#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 0.31 -1.60 1.61 0.02 -2.06 -3.36 113.55 108.47 3d29 h SER 5 Ca 0.00 -0.34 0.47 0.00 -0.84 0.00 0.00 61.79 61.08 3d29 h SER 5 Cb 0.00 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 3d29 h SER 5 CO 0.00 1.27 1.15 -1.14 -1.14 0.00 0.00 176.83 176.97 3d29 n ARG 6 N -3.48 -0.00 -0.03 3.45 0.63 -1.26 0.02 116.66 116.00 3d29 n ARG 6 Ca -0.07 0.90 0.06 0.00 -0.92 0.00 0.00 57.85 57.82 3d29 n ARG 6 Cb 1.01 -2.06 0.44 0.00 0.45 0.00 0.00 32.46 32.29 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 0.52 -0.51 -0.14 2.43 -2.09 -2.78 114.38 111.82 3d29 h ARG 7 Ca 0.77 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.91 3d29 h ARG 7 Cb 3.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.51 3d29 h ARG 7 CO -0.04 0.34 0.00 0.66 -1.51 0.00 0.00 179.97 179.43 3d29 n TYR 8 N -4.47 0.67 -2.50 2.20 4.02 0.10 -4.95 117.16 112.22 3d29 n TYR 8 Ca 0.05 -0.43 -0.43 0.00 -0.01 0.00 0.00 57.90 57.08 3d29 n TYR 8 Cb 0.13 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 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 6.81 0.47 7.72 3.68 -1.05 -4.90 116.67 128.31 3d29 s ASP 9 Ca 0.37 1.22 0.27 0.00 2.13 0.00 0.00 52.55 56.53 3d29 s ASP 9 Cb 0.20 -2.54 0.82 0.00 -1.45 0.00 0.00 42.92 39.95 3d29 s ASP 9 CO 0.26 -0.96 1.78 0.28 0.13 0.00 0.00 175.17 176.66 3d29 h SER 10 N 8.70 0.00 -5.39 -0.34 0.02 -1.92 -3.48 113.55 111.13 3d29 h SER 10 Ca -0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.54 3d29 h SER 10 Cb 1.08 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.76 3d29 h SER 10 CO 1.02 0.08 -0.60 0.54 -1.14 0.00 0.00 176.83 176.74 3d29 n ARG 11 N -3.16 -1.95 0.00 3.45 1.74 -1.26 -4.88 116.66 110.60 3d29 n ARG 11 Ca 0.02 1.04 0.03 0.00 -0.77 0.00 0.00 57.85 58.17 3d29 n ARG 11 Cb 0.44 -5.76 0.14 0.00 -1.02 0.00 0.00 32.46 26.26 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 -2.78 1.27 -2.83 0.55 -2.24 -1.26 -3.69 114.28 103.30 3d29 n THR 12 Ca -0.05 0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.79 3d29 n THR 12 Cb 0.58 -1.22 -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 -1.40 2.60 -4.29 4.28 -2.24 -1.26 -4.52 114.28 107.45 3d29 n THR 13 Ca 0.02 -5.27 -0.16 0.00 -2.27 0.00 0.00 64.05 56.38 3d29 n THR 13 Cb 0.06 -1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 66.97 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 -4.57 1.22 0.38 2.28 -4.36 -1.24 -4.90 121.20 110.00 3d29 s ILE 14 Ca 0.47 -2.07 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 3d29 s ILE 14 Cb 0.32 -2.03 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 3d29 s ILE 14 CO -0.14 -0.60 0.78 -0.36 0.24 0.00 0.00 174.94 174.86 3d29 s PHE 15 N -3.30 3.42 0.55 1.37 0.08 -1.26 -3.94 117.98 114.90 3d29 s PHE 15 Ca 0.21 1.17 -0.01 0.00 0.12 0.00 0.00 56.93 58.43 3d29 s PHE 15 Cb 0.03 -2.53 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3d29 s PHE 15 CO 0.04 -0.05 0.79 -1.54 -0.10 0.00 0.00 175.22 174.36 3d29 s SER 16 N -2.76 5.37 0.34 1.36 1.04 0.10 -4.86 113.70 114.29 3d29 s SER 16 Ca 0.53 0.19 0.24 0.00 0.48 0.00 0.00 55.95 57.39 3d29 s SER 16 Cb -0.10 -1.14 1.24 0.00 0.10 0.00 0.00 66.02 66.12 3d29 s SER 16 CO 0.25 -1.09 1.72 -0.65 0.98 0.00 0.00 173.24 174.45 3d29 h PRO 17 N 0.04 0.00 -0.26 4.02 0.11 -1.98 0.24 132.00 134.16 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 -2.33 2.03 -2.66 1.05 4.71 -1.26 -4.93 120.64 117.25 3d29 n GLU 18 Ca -0.01 -1.56 -0.08 0.00 -0.01 0.00 0.00 57.16 55.50 3d29 n GLU 18 Cb 0.07 -1.44 0.02 0.00 -1.01 0.00 0.00 31.44 29.08 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 1.27 0.36 3.52 0.62 0.00 0.83 -5.05 105.19 106.74 3d29 n GLY 19 Ca 0.17 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.13 1.86 -0.66 1.61 0.52 -1.26 -4.80 118.95 111.09 3d29 s ARG 20 Ca 0.14 -1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 53.80 3d29 s ARG 20 Cb -0.06 -2.03 0.15 0.00 0.52 0.00 0.00 34.95 33.53 3d29 s ARG 20 CO 0.17 0.42 0.67 -0.51 0.02 0.00 0.00 175.30 176.06 3d29 s LEU 21 N -2.83 6.13 0.00 2.53 1.43 -1.26 0.00 118.68 124.68 3d29 s LEU 21 Ca 0.24 -2.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 3d29 s LEU 21 Cb -0.08 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3d29 s LEU 21 CO 0.13 -0.84 0.66 -1.22 0.23 0.00 0.00 176.35 175.32 3d29 n TYR 22 N 5.16 0.00 -0.34 0.29 4.01 -1.25 -1.27 117.16 123.76 3d29 n TYR 22 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 3d29 n TYR 22 Cb 0.43 -0.33 0.38 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.63 -0.22 -0.72 1.08 -1.89 0.98 115.11 114.97 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 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3d29 h GLN 23 CO 0.00 0.42 0.09 0.28 -0.95 0.00 0.00 178.83 178.67 3d29 h VAL 24 N 0.65 1.16 0.03 -0.54 2.07 -1.52 0.22 116.25 118.33 3d29 h VAL 24 Ca 0.59 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3d29 h VAL 24 Cb 1.07 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3d29 h VAL 24 CO -0.37 0.16 -0.14 -0.33 0.02 0.00 0.00 177.57 176.90 3d29 h GLU 25 N 0.20 -0.25 -0.14 1.57 4.39 -0.10 -0.31 114.58 119.95 3d29 h GLU 25 Ca 0.07 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3d29 h GLU 25 Cb 0.16 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3d29 h GLU 25 CO -0.01 -0.17 -0.10 1.88 -1.16 0.00 0.00 179.01 179.46 3d29 h TYR 26 N -0.26 0.22 -0.24 4.33 0.05 -0.70 -0.60 116.97 119.77 3d29 h TYR 26 Ca 0.04 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 3d29 h TYR 26 Cb 0.30 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3d29 h TYR 26 CO -0.18 0.32 -0.12 0.00 -1.05 0.00 0.00 178.16 177.13 3d29 h ALA 27 N 1.70 0.34 -0.93 3.88 0.00 0.04 -1.67 119.26 122.63 3d29 h ALA 27 Ca 0.04 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3d29 h ALA 27 Cb 0.31 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3d29 h ALA 27 CO 0.02 0.20 0.61 -0.07 0.00 0.00 0.00 179.25 180.01 3d29 h LEU 28 N 0.23 1.00 -1.79 0.00 3.38 -0.51 0.26 115.31 117.87 3d29 h LEU 28 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3d29 h LEU 28 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3d29 h LEU 28 CO 0.04 0.68 0.15 -0.08 0.09 0.00 0.00 178.44 179.31 3d29 h GLU 29 N 1.15 0.28 -0.10 1.13 4.57 -0.67 -1.08 114.58 119.85 3d29 h GLU 29 Ca 0.38 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 58.30 3d29 h GLU 29 Cb 0.05 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3d29 h GLU 29 CO -0.12 0.18 -0.86 1.03 -1.18 0.00 0.00 179.01 178.06 3d29 h SER 30 N 0.28 0.93 -0.94 1.04 0.87 0.34 -3.24 113.55 112.83 3d29 h SER 30 Ca 0.08 -0.67 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3d29 h SER 30 Cb -0.00 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.63 3d29 h SER 30 CO -0.02 1.46 0.57 0.40 -0.53 0.00 0.00 176.83 178.71 3d29 h ILE 31 N 0.48 1.26 0.00 2.23 1.08 0.07 -2.64 117.51 119.98 3d29 h ILE 31 Ca -0.08 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3d29 h ILE 31 Cb 1.50 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3d29 h ILE 31 CO 0.17 0.27 0.21 0.77 -0.69 0.00 0.00 178.15 178.88 3d29 h SER 32 N 1.29 0.00 -0.15 1.72 4.64 -1.27 0.26 113.55 120.03 3d29 h SER 32 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3d29 h SER 32 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3d29 h SER 32 CO -0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.31 3d29 n HIS 33 N -2.45 0.18 -3.03 4.77 8.25 -0.99 -3.11 115.22 118.83 3d29 n HIS 33 Ca -0.02 -0.10 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 3d29 n HIS 33 Cb 0.25 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.57 3.35 0.16 -1.41 0.00 0.90 -4.82 121.76 118.37 3d29 s ALA 34 Ca 0.28 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.81 3d29 s ALA 34 Cb 0.18 -2.71 -0.16 0.00 0.00 0.00 0.00 23.12 20.43 3d29 s ALA 34 CO 0.27 0.19 1.02 0.41 0.00 0.00 0.00 175.76 177.65 3d29 n GLY 35 N -0.78 -0.34 3.77 0.00 0.00 -1.26 -0.89 105.19 105.68 3d29 n GLY 35 Ca 0.03 0.52 -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 2.55 -0.05 2.61 2.01 -1.26 -4.49 115.64 116.63 3d29 s THR 36 Ca 0.73 0.55 0.02 0.00 0.31 0.00 0.00 61.69 63.30 3d29 s THR 36 Cb -0.92 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 68.26 3d29 s THR 36 CO 0.54 0.13 -0.09 0.00 -0.69 0.00 0.00 174.62 174.51 3d29 s ALA 37 N -1.08 0.96 0.00 7.40 0.00 -0.19 0.06 121.76 128.91 3d29 s ALA 37 Ca 0.50 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.27 3d29 s ALA 37 Cb -0.42 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3d29 s ALA 37 CO 0.55 0.08 -0.23 0.42 0.00 0.00 0.00 175.76 176.58 3d29 s ILE 38 N 0.63 1.81 -0.11 0.00 1.01 0.24 -0.81 121.20 123.96 3d29 s ILE 38 Ca -0.11 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.47 3d29 s ILE 38 Cb -0.14 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3d29 s ILE 38 CO 0.02 0.43 -0.07 -0.83 0.00 0.00 0.00 174.94 174.48 3d29 s GLY 39 N -0.76 0.81 -0.10 6.18 0.00 0.12 -1.33 107.32 112.25 3d29 s GLY 39 Ca 0.09 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.30 3d29 s GLY 39 CO 0.00 0.81 -0.16 -0.42 0.00 0.00 0.00 173.10 173.33 3d29 s ILE 40 N 1.70 1.50 -0.21 0.90 1.01 -0.50 -0.26 121.20 125.34 3d29 s ILE 40 Ca 0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3d29 s ILE 40 Cb -0.13 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3d29 s ILE 40 CO -0.08 0.44 0.04 -0.32 0.00 0.00 0.00 174.94 175.02 3d29 s MET 41 N 0.79 3.72 0.41 2.79 -2.45 0.39 -0.21 119.30 124.75 3d29 s MET 41 Ca -0.11 -0.46 0.06 0.00 -1.25 0.00 0.00 55.69 53.93 3d29 s MET 41 Cb -0.16 -3.21 0.06 0.00 1.25 0.00 0.00 34.83 32.77 3d29 s MET 41 CO 0.02 -0.00 0.48 0.00 1.05 0.00 0.00 175.02 176.57 3d29 n ALA 42 N 4.34 0.80 0.06 4.11 0.00 0.16 -4.86 120.51 125.11 3d29 n ALA 42 Ca -0.17 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 3d29 n ALA 42 Cb 0.52 0.50 -0.03 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 0.21 0.53 -0.47 0.00 4.64 -1.78 -3.28 113.55 113.40 3d29 h SER 43 Ca -0.22 -0.40 -0.13 0.00 -0.47 0.00 0.00 61.79 60.57 3d29 h SER 43 Cb 0.91 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.76 3d29 h SER 43 CO 0.32 1.19 0.09 -0.90 -0.87 0.00 0.00 176.83 176.66 3d29 n ASP 44 N -3.77 3.86 0.00 4.97 3.85 -1.26 -4.97 116.55 119.23 3d29 n ASP 44 Ca -0.06 -3.30 0.00 0.00 -0.71 0.00 0.00 54.79 50.72 3d29 n ASP 44 Cb 0.80 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 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 -0.56 -2.54 3.10 6.12 0.00 -1.24 -4.15 105.19 105.92 3d29 n GLY 45 Ca 0.32 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.22 0.67 -0.03 -0.61 1.01 -0.94 0.38 121.20 119.47 3d29 s ILE 46 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.44 3d29 s ILE 46 Cb 0.00 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3d29 s ILE 46 CO 0.00 -0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 173.66 3d29 s VAL 47 N -1.71 1.25 -0.07 2.92 1.01 0.71 -1.40 120.40 123.11 3d29 s VAL 47 Ca -0.05 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3d29 s VAL 47 Cb -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3d29 s VAL 47 CO 0.00 0.36 -0.19 -0.76 0.00 0.00 0.00 175.10 174.51 3d29 s LEU 48 N -0.14 1.93 -0.10 3.92 1.43 0.84 -1.40 118.68 125.16 3d29 s LEU 48 Ca 0.01 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3d29 s LEU 48 Cb -0.08 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 45.05 3d29 s LEU 48 CO 0.01 0.14 0.23 0.00 0.23 0.00 0.00 176.35 176.95 3d29 s ALA 49 N 0.25 -0.50 0.07 4.21 0.00 -0.44 -0.71 121.76 124.64 3d29 s ALA 49 Ca -0.11 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.81 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 -0.10 0.00 0.00 0.00 0.00 175.76 175.52 3d29 s ALA 50 N 1.23 0.88 -0.24 0.00 0.00 -0.72 0.79 121.76 123.69 3d29 s ALA 50 Ca -0.09 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 3d29 s ALA 50 Cb -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3d29 s ALA 50 CO -0.08 -0.01 0.19 -2.00 0.00 0.00 0.00 175.76 173.87 3d29 s GLU 51 N -2.14 4.08 -0.15 0.00 2.12 0.11 -2.02 118.70 120.69 3d29 s GLU 51 Ca -0.02 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 3d29 s GLU 51 Cb -0.07 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 3d29 s GLU 51 CO 0.00 0.03 1.57 1.03 -0.54 0.00 0.00 175.26 177.36 3d29 s ARG 52 N 1.13 4.00 0.21 4.30 0.52 0.90 -4.16 118.95 125.86 3d29 s ARG 52 Ca 0.09 1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 56.86 3d29 s ARG 52 Cb -0.14 -3.97 -0.08 0.00 0.52 0.00 0.00 34.95 31.27 3d29 s ARG 52 CO 0.05 -1.04 0.91 0.21 0.02 0.00 0.00 175.30 175.45 3d29 s LYS 53 N 4.26 4.78 0.05 3.54 2.20 -1.26 -4.68 119.74 128.63 3d29 s LYS 53 Ca 0.69 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 3d29 s LYS 53 Cb -0.27 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3d29 s LYS 53 CO 0.27 0.49 0.00 0.28 -0.36 0.00 0.00 175.35 176.03 3d29 n VAL 54 N 1.68 -8.43 -4.14 4.02 0.31 -1.26 -5.03 118.33 105.47 3d29 n VAL 54 Ca -0.02 2.05 -0.10 0.00 -0.01 0.00 0.00 64.34 66.25 3d29 n VAL 54 Cb 0.48 -4.12 -0.10 0.00 -0.91 0.00 0.00 33.84 29.19 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 -0.36 0.07 0.25 2.52 -4.23 -1.26 -5.15 115.64 107.48 3d29 s THR 55 Ca 0.00 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 58.54 3d29 s THR 55 Cb 0.00 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 3d29 s THR 55 CO 0.00 -0.30 0.43 -0.55 -0.54 0.00 0.00 174.62 173.66 3d29 s SER 56 N -3.07 0.01 0.18 3.99 0.15 -1.26 -5.02 113.70 108.69 3d29 s SER 56 Ca 0.28 -1.04 -0.09 0.00 0.70 0.00 0.00 55.95 55.80 3d29 s SER 56 Cb 0.07 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 65.02 3d29 s SER 56 CO 0.05 -1.12 1.65 0.74 1.20 0.00 0.00 173.24 175.76 3d29 h THR 57 N 2.29 1.27 0.00 6.45 2.02 -2.02 -3.05 112.91 119.87 3d29 h THR 57 Ca -0.28 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 65.76 3d29 h THR 57 Cb 1.25 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3d29 h THR 57 CO 0.38 0.42 0.00 -0.07 0.37 0.00 0.00 175.52 176.62 3d29 h LEU 58 N 1.00 0.00 -9.52 2.58 4.07 -2.06 -3.46 115.31 107.92 3d29 h LEU 58 Ca 0.18 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.61 3d29 h LEU 58 Cb 0.54 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.32 3d29 h LEU 58 CO 0.03 0.00 1.09 -0.22 -1.08 0.00 0.00 178.44 178.26 3d29 s LEU 59 N -5.05 4.39 -0.68 1.67 2.96 -1.15 -4.90 118.68 115.92 3d29 s LEU 59 Ca 0.08 2.75 -0.27 0.00 -0.22 0.00 0.00 54.13 56.47 3d29 s LEU 59 Cb 0.10 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.24 3d29 s LEU 59 CO 0.58 -0.99 1.34 -0.70 -1.32 0.00 0.00 176.35 175.26 3d29 s GLU 60 N 2.56 3.20 0.16 1.98 2.56 -1.26 -4.88 118.70 123.02 3d29 s GLU 60 Ca 0.80 -0.00 0.05 0.00 0.00 0.00 0.00 54.97 55.81 3d29 s GLU 60 Cb -0.46 -4.17 -0.05 0.00 2.00 0.00 0.00 34.13 31.45 3d29 s GLU 60 CO 0.36 -2.11 1.36 0.37 -0.56 0.00 0.00 175.26 174.68 3d29 h GLN 61 N 10.53 0.08 -0.56 4.30 4.15 -1.94 -3.12 115.11 128.54 3d29 h GLN 61 Ca -0.27 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.07 3d29 h GLN 61 Cb 1.07 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 3d29 h GLN 61 CO 1.25 0.93 0.37 -0.44 -1.93 0.00 0.00 178.83 179.01 3d29 h ASP 62 N 0.04 0.57 -0.02 -0.69 5.19 -2.02 -2.03 116.42 117.46 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 1.58 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.96 3d29 h ASP 62 CO 0.13 0.40 -0.05 0.41 -3.12 0.00 0.00 179.24 177.00 3d29 n THR 63 N -4.47 0.00 -3.44 0.35 -1.04 -1.24 -4.98 114.28 99.46 3d29 n THR 63 Ca 0.06 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.33 3d29 n THR 63 Cb 0.12 1.20 -0.05 0.00 -1.82 0.00 0.00 70.33 69.78 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 -2.06 6.68 -0.29 8.00 0.15 -0.77 -5.07 113.70 120.34 3d29 s SER 63 Ca 0.29 0.92 -0.05 0.00 0.70 0.00 0.00 55.95 57.81 3d29 s SER 63 Cb 0.20 -2.23 0.16 0.00 -1.71 0.00 0.00 66.02 62.44 3d29 s SER 63 CO 0.34 0.03 0.61 -0.89 1.20 0.00 0.00 173.24 174.53 3d29 s THR 64 N -1.63 -0.97 0.00 6.45 2.01 -1.26 -5.00 115.64 115.24 3d29 s THR 64 Ca 0.42 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3d29 s THR 64 Cb -0.13 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3d29 s THR 64 CO 0.20 -0.00 0.30 -1.84 -0.69 0.00 0.00 174.62 172.59 3d29 n GLU 65 N 5.43 0.08 0.00 4.92 0.28 -1.26 -4.90 120.64 125.19 3d29 n GLU 65 Ca -0.06 -0.35 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 3d29 n GLU 65 Cb 0.50 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.73 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 -0.05 1.75 -3.95 3.44 5.02 -1.26 -4.82 118.16 118.30 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 0.26 -0.44 -0.14 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.67 3.09 -0.02 -0.35 1.02 -1.26 -0.10 118.68 120.39 3d29 s LEU 67 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 54.13 53.46 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 -0.10 -0.19 -0.31 0.02 0.00 0.00 176.35 175.77 3d29 s TYR 68 N 1.37 1.74 -0.05 0.29 2.02 -0.70 -4.98 117.35 117.04 3d29 s TYR 68 Ca 0.02 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 3d29 s TYR 68 Cb -0.16 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3d29 s TYR 68 CO -0.04 -0.07 0.76 0.21 -1.57 0.00 0.00 175.55 174.84 3d29 s LYS 69 N -0.34 4.47 -0.18 -0.62 2.20 -1.26 -1.38 119.74 122.63 3d29 s LYS 69 Ca 0.05 1.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 3d29 s LYS 69 Cb -0.08 -3.45 -0.13 0.00 -1.51 0.00 0.00 37.83 32.66 3d29 s LYS 69 CO 0.00 0.05 -0.14 1.28 -0.36 0.00 0.00 175.35 176.19 3d29 n LEU 70 N 3.75 2.53 0.00 5.43 4.77 -0.72 -4.97 117.00 127.79 3d29 n LEU 70 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3d29 n LEU 70 Cb 0.51 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3d29 n LEU 70 CO 0.48 0.75 0.00 -3.20 -1.33 0.00 0.00 177.39 174.09 3d29 n ASN 71 N -2.98 0.00 0.07 -1.43 4.05 -0.80 -4.61 115.26 109.57 3d29 n ASN 71 Ca -0.32 -0.95 0.12 0.00 0.45 0.00 0.00 54.58 53.88 3d29 n ASN 71 Cb 0.88 0.00 0.14 0.00 1.23 0.00 0.00 39.78 42.03 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 -2.00 -3.35 116.42 115.58 3d29 h ASP 72 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 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 0.09 0.00 0.29 -1.72 0.00 0.00 179.24 177.90 3d29 n LYS 73 N -2.22 -0.68 -4.28 3.56 5.02 -1.26 -4.40 118.16 113.91 3d29 n LYS 73 Ca 0.03 -0.62 -0.18 0.00 -2.02 0.00 0.00 58.31 55.52 3d29 n LYS 73 Cb 0.46 -1.03 -0.14 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.15 0.75 0.16 -0.18 1.01 -1.26 -1.74 121.20 119.79 3d29 s ILE 74 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 3d29 s ILE 74 Cb 0.01 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3d29 s ILE 74 CO 0.02 0.03 0.28 0.00 0.00 0.00 0.00 174.94 175.27 3d29 s ALA 75 N -0.59 -0.02 0.05 9.38 0.00 -0.38 -1.76 121.76 128.45 3d29 s ALA 75 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3d29 s ALA 75 Cb -0.06 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3d29 s ALA 75 CO 0.00 -0.64 -0.05 0.14 0.00 0.00 0.00 175.76 175.21 3d29 s VAL 76 N -3.96 0.39 -0.07 0.00 -7.23 -0.48 -1.19 120.40 107.87 3d29 s VAL 76 Ca 0.16 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 3d29 s VAL 76 Cb 0.03 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 3d29 s VAL 76 CO -0.01 -0.64 -0.15 0.00 -0.31 0.00 0.00 175.10 173.99 3d29 s ALA 77 N -2.38 2.59 0.00 1.32 0.00 -0.32 -1.72 121.76 121.26 3d29 s ALA 77 Ca -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3d29 s ALA 77 Cb -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3d29 s ALA 77 CO -0.03 0.47 -0.09 0.08 0.00 0.00 0.00 175.76 176.19 3d29 s VAL 78 N -0.42 3.49 -0.16 0.00 1.01 0.86 -1.58 120.40 123.60 3d29 s VAL 78 Ca 0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3d29 s VAL 78 Cb -0.12 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3d29 s VAL 78 CO 0.02 0.41 0.08 0.00 0.00 0.00 0.00 175.10 175.60 3d29 s ALA 79 N -0.96 0.48 0.00 5.51 0.00 -0.73 -4.80 121.76 121.27 3d29 s ALA 79 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3d29 s ALA 79 Cb -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3d29 s ALA 79 CO 0.06 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.16 3d29 n GLY 80 N 5.25 0.64 3.63 0.00 0.00 -1.26 -1.45 105.19 111.99 3d29 n GLY 80 Ca -0.07 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 3.87 0.22 0.99 2.01 0.43 -4.90 118.68 121.31 3d29 s LEU 81 Ca 0.00 1.56 -0.09 0.00 0.01 0.00 0.00 54.13 55.61 3d29 s LEU 81 Cb 0.00 -3.53 0.20 0.00 0.01 0.00 0.00 46.19 42.87 3d29 s LEU 81 CO 0.00 -1.26 1.87 0.74 1.01 0.00 0.00 176.35 178.71 3d29 h THR 82 N 6.16 1.14 -0.50 5.49 2.02 -1.91 -1.37 112.91 123.94 3d29 h THR 82 Ca -0.33 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3d29 h THR 82 Cb 1.15 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3d29 h THR 82 CO 1.01 0.18 0.32 0.00 0.37 0.00 0.00 175.52 177.40 3d29 h ALA 83 N 1.31 0.64 -0.77 6.16 0.00 -1.99 -0.86 119.26 123.75 3d29 h ALA 83 Ca 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3d29 h ALA 83 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3d29 h ALA 83 CO -0.09 0.10 0.40 -0.44 0.00 0.00 0.00 179.25 179.22 3d29 h ASP 84 N 0.68 0.97 -0.30 0.00 3.45 -1.82 -2.85 116.42 116.55 3d29 h ASP 84 Ca 0.18 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 3d29 h ASP 84 Cb -0.05 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.46 3d29 h ASP 84 CO -0.04 0.80 0.07 0.00 -1.57 0.00 0.00 179.24 178.50 3d29 h ALA 85 N 1.36 0.39 -0.86 3.45 0.00 -0.65 -2.86 119.26 120.08 3d29 h ALA 85 Ca 0.27 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3d29 h ALA 85 Cb 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3d29 h ALA 85 CO -0.04 0.06 0.56 0.93 0.00 0.00 0.00 179.25 180.76 3d29 h GLU 86 N 0.31 0.82 0.13 0.00 5.08 -0.96 0.47 114.58 120.43 3d29 h GLU 86 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3d29 h GLU 86 Cb 0.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3d29 h GLU 86 CO 0.00 0.54 -0.12 0.82 -1.00 0.00 0.00 179.01 179.26 3d29 h ILE 87 N 0.85 0.73 -0.47 3.13 1.08 -1.30 -1.42 117.51 120.11 3d29 h ILE 87 Ca 0.40 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.83 3d29 h ILE 87 Cb 0.41 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3d29 h ILE 87 CO -0.16 0.00 0.14 -0.07 -0.69 0.00 0.00 178.15 177.37 3d29 h LEU 88 N -0.27 0.68 -0.05 1.44 3.38 -1.04 -2.98 115.31 116.47 3d29 h LEU 88 Ca 0.00 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 88 Cb 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3d29 h LEU 88 CO -0.03 0.71 -0.34 0.40 0.09 0.00 0.00 178.44 179.27 3d29 h ILE 89 N 0.62 0.26 -0.82 1.22 2.04 0.03 -0.20 117.51 120.66 3d29 h ILE 89 Ca 0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 3d29 h ILE 89 Cb 0.27 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3d29 h ILE 89 CO -0.00 0.00 0.53 -1.13 0.00 0.00 0.00 178.15 177.55 3d29 h ASN 90 N -0.47 0.74 0.64 1.72 -1.24 -1.23 0.58 115.58 116.32 3d29 h ASN 90 Ca 0.07 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.96 3d29 h ASN 90 Cb 0.58 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 3d29 h ASN 90 CO -0.31 0.46 -0.64 0.71 -1.29 0.00 0.00 177.43 176.35 3d29 h THR 91 N 0.83 1.46 -0.52 -3.57 1.35 -1.21 -2.42 112.91 108.82 3d29 h THR 91 Ca 0.37 -2.19 -0.12 0.00 -0.55 0.00 0.00 66.41 63.91 3d29 h THR 91 Cb 0.34 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 3d29 h THR 91 CO -0.14 0.63 -0.14 0.00 -0.25 0.00 0.00 175.52 175.62 3d29 h ALA 92 N 1.36 0.72 -0.74 6.62 0.00 0.78 -0.12 119.26 127.88 3d29 h ALA 92 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3d29 h ALA 92 Cb 1.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3d29 h ALA 92 CO 0.08 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.39 3d29 h ARG 93 N 0.89 1.05 -0.43 0.00 3.08 -0.77 -1.63 114.38 116.57 3d29 h ARG 93 Ca 0.13 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3d29 h ARG 93 Cb 0.71 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3d29 h ARG 93 CO 0.05 0.79 0.03 0.82 -1.07 0.00 0.00 179.97 180.60 3d29 h ILE 94 N 1.03 1.25 -0.68 2.04 2.04 -1.24 -2.72 117.51 119.24 3d29 h ILE 94 Ca 0.26 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.22 3d29 h ILE 94 Cb 0.06 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3d29 h ILE 94 CO -0.04 0.33 0.37 -0.74 0.00 0.00 0.00 178.15 178.07 3d29 h HIS 95 N 0.59 0.67 -0.66 1.37 2.76 -0.56 0.42 115.15 119.74 3d29 h HIS 95 Ca 0.13 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 3d29 h HIS 95 Cb 0.44 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 3d29 h HIS 95 CO 0.03 0.30 0.27 0.00 -1.30 0.00 0.00 177.93 177.24 3d29 h ALA 96 N 1.37 0.85 -0.14 5.26 0.00 -1.19 -1.29 119.26 124.11 3d29 h ALA 96 Ca 0.31 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3d29 h ALA 96 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d29 h ALA 96 CO -0.20 0.46 -0.40 1.96 0.00 0.00 0.00 179.25 181.06 3d29 h GLN 97 N 0.92 0.32 -0.53 0.00 1.08 -1.09 -1.89 115.11 113.93 3d29 h GLN 97 Ca 0.22 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 3d29 h GLN 97 Cb 0.19 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3d29 h GLN 97 CO -0.02 0.68 0.02 -0.91 -0.95 0.00 0.00 178.83 177.65 3d29 h ASN 98 N 0.27 0.90 -0.18 1.46 2.35 -0.48 0.80 115.58 120.70 3d29 h ASN 98 Ca 0.02 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3d29 h ASN 98 Cb 0.83 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3d29 h ASN 98 CO 0.07 0.97 0.11 0.22 -1.65 0.00 0.00 177.43 177.15 3d29 h TYR 99 N 0.80 0.23 -0.23 1.19 3.20 -1.05 -0.36 116.97 120.75 3d29 h TYR 99 Ca 0.15 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3d29 h TYR 99 Cb 0.50 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3d29 h TYR 99 CO 0.04 0.18 0.12 1.25 -1.64 0.00 0.00 178.16 178.11 3d29 h LEU 100 N 0.21 0.19 -1.04 2.82 5.85 -1.15 0.05 115.31 122.24 3d29 h LEU 100 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3d29 h LEU 100 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3d29 h LEU 100 CO -0.01 0.14 0.57 0.50 -0.34 0.00 0.00 178.44 179.30 3d29 h LYS 101 N 0.26 1.23 -0.09 1.25 3.64 -0.57 0.50 116.57 122.77 3d29 h LYS 101 Ca 0.09 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3d29 h LYS 101 Cb 0.01 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3d29 h LYS 101 CO -0.05 0.84 -0.37 1.15 -2.27 0.00 0.00 179.45 178.75 3d29 h THR 102 N 1.25 1.39 -0.01 1.00 2.02 -0.60 -3.38 112.91 114.60 3d29 h THR 102 Ca 0.33 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3d29 h THR 102 Cb -0.09 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3d29 h THR 102 CO -0.07 0.50 -0.46 -1.22 0.37 0.00 0.00 175.52 174.65 3d29 n TYR 103 N -4.36 0.00 -3.31 3.16 4.01 -0.04 -4.99 117.16 111.63 3d29 n TYR 103 Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 3d29 n TYR 103 Cb 0.52 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.72 -6.19 -3.77 7.72 3.02 0.17 -4.99 115.26 110.50 3d29 n ASN 104 Ca 0.04 -0.42 -0.13 0.00 -0.03 0.00 0.00 54.58 54.05 3d29 n ASN 104 Cb 0.26 -4.94 -0.11 0.00 -0.61 0.00 0.00 39.78 34.38 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 -6.01 0.41 0.57 3.52 2.02 -1.25 -5.07 118.70 112.88 3d29 s GLU 105 Ca 0.44 0.30 -0.21 0.00 0.02 0.00 0.00 54.97 55.52 3d29 s GLU 105 Cb -0.20 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 3d29 s GLU 105 CO 0.55 -0.07 1.33 -0.25 0.02 0.00 0.00 175.26 176.84 3d29 n ASP 106 N 2.61 2.47 -4.71 -0.19 8.00 -1.26 -3.82 116.55 119.66 3d29 n ASP 106 Ca -0.15 0.94 -0.42 0.00 0.71 0.00 0.00 54.79 55.88 3d29 n ASP 106 Cb 0.58 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3d29 n ASP 106 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3d29 s ILE 107 N -1.31 3.64 0.30 0.53 2.07 -1.26 -4.95 121.20 120.21 3d29 s ILE 107 Ca 0.74 1.14 -0.30 0.00 -1.41 0.00 0.00 60.65 60.81 3d29 s ILE 107 Cb -0.41 -3.73 -0.11 0.00 0.13 0.00 0.00 42.46 38.34 3d29 s ILE 107 CO 0.47 0.06 1.61 -2.84 -1.91 0.00 0.00 174.94 172.33 3d29 s PRO 108 N 1.49 4.10 0.23 3.50 0.02 -1.26 -4.88 135.00 138.20 3d29 s PRO 108 Ca 0.63 2.61 -0.09 0.00 0.02 0.00 0.00 61.00 64.16 3d29 s PRO 108 Cb -0.33 -3.01 0.36 0.00 0.02 0.00 0.00 34.50 31.54 3d29 s PRO 108 CO 0.29 -0.65 1.65 0.28 -0.33 0.00 0.00 177.00 178.23 3d29 h VAL 109 N 3.36 0.41 -0.71 3.83 2.07 -1.93 -1.74 116.25 121.54 3d29 h VAL 109 Ca -0.47 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3d29 h VAL 109 Cb 1.22 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3d29 h VAL 109 CO 0.79 0.02 0.35 -0.08 0.02 0.00 0.00 177.57 178.67 3d29 h GLU 110 N 0.11 1.00 -0.83 1.57 4.81 -1.99 -2.22 114.58 117.03 3d29 h GLU 110 Ca 0.37 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3d29 h GLU 110 Cb 0.62 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3d29 h GLU 110 CO -0.60 0.77 0.54 0.82 -0.73 0.00 0.00 179.01 179.81 3d29 h ILE 111 N 1.00 1.17 -0.52 2.32 2.04 -1.69 0.20 117.51 122.03 3d29 h ILE 111 Ca 0.25 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3d29 h ILE 111 Cb 0.09 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 3d29 h ILE 111 CO -0.03 0.20 -0.05 0.25 0.00 0.00 0.00 178.15 178.51 3d29 h LEU 112 N 1.08 0.94 -0.72 1.44 6.46 -1.29 -2.71 115.31 120.52 3d29 h LEU 112 Ca 0.32 -0.33 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 3d29 h LEU 112 Cb -0.05 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 3d29 h LEU 112 CO -0.09 1.05 -0.17 0.58 -0.62 0.00 0.00 178.44 179.18 3d29 h VAL 113 N 0.82 1.27 -0.49 1.05 2.07 -0.78 -2.76 116.25 117.42 3d29 h VAL 113 Ca 0.14 -1.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 3d29 h VAL 113 Cb 0.59 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3d29 h VAL 113 CO 0.04 0.43 -0.15 -0.09 0.02 0.00 0.00 177.57 177.82 3d29 h ARG 114 N 0.71 0.95 0.00 1.57 2.43 -0.53 -1.67 114.38 117.84 3d29 h ARG 114 Ca 0.11 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3d29 h ARG 114 Cb 0.68 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3d29 h ARG 114 CO 0.05 1.03 -0.00 -0.09 -1.51 0.00 0.00 179.97 179.44 3d29 h ARG 115 N 0.84 -0.00 -0.63 0.20 9.65 -1.42 0.18 114.38 123.18 3d29 h ARG 115 Ca 0.12 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3d29 h ARG 115 Cb 0.70 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 3d29 h ARG 115 CO 0.05 0.18 0.42 -0.07 2.80 0.00 0.00 179.97 183.36 3d29 h LEU 116 N -0.19 0.70 -0.62 3.80 3.38 -1.45 -1.02 115.31 119.91 3d29 h LEU 116 Ca -0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3d29 h LEU 116 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3d29 h LEU 116 CO 0.00 0.50 -0.49 0.28 0.09 0.00 0.00 178.44 178.82 3d29 h SER 117 N 0.83 0.54 -0.39 -0.43 0.02 -1.01 -2.82 113.55 110.28 3d29 h SER 117 Ca 0.24 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3d29 h SER 117 Cb -0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3d29 h SER 117 CO -0.06 0.94 0.04 0.44 -1.14 0.00 0.00 176.83 177.06 3d29 h ASP 118 N 0.39 0.71 -0.28 3.07 3.45 0.28 -0.19 116.42 123.85 3d29 h ASP 118 Ca 0.02 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 3d29 h ASP 118 Cb 1.01 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3d29 h ASP 118 CO 0.09 0.76 0.10 0.40 -1.57 0.00 0.00 179.24 179.01 3d29 h ILE 119 N 0.71 1.19 -0.36 0.35 2.04 -1.10 -1.67 117.51 118.67 3d29 h ILE 119 Ca 0.15 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3d29 h ILE 119 Cb 0.38 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3d29 h ILE 119 CO 0.01 0.20 0.21 0.11 0.00 0.00 0.00 178.15 178.68 3d29 h LYS 120 N 0.29 0.50 -0.95 2.37 1.57 -1.24 -2.52 116.57 116.60 3d29 h LYS 120 Ca 0.09 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 3d29 h LYS 120 Cb 0.22 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 3d29 h LYS 120 CO -0.00 0.40 0.57 0.37 -0.57 0.00 0.00 179.45 180.21 3d29 h GLN 121 N 0.47 0.80 -0.16 3.15 -0.00 -0.74 -2.37 115.11 116.26 3d29 h GLN 121 Ca 0.13 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.76 3d29 h GLN 121 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 3d29 h GLN 121 CO -0.02 0.53 -0.06 0.78 0.00 0.00 0.00 178.83 180.06 3d29 h GLY 122 N 0.82 0.09 1.43 2.39 0.00 -0.85 0.12 103.07 107.08 3d29 h GLY 122 Ca 0.50 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3d29 h GLY 122 CO -0.32 -0.08 0.00 -1.72 0.00 0.00 0.00 176.54 174.42 3d29 n TYR 123 N -5.20 0.00 -0.02 5.60 4.02 -0.90 -0.72 117.16 119.95 3d29 n TYR 123 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.92 3d29 n TYR 123 Cb 0.12 -0.22 -0.15 0.00 -0.02 0.00 0.00 39.34 39.08 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 -1.22 0.44 0.23 -0.72 -1.04 0.01 -4.55 114.28 107.43 3d29 n THR 124 Ca 0.01 -0.59 0.04 0.00 -2.04 0.00 0.00 64.05 61.46 3d29 n THR 124 Cb 0.01 -0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 68.29 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 -2.45 3.09 -3.49 -2.82 7.27 0.10 -4.71 117.38 114.38 3d29 n GLN 125 Ca -0.10 -0.02 -0.11 0.00 0.07 0.00 0.00 57.00 56.84 3d29 n GLN 125 Cb 0.71 -0.96 -0.03 0.00 2.41 0.00 0.00 30.24 32.37 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 -1.98 -0.44 0.00 3.69 -3.43 -0.81 -4.99 115.29 107.33 3d29 s HIS 126 Ca 0.01 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 3d29 s HIS 126 Cb 0.05 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 3d29 s HIS 126 CO 0.31 -0.62 0.00 0.41 -2.00 0.00 0.00 174.74 172.84 3d29 n GLY 127 N -0.08 2.00 2.54 -1.38 0.00 -1.26 -4.44 105.19 102.56 3d29 n GLY 127 Ca -0.12 0.00 -0.21 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 -1.41 1.39 3.82 -0.02 0.00 -1.26 -4.98 105.19 102.73 3d29 n GLY 128 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.02 3.86 0.69 0.99 1.43 -1.26 -4.67 118.68 114.69 3d29 s LEU 129 Ca 0.00 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 3d29 s LEU 129 Cb 0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3d29 s LEU 129 CO 0.00 0.04 1.10 0.00 0.23 0.00 0.00 176.35 177.72 3d29 s ARG 130 N -3.28 2.66 0.76 1.70 1.70 -1.26 -4.82 118.95 116.42 3d29 s ARG 130 Ca 0.32 1.28 -0.10 0.00 -0.47 0.00 0.00 55.73 56.75 3d29 s ARG 130 Cb -0.10 -1.94 0.06 0.00 -0.57 0.00 0.00 34.95 32.41 3d29 s ARG 130 CO 0.24 -1.34 1.12 -2.14 -1.08 0.00 0.00 175.30 172.10 3d29 s PRO 131 N -4.41 2.16 0.06 3.89 0.02 -1.26 -4.99 135.00 130.47 3d29 s PRO 131 Ca 0.64 0.05 -0.30 0.00 0.02 0.00 0.00 61.00 61.42 3d29 s PRO 131 Cb -0.19 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 3d29 s PRO 131 CO 0.47 -1.41 0.99 -0.06 -0.33 0.00 0.00 177.00 176.66 3d29 s PHE 132 N -3.45 3.71 -1.38 6.54 0.40 -1.26 -4.93 117.98 117.62 3d29 s PHE 132 Ca 0.61 1.72 -0.10 0.00 -0.60 0.00 0.00 56.93 58.55 3d29 s PHE 132 Cb -0.11 -3.12 0.09 0.00 0.51 0.00 0.00 43.02 40.40 3d29 s PHE 132 CO 0.48 -0.02 2.20 0.41 0.70 0.00 0.00 175.22 178.99 3d29 n GLY 133 N 2.61 4.70 3.08 4.36 0.00 -1.26 -4.53 105.19 114.14 3d29 n GLY 133 Ca 0.04 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 1.07 0.08 -0.02 1.61 1.01 -1.26 -0.43 120.40 122.45 3d29 s VAL 134 Ca 0.48 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3d29 s VAL 134 Cb 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 3d29 s VAL 134 CO -0.05 -0.35 -0.12 -0.44 0.00 0.00 0.00 175.10 174.14 3d29 s SER 135 N -1.21 1.52 0.09 3.32 0.01 -0.53 -2.71 113.70 114.19 3d29 s SER 135 Ca -0.13 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 56.99 3d29 s SER 135 Cb -0.07 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 3d29 s SER 135 CO 0.01 0.12 -0.27 -0.36 0.41 0.00 0.00 173.24 173.15 3d29 s PHE 136 N -0.03 2.31 -0.19 2.43 2.99 0.85 -1.77 117.98 124.56 3d29 s PHE 136 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 56.93 56.53 3d29 s PHE 136 Cb -0.08 -1.31 0.01 0.00 0.00 0.00 0.00 43.02 41.64 3d29 s PHE 136 CO 0.00 0.24 -0.15 0.42 -0.00 0.00 0.00 175.22 175.74 3d29 s ILE 137 N -0.95 2.51 -0.20 0.64 1.01 -0.62 -1.39 121.20 122.21 3d29 s ILE 137 Ca 0.13 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 3d29 s ILE 137 Cb -0.10 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3d29 s ILE 137 CO 0.04 0.50 0.10 -0.31 0.00 0.00 0.00 174.94 175.27 3d29 s TYR 138 N 1.35 3.32 -0.20 3.97 1.51 0.15 -1.18 117.35 126.27 3d29 s TYR 138 Ca 0.05 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 3d29 s TYR 138 Cb -0.13 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3d29 s TYR 138 CO -0.10 0.19 -0.15 0.00 -1.11 0.00 0.00 175.55 174.39 3d29 s ALA 139 N 0.47 2.25 0.23 3.71 0.00 -0.33 -0.86 121.76 127.23 3d29 s ALA 139 Ca 0.06 -1.31 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 3d29 s ALA 139 Cb -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.72 3d29 s ALA 139 CO -0.00 -0.68 0.52 0.20 0.00 0.00 0.00 175.76 175.79 3d29 s GLY 140 N 1.29 0.27 -0.01 0.00 0.00 -0.88 -1.25 107.32 106.75 3d29 s GLY 140 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3d29 s GLY 140 CO -0.10 -0.46 -0.04 -0.47 0.00 0.00 0.00 173.10 172.04 3d29 s TYR 141 N -3.96 0.45 0.16 1.90 6.14 -0.71 -0.62 117.35 120.70 3d29 s TYR 141 Ca 0.17 -0.08 -0.06 0.00 0.64 0.00 0.00 57.07 57.74 3d29 s TYR 141 Cb -0.01 -0.35 -0.02 0.00 0.42 0.00 0.00 41.96 42.00 3d29 s TYR 141 CO 0.05 -0.05 0.21 0.16 0.64 0.00 0.00 175.55 176.56 3d29 s ASP 142 N 0.22 0.13 0.00 4.32 1.47 -1.08 -4.85 116.67 116.88 3d29 s ASP 142 Ca -0.02 -1.02 0.24 0.00 1.18 0.00 0.00 52.55 52.92 3d29 s ASP 142 Cb -0.06 0.39 1.21 0.00 -0.34 0.00 0.00 42.92 44.12 3d29 s ASP 142 CO -0.00 -0.85 1.78 -0.90 0.68 0.00 0.00 175.17 175.88 3d29 n ASP 143 N -0.19 0.00 -0.04 2.11 5.75 -1.26 -0.87 116.55 122.05 3d29 n ASP 143 Ca -0.06 -0.09 -0.04 0.00 -0.01 0.00 0.00 54.79 54.59 3d29 n ASP 143 Cb 0.63 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.27 0.66 0.00 0.11 0.63 -1.26 -4.60 116.66 110.93 3d29 n ARG 144 Ca 0.12 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 3d29 n ARG 144 Cb 0.18 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.46 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 -2.75 0.00 -4.94 -0.14 4.01 -1.23 -5.12 117.16 106.98 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 2.88 3.72 2.72 0.00 -0.05 -4.60 105.19 109.77 3d29 n GLY 145 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 3.31 0.05 1.61 2.02 -1.26 -2.64 117.35 120.44 3d29 s TYR 146 Ca 0.00 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.83 3d29 s TYR 146 Cb 0.00 -3.58 -0.02 0.00 -0.40 0.00 0.00 41.96 37.95 3d29 s TYR 146 CO 0.00 -1.95 -0.09 -0.65 -1.57 0.00 0.00 175.55 171.29 3d29 s GLN 147 N 0.91 0.59 -0.09 -0.62 -0.21 0.21 -5.00 119.66 115.44 3d29 s GLN 147 Ca 0.61 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 55.22 3d29 s GLN 147 Cb -0.34 -0.41 0.03 0.00 1.00 0.00 0.00 33.01 33.28 3d29 s GLN 147 CO 0.31 0.08 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.36 3d29 s LEU 148 N -1.54 0.86 0.32 2.90 2.96 -1.26 -2.06 118.68 120.86 3d29 s LEU 148 Ca -0.08 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 3d29 s LEU 148 Cb -0.10 -0.61 -0.06 0.00 0.50 0.00 0.00 46.19 45.92 3d29 s LEU 148 CO 0.01 -0.16 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.54 3d29 s TYR 149 N 1.83 2.10 -0.09 5.38 2.02 -0.04 -0.63 117.35 127.92 3d29 s TYR 149 Ca 0.04 -0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 55.96 3d29 s TYR 149 Cb -0.12 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 3d29 s TYR 149 CO -0.06 0.29 0.23 -0.08 -1.57 0.00 0.00 175.55 174.36 3d29 s THR 150 N -2.97 -0.02 0.03 -0.71 -1.32 -0.47 0.31 115.64 110.48 3d29 s THR 150 Ca 0.32 0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.89 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 0.14 0.03 -0.09 -0.94 -2.21 0.00 0.00 174.62 171.55 3d29 s SER 151 N 0.59 1.03 0.39 8.08 1.04 -0.49 -1.95 113.70 122.39 3d29 s SER 151 Ca -0.04 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3d29 s SER 151 Cb -0.05 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 3d29 s SER 151 CO -0.03 -0.04 0.11 0.54 0.98 0.00 0.00 173.24 174.79 3d29 s ASN 152 N -0.97 2.71 0.52 7.02 2.20 -1.20 -0.10 114.94 125.11 3d29 s ASN 152 Ca -0.03 -1.60 0.38 0.00 -0.94 0.00 0.00 52.86 50.68 3d29 s ASN 152 Cb -0.07 0.37 1.55 0.00 -2.00 0.00 0.00 41.25 41.11 3d29 s ASN 152 CO 0.00 -0.85 1.71 -0.65 -2.94 0.00 0.00 177.10 174.37 3d29 h PRO 153 N 1.86 0.04 -0.01 3.55 0.11 -1.75 -0.98 132.00 134.82 3d29 h PRO 153 Ca -0.37 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 3d29 h PRO 153 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3d29 h PRO 153 CO 0.60 0.03 -0.30 0.66 -0.21 0.00 0.00 178.00 178.79 3d29 h SER 154 N 0.05 0.02 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.89 3d29 h SER 154 Ca 0.71 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3d29 h SER 154 Cb 2.69 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.77 3d29 h SER 154 CO -0.09 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3d29 n GLY 155 N -0.66 1.06 3.89 -0.77 0.00 -0.37 -4.00 105.19 104.34 3d29 n GLY 155 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.02 6.49 0.03 1.61 3.04 -1.26 -4.54 114.94 118.29 3d29 s ASN 156 Ca 0.00 0.56 -0.02 0.00 0.04 0.00 0.00 52.86 53.45 3d29 s ASN 156 Cb 0.00 -2.08 -0.02 0.00 -1.54 0.00 0.00 41.25 37.60 3d29 s ASN 156 CO 0.00 0.12 0.00 -0.72 -3.04 0.00 0.00 177.10 173.47 3d29 s TYR 157 N -1.53 0.31 0.08 0.43 -0.85 -1.26 -3.21 117.35 111.32 3d29 s TYR 157 Ca 0.36 -0.65 -0.13 0.00 -0.52 0.00 0.00 57.07 56.13 3d29 s TYR 157 Cb -0.13 -0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.00 3d29 s TYR 157 CO 0.23 -0.28 0.30 0.95 -1.52 0.00 0.00 175.55 175.23 3d29 s THR 158 N -2.34 0.09 0.15 -3.49 -4.23 -0.82 -4.97 115.64 100.03 3d29 s THR 158 Ca -0.08 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 3d29 s THR 158 Cb -0.03 -1.11 -0.06 0.00 1.34 0.00 0.00 72.50 72.64 3d29 s THR 158 CO -0.04 -0.43 0.40 -0.83 -0.54 0.00 0.00 174.62 173.18 3d29 s GLY 159 N -2.47 2.24 0.09 3.99 0.00 -1.26 -1.37 107.32 108.54 3d29 s GLY 159 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3d29 s GLY 159 CO -0.08 -0.43 -0.01 -0.98 0.00 0.00 0.00 173.10 171.60 3d29 s TRP 160 N -1.67 0.73 -0.14 1.90 0.52 0.19 -4.98 118.94 115.49 3d29 s TRP 160 Ca 0.42 -1.08 0.02 0.00 0.02 0.00 0.00 56.10 55.48 3d29 s TRP 160 Cb -0.12 -0.46 -0.23 0.00 -1.15 0.00 0.00 33.47 31.50 3d29 s TRP 160 CO 0.24 -0.36 0.29 1.63 0.02 0.00 0.00 176.95 178.77 3d29 n LYS 161 N 0.00 0.70 -3.65 4.98 5.02 -1.26 -4.25 118.16 119.70 3d29 n LYS 161 Ca -0.11 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 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 -1.47 0.05 7.82 0.00 -1.26 -0.46 121.76 123.89 3d29 s ALA 162 Ca -0.19 1.53 -0.27 0.00 0.00 0.00 0.00 51.96 53.02 3d29 s ALA 162 Cb 0.07 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.53 3d29 s ALA 162 CO 0.76 -0.29 0.90 -1.50 0.00 0.00 0.00 175.76 175.63 3d29 s ILE 163 N -0.04 0.00 0.06 0.00 2.07 0.64 -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 0.02 0.00 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.07 3d29 s SER 164 N -2.64 0.76 0.04 4.50 1.04 -1.26 0.13 113.70 116.26 3d29 s SER 164 Ca 0.07 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 3d29 s SER 164 Cb -0.01 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3d29 s SER 164 CO -0.06 -0.47 -0.03 0.68 0.98 0.00 0.00 173.24 174.35 3d29 s VAL 165 N -3.25 0.17 0.00 5.02 -7.23 0.01 -4.97 120.40 110.15 3d29 s VAL 165 Ca 0.04 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 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 -0.77 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 3d29 n GLY 166 N 0.79 0.64 3.87 2.32 0.00 -1.26 -1.02 105.19 110.53 3d29 n GLY 166 Ca -0.19 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 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 3.34 -1.50 4.61 0.00 -0.07 -4.20 121.76 121.93 3d29 s ALA 167 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 3d29 s ALA 167 Cb 0.00 -2.72 0.09 0.00 0.00 0.00 0.00 23.12 20.48 3d29 s ALA 167 CO 0.00 0.06 0.81 0.09 0.00 0.00 0.00 175.76 176.71 3d29 n ASN 168 N -1.11 -4.47 -0.02 0.00 3.02 -1.26 -4.57 115.26 106.85 3d29 n ASN 168 Ca 0.03 -0.67 -0.07 0.00 -0.03 0.00 0.00 54.58 53.83 3d29 n ASN 168 Cb 0.54 -3.61 0.11 0.00 -0.61 0.00 0.00 39.78 36.21 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 -1.67 1.29 0.18 3.41 1.35 -1.92 -1.58 112.91 113.96 3d29 h THR 169 Ca -0.54 -1.51 -0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3d29 h THR 169 Cb 1.35 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 3d29 h THR 169 CO 0.64 0.48 -0.13 -1.28 -0.25 0.00 0.00 175.52 174.98 3d29 h SER 170 N 0.49 -0.33 -0.25 5.36 0.87 -1.93 0.82 113.55 118.58 3d29 h SER 170 Ca 0.05 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3d29 h SER 170 Cb 0.86 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 3d29 h SER 170 CO 0.07 -0.21 0.14 0.00 -0.53 0.00 0.00 176.83 176.31 3d29 h ALA 171 N 0.49 0.31 -0.85 6.23 0.00 -1.95 -1.84 119.26 121.64 3d29 h ALA 171 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3d29 h ALA 171 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3d29 h ALA 171 CO -0.00 -0.25 0.44 0.00 0.00 0.00 0.00 179.25 179.44 3d29 h ALA 172 N 1.11 1.17 -0.48 0.00 0.00 -0.91 -1.81 119.26 118.34 3d29 h ALA 172 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3d29 h ALA 172 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3d29 h ALA 172 CO -0.04 0.65 0.00 0.37 0.00 0.00 0.00 179.25 180.23 3d29 h GLN 173 N 1.21 0.84 -0.48 0.00 5.75 0.86 -1.76 115.11 121.53 3d29 h GLN 173 Ca 0.30 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3d29 h GLN 173 Cb 0.07 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3d29 h GLN 173 CO -0.04 0.88 0.31 1.15 -2.65 0.00 0.00 178.83 178.47 3d29 h THR 174 N 0.69 1.13 -0.14 2.39 2.02 -1.07 0.13 112.91 118.07 3d29 h THR 174 Ca 0.14 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3d29 h THR 174 Cb 0.50 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3d29 h THR 174 CO 0.02 0.13 -0.19 -0.07 0.37 0.00 0.00 175.52 175.78 3d29 h LEU 175 N 0.64 0.22 0.05 2.58 3.38 -1.15 -2.59 115.31 118.44 3d29 h LEU 175 Ca 0.17 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3d29 h LEU 175 Cb -0.05 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3d29 h LEU 175 CO -0.04 0.44 -0.55 -0.07 0.09 0.00 0.00 178.44 178.31 3d29 h LEU 176 N 0.22 0.40 0.00 1.67 3.38 -0.86 -3.08 115.31 117.04 3d29 h LEU 176 Ca 0.04 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3d29 h LEU 176 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3d29 h LEU 176 CO 0.03 1.21 0.00 1.67 0.09 0.00 0.00 178.44 181.44 3d29 n GLN 177 N -4.28 0.24 -0.10 1.13 7.27 0.41 -1.51 117.38 120.54 3d29 n GLN 177 Ca -0.11 0.07 -0.11 0.00 0.07 0.00 0.00 57.00 56.91 3d29 n GLN 177 Cb 0.67 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.68 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 -1.10 0.83 0.00 3.69 1.56 -0.98 -4.68 117.12 116.44 3d29 n MET 178 Ca 0.06 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 3d29 n MET 178 Cb 0.05 -1.48 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 -2.84 1.76 -4.77 6.12 8.00 -0.90 -5.04 116.55 118.88 3d29 n ASP 179 Ca -0.34 -1.88 -0.39 0.00 0.71 0.00 0.00 54.79 52.89 3d29 n ASP 179 Cb 1.07 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.88 3.85 -0.05 1.24 5.04 -0.57 -5.06 117.35 120.92 3d29 s TYR 180 Ca 0.00 1.55 -0.00 0.00 -2.44 0.00 0.00 57.07 56.18 3d29 s TYR 180 Cb 0.00 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.58 3d29 s TYR 180 CO 0.00 0.46 -0.02 -1.59 -1.34 0.00 0.00 175.55 173.06 3d29 s LYS 181 N -0.83 0.61 0.52 4.97 -2.85 -1.26 -5.02 119.74 115.88 3d29 s LYS 181 Ca 0.36 0.02 0.44 0.00 -1.00 0.00 0.00 55.97 55.79 3d29 s LYS 181 Cb -0.22 -0.81 1.65 0.00 -2.06 0.00 0.00 37.83 36.40 3d29 s LYS 181 CO 0.25 -0.18 1.58 -0.44 0.10 0.00 0.00 175.35 176.65 3d29 h ASP 182 N 7.66 0.07 -0.62 0.03 3.45 -1.97 0.21 116.42 125.25 3d29 h ASP 182 Ca -0.31 0.06 -0.23 0.00 0.43 0.00 0.00 57.03 56.98 3d29 h ASP 182 Cb 1.14 0.06 -0.14 0.00 -0.56 0.00 0.00 39.33 39.83 3d29 h ASP 182 CO 0.39 -0.10 0.29 -0.90 -1.57 0.00 0.00 179.24 177.35 3d29 n ASP 183 N -4.24 4.01 -4.73 6.45 5.68 -1.26 -4.61 116.55 117.86 3d29 n ASP 183 Ca 0.43 -3.01 -0.31 0.00 -0.50 0.00 0.00 54.79 51.40 3d29 n ASP 183 Cb 1.86 -0.71 0.12 0.00 -1.14 0.00 0.00 41.12 41.25 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 -2.44 1.76 0.12 0.11 -1.94 0.75 -4.91 119.30 112.76 3d29 s MET 184 Ca 0.43 1.39 0.07 0.00 -1.71 0.00 0.00 55.69 55.86 3d29 s MET 184 Cb 0.34 -1.82 -0.04 0.00 2.01 0.00 0.00 34.83 35.32 3d29 s MET 184 CO 0.10 -2.05 -0.07 0.21 -0.01 0.00 0.00 175.02 173.20 3d29 s LYS 185 N -4.67 2.23 0.18 2.03 2.36 -1.26 -2.81 119.74 117.80 3d29 s LYS 185 Ca 0.65 -1.02 -0.24 0.00 -2.55 0.00 0.00 55.97 52.81 3d29 s LYS 185 Cb -0.21 -2.34 0.06 0.00 -1.05 0.00 0.00 37.83 34.30 3d29 s LYS 185 CO 0.55 0.50 1.47 0.28 1.55 0.00 0.00 175.35 179.70 3d29 n VAL 186 N 0.50 -0.58 0.08 4.02 0.31 -1.26 0.54 118.33 121.93 3d29 n VAL 186 Ca -0.12 2.27 0.15 0.00 -0.01 0.00 0.00 64.34 66.63 3d29 n VAL 186 Cb 0.53 -2.89 0.66 0.00 -0.91 0.00 0.00 33.84 31.23 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 0.03 -0.10 4.52 5.19 -1.98 0.24 116.42 124.32 3d29 h ASP 187 Ca 0.23 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 3d29 h ASP 187 Cb 0.47 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.97 3d29 h ASP 187 CO -0.92 0.02 -0.04 0.44 -3.12 0.00 0.00 179.24 175.63 3d29 h ASP 188 N 0.03 0.20 -0.86 6.45 3.45 -0.30 -2.48 116.42 122.92 3d29 h ASP 188 Ca 0.17 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.23 3d29 h ASP 188 Cb 0.63 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 3d29 h ASP 188 CO -0.01 0.55 0.54 0.00 -1.57 0.00 0.00 179.24 178.76 3d29 h ALA 189 N 0.66 1.09 -0.89 3.45 0.00 0.23 -0.38 119.26 123.40 3d29 h ALA 189 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3d29 h ALA 189 Cb 0.47 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3d29 h ALA 189 CO 0.01 0.53 0.58 0.82 0.00 0.00 0.00 179.25 181.19 3d29 h ILE 190 N 1.17 1.03 0.03 0.00 2.04 -0.48 0.94 117.51 122.23 3d29 h ILE 190 Ca 0.31 -0.33 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 3d29 h ILE 190 Cb -0.09 -0.02 0.02 0.00 -0.74 0.00 0.00 36.82 35.99 3d29 h ILE 190 CO -0.06 0.18 -0.75 -0.08 0.00 0.00 0.00 178.15 177.43 3d29 h GLU 191 N 0.96 0.47 -0.75 2.37 4.81 -0.90 -2.91 114.58 118.63 3d29 h GLU 191 Ca 0.40 -0.53 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3d29 h GLU 191 Cb 0.28 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3d29 h GLU 191 CO -0.16 1.18 0.50 1.25 -0.73 0.00 0.00 179.01 181.05 3d29 h LEU 192 N -0.02 0.85 0.59 1.64 6.46 -0.59 -1.05 115.31 123.19 3d29 h LEU 192 Ca -0.10 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 3d29 h LEU 192 Cb 1.46 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 41.19 3d29 h LEU 192 CO 0.15 0.61 -0.28 0.00 -0.62 0.00 0.00 178.44 178.30 3d29 h ALA 193 N 1.54 -0.79 -0.31 1.25 0.00 -0.85 -2.05 119.26 118.05 3d29 h ALA 193 Ca 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 193 Cb -0.09 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d29 h ALA 193 CO -0.06 -0.89 0.18 -0.07 0.00 0.00 0.00 179.25 178.41 3d29 h LEU 194 N -0.89 0.37 -0.30 0.00 3.38 -1.30 -2.26 115.31 114.32 3d29 h LEU 194 Ca -0.08 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3d29 h LEU 194 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3d29 h LEU 194 CO 0.13 0.30 -0.18 0.11 0.09 0.00 0.00 178.44 178.89 3d29 h LYS 195 N 0.43 0.64 0.26 1.13 1.79 -1.10 -1.91 116.57 117.81 3d29 h LYS 195 Ca 0.11 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3d29 h LYS 195 Cb -0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3d29 h LYS 195 CO -0.02 0.89 -0.13 1.15 -1.08 0.00 0.00 179.45 180.26 3d29 h THR 196 N 0.39 0.75 -0.50 -0.16 2.02 -0.96 -1.69 112.91 112.77 3d29 h THR 196 Ca 0.06 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.26 3d29 h THR 196 Cb 0.71 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 3d29 h THR 196 CO 0.05 0.02 0.08 -0.07 0.37 0.00 0.00 175.52 175.97 3d29 h LEU 197 N -0.39 -0.03 -1.02 2.58 3.38 -1.45 -0.87 115.31 117.51 3d29 h LEU 197 Ca -0.04 0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.20 3d29 h LEU 197 Cb 0.29 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 3d29 h LEU 197 CO 0.06 0.01 0.62 -1.28 0.09 0.00 0.00 178.44 177.94 3d29 h SER 198 N 0.22 0.82 1.31 -0.43 0.87 -0.91 0.35 113.55 115.78 3d29 h SER 198 Ca 0.25 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3d29 h SER 198 Cb 0.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3d29 h SER 198 CO -0.34 0.33 -0.44 0.11 -0.53 0.00 0.00 176.83 175.96 3d29 h LYS 199 N 0.82 0.00 0.00 2.24 1.57 -0.29 -3.34 116.57 117.57 3d29 h LYS 199 Ca 0.56 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.05 3d29 h LYS 199 Cb 0.81 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 3d29 h LYS 199 CO -0.35 0.00 -2.07 0.25 -0.57 0.00 0.00 179.45 176.71 3d29 n THR 200 N -2.54 1.29 -1.51 -0.16 -2.24 -0.47 -4.99 114.28 103.65 3d29 n THR 200 Ca 0.03 -0.79 -0.57 0.00 -2.27 0.00 0.00 64.05 60.45 3d29 n THR 200 Cb 0.49 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.79 0.16 1.13 4.28 -1.04 0.11 -4.83 114.28 111.30 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 1.04 -0.18 0.61 0.00 -1.82 0.00 0.00 70.33 69.98 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 1.73 0.10 -4.92 8.00 8.00 -1.26 -4.87 116.55 123.33 3d29 n ASP 203 Ca 0.19 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.60 3d29 n ASP 203 Cb 0.12 -0.33 0.07 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.86 4.86 0.00 -2.24 0.01 -1.26 -5.04 113.70 107.17 3d29 s SER 204 Ca 0.18 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.00 3d29 s SER 204 Cb 0.19 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.21 3d29 s SER 204 CO 0.53 -1.59 0.94 -1.20 0.41 0.00 0.00 173.24 172.33 3d29 n SER 20 N -2.96 0.00 -4.43 2.44 7.64 -1.26 -4.86 113.62 110.19 3d29 n SER 20 Ca 0.08 0.94 -0.22 0.00 1.01 0.00 0.00 58.87 60.68 3d29 n SER 20 Cb 0.60 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.89 2.48 -0.80 -0.43 0.00 -1.26 -5.09 121.76 113.77 3d29 s ALA 20 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 51.96 49.98 3d29 s ALA 20 Cb 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 23.12 23.20 3d29 s ALA 20 CO 0.00 0.14 0.77 -1.17 0.00 0.00 0.00 175.76 175.51 3d29 s LEU 205 N -3.45 6.51 0.27 0.00 2.96 -1.26 -5.04 118.68 118.68 3d29 s LEU 205 Ca 0.28 -2.51 0.02 0.00 -0.22 0.00 0.00 54.13 51.70 3d29 s LEU 205 Cb -0.02 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3d29 s LEU 205 CO 0.12 -0.66 0.44 0.42 -1.32 0.00 0.00 176.35 175.34 3d29 s THR 206 N 0.61 5.19 0.34 3.68 -4.23 -1.26 -4.99 115.64 114.99 3d29 s THR 206 Ca 0.18 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 3d29 s THR 206 Cb -0.12 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.17 3d29 s THR 206 CO -0.07 -0.39 1.93 0.10 -0.54 0.00 0.00 174.62 175.64 3d29 h TYR 207 N 1.15 0.85 0.00 3.99 -0.00 -1.91 -2.32 116.97 118.72 3d29 h TYR 207 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3d29 h TYR 207 Cb 1.22 -0.28 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3d29 h TYR 207 CO 0.49 0.43 0.00 -0.40 -0.00 0.00 0.00 178.16 178.68 3d29 n ASP 208 N -4.49 0.00 -0.44 0.10 5.75 -1.26 -1.52 116.55 114.69 3d29 n ASP 208 Ca 0.13 0.36 0.08 0.00 -0.01 0.00 0.00 54.79 55.34 3d29 n ASP 208 Cb 0.26 -0.38 0.18 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.38 1.71 -4.09 0.11 1.74 -0.87 -4.93 116.66 108.94 3d29 n ARG 209 Ca 0.01 -2.83 -0.09 0.00 -0.77 0.00 0.00 57.85 54.16 3d29 n ARG 209 Cb 0.02 -1.62 -0.10 0.00 -1.02 0.00 0.00 32.46 29.74 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 -2.98 2.42 -0.02 0.55 1.43 -0.57 -0.07 118.68 119.44 3d29 s LEU 210 Ca 0.36 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3d29 s LEU 210 Cb 0.32 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.59 3d29 s LEU 210 CO 0.02 -0.45 -0.08 -1.61 0.23 0.00 0.00 176.35 174.46 3d29 s GLU 211 N -3.15 0.84 0.06 1.70 2.02 -0.86 -4.89 118.70 114.42 3d29 s GLU 211 Ca 0.02 -0.27 0.03 0.00 0.02 0.00 0.00 54.97 54.77 3d29 s GLU 211 Cb 0.02 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.42 3d29 s GLU 211 CO -0.05 0.11 -0.10 0.12 0.02 0.00 0.00 175.26 175.35 3d29 s PHE 212 N 0.15 0.90 -0.09 1.61 5.36 -1.26 -1.76 117.98 122.89 3d29 s PHE 212 Ca -0.02 -0.52 -0.26 0.00 -0.96 0.00 0.00 56.93 55.17 3d29 s PHE 212 Cb -0.07 -0.52 0.06 0.00 -0.34 0.00 0.00 43.02 42.15 3d29 s PHE 212 CO 0.00 -0.03 0.61 0.00 -1.46 0.00 0.00 175.22 174.34 3d29 s ALA 213 N -1.52 -1.55 0.03 11.12 0.00 0.12 -0.76 121.76 129.19 3d29 s ALA 213 Ca -0.05 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3d29 s ALA 213 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3d29 s ALA 213 CO 0.01 -0.33 -0.04 0.95 0.00 0.00 0.00 175.76 176.34 3d29 s THR 214 N -0.81 0.25 -0.37 0.00 -4.23 -0.60 -0.11 115.64 109.77 3d29 s THR 214 Ca -0.09 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3d29 s THR 214 Cb -0.02 -0.56 0.11 0.00 1.34 0.00 0.00 72.50 73.38 3d29 s THR 214 CO 0.07 -0.55 0.14 -0.63 -0.54 0.00 0.00 174.62 173.11 3d29 s ILE 215 N -1.82 1.55 0.13 2.99 1.01 -0.49 -1.34 121.20 123.23 3d29 s ILE 215 Ca -0.11 -2.14 0.11 0.00 0.00 0.00 0.00 60.65 58.52 3d29 s ILE 215 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3d29 s ILE 215 CO -0.02 -0.72 -0.27 -0.13 0.00 0.00 0.00 174.94 173.80 3d29 s ARG 216 N 0.92 1.40 -1.16 2.79 0.52 -0.61 -2.21 118.95 120.59 3d29 s ARG 216 Ca 0.13 -1.35 -0.11 0.00 -0.52 0.00 0.00 55.73 53.88 3d29 s ARG 216 Cb -0.20 -1.88 0.23 0.00 0.52 0.00 0.00 34.95 33.62 3d29 s ARG 216 CO -0.12 0.44 1.29 1.17 0.02 0.00 0.00 175.30 178.11 3d29 n LYS 21 N 0.88 3.51 -1.51 3.54 4.81 -1.26 0.10 118.16 128.24 3d29 n LYS 21 Ca -0.18 -4.18 -0.36 0.00 -0.87 0.00 0.00 58.31 52.72 3d29 n LYS 21 Cb 0.53 -2.77 -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 3.23 -0.41 0.24 3.14 0.00 -1.23 -4.75 105.19 105.41 3d29 n GLY 21 Ca 0.30 0.87 0.08 0.00 0.00 0.00 0.00 46.02 47.27 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 10.48 0.28 -1.04 4.61 0.00 -1.26 -2.25 120.51 131.32 3d29 n ALA 217 Ca 0.63 0.73 -0.32 0.00 0.00 0.00 0.00 53.44 54.48 3d29 n ALA 217 Cb 0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 -4.98 5.24 0.00 0.00 4.05 -1.26 -3.59 115.26 114.71 3d29 n ASN 218 Ca 0.14 -2.50 0.00 0.00 0.45 0.00 0.00 54.58 52.67 3d29 n ASN 218 Cb 0.45 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 40.20 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 4.86 0.00 0.00 1.20 2.03 -0.96 -5.01 116.55 118.68 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 0.93 3.76 0.27 0.00 -1.21 -5.10 105.19 103.84 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 -0.33 2.67 0.26 1.61 2.12 -1.26 -5.04 118.70 118.74 3d29 s GLU 219 Ca 0.00 -1.22 -0.13 0.00 0.36 0.00 0.00 54.97 53.98 3d29 s GLU 219 Cb 0.00 -2.40 -0.08 0.00 0.26 0.00 0.00 34.13 31.91 3d29 s GLU 219 CO 0.00 0.34 0.64 0.08 -0.54 0.00 0.00 175.26 175.78 3d29 s VAL 21 N -2.23 4.80 -0.02 3.70 1.01 -1.26 -3.54 120.40 122.86 3d29 s VAL 21 Ca 0.33 0.75 0.03 0.00 0.00 0.00 0.00 61.98 63.09 3d29 s VAL 21 Cb -0.07 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 3d29 s VAL 21 CO 0.23 -0.08 -0.10 -0.47 0.00 0.00 0.00 175.10 174.68 3d29 s TYR 220 N -1.85 0.98 -0.13 5.22 6.14 0.12 -4.95 117.35 122.87 3d29 s TYR 220 Ca 0.49 -0.23 -0.07 0.00 0.64 0.00 0.00 57.07 57.90 3d29 s TYR 220 Cb -0.11 -0.68 -0.04 0.00 0.42 0.00 0.00 41.96 41.55 3d29 s TYR 220 CO 0.19 -0.08 0.13 -0.65 0.64 0.00 0.00 175.55 175.79 3d29 s GLN 221 N 0.05 3.57 -0.18 4.97 -0.21 -1.26 -1.58 119.66 125.02 3d29 s GLN 221 Ca -0.01 -0.15 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 3d29 s GLN 221 Cb -0.07 -3.22 0.06 0.00 1.00 0.00 0.00 33.01 30.78 3d29 s GLN 221 CO 0.00 0.69 0.08 0.21 -2.12 0.00 0.00 175.29 174.15 3d29 s LYS 222 N -0.77 0.15 -0.54 2.91 2.20 -0.45 -4.99 119.74 118.25 3d29 s LYS 222 Ca 0.14 -0.14 -0.18 0.00 -0.36 0.00 0.00 55.97 55.43 3d29 s LYS 222 Cb -0.12 -1.87 0.09 0.00 -1.51 0.00 0.00 37.83 34.43 3d29 s LYS 222 CO 0.03 -0.67 0.59 0.42 -0.36 0.00 0.00 175.35 175.36 3d29 s ILE 223 N 2.10 4.99 0.47 5.43 1.09 -1.26 -1.55 121.20 132.45 3d29 s ILE 223 Ca 0.02 -0.99 -0.22 0.00 -1.10 0.00 0.00 60.65 58.36 3d29 s ILE 223 Cb -0.16 -4.35 -0.10 0.00 -1.06 0.00 0.00 42.46 36.78 3d29 s ILE 223 CO -0.09 -0.90 0.70 0.49 -0.10 0.00 0.00 174.94 175.03 3d29 n PHE 224 N 5.87 0.01 -3.09 3.97 0.99 0.06 -4.97 117.46 120.30 3d29 n PHE 224 Ca -0.10 0.54 -0.21 0.00 -0.00 0.00 0.00 57.45 57.68 3d29 n PHE 224 Cb 0.43 -2.06 0.01 0.00 -1.00 0.00 0.00 39.48 36.86 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 -1.91 3.00 0.26 -1.08 1.02 -1.26 -4.57 119.74 115.19 3d29 s LYS 225 Ca 0.66 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 3d29 s LYS 225 Cb -0.54 -2.64 0.46 0.00 -0.52 0.00 0.00 37.83 34.59 3d29 s LYS 225 CO 0.56 -0.22 1.61 -1.35 -0.92 0.00 0.00 175.35 175.03 3d29 h PRO 226 N 0.52 0.06 -0.50 -1.68 0.11 -1.94 -0.88 132.00 127.68 3d29 h PRO 226 Ca -0.45 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 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 -0.15 0.37 -0.21 0.00 0.00 178.00 178.59 3d29 h GLN 227 N 0.06 0.99 -0.49 1.05 5.75 -1.99 -1.85 115.11 118.64 3d29 h GLN 227 Ca 0.44 -0.39 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3d29 h GLN 227 Cb 0.77 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 3d29 h GLN 227 CO -0.76 1.07 0.32 0.93 -2.65 0.00 0.00 178.83 177.74 3d29 h GLU 228 N 0.85 0.54 0.03 1.69 5.08 -1.57 0.45 114.58 121.65 3d29 h GLU 228 Ca 0.12 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 3d29 h GLU 228 Cb 0.72 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3d29 h GLU 228 CO 0.06 0.36 -1.04 0.82 -1.00 0.00 0.00 179.01 178.20 3d29 h ILE 229 N 0.56 1.35 -0.58 3.13 2.04 -1.16 -2.66 117.51 120.18 3d29 h ILE 229 Ca 0.19 -2.42 -0.03 0.00 1.00 0.00 0.00 64.86 63.61 3d29 h ILE 229 Cb 0.08 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3d29 h ILE 229 CO -0.05 0.73 0.24 0.50 0.00 0.00 0.00 178.15 179.57 3d29 h LYS 230 N 0.29 0.84 0.26 2.37 3.64 -0.42 -1.28 116.57 122.28 3d29 h LYS 230 Ca -0.12 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3d29 h LYS 230 Cb 1.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 3d29 h LYS 230 CO 0.19 0.69 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.49 3d29 h ASP 231 N 0.83 -0.30 -1.21 4.20 3.45 -0.94 -3.00 116.42 119.45 3d29 h ASP 231 Ca 0.20 0.01 0.35 0.00 0.43 0.00 0.00 57.03 58.02 3d29 h ASP 231 Cb 0.16 0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 38.95 3d29 h ASP 231 CO -0.02 -0.13 0.86 -0.29 -1.57 0.00 0.00 179.24 178.08 3d29 h ILE 232 N -0.52 0.39 -0.40 0.35 6.09 -1.47 0.24 117.51 122.19 3d29 h ILE 232 Ca -0.04 -0.02 -0.13 0.00 -1.37 0.00 0.00 64.86 63.30 3d29 h ILE 232 Cb 0.27 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 37.87 3d29 h ILE 232 CO 0.06 0.01 -0.26 0.25 -3.07 0.00 0.00 178.15 175.14 3d29 h LEU 233 N 0.07 0.87 -0.32 2.19 5.85 -1.23 -2.17 115.31 120.57 3d29 h LEU 233 Ca 0.60 -0.34 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 3d29 h LEU 233 Cb 2.24 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3d29 h LEU 233 CO -0.07 1.09 -0.64 0.58 -0.34 0.00 0.00 178.44 179.05 3d29 h VAL 234 N 0.72 1.30 0.85 1.05 2.07 -0.40 -1.51 116.25 120.34 3d29 h VAL 234 Ca 0.09 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 3d29 h VAL 234 Cb 0.81 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3d29 h VAL 234 CO 0.07 0.59 -0.41 0.11 0.02 0.00 0.00 177.57 177.95 3d29 h LYS 235 N 0.53 -1.10 0.00 1.57 1.79 -1.29 -2.55 116.57 115.51 3d29 h LYS 235 Ca -0.01 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3d29 h LYS 235 Cb 1.24 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 3d29 h LYS 235 CO 0.13 -0.73 0.10 0.25 -1.08 0.00 0.00 179.45 178.12 3d29 n THR 236 N -5.55 1.29 -1.26 -0.16 -2.24 -0.83 -4.75 114.28 100.78 3d29 n THR 236 Ca -0.15 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 3d29 n THR 236 Cb 0.46 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.30 0.76 0.00 3.38 0.00 -0.96 -4.98 105.19 102.08 3d29 n GLY 237 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.02 0.00 0.00 -0.61 5.41 -0.63 -5.05 119.36 117.46 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 0.28 1.22 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