO -0.00 0.03 0.47 -0.07 2.80 0.00 0.00 179.97 183.21 3d29 h LEU 116 N -0.20 0.75 -0.68 3.80 3.38 -1.41 -1.05 115.31 119.91 3d29 h LEU 116 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3d29 h LEU 116 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3d29 h LEU 116 CO 0.02 0.52 -0.48 0.28 0.09 0.00 0.00 178.44 178.87 3d29 h SER 117 N 0.88 0.47 -0.22 -0.43 0.02 -0.89 -2.79 113.55 110.59 3d29 h SER 117 Ca 0.28 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3d29 h SER 117 Cb 0.05 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3d29 h SER 117 CO -0.08 0.88 -0.11 0.44 -1.14 0.00 0.00 176.83 176.82 3d29 h ASP 118 N 0.34 0.58 -0.26 3.07 3.45 0.31 -0.24 116.42 123.68 3d29 h ASP 118 Ca 0.02 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.30 3d29 h ASP 118 Cb 0.98 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3d29 h ASP 118 CO 0.09 0.73 0.07 0.40 -1.57 0.00 0.00 179.24 178.95 3d29 h ILE 119 N 0.55 1.21 -0.38 0.35 2.04 -1.13 -1.66 117.51 118.49 3d29 h ILE 119 Ca 0.10 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3d29 h ILE 119 Cb 0.52 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3d29 h ILE 119 CO 0.03 0.22 0.24 0.11 0.00 0.00 0.00 178.15 178.74 3d29 h LYS 120 N 0.24 0.51 -0.86 2.37 1.57 -1.22 -2.58 116.57 116.60 3d29 h LYS 120 Ca 0.08 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 3d29 h LYS 120 Cb 0.26 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 3d29 h LYS 120 CO -0.00 0.36 0.47 0.37 -0.57 0.00 0.00 179.45 180.08 3d29 h GLN 121 N 0.50 0.68 -0.20 3.15 -0.00 -0.75 -2.37 115.11 116.12 3d29 h GLN 121 Ca 0.14 -0.04 0.04 0.00 -0.00 0.00 0.00 58.65 58.79 3d29 h GLN 121 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.26 3d29 h GLN 121 CO -0.03 0.45 -0.08 0.78 0.00 0.00 0.00 178.83 179.96 3d29 h GLY 122 N 0.70 0.11 1.61 2.39 0.00 -0.89 0.77 103.07 107.76 3d29 h GLY 122 Ca 0.46 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3d29 h GLY 122 CO -0.33 -0.10 0.00 -1.72 0.00 0.00 0.00 176.54 174.39 3d29 n TYR 123 N -5.23 0.00 -0.00 5.60 4.02 -0.90 -0.67 117.16 119.98 3d29 n TYR 123 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 3d29 n TYR 123 Cb 0.15 -0.31 -0.12 0.00 -0.02 0.00 0.00 39.34 39.04 3d29 n TYR 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3d29 n THR 124 N -1.31 0.68 0.23 -0.72 -1.04 0.24 -4.56 114.28 107.81 3d29 n THR 124 Ca 0.00 -0.63 0.04 0.00 -2.04 0.00 0.00 64.05 61.42 3d29 n THR 124 Cb 0.00 -0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.14 3d29 n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3d29 n GLN 125 N -2.58 2.91 -3.47 -2.82 7.27 0.16 -4.70 117.38 114.15 3d29 n GLN 125 Ca -0.11 -0.03 -0.11 0.00 0.07 0.00 0.00 57.00 56.82 3d29 n GLN 125 Cb 0.76 -0.98 -0.03 0.00 2.41 0.00 0.00 30.24 32.40 3d29 n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3d29 s HIS 126 N -2.03 -0.46 0.00 3.69 -3.43 -0.79 -4.99 115.29 107.27 3d29 s HIS 126 Ca 0.01 0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 3d29 s HIS 126 Cb 0.06 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 3d29 s HIS 126 CO 0.33 -0.66 0.00 0.41 -2.00 0.00 0.00 174.74 172.81 3d29 n GLY 127 N -0.13 2.39 2.52 -1.38 0.00 -1.26 -4.43 105.19 102.89 3d29 n GLY 127 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3d29 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 128 N -1.43 1.22 3.81 -0.02 0.00 -1.26 -4.98 105.19 102.52 3d29 n GLY 128 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3d29 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 129 N -4.92 3.82 0.68 0.99 1.43 -1.26 -4.67 118.68 114.75 3d29 s LEU 129 Ca 0.00 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3d29 s LEU 129 Cb 0.00 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3d29 s LEU 129 CO 0.00 0.02 1.09 0.00 0.23 0.00 0.00 176.35 177.69 3d29 s ARG 130 N -3.43 2.81 0.78 1.70 1.70 -1.26 -4.81 118.95 116.44 3d29 s ARG 130 Ca 0.32 1.24 -0.10 0.00 -0.47 0.00 0.00 55.73 56.71 3d29 s ARG 130 Cb -0.09 -1.96 0.08 0.00 -0.57 0.00 0.00 34.95 32.41 3d29 s ARG 130 CO 0.24 -1.22 1.13 -2.14 -1.08 0.00 0.00 175.30 172.23 3d29 s PRO 131 N -4.41 1.97 0.03 3.89 0.02 -1.26 -4.99 135.00 130.25 3d29 s PRO 131 Ca 0.64 -0.04 -0.30 0.00 0.02 0.00 0.00 61.00 61.32 3d29 s PRO 131 Cb -0.18 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 3d29 s PRO 131 CO 0.46 -1.53 0.98 -0.06 -0.33 0.00 0.00 177.00 176.52 3d29 s PHE 132 N -3.49 3.70 -1.40 6.54 0.40 -1.26 -4.93 117.98 117.55 3d29 s PHE 132 Ca 0.62 1.73 -0.10 0.00 -0.60 0.00 0.00 56.93 58.58 3d29 s PHE 132 Cb -0.11 -3.10 0.08 0.00 0.51 0.00 0.00 43.02 40.40 3d29 s PHE 132 CO 0.48 0.04 2.25 0.41 0.70 0.00 0.00 175.22 179.10 3d29 n GLY 133 N 2.71 4.68 3.05 4.36 0.00 -1.26 -4.53 105.19 114.19 3d29 n GLY 133 Ca 0.05 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3d29 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 134 N 1.15 0.09 -0.03 1.61 1.01 -1.26 -0.58 120.40 122.38 3d29 s VAL 134 Ca 0.49 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3d29 s VAL 134 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.18 3d29 s VAL 134 CO -0.05 -0.39 -0.11 -0.44 0.00 0.00 0.00 175.10 174.11 3d29 s SER 135 N -1.28 1.39 0.11 3.32 0.01 -0.49 -2.73 113.70 114.03 3d29 s SER 135 Ca -0.14 -0.22 0.10 0.00 1.31 0.00 0.00 55.95 57.00 3d29 s SER 135 Cb -0.08 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 3d29 s SER 135 CO 0.00 0.09 -0.24 -0.36 0.41 0.00 0.00 173.24 173.14 3d29 s PHE 136 N 0.11 2.38 -0.18 2.43 0.40 0.77 -1.70 117.98 122.19 3d29 s PHE 136 Ca -0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3d29 s PHE 136 Cb -0.08 -1.30 0.01 0.00 0.51 0.00 0.00 43.02 42.15 3d29 s PHE 136 CO 0.01 0.32 -0.17 0.42 0.70 0.00 0.00 175.22 176.49 3d29 s ILE 137 N -1.04 2.33 -0.20 0.64 1.01 -0.64 -1.52 121.20 121.78 3d29 s ILE 137 Ca 0.15 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3d29 s ILE 137 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3d29 s ILE 137 CO 0.06 0.52 0.09 -0.31 0.00 0.00 0.00 174.94 175.31 3d29 s TYR 138 N 1.22 3.31 -0.20 3.97 1.51 0.20 -1.20 117.35 126.15 3d29 s TYR 138 Ca 0.03 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 3d29 s TYR 138 Cb -0.14 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3d29 s TYR 138 CO -0.09 0.18 -0.14 0.00 -1.11 0.00 0.00 175.55 174.38 3d29 s ALA 139 N 0.47 2.24 0.24 3.71 0.00 -0.27 -0.97 121.76 127.18 3d29 s ALA 139 Ca 0.05 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 3d29 s ALA 139 Cb -0.12 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3d29 s ALA 139 CO -0.00 -0.71 0.52 0.20 0.00 0.00 0.00 175.76 175.77 3d29 s GLY 140 N 1.30 0.30 -0.01 0.00 0.00 -0.89 -1.32 107.32 106.69 3d29 s GLY 140 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.07 3d29 s GLY 140 CO -0.09 -0.47 -0.03 -0.47 0.00 0.00 0.00 173.10 172.03 3d29 s TYR 141 N -3.97 0.36 0.16 1.90 6.14 -0.71 -0.59 117.35 120.64 3d29 s TYR 141 Ca 0.18 -0.06 -0.06 0.00 0.64 0.00 0.00 57.07 57.77 3d29 s TYR 141 Cb -0.02 -0.29 -0.02 0.00 0.42 0.00 0.00 41.96 42.05 3d29 s TYR 141 CO 0.06 -0.05 0.21 0.16 0.64 0.00 0.00 175.55 176.58 3d29 s ASP 142 N 0.24 0.12 0.00 4.32 1.47 -1.08 -4.85 116.67 116.89 3d29 s ASP 142 Ca -0.02 -1.02 0.24 0.00 1.18 0.00 0.00 52.55 52.93 3d29 s ASP 142 Cb -0.05 0.40 1.24 0.00 -0.34 0.00 0.00 42.92 44.17 3d29 s ASP 142 CO -0.00 -0.85 1.79 -0.90 0.68 0.00 0.00 175.17 175.88 3d29 n ASP 143 N -0.19 0.00 -0.05 2.11 5.75 -1.26 -0.85 116.55 122.05 3d29 n ASP 143 Ca -0.06 -0.17 -0.04 0.00 -0.01 0.00 0.00 54.79 54.52 3d29 n ASP 143 Cb 0.63 -0.24 -0.14 0.00 -1.03 0.00 0.00 41.12 40.34 3d29 n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3d29 n ARG 144 N -1.24 0.66 0.00 0.11 0.63 -1.26 -4.61 116.66 110.96 3d29 n ARG 144 Ca 0.12 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3d29 n ARG 144 Cb 0.17 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.47 3d29 n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3d29 n TYR 14 N -2.72 0.00 -4.98 -0.14 4.01 -1.24 -5.12 117.16 106.97 3d29 n TYR 14 Ca -0.21 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 3d29 n TYR 14 Cb 0.98 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 3d29 n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d29 n GLY 145 N -0.08 2.70 3.72 2.72 0.00 -0.03 -4.61 105.19 109.61 3d29 n GLY 145 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3d29 n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d29 s TYR 146 N 0.00 3.30 0.05 1.61 2.02 -1.26 -2.63 117.35 120.44 3d29 s TYR 146 Ca 0.00 1.07 0.03 0.00 -0.37 0.00 0.00 57.07 57.80 3d29 s TYR 146 Cb 0.00 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 3d29 s TYR 146 CO 0.00 -2.04 -0.10 -0.65 -1.57 0.00 0.00 175.55 171.19 3d29 s GLN 147 N 0.99 0.61 -0.08 -0.62 -0.21 0.24 -5.00 119.66 115.59 3d29 s GLN 147 Ca 0.62 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 55.19 3d29 s GLN 147 Cb -0.35 -0.45 0.03 0.00 1.00 0.00 0.00 33.01 33.24 3d29 s GLN 147 CO 0.31 0.09 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.37 3d29 s LEU 148 N -1.60 0.82 0.30 2.90 2.96 -1.26 -2.09 118.68 120.72 3d29 s LEU 148 Ca -0.07 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3d29 s LEU 148 Cb -0.10 -0.57 -0.06 0.00 0.50 0.00 0.00 46.19 45.96 3d29 s LEU 148 CO 0.01 -0.16 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.53 3d29 s TYR 149 N 1.82 2.03 -0.09 5.38 2.02 -0.14 -0.53 117.35 127.83 3d29 s TYR 149 Ca 0.04 -0.72 -0.06 0.00 -0.37 0.00 0.00 57.07 55.96 3d29 s TYR 149 Cb -0.12 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.26 3d29 s TYR 149 CO -0.06 0.28 0.22 -0.08 -1.57 0.00 0.00 175.55 174.34 3d29 s THR 150 N -3.00 -0.02 0.03 -0.71 -1.32 -0.50 0.61 115.64 110.72 3d29 s THR 150 Ca 0.31 0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.90 3d29 s THR 150 Cb 0.05 -0.33 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3d29 s THR 150 CO 0.13 0.03 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.54 3d29 s SER 151 N 0.70 1.13 0.40 8.08 1.04 -0.58 -2.03 113.70 122.44 3d29 s SER 151 Ca -0.05 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.05 3d29 s SER 151 Cb -0.06 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 3d29 s SER 151 CO -0.04 -0.02 0.10 0.54 0.98 0.00 0.00 173.24 174.79 3d29 s ASN 152 N -0.94 2.82 0.54 7.02 2.20 -1.19 -0.16 114.94 125.23 3d29 s ASN 152 Ca -0.02 -1.59 0.41 0.00 -0.94 0.00 0.00 52.86 50.72 3d29 s ASN 152 Cb -0.07 0.34 1.60 0.00 -2.00 0.00 0.00 41.25 41.13 3d29 s ASN 152 CO 0.00 -0.83 1.71 -0.65 -2.94 0.00 0.00 177.10 174.39 3d29 h PRO 153 N 1.83 0.02 0.00 3.55 0.11 -1.75 -0.92 132.00 134.84 3d29 h PRO 153 Ca -0.38 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 3d29 h PRO 153 Cb 1.27 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3d29 h PRO 153 CO 0.62 0.01 -0.33 0.66 -0.21 0.00 0.00 178.00 178.75 3d29 h SER 154 N 0.02 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.84 3d29 h SER 154 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3d29 h SER 154 Cb 2.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.91 3d29 h SER 154 CO -0.05 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3d29 n GLY 155 N -0.55 1.05 3.89 -0.77 0.00 -0.35 -4.02 105.19 104.45 3d29 n GLY 155 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3d29 n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d29 s ASN 156 N -2.00 6.50 0.03 1.61 3.04 -1.26 -4.56 114.94 118.30 3d29 s ASN 156 Ca 0.00 0.59 -0.01 0.00 0.04 0.00 0.00 52.86 53.48 3d29 s ASN 156 Cb 0.00 -2.09 -0.03 0.00 -1.54 0.00 0.00 41.25 37.59 3d29 s ASN 156 CO 0.00 0.12 -0.02 -0.72 -3.04 0.00 0.00 177.10 173.45 3d29 s TYR 157 N -1.53 0.35 0.09 0.43 -0.85 -1.26 -3.16 117.35 111.42 3d29 s TYR 157 Ca 0.36 -0.72 -0.12 0.00 -0.52 0.00 0.00 57.07 56.07 3d29 s TYR 157 Cb -0.13 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 41.97 3d29 s TYR 157 CO 0.22 -0.27 0.29 0.95 -1.52 0.00 0.00 175.55 175.22 3d29 s THR 158 N -2.44 0.10 0.14 -3.49 -4.23 -0.86 -4.97 115.64 99.89 3d29 s THR 158 Ca -0.07 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 3d29 s THR 158 Cb -0.03 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 3d29 s THR 158 CO -0.04 -0.47 0.37 -0.83 -0.54 0.00 0.00 174.62 173.11 3d29 s GLY 159 N -2.63 2.19 0.08 3.99 0.00 -1.26 -1.40 107.32 108.29 3d29 s GLY 159 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 3d29 s GLY 159 CO -0.09 -0.53 -0.01 -0.98 0.00 0.00 0.00 173.10 171.49 3d29 s TRP 160 N -1.67 0.68 -0.13 1.90 0.52 0.30 -4.98 118.94 115.56 3d29 s TRP 160 Ca 0.40 -1.09 0.05 0.00 0.02 0.00 0.00 56.10 55.49 3d29 s TRP 160 Cb -0.12 -0.44 -0.23 0.00 -1.15 0.00 0.00 33.47 31.52 3d29 s TRP 160 CO 0.25 -0.38 0.31 1.63 0.02 0.00 0.00 176.95 178.79 3d29 n LYS 161 N 0.03 0.69 -3.64 4.98 5.02 -1.26 -4.25 118.16 119.73 3d29 n LYS 161 Ca -0.11 0.21 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 3d29 n LYS 161 Cb 0.62 -1.67 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 3d29 n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d29 s ALA 162 N -2.55 -1.56 0.05 7.82 0.00 -1.26 -0.43 121.76 123.83 3d29 s ALA 162 Ca -0.17 1.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 3d29 s ALA 162 Cb 0.07 -0.79 0.09 0.00 0.00 0.00 0.00 23.12 22.49 3d29 s ALA 162 CO 0.77 -0.31 0.90 -1.50 0.00 0.00 0.00 175.76 175.62 3d29 s ILE 163 N -0.03 0.00 0.07 0.00 2.07 0.63 -5.00 121.20 118.94 3d29 s ILE 163 Ca -0.03 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 3d29 s ILE 163 Cb -0.04 -1.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.20 3d29 s ILE 163 CO 0.03 0.00 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.06 3d29 s SER 164 N -2.64 0.82 0.04 4.50 1.04 -1.26 0.04 113.70 116.24 3d29 s SER 164 Ca 0.07 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 3d29 s SER 164 Cb -0.01 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3d29 s SER 164 CO -0.06 -0.47 0.00 0.68 0.98 0.00 0.00 173.24 174.37 3d29 s VAL 165 N -3.31 0.16 0.00 5.02 -7.23 -0.08 -4.97 120.40 109.99 3d29 s VAL 165 Ca 0.06 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3d29 s VAL 165 Cb 0.03 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 36.03 3d29 s VAL 165 CO -0.06 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3d29 n GLY 166 N 0.77 0.66 3.88 2.32 0.00 -1.26 -0.95 105.19 110.61 3d29 n GLY 166 Ca -0.19 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 3d29 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ALA 167 N -2.00 3.38 -1.56 4.61 0.00 -0.20 -4.21 121.76 121.78 3d29 s ALA 167 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 3d29 s ALA 167 Cb 0.00 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.57 3d29 s ALA 167 CO 0.00 -0.01 0.86 0.09 0.00 0.00 0.00 175.76 176.69 3d29 n ASN 168 N -1.33 -4.26 -0.06 0.00 3.02 -1.26 -4.57 115.26 106.80 3d29 n ASN 168 Ca 0.02 -0.79 -0.09 0.00 -0.03 0.00 0.00 54.58 53.69 3d29 n ASN 168 Cb 0.54 -3.43 0.07 0.00 -0.61 0.00 0.00 39.78 36.34 3d29 n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3d29 h THR 169 N -1.74 1.29 0.12 3.41 1.35 -1.92 -1.54 112.91 113.88 3d29 h THR 169 Ca -0.56 -1.51 0.01 0.00 -0.55 0.00 0.00 66.41 63.79 3d29 h THR 169 Cb 1.37 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 3d29 h THR 169 CO 0.69 0.49 -0.14 -1.28 -0.25 0.00 0.00 175.52 175.03 3d29 h SER 170 N 0.60 -0.38 -0.34 5.36 0.87 -1.93 0.87 113.55 118.60 3d29 h SER 170 Ca 0.06 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3d29 h SER 170 Cb 0.89 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 3d29 h SER 170 CO 0.08 -0.21 0.22 0.00 -0.53 0.00 0.00 176.83 176.39 3d29 h ALA 171 N 0.55 0.44 -0.70 6.23 0.00 -1.95 -1.79 119.26 122.04 3d29 h ALA 171 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 171 Cb 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3d29 h ALA 171 CO -0.05 -0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.37 3d29 h ALA 172 N 1.13 1.18 -0.40 0.00 0.00 -0.78 -1.81 119.26 118.58 3d29 h ALA 172 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3d29 h ALA 172 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3d29 h ALA 172 CO -0.03 0.60 -0.05 0.37 0.00 0.00 0.00 179.25 180.13 3d29 h GLN 173 N 1.01 0.75 -0.47 0.00 5.75 1.00 -1.78 115.11 121.36 3d29 h GLN 173 Ca 0.24 -0.27 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3d29 h GLN 173 Cb 0.19 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3d29 h GLN 173 CO -0.02 0.86 0.30 1.15 -2.65 0.00 0.00 178.83 178.47 3d29 h THR 174 N 0.57 1.09 -0.14 2.39 2.02 -1.06 0.14 112.91 117.92 3d29 h THR 174 Ca 0.11 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3d29 h THR 174 Cb 0.56 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3d29 h THR 174 CO 0.03 0.11 -0.19 -0.07 0.37 0.00 0.00 175.52 175.77 3d29 h LEU 175 N 0.61 0.23 0.03 2.58 3.38 -1.17 -2.51 115.31 118.47 3d29 h LEU 175 Ca 0.18 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3d29 h LEU 175 Cb -0.04 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3d29 h LEU 175 CO -0.06 0.44 -0.50 -0.07 0.09 0.00 0.00 178.44 178.34 3d29 h LEU 176 N 0.22 0.38 0.00 1.67 3.38 -0.82 -3.07 115.31 117.07 3d29 h LEU 176 Ca 0.04 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3d29 h LEU 176 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3d29 h LEU 176 CO 0.03 1.17 0.00 1.67 0.09 0.00 0.00 178.44 181.40 3d29 n GLN 177 N -4.31 0.21 -0.10 1.13 7.27 0.46 -1.45 117.38 120.59 3d29 n GLN 177 Ca -0.11 0.10 -0.11 0.00 0.07 0.00 0.00 57.00 56.95 3d29 n GLN 177 Cb 0.64 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.65 3d29 n GLN 177 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3d29 n MET 178 N -1.14 0.82 0.00 3.69 1.56 -0.95 -4.67 117.12 116.42 3d29 n MET 178 Ca 0.06 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 3d29 n MET 178 Cb 0.05 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 33.93 3d29 n MET 178 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3d29 n ASP 179 N -2.83 1.72 -4.77 6.12 8.00 -0.90 -5.04 116.55 118.86 3d29 n ASP 179 Ca -0.34 -1.85 -0.39 0.00 0.71 0.00 0.00 54.79 52.92 3d29 n ASP 179 Cb 1.08 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.13 3d29 n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3d29 s TYR 180 N -0.85 3.85 -0.05 1.24 5.04 -0.52 -5.06 117.35 120.99 3d29 s TYR 180 Ca 0.00 1.56 -0.00 0.00 -2.44 0.00 0.00 57.07 56.19 3d29 s TYR 180 Cb 0.00 -2.76 0.03 0.00 0.35 0.00 0.00 41.96 39.57 3d29 s TYR 180 CO 0.00 0.44 -0.02 -1.59 -1.34 0.00 0.00 175.55 173.05 3d29 s LYS 181 N -0.79 0.63 0.52 4.97 -2.85 -1.26 -5.01 119.74 115.94 3d29 s LYS 181 Ca 0.36 0.02 0.45 0.00 -1.00 0.00 0.00 55.97 55.80 3d29 s LYS 181 Cb -0.22 -0.82 1.66 0.00 -2.06 0.00 0.00 37.83 36.39 3d29 s LYS 181 CO 0.25 -0.19 1.58 -0.44 0.10 0.00 0.00 175.35 176.65 3d29 h ASP 182 N 7.69 0.06 -0.64 0.03 3.45 -1.97 0.20 116.42 125.25 3d29 h ASP 182 Ca -0.31 0.05 -0.24 0.00 0.43 0.00 0.00 57.03 56.97 3d29 h ASP 182 Cb 1.14 0.05 -0.14 0.00 -0.56 0.00 0.00 39.33 39.82 3d29 h ASP 182 CO 0.38 -0.08 0.30 -0.90 -1.57 0.00 0.00 179.24 177.37 3d29 n ASP 183 N -4.19 4.05 -4.72 6.45 5.68 -1.26 -4.61 116.55 117.94 3d29 n ASP 183 Ca 0.43 -3.03 -0.31 0.00 -0.50 0.00 0.00 54.79 51.37 3d29 n ASP 183 Cb 1.87 -0.72 0.13 0.00 -1.14 0.00 0.00 41.12 41.26 3d29 n ASP 183 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3d29 s MET 184 N -2.48 1.66 0.13 0.11 -1.94 0.70 -4.91 119.30 112.57 3d29 s MET 184 Ca 0.43 1.42 0.07 0.00 -1.71 0.00 0.00 55.69 55.90 3d29 s MET 184 Cb 0.35 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 3d29 s MET 184 CO 0.10 -2.13 -0.07 0.21 -0.01 0.00 0.00 175.02 173.12 3d29 s LYS 185 N -4.66 2.23 0.19 2.03 2.36 -1.26 -2.87 119.74 117.76 3d29 s LYS 185 Ca 0.65 -1.06 -0.24 0.00 -2.55 0.00 0.00 55.97 52.77 3d29 s LYS 185 Cb -0.21 -2.32 0.08 0.00 -1.05 0.00 0.00 37.83 34.33 3d29 s LYS 185 CO 0.55 0.49 1.52 0.28 1.55 0.00 0.00 175.35 179.74 3d29 n VAL 186 N 0.40 -0.60 0.03 4.02 0.31 -1.26 0.47 118.33 121.70 3d29 n VAL 186 Ca -0.12 2.35 0.15 0.00 -0.01 0.00 0.00 64.34 66.71 3d29 n VAL 186 Cb 0.53 -2.99 0.62 0.00 -0.91 0.00 0.00 33.84 31.09 3d29 n VAL 186 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3d29 h ASP 187 N 0.00 0.11 -0.10 4.52 5.19 -1.98 0.29 116.42 124.45 3d29 h ASP 187 Ca 0.25 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3d29 h ASP 187 Cb 0.49 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 3d29 h ASP 187 CO -0.95 0.06 -0.03 0.44 -3.12 0.00 0.00 179.24 175.65 3d29 h ASP 188 N 0.12 0.20 -0.79 6.45 3.45 -0.37 -2.41 116.42 123.07 3d29 h ASP 188 Ca 0.21 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.30 3d29 h ASP 188 Cb 0.68 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.36 3d29 h ASP 188 CO -0.02 0.53 0.50 0.00 -1.57 0.00 0.00 179.24 178.68 3d29 h ALA 189 N 0.67 1.00 -0.98 3.45 0.00 0.41 -0.55 119.26 123.26 3d29 h ALA 189 Ca 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 189 Cb 0.45 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3d29 h ALA 189 CO 0.01 0.43 0.63 0.82 0.00 0.00 0.00 179.25 181.14 3d29 h ILE 190 N 1.07 0.99 -0.04 0.00 2.04 -0.40 0.78 117.51 121.96 3d29 h ILE 190 Ca 0.29 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 65.62 3d29 h ILE 190 Cb -0.09 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 35.86 3d29 h ILE 190 CO -0.06 0.19 -0.63 -0.08 0.00 0.00 0.00 178.15 177.58 3d29 h GLU 191 N 1.04 0.49 -0.85 2.37 4.81 -0.85 -2.83 114.58 118.76 3d29 h GLU 191 Ca 0.45 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3d29 h GLU 191 Cb 0.35 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3d29 h GLU 191 CO -0.21 1.12 0.56 1.25 -0.73 0.00 0.00 179.01 181.00 3d29 h LEU 192 N 0.05 0.96 0.65 1.64 6.46 -0.59 -0.78 115.31 123.69 3d29 h LEU 192 Ca -0.07 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 3d29 h LEU 192 Cb 1.31 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3d29 h LEU 192 CO 0.13 0.69 -0.31 0.00 -0.62 0.00 0.00 178.44 178.33 3d29 h ALA 193 N 1.48 -0.87 -0.44 1.25 0.00 -0.86 -1.82 119.26 117.99 3d29 h ALA 193 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d29 h ALA 193 Cb -0.11 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d29 h ALA 193 CO -0.07 -0.97 0.29 -0.07 0.00 0.00 0.00 179.25 178.43 3d29 h LEU 194 N -0.91 0.52 -0.28 0.00 3.38 -1.23 -2.19 115.31 114.60 3d29 h LEU 194 Ca -0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 194 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3d29 h LEU 194 CO 0.15 0.38 -0.08 0.11 0.09 0.00 0.00 178.44 179.09 3d29 h LYS 195 N 0.61 0.54 0.23 1.13 1.79 -1.03 -1.83 116.57 118.01 3d29 h LYS 195 Ca 0.16 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3d29 h LYS 195 Cb -0.05 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3d29 h LYS 195 CO -0.03 0.75 -0.13 1.15 -1.08 0.00 0.00 179.45 180.11 3d29 h THR 196 N 0.30 0.73 -0.51 -0.16 2.02 -0.91 -1.47 112.91 112.91 3d29 h THR 196 Ca 0.07 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 3d29 h THR 196 Cb 0.56 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3d29 h THR 196 CO 0.03 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.96 3d29 h LEU 197 N -0.33 0.02 -0.97 2.58 3.38 -1.43 -0.98 115.31 117.58 3d29 h LEU 197 Ca -0.03 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3d29 h LEU 197 Cb 0.27 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3d29 h LEU 197 CO 0.03 0.04 0.58 -1.28 0.09 0.00 0.00 178.44 177.90 3d29 h SER 198 N 0.25 0.78 1.33 -0.43 0.87 -0.80 0.30 113.55 115.85 3d29 h SER 198 Ca 0.26 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3d29 h SER 198 Cb 0.35 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3d29 h SER 198 CO -0.33 0.32 -0.36 0.11 -0.53 0.00 0.00 176.83 176.04 3d29 h LYS 199 N 0.80 0.00 0.00 2.24 1.57 -0.18 -3.34 116.57 117.66 3d29 h LYS 199 Ca 0.54 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.03 3d29 h LYS 199 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 3d29 h LYS 199 CO -0.35 0.00 -2.11 0.25 -0.57 0.00 0.00 179.45 176.67 3d29 n THR 200 N -2.48 1.24 -1.52 -0.16 -2.24 -0.52 -4.99 114.28 103.61 3d29 n THR 200 Ca 0.04 -0.79 -0.56 0.00 -2.27 0.00 0.00 64.05 60.46 3d29 n THR 200 Cb 0.48 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 3d29 n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3d29 n THR 202 N -2.76 0.15 1.04 4.28 -1.04 0.96 -4.84 114.28 112.07 3d29 n THR 202 Ca -0.24 -0.04 0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3d29 n THR 202 Cb 1.03 -0.21 0.58 0.00 -1.82 0.00 0.00 70.33 69.91 3d29 n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3d29 n ASP 203 N 1.76 0.08 -4.92 8.00 8.00 -1.26 -4.87 116.55 123.34 3d29 n ASP 203 Ca 0.19 0.31 -0.27 0.00 0.71 0.00 0.00 54.79 55.74 3d29 n ASP 203 Cb 0.12 -0.37 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 3d29 n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3d29 s SER 204 N -2.95 4.73 0.00 -2.24 0.01 -1.26 -5.04 113.70 106.95 3d29 s SER 204 Ca 0.15 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.98 3d29 s SER 204 Cb 0.19 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.25 3d29 s SER 204 CO 0.55 -1.69 0.93 -1.20 0.41 0.00 0.00 173.24 172.23 3d29 n SER 20 N -3.05 0.00 -4.44 2.44 7.64 -1.26 -4.87 113.62 110.08 3d29 n SER 20 Ca 0.08 0.93 -0.22 0.00 1.01 0.00 0.00 58.87 60.67 3d29 n SER 20 Cb 0.61 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 3d29 n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d29 s ALA 20 N -2.88 2.52 -0.80 -0.43 0.00 -1.26 -5.09 121.76 113.82 3d29 s ALA 20 Ca 0.00 -1.87 -0.15 0.00 0.00 0.00 0.00 51.96 49.95 3d29 s ALA 20 Cb 0.00 -0.09 0.20 0.00 0.00 0.00 0.00 23.12 23.23 3d29 s ALA 20 CO 0.00 0.12 0.76 -1.17 0.00 0.00 0.00 175.76 175.48 3d29 s LEU 205 N -3.47 6.58 0.26 0.00 2.96 -1.26 -5.04 118.68 118.72 3d29 s LEU 205 Ca 0.28 -2.54 0.03 0.00 -0.22 0.00 0.00 54.13 51.68 3d29 s LEU 205 Cb -0.01 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3d29 s LEU 205 CO 0.13 -0.64 0.42 0.42 -1.32 0.00 0.00 176.35 175.36 3d29 s THR 206 N 0.50 5.21 0.37 3.68 -4.23 -1.26 -4.99 115.64 114.91 3d29 s THR 206 Ca 0.17 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 60.02 3d29 s THR 206 Cb -0.12 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.18 3d29 s THR 206 CO -0.07 -0.37 1.95 0.10 -0.54 0.00 0.00 174.62 175.68 3d29 h TYR 207 N 1.18 0.73 0.00 3.99 -0.00 -1.91 -2.29 116.97 118.67 3d29 h TYR 207 Ca -0.51 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.24 3d29 h TYR 207 Cb 1.22 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.71 3d29 h TYR 207 CO 0.48 0.37 0.00 -0.40 -0.00 0.00 0.00 178.16 178.61 3d29 n ASP 208 N -4.49 0.00 -0.37 0.10 5.75 -1.26 -1.67 116.55 114.61 3d29 n ASP 208 Ca 0.11 0.28 0.08 0.00 -0.01 0.00 0.00 54.79 55.26 3d29 n ASP 208 Cb 0.27 -0.33 0.18 0.00 -1.03 0.00 0.00 41.12 40.21 3d29 n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3d29 n ARG 209 N -1.33 1.64 -4.09 0.11 1.74 -0.86 -4.93 116.66 108.93 3d29 n ARG 209 Ca 0.02 -2.79 -0.10 0.00 -0.77 0.00 0.00 57.85 54.21 3d29 n ARG 209 Cb 0.04 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.77 3d29 n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d29 s LEU 210 N -2.96 2.41 -0.02 0.55 1.43 -0.67 0.04 118.68 119.45 3d29 s LEU 210 Ca 0.36 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3d29 s LEU 210 Cb 0.31 0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.55 3d29 s LEU 210 CO 0.02 -0.42 -0.09 -1.61 0.23 0.00 0.00 176.35 174.47 3d29 s GLU 211 N -3.00 0.93 0.06 1.70 2.02 -0.87 -4.89 118.70 114.65 3d29 s GLU 211 Ca 0.01 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.71 3d29 s GLU 211 Cb 0.00 -0.88 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 3d29 s GLU 211 CO -0.05 0.14 -0.10 0.12 0.02 0.00 0.00 175.26 175.40 3d29 s PHE 212 N 0.07 0.86 -0.09 1.61 5.36 -1.26 -1.78 117.98 122.74 3d29 s PHE 212 Ca -0.01 -0.52 -0.27 0.00 -0.96 0.00 0.00 56.93 55.17 3d29 s PHE 212 Cb -0.07 -0.50 0.06 0.00 -0.34 0.00 0.00 43.02 42.17 3d29 s PHE 212 CO 0.00 -0.04 0.62 0.00 -1.46 0.00 0.00 175.22 174.34 3d29 s ALA 213 N -1.53 -1.58 0.03 11.12 0.00 0.03 -0.78 121.76 129.05 3d29 s ALA 213 Ca -0.06 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.20 3d29 s ALA 213 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3d29 s ALA 213 CO 0.01 -0.34 -0.04 0.95 0.00 0.00 0.00 175.76 176.33 3d29 s THR 214 N -0.85 0.25 -0.37 0.00 -4.23 -0.62 -0.31 115.64 109.51 3d29 s THR 214 Ca -0.09 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3d29 s THR 214 Cb -0.02 -0.53 0.11 0.00 1.34 0.00 0.00 72.50 73.41 3d29 s THR 214 CO 0.07 -0.54 0.13 -0.63 -0.54 0.00 0.00 174.62 173.11 3d29 s ILE 215 N -1.77 1.57 0.13 2.99 1.01 -0.56 -1.35 121.20 123.20 3d29 s ILE 215 Ca -0.11 -2.12 0.11 0.00 0.00 0.00 0.00 60.65 58.53 3d29 s ILE 215 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3d29 s ILE 215 CO -0.02 -0.72 -0.27 -0.13 0.00 0.00 0.00 174.94 173.81 3d29 s ARG 216 N 0.94 1.41 -1.16 2.79 0.52 -0.64 -2.14 118.95 120.68 3d29 s ARG 216 Ca 0.13 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 3d29 s ARG 216 Cb -0.20 -1.89 0.23 0.00 0.52 0.00 0.00 34.95 33.61 3d29 s ARG 216 CO -0.12 0.45 1.30 1.17 0.02 0.00 0.00 175.30 178.13 3d29 n LYS 21 N 0.95 3.53 -1.51 3.54 4.81 -1.26 0.01 118.16 128.24 3d29 n LYS 21 Ca -0.18 -4.18 -0.37 0.00 -0.87 0.00 0.00 58.31 52.72 3d29 n LYS 21 Cb 0.53 -2.76 -0.15 0.00 0.02 0.00 0.00 35.03 32.67 3d29 n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d29 n GLY 21 N 3.17 -0.42 0.24 3.14 0.00 -1.23 -4.75 105.19 105.35 3d29 n GLY 21 Ca 0.30 0.89 0.08 0.00 0.00 0.00 0.00 46.02 47.29 3d29 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 n ALA 217 N 10.41 0.29 -1.04 4.61 0.00 -1.26 -2.26 120.51 131.25 3d29 n ALA 217 Ca 0.63 0.75 -0.32 0.00 0.00 0.00 0.00 53.44 54.51 3d29 n ALA 217 Cb 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 3d29 n ALA 217 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d29 n ASN 218 N -5.01 5.27 0.00 0.00 4.05 -1.26 -3.60 115.26 114.70 3d29 n ASN 218 Ca 0.15 -2.49 0.00 0.00 0.45 0.00 0.00 54.58 52.68 3d29 n ASN 218 Cb 0.47 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 40.22 3d29 n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3d29 n ASP 21 N 4.83 0.00 0.00 1.20 2.03 -0.96 -5.01 116.55 118.64 3d29 n ASP 21 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 3d29 n ASP 21 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 3d29 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d29 n GLY 21 N 0.00 0.95 3.76 0.27 0.00 -1.21 -5.10 105.19 103.86 3d29 n GLY 21 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3d29 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d29 s GLU 219 N -0.31 2.66 0.26 1.61 2.12 -1.26 -5.04 118.70 118.74 3d29 s GLU 219 Ca 0.00 -1.23 -0.12 0.00 0.36 0.00 0.00 54.97 53.97 3d29 s GLU 219 Cb 0.00 -2.39 -0.08 0.00 0.26 0.00 0.00 34.13 31.92 3d29 s GLU 219 CO 0.00 0.34 0.63 0.08 -0.54 0.00 0.00 175.26 175.76 3d29 s VAL 21 N -2.24 4.81 -0.02 3.70 1.01 -1.26 -3.53 120.40 122.87 3d29 s VAL 21 Ca 0.34 0.72 0.03 0.00 0.00 0.00 0.00 61.98 63.06 3d29 s VAL 21 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3d29 s VAL 21 CO 0.23 -0.07 -0.09 -0.47 0.00 0.00 0.00 175.10 174.70 3d29 s TYR 220 N -1.83 0.96 -0.13 5.22 6.14 0.10 -4.95 117.35 122.85 3d29 s TYR 220 Ca 0.49 -0.23 -0.08 0.00 0.64 0.00 0.00 57.07 57.89 3d29 s TYR 220 Cb -0.11 -0.67 -0.04 0.00 0.42 0.00 0.00 41.96 41.55 3d29 s TYR 220 CO 0.20 -0.09 0.15 -0.65 0.64 0.00 0.00 175.55 175.80 3d29 s GLN 221 N 0.11 3.55 -0.18 4.97 -0.21 -1.26 -1.61 119.66 125.03 3d29 s GLN 221 Ca -0.02 -0.13 -0.05 0.00 0.02 0.00 0.00 55.36 55.19 3d29 s GLN 221 Cb -0.08 -3.22 0.06 0.00 1.00 0.00 0.00 33.01 30.78 3d29 s GLN 221 CO 0.00 0.72 0.09 0.21 -2.12 0.00 0.00 175.29 174.19 3d29 s LYS 222 N -0.85 0.07 -0.55 2.91 2.20 -0.46 -4.99 119.74 118.07 3d29 s LYS 222 Ca 0.14 -0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.45 3d29 s LYS 222 Cb -0.12 -1.76 0.09 0.00 -1.51 0.00 0.00 37.83 34.53 3d29 s LYS 222 CO 0.04 -0.71 0.62 0.42 -0.36 0.00 0.00 175.35 175.36 3d29 s ILE 223 N 2.14 4.92 0.47 5.43 1.09 -1.26 -1.59 121.20 132.39 3d29 s ILE 223 Ca 0.03 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.46 3d29 s ILE 223 Cb -0.16 -4.38 -0.11 0.00 -1.06 0.00 0.00 42.46 36.76 3d29 s ILE 223 CO -0.12 -0.94 0.68 0.49 -0.10 0.00 0.00 174.94 174.95 3d29 n PHE 224 N 6.04 -0.04 -3.14 3.97 0.99 0.04 -4.97 117.46 120.34 3d29 n PHE 224 Ca -0.09 0.54 -0.21 0.00 -0.00 0.00 0.00 57.45 57.69 3d29 n PHE 224 Cb 0.43 -2.05 0.01 0.00 -1.00 0.00 0.00 39.48 36.87 3d29 n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3d29 s LYS 225 N -1.89 3.04 0.26 -1.08 1.02 -1.26 -4.58 119.74 115.25 3d29 s LYS 225 Ca 0.65 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 3d29 s LYS 225 Cb -0.54 -2.66 0.49 0.00 -0.52 0.00 0.00 37.83 34.61 3d29 s LYS 225 CO 0.56 -0.18 1.61 -1.35 -0.92 0.00 0.00 175.35 175.07 3d29 h PRO 226 N 0.56 0.06 -0.48 -1.68 0.11 -1.94 -0.68 132.00 127.95 3d29 h PRO 226 Ca -0.46 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 3d29 h PRO 226 Cb 1.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3d29 h PRO 226 CO 0.55 0.04 -0.18 0.37 -0.21 0.00 0.00 178.00 178.57 3d29 h GLN 227 N 0.06 0.96 -0.52 1.05 5.75 -1.98 -1.89 115.11 118.54 3d29 h GLN 227 Ca 0.46 -0.40 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3d29 h GLN 227 Cb 0.82 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.30 3d29 h GLN 227 CO -0.78 1.07 0.34 0.93 -2.65 0.00 0.00 178.83 177.74 3d29 h GLU 228 N 0.82 0.58 -0.00 1.69 5.08 -1.53 0.40 114.58 121.61 3d29 h GLU 228 Ca 0.11 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 3d29 h GLU 228 Cb 0.75 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3d29 h GLU 228 CO 0.06 0.39 -1.00 0.82 -1.00 0.00 0.00 179.01 178.28 3d29 h ILE 229 N 0.60 1.33 -0.56 3.13 2.04 -1.15 -2.66 117.51 120.25 3d29 h ILE 229 Ca 0.21 -2.33 -0.03 0.00 1.00 0.00 0.00 64.86 63.71 3d29 h ILE 229 Cb 0.08 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3d29 h ILE 229 CO -0.05 0.71 0.23 0.50 0.00 0.00 0.00 178.15 179.53 3d29 h LYS 230 N 0.33 0.80 0.31 2.37 3.64 -0.45 -1.26 116.57 122.31 3d29 h LYS 230 Ca -0.11 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3d29 h LYS 230 Cb 1.64 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3d29 h LYS 230 CO 0.19 0.66 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.43 3d29 h ASP 231 N 0.80 -0.36 -1.10 4.20 3.45 -0.93 -3.01 116.42 119.46 3d29 h ASP 231 Ca 0.19 0.01 0.32 0.00 0.43 0.00 0.00 57.03 57.98 3d29 h ASP 231 Cb 0.15 0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 38.96 3d29 h ASP 231 CO -0.02 -0.15 0.79 -0.29 -1.57 0.00 0.00 179.24 177.99 3d29 h ILE 232 N -0.63 0.45 -0.36 0.35 6.09 -1.47 0.20 117.51 122.15 3d29 h ILE 232 Ca -0.04 -0.01 -0.13 0.00 -1.37 0.00 0.00 64.86 63.30 3d29 h ILE 232 Cb 0.32 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 3d29 h ILE 232 CO 0.07 0.01 -0.32 0.25 -3.07 0.00 0.00 178.15 175.09 3d29 h LEU 233 N 0.03 0.82 -0.30 2.19 5.85 -1.23 -2.21 115.31 120.46 3d29 h LEU 233 Ca 0.53 -0.34 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 3d29 h LEU 233 Cb 2.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3d29 h LEU 233 CO -0.03 1.07 -0.68 0.58 -0.34 0.00 0.00 178.44 179.04 3d29 h VAL 234 N 0.66 1.30 0.81 1.05 2.07 -0.48 -1.33 116.25 120.33 3d29 h VAL 234 Ca 0.07 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 3d29 h VAL 234 Cb 0.86 1.89 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3d29 h VAL 234 CO 0.08 0.60 -0.39 0.11 0.02 0.00 0.00 177.57 177.99 3d29 h LYS 235 N 0.50 -1.05 0.00 1.57 1.79 -1.31 -2.55 116.57 115.51 3d29 h LYS 235 Ca -0.02 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3d29 h LYS 235 Cb 1.28 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 3d29 h LYS 235 CO 0.14 -0.69 0.10 0.25 -1.08 0.00 0.00 179.45 178.17 3d29 n THR 236 N -5.52 1.37 -1.19 -0.16 -2.24 -0.84 -4.75 114.28 100.96 3d29 n THR 236 Ca -0.14 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3d29 n THR 236 Cb 0.44 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 3d29 n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d29 n GLY 237 N -1.33 0.79 0.00 3.38 0.00 -0.96 -4.98 105.19 102.09 3d29 n GLY 237 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3d29 n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d29 n ILE 238 N -1.00 0.00 0.00 -0.61 5.41 -0.57 -5.05 119.36 117.55 3d29 n ILE 238 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3d29 n ILE 238 Cb 0.26 1.23 0.00 0.00 -0.71 0.00 0.00 39.64 40.42 3d29 n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96