#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qty s ALA 2 N 0.00 3.32 0.44 3.17 0.00 -1.26 -4.96 121.76 122.47 2qty s ALA 2 Ca 0.00 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.56 2qty s ALA 2 Cb 0.00 -3.13 0.97 0.00 0.00 0.00 0.00 23.12 20.96 2qty s ALA 2 CO 0.00 0.22 2.08 0.66 0.00 0.00 0.00 175.76 178.72 2qty h SER 3 N 3.79 0.35 -0.56 0.00 4.64 -2.00 -2.15 113.55 117.62 2qty h SER 3 Ca -0.46 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2qty h SER 3 Cb 1.20 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 2qty h SER 3 CO 0.66 0.25 0.26 -0.29 -0.87 0.00 0.00 176.83 176.85 2qty h ILE 4 N 0.41 1.20 -0.62 0.95 6.09 -1.99 -0.76 117.51 122.80 2qty h ILE 4 Ca 0.12 -0.60 -0.06 0.00 -1.37 0.00 0.00 64.86 62.96 2qty h ILE 4 Cb 0.00 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 37.73 2qty h ILE 4 CO -0.03 0.25 0.17 -1.28 -3.07 0.00 0.00 178.15 174.18 2qty h SER 5 N 0.85 0.93 -0.44 2.19 0.87 -1.79 -1.62 113.55 114.54 2qty h SER 5 Ca 0.21 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2qty h SER 5 Cb 0.12 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2qty h SER 5 CO -0.02 0.91 0.07 0.03 -0.53 0.00 0.00 176.83 177.28 2qty h ARG 6 N 0.90 0.80 0.14 2.24 3.08 -1.13 0.13 114.38 120.54 2qty h ARG 6 Ca 0.20 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2qty h ARG 6 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qty h ARG 6 CO -0.00 0.76 -0.07 0.74 -1.07 0.00 0.00 179.97 180.33 2qty h PHE 7 N 0.76 -0.17 -0.65 3.04 -1.00 -0.85 0.92 116.94 118.99 2qty h PHE 7 Ca 0.16 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.96 2qty h PHE 7 Cb 0.36 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 2qty h PHE 7 CO 0.02 0.15 0.41 0.00 -1.61 0.00 0.00 178.31 177.29 2qty h ARG 8 N -0.51 0.80 -0.61 1.51 3.08 -1.27 -2.68 114.38 114.70 2qty h ARG 8 Ca -0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2qty h ARG 8 Cb 0.40 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2qty h ARG 8 CO 0.03 0.53 0.02 0.78 -1.07 0.00 0.00 179.97 180.26 2qty h GLY 9 N 0.83 1.16 0.58 0.04 0.00 -0.62 -1.45 103.07 103.60 2qty h GLY 9 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2qty h GLY 9 CO -0.08 0.77 -0.33 0.00 0.00 0.00 0.00 176.54 176.89 2qty h LEU 11 N -0.66 0.05 -0.60 0.00 3.38 -1.42 -2.18 115.31 113.89 2qty h LEU 11 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qty h LEU 11 Cb 0.62 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2qty h LEU 11 CO -0.10 0.71 0.37 0.00 0.09 0.00 0.00 178.44 179.51 2qty h ALA 12 N 1.29 0.76 -0.77 1.53 0.00 -1.09 -0.84 119.26 120.14 2qty h ALA 12 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qty h ALA 12 Cb 1.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2qty h ALA 12 CO 0.09 0.23 0.29 0.78 0.00 0.00 0.00 179.25 180.64 2qty h GLY 13 N 0.81 1.25 0.88 0.00 0.00 -0.17 0.31 103.07 106.14 2qty h GLY 13 Ca 0.22 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2qty h GLY 13 CO -0.04 0.66 0.06 0.00 0.00 0.00 0.00 176.54 177.22 2qty h ALA 14 N 1.15 0.22 -0.45 3.60 0.00 -1.30 -0.93 119.26 121.55 2qty h ALA 14 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qty h ALA 14 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qty h ALA 14 CO -0.02 -0.18 0.29 1.25 0.00 0.00 0.00 179.25 180.59 2qty h LEU 15 N 0.11 0.53 -0.38 0.00 5.85 -0.84 -1.84 115.31 118.75 2qty h LEU 15 Ca 0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qty h LEU 15 Cb 0.19 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2qty h LEU 15 CO -0.00 0.41 0.24 -0.07 -0.34 0.00 0.00 178.44 178.67 2qty h LEU 16 N 0.61 0.44 -0.54 2.25 3.38 -0.81 0.75 115.31 121.39 2qty h LEU 16 Ca 0.16 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qty h LEU 16 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qty h LEU 16 CO -0.03 0.34 0.36 1.23 0.09 0.00 0.00 178.44 180.43 2qty h GLY 17 N 0.50 0.76 0.87 0.83 0.00 -0.94 0.13 103.07 105.23 2qty h GLY 17 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2qty h GLY 17 CO -0.03 0.27 -0.26 -1.80 0.00 0.00 0.00 176.54 174.73 2qty h ASP 18 N 0.73 -0.60 -0.24 0.19 3.58 -1.10 -0.75 116.42 118.22 2qty h ASP 18 Ca 0.20 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2qty h ASP 18 Cb -0.07 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2qty h ASP 18 CO -0.05 -0.34 0.08 0.00 -2.88 0.00 0.00 179.24 176.06 2qty h VAL 20 N 0.22 1.29 0.00 0.00 2.07 -0.83 -3.20 116.25 115.79 2qty h VAL 20 Ca 0.08 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 2qty h VAL 20 Cb 0.21 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2qty h VAL 20 CO -0.00 0.51 -0.24 1.23 0.02 0.00 0.00 177.57 179.08 2qty h GLY 21 N 0.95 0.00 0.23 2.17 0.00 -0.97 -3.38 103.07 102.07 2qty h GLY 21 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.54 2qty h GLY 21 CO 0.08 0.00 0.52 0.00 0.00 0.00 0.00 176.54 177.15 2qty h ALA 22 N 1.76 1.44 0.00 3.60 0.00 -1.04 -2.22 119.26 122.80 2qty h ALA 22 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qty h ALA 22 Cb 1.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qty h ALA 22 CO 0.03 -0.03 -0.03 -0.24 0.00 0.00 0.00 179.25 178.98 2qty h VAL 23 N 0.72 0.14 -0.31 0.00 3.04 -1.80 -2.40 116.25 115.64 2qty h VAL 23 Ca 0.51 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2qty h VAL 23 Cb 0.71 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2qty h VAL 23 CO -0.36 0.03 0.00 -1.22 -1.01 0.00 0.00 177.57 175.02 2qty n TYR 24 N -3.21 0.39 -1.68 3.17 4.02 -0.84 -4.97 117.16 114.03 2qty n TYR 24 Ca -0.01 -0.20 -0.45 0.00 -0.01 0.00 0.00 57.90 57.23 2qty n TYR 24 Cb 0.22 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2qty n TYR 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2qty n GLU 25 N 1.42 2.22 -0.52 -0.72 2.13 -0.90 -1.10 120.64 123.17 2qty n GLU 25 Ca 0.18 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.80 2qty n GLU 25 Cb 0.59 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.76 2qty n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qty n ALA 26 N 2.83 0.00 -2.25 4.31 0.00 0.71 -4.96 120.51 121.15 2qty n ALA 26 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2qty n ALA 26 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2qty n ALA 26 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qty s HIS 27 N -3.07 2.95 -0.22 0.00 3.76 -0.26 -4.68 115.29 113.77 2qty s HIS 27 Ca 0.00 0.89 0.21 0.00 -0.15 0.00 0.00 55.06 56.01 2qty s HIS 27 Cb 0.00 -3.63 0.41 0.00 1.11 0.00 0.00 32.58 30.47 2qty s HIS 27 CO 0.00 -2.28 1.61 0.38 -0.85 0.00 0.00 174.74 173.60 2qty h ASP 28 N 7.64 0.00 -3.43 1.40 3.04 -1.90 0.47 116.42 123.65 2qty h ASP 28 Ca -0.38 0.00 -0.44 0.00 -3.24 0.00 0.00 57.03 52.97 2qty h ASP 28 Cb 1.18 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.13 2qty h ASP 28 CO 0.89 0.21 -0.78 0.42 -2.04 0.00 0.00 179.24 177.94 2qty s THR 29 N -3.22 0.67 -0.11 1.15 -4.23 -1.26 -4.42 115.64 104.22 2qty s THR 29 Ca 0.05 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2qty s THR 29 Cb 0.07 -0.68 0.04 0.00 1.34 0.00 0.00 72.50 73.27 2qty s THR 29 CO 0.68 0.26 0.02 -0.69 -0.54 0.00 0.00 174.62 174.35 2qty s VAL 30 N 0.96 0.33 0.51 2.29 1.01 -1.26 -4.99 120.40 119.24 2qty s VAL 30 Ca -0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2qty s VAL 30 Cb -0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 2qty s VAL 30 CO 0.00 0.10 1.05 -0.94 0.00 0.00 0.00 175.10 175.31 2qty s SER 31 N 1.98 6.21 0.22 3.32 1.04 -1.26 -4.69 113.70 120.52 2qty s SER 31 Ca 0.03 1.94 -0.08 0.00 0.48 0.00 0.00 55.95 58.33 2qty s SER 31 Cb -0.14 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.60 2qty s SER 31 CO -0.06 -0.88 1.81 0.25 0.98 0.00 0.00 173.24 175.34 2qty h LEU 32 N 1.37 1.11 -0.62 2.42 5.85 -1.96 -2.22 115.31 121.26 2qty h LEU 32 Ca -0.49 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.20 2qty h LEU 32 Cb 1.22 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2qty h LEU 32 CO 0.59 0.94 0.17 0.00 -0.34 0.00 0.00 178.44 179.80 2qty h ALA 33 N 1.21 0.77 -0.21 1.25 0.00 -1.94 0.71 119.26 121.05 2qty h ALA 33 Ca 0.29 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 2qty h ALA 33 Cb 0.14 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qty h ALA 33 CO -0.03 -0.27 0.09 1.03 0.00 0.00 0.00 179.25 180.06 2qty h SER 34 N 0.31 0.29 -0.66 0.00 0.87 -1.80 -1.25 113.55 111.31 2qty h SER 34 Ca 0.33 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2qty h SER 34 Cb 0.47 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2qty h SER 34 CO -0.38 0.36 0.17 0.58 -0.53 0.00 0.00 176.83 177.03 2qty h VAL 35 N 0.20 1.26 -0.41 2.23 2.07 -0.96 -1.02 116.25 119.61 2qty h VAL 35 Ca 0.07 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qty h VAL 35 Cb 0.16 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2qty h VAL 35 CO -0.01 0.35 0.20 -0.07 0.02 0.00 0.00 177.57 178.07 2qty h LEU 36 N 0.98 0.29 -1.12 2.57 3.38 -0.65 -1.54 115.31 119.22 2qty h LEU 36 Ca 0.21 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qty h LEU 36 Cb 0.35 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qty h LEU 36 CO 0.00 0.21 0.24 0.28 0.09 0.00 0.00 178.44 179.26 2qty h SER 37 N 0.41 0.79 0.19 -0.43 0.02 -0.99 0.33 113.55 113.87 2qty h SER 37 Ca 0.18 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2qty h SER 37 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2qty h SER 37 CO -0.13 0.71 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.44 2qty h HIS 38 N 0.85 -0.24 -0.19 3.45 -0.00 -0.80 -0.73 115.15 117.50 2qty h HIS 38 Ca 0.20 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.42 2qty h HIS 38 Cb 0.17 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 2qty h HIS 38 CO 0.01 -0.12 -0.49 -0.39 -0.00 0.00 0.00 177.93 176.94 2qty h VAL 39 N -0.29 1.32 0.00 5.26 -1.51 -1.24 -2.80 116.25 116.99 2qty h VAL 39 Ca -0.03 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.70 2qty h VAL 39 Cb 0.23 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2qty h VAL 39 CO 0.04 0.53 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.43 2qty h GLU 40 N 0.41 0.00 0.00 5.19 5.08 -0.84 -1.61 114.58 122.81 2qty h GLU 40 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qty h GLU 40 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2qty h GLU 40 CO 0.09 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 177.12 2qty n SER 41 N -3.68 0.34 -0.16 1.42 3.41 -0.29 -2.00 113.62 112.67 2qty n SER 41 Ca -0.02 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2qty n SER 41 Cb 0.27 -0.67 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 2qty n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qty n LEU 42 N -1.90 0.88 -3.43 1.04 4.77 -0.61 -4.28 117.00 113.46 2qty n LEU 42 Ca 0.01 -0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 2qty n LEU 42 Cb 0.13 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2qty n LEU 42 CO 0.12 0.18 0.62 -0.62 -1.33 0.00 0.00 177.39 176.36 2qty n GLU 43 N -0.96 3.81 0.00 3.23 -0.58 -0.85 -4.60 120.64 120.70 2qty n GLU 43 Ca 0.09 -4.71 0.00 0.00 -0.42 0.00 0.00 57.16 52.12 2qty n GLU 43 Cb 0.35 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 2qty n GLU 43 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2qty n PRO 44 N 0.38 0.00 -0.84 3.49 -0.02 -1.26 -5.03 135.00 131.72 2qty n PRO 44 Ca 0.33 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 2qty n PRO 44 Cb 0.35 -0.27 0.03 0.00 -0.02 0.00 0.00 33.50 33.60 2qty n PRO 44 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qty n GLU 55 N 0.00 0.00 -1.92 -0.52 -0.58 -1.26 -5.16 120.64 111.20 2qty n GLU 55 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2qty n GLU 55 Cb 0.00 -0.84 0.04 0.00 -0.57 0.00 0.00 31.44 30.07 2qty n GLU 55 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2qty s THR 56 N -1.67 2.63 -0.37 2.62 -1.32 -1.26 -4.99 115.64 111.27 2qty s THR 56 Ca 0.33 0.37 -0.21 0.00 -1.21 0.00 0.00 61.69 60.97 2qty s THR 56 Cb -0.09 -3.10 0.01 0.00 -1.51 0.00 0.00 72.50 67.81 2qty s THR 56 CO 0.66 -0.10 0.65 -0.76 -2.21 0.00 0.00 174.62 172.85 2qty s LEU 57 N -4.26 4.27 0.28 9.08 1.43 0.12 -4.96 118.68 124.64 2qty s LEU 57 Ca 0.76 0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.68 2qty s LEU 57 Cb -0.30 -2.79 -0.09 0.00 0.03 0.00 0.00 46.19 43.04 2qty s LEU 57 CO 0.35 -0.62 0.96 -0.31 0.23 0.00 0.00 176.35 176.96 2qty s TYR 58 N 2.75 3.80 0.71 0.29 2.02 -1.26 -1.02 117.35 124.63 2qty s TYR 58 Ca 0.25 1.83 -0.10 0.00 -0.37 0.00 0.00 57.07 58.68 2qty s TYR 58 Cb -0.14 -2.99 0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2qty s TYR 58 CO 0.15 0.22 1.07 1.52 -1.57 0.00 0.00 175.55 176.95 2qty s TYR 59 N -1.37 3.20 0.00 2.71 -0.85 -1.26 -4.58 117.35 115.19 2qty s TYR 59 Ca 0.46 0.86 0.00 0.00 -0.52 0.00 0.00 57.07 57.87 2qty s TYR 59 Cb -0.23 -3.11 0.00 0.00 0.38 0.00 0.00 41.96 39.00 2qty s TYR 59 CO 0.29 -1.25 0.00 0.25 -1.52 0.00 0.00 175.55 173.32 2qty n THR 60 N -2.98 0.00 -0.25 -3.49 -2.24 -1.26 -4.97 114.28 99.09 2qty n THR 60 Ca 0.07 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.06 2qty n THR 60 Cb 0.58 -0.06 0.54 0.00 -2.10 0.00 0.00 70.33 69.29 2qty n THR 60 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2qty h ASP 61 N 0.00 0.36 -0.23 3.42 2.03 -1.61 -1.43 116.42 118.96 2qty h ASP 61 Ca 0.00 0.04 0.03 0.00 -0.73 0.00 0.00 57.03 56.37 2qty h ASP 61 Cb 0.00 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 38.45 2qty h ASP 61 CO 0.00 0.13 0.06 0.44 -1.03 0.00 0.00 179.24 178.84 2qty h ASP 62 N 0.35 0.05 -0.18 4.15 3.45 -1.92 -0.20 116.42 122.12 2qty h ASP 62 Ca 0.48 0.03 -0.15 0.00 0.43 0.00 0.00 57.03 57.83 2qty h ASP 62 Cb 1.30 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 2qty h ASP 62 CO -0.17 0.06 -0.46 0.74 -1.57 0.00 0.00 179.24 177.84 2qty h THR 63 N 0.16 1.33 -0.49 0.35 2.02 -1.79 -1.50 112.91 112.98 2qty h THR 63 Ca 0.10 -1.70 0.07 0.00 0.77 0.00 0.00 66.41 65.64 2qty h THR 63 Cb 0.09 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 2qty h THR 63 CO -0.12 0.53 0.18 0.00 0.37 0.00 0.00 175.52 176.47 2qty h ALA 64 N 0.57 0.60 -0.17 6.16 0.00 -1.02 -0.05 119.26 125.35 2qty h ALA 64 Ca -0.01 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2qty h ALA 64 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qty h ALA 64 CO 0.10 -0.21 -0.69 0.52 0.00 0.00 0.00 179.25 178.97 2qty h MET 65 N 0.36 0.71 -0.62 0.00 2.86 -1.07 -1.85 114.93 115.31 2qty h MET 65 Ca 0.24 -0.53 0.12 0.00 -2.06 0.00 0.00 59.70 57.47 2qty h MET 65 Cb 0.25 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.91 2qty h MET 65 CO -0.24 1.15 0.15 1.15 1.06 0.00 0.00 176.91 180.18 2qty h THR 66 N 0.50 0.64 -0.53 2.22 2.02 -0.84 0.38 112.91 117.31 2qty h THR 66 Ca -0.03 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 2qty h THR 66 Cb 1.29 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2qty h THR 66 CO 0.14 0.05 -0.09 0.03 0.37 0.00 0.00 175.52 176.02 2qty h ARG 67 N 0.28 0.99 -0.49 6.66 3.08 -0.82 -1.74 114.38 122.36 2qty h ARG 67 Ca 0.33 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2qty h ARG 67 Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2qty h ARG 67 CO -0.40 1.04 -0.14 0.00 -1.07 0.00 0.00 179.97 179.39 2qty h ALA 68 N 0.92 0.83 -0.30 0.04 0.00 -0.88 0.75 119.26 120.61 2qty h ALA 68 Ca 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qty h ALA 68 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qty h ALA 68 CO 0.05 0.65 0.18 1.25 0.00 0.00 0.00 179.25 181.38 2qty h LEU 69 N 0.82 0.36 -0.53 0.00 6.46 -0.64 -1.97 115.31 119.81 2qty h LEU 69 Ca 0.12 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 2qty h LEU 69 Cb 0.69 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2qty h LEU 69 CO 0.05 0.31 0.01 0.58 -0.62 0.00 0.00 178.44 178.76 2qty h VAL 70 N 0.38 1.26 -0.81 1.05 2.07 -1.14 -2.41 116.25 116.65 2qty h VAL 70 Ca 0.11 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.64 2qty h VAL 70 Cb 0.01 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2qty h VAL 70 CO -0.02 0.38 0.46 1.56 0.02 0.00 0.00 177.57 179.97 2qty h GLN 71 N 0.80 0.74 -0.32 1.57 1.08 -0.61 -0.36 115.11 118.01 2qty h GLN 71 Ca 0.15 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2qty h GLN 71 Cb 0.52 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2qty h GLN 71 CO 0.03 0.49 0.01 1.03 -0.95 0.00 0.00 178.83 179.43 2qty h SER 72 N 0.77 0.55 -0.47 1.46 0.87 -0.99 0.58 113.55 116.31 2qty h SER 72 Ca 0.40 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2qty h SER 72 Cb 0.38 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2qty h SER 72 CO -0.25 0.71 0.24 -0.07 -0.53 0.00 0.00 176.83 176.93 2qty h LEU 73 N 0.36 0.60 -0.69 2.23 3.38 -1.05 -1.14 115.31 118.99 2qty h LEU 73 Ca 0.09 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qty h LEU 73 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2qty h LEU 73 CO 0.02 0.54 0.15 -0.07 0.09 0.00 0.00 178.44 179.16 2qty h LEU 74 N 0.61 1.07 -0.54 1.67 3.38 -0.93 0.38 115.31 120.95 2qty h LEU 74 Ca 0.16 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2qty h LEU 74 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2qty h LEU 74 CO -0.02 1.04 -0.12 0.00 0.09 0.00 0.00 178.44 179.43 2qty h ALA 75 N 1.07 0.75 0.00 1.53 0.00 -0.48 -3.29 119.26 118.83 2qty h ALA 75 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qty h ALA 75 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qty h ALA 75 CO 0.01 0.67 -1.28 1.63 0.00 0.00 0.00 179.25 180.28 2qty n LYS 76 N -4.15 0.36 -2.95 0.00 4.76 -0.47 -4.99 118.16 110.73 2qty n LYS 76 Ca 0.01 -0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.17 2qty n LYS 76 Cb 0.41 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.14 2qty n LYS 76 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qty n GLU 77 N -1.72 -4.14 0.00 1.97 1.02 0.13 -4.91 120.64 113.00 2qty n GLU 77 Ca 0.01 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2qty n GLU 77 Cb 0.39 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 2qty n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qty n ALA 78 N -3.28 0.00 -1.99 0.62 0.00 -1.15 -5.04 120.51 109.66 2qty n ALA 78 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2qty n ALA 78 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2qty n ALA 78 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2qty s PHE 79 N -2.00 2.14 -0.25 0.00 5.36 -1.26 -4.35 117.98 117.61 2qty s PHE 79 Ca 0.00 0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2qty s PHE 79 Cb 0.00 -3.92 0.07 0.00 -0.34 0.00 0.00 43.02 38.84 2qty s PHE 79 CO 0.00 -3.80 0.03 0.34 -1.46 0.00 0.00 175.22 170.33 2qty s ASP 80 N 3.02 3.66 0.27 6.13 -1.08 -1.26 -5.04 116.67 122.37 2qty s ASP 80 Ca 0.73 -1.26 -0.02 0.00 -0.52 0.00 0.00 52.55 51.48 2qty s ASP 80 Cb -0.35 -0.92 0.37 0.00 -1.46 0.00 0.00 42.92 40.56 2qty s ASP 80 CO 0.30 -0.32 1.84 1.05 0.52 0.00 0.00 175.17 178.56 2qty h GLU 81 N 8.07 0.92 -0.26 4.34 9.09 -1.98 0.16 114.58 134.91 2qty h GLU 81 Ca -0.15 -0.16 -0.08 0.00 0.05 0.00 0.00 59.36 59.02 2qty h GLU 81 Cb 1.07 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 2qty h GLU 81 CO 0.41 0.77 -0.14 0.28 0.05 0.00 0.00 179.01 180.38 2qty h VAL 82 N 0.89 1.30 -0.41 -1.06 2.07 -1.98 -0.29 116.25 116.77 2qty h VAL 82 Ca 0.21 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2qty h VAL 82 Cb 0.22 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2qty h VAL 82 CO -0.01 0.39 -0.06 -0.78 0.02 0.00 0.00 177.57 177.12 2qty h ASP 83 N 0.29 0.76 -0.29 0.57 3.58 -1.93 -1.62 116.42 117.79 2qty h ASP 83 Ca 0.06 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 57.10 2qty h ASP 83 Cb 0.66 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2qty h ASP 83 CO 0.04 0.93 -0.07 -0.03 -2.88 0.00 0.00 179.24 177.23 2qty h MET 84 N 0.58 0.56 -0.50 0.28 4.05 -0.90 -0.62 114.93 118.38 2qty h MET 84 Ca 0.11 -0.21 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 2qty h MET 84 Cb 0.58 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 2qty h MET 84 CO 0.03 0.76 0.24 0.00 0.23 0.00 0.00 176.91 178.18 2qty h ALA 85 N 0.78 0.63 -0.34 0.39 0.00 -0.96 -0.50 119.26 119.26 2qty h ALA 85 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2qty h ALA 85 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qty h ALA 85 CO 0.03 -0.11 -0.12 0.45 0.00 0.00 0.00 179.25 179.50 2qty h HIS 86 N 0.48 0.64 -0.46 0.00 -0.00 -1.15 -2.10 115.15 112.56 2qty h HIS 86 Ca 0.22 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 2qty h HIS 86 Cb 0.14 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2qty h HIS 86 CO -0.11 0.69 -0.11 0.00 -0.00 0.00 0.00 177.93 178.40 2qty h ARG 87 N 0.55 0.84 0.05 2.45 3.08 -0.36 0.01 114.38 121.00 2qty h ARG 87 Ca 0.10 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2qty h ARG 87 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2qty h ARG 87 CO 0.03 0.91 -0.02 0.74 -1.07 0.00 0.00 179.97 180.56 2qty h PHE 88 N 0.76 -0.06 -0.41 3.04 0.04 -0.85 -0.23 116.94 119.22 2qty h PHE 88 Ca 0.13 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.92 2qty h PHE 88 Cb 0.61 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2qty h PHE 88 CO 0.03 0.04 0.21 0.00 -0.60 0.00 0.00 178.31 178.00 2qty h ALA 89 N 0.79 0.51 -0.08 2.45 0.00 -1.21 -1.90 119.26 119.82 2qty h ALA 89 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2qty h ALA 89 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qty h ALA 89 CO 0.01 -0.15 -0.56 1.96 0.00 0.00 0.00 179.25 180.52 2qty h GLN 90 N 0.42 0.25 -0.47 0.00 1.08 -0.85 0.33 115.11 115.88 2qty h GLN 90 Ca 0.17 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2qty h GLN 90 Cb 0.07 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2qty h GLN 90 CO -0.12 0.74 0.04 1.49 -0.95 0.00 0.00 178.83 180.03 2qty h GLU 91 N 0.19 0.80 0.02 1.46 4.57 -0.82 0.78 114.58 121.57 2qty h GLU 91 Ca 0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2qty h GLU 91 Cb 1.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2qty h GLU 91 CO 0.09 0.83 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.82 2qty h TYR 92 N 0.66 -0.02 -0.56 0.92 3.20 -1.09 -0.92 116.97 119.16 2qty h TYR 92 Ca 0.14 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.09 2qty h TYR 92 Cb 0.45 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 2qty h TYR 92 CO 0.03 0.06 0.21 -0.22 -1.64 0.00 0.00 178.16 176.61 2qty h LYS 93 N -0.10 0.38 -0.65 1.82 3.64 -0.66 -1.27 116.57 119.73 2qty h LYS 93 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2qty h LYS 93 Cb 0.10 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2qty h LYS 93 CO 0.00 0.25 0.42 -0.22 -2.27 0.00 0.00 179.45 177.64 2qty h LYS 94 N 0.40 0.83 -1.68 1.90 3.64 -0.71 -3.39 116.57 117.56 2qty h LYS 94 Ca 0.27 -0.05 -0.43 0.00 -1.27 0.00 0.00 60.65 59.17 2qty h LYS 94 Cb 0.31 -0.19 -0.30 0.00 -0.41 0.00 0.00 32.23 31.64 2qty h LYS 94 CO -0.27 0.55 -0.83 -3.47 -2.27 0.00 0.00 179.45 173.16 2qty n ASP 95 N -4.65 -1.36 0.07 4.20 2.03 -0.36 -5.01 116.55 111.47 2qty n ASP 95 Ca 0.06 -2.68 0.13 0.00 0.52 0.00 0.00 54.79 52.82 2qty n ASP 95 Cb 0.04 0.27 0.47 0.00 -0.72 0.00 0.00 41.12 41.18 2qty n ASP 95 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2qty n PRO 96 N 2.42 0.17 -0.37 -0.67 -0.04 -0.52 -4.07 135.00 131.93 2qty n PRO 96 Ca 0.23 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.88 2qty n PRO 96 Cb 0.53 -1.71 0.18 0.00 -0.04 0.00 0.00 33.50 32.46 2qty n PRO 96 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qty n ASP 97 N -2.01 2.91 0.00 3.54 8.00 -1.26 -4.30 116.55 123.42 2qty n ASP 97 Ca 0.06 -2.34 0.14 0.00 0.71 0.00 0.00 54.79 53.36 2qty n ASP 97 Cb 0.39 -0.51 0.86 0.00 -0.02 0.00 0.00 41.12 41.84 2qty n ASP 97 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qty n ARG 98 N 0.33 0.97 -0.96 -1.24 5.12 -1.26 -4.84 116.66 114.79 2qty n ARG 98 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2qty n ARG 98 Cb 0.61 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 2qty n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qty n GLY 99 N 0.91 1.07 3.78 -0.13 0.00 -1.26 -1.86 105.19 107.69 2qty n GLY 99 Ca 0.22 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2qty n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qty s TYR 100 N -2.31 2.68 0.73 1.61 2.02 -1.26 -4.53 117.35 116.29 2qty s TYR 100 Ca 0.00 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.14 2qty s TYR 100 Cb 0.00 -3.21 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2qty s TYR 100 CO 0.00 -1.57 1.07 0.20 -1.57 0.00 0.00 175.55 173.68 2qty s GLY 101 N -2.22 1.67 0.28 0.71 0.00 -1.26 -4.95 107.32 101.55 2qty s GLY 101 Ca 0.69 0.16 0.03 0.00 0.00 0.00 0.00 44.72 45.61 2qty s GLY 101 CO 0.34 0.49 1.69 0.00 0.00 0.00 0.00 173.10 175.62 2qty h ALA 102 N -0.91 1.06 -0.03 3.20 0.00 -2.02 -3.13 119.26 117.44 2qty h ALA 102 Ca -0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2qty h ALA 102 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qty h ALA 102 CO 0.54 0.58 0.00 0.78 0.00 0.00 0.00 179.25 181.15 2qty h GLY 103 N 1.08 0.06 2.00 0.00 0.00 -2.02 -3.19 103.07 101.00 2qty h GLY 103 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2qty h GLY 103 CO 0.06 0.04 -0.22 -0.24 0.00 0.00 0.00 176.54 176.18 2qty h VAL 104 N -0.23 1.05 -0.33 4.60 3.04 -1.91 -2.60 116.25 119.87 2qty h VAL 104 Ca 0.01 -0.80 0.01 0.00 -1.01 0.00 0.00 66.70 64.91 2qty h VAL 104 Cb 0.31 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 2qty h VAL 104 CO 0.00 0.22 0.22 0.40 -1.01 0.00 0.00 177.57 177.40 2qty h ILE 105 N 0.00 1.06 -0.76 3.17 2.04 -1.52 -0.88 117.51 120.62 2qty h ILE 105 Ca -0.00 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2qty h ILE 105 Cb 0.43 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2qty h ILE 105 CO 0.03 0.07 0.24 0.74 0.00 0.00 0.00 178.15 179.23 2qty h THR 106 N 0.40 1.26 -0.21 -0.27 2.02 -1.60 -1.26 112.91 113.25 2qty h THR 106 Ca 0.12 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 2qty h THR 106 Cb 0.01 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2qty h THR 106 CO -0.03 0.36 0.13 0.58 0.37 0.00 0.00 175.52 176.93 2qty h VAL 107 N 1.12 1.08 -0.97 3.16 2.07 -1.29 -2.52 116.25 118.91 2qty h VAL 107 Ca 0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2qty h VAL 107 Cb 0.31 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2qty h VAL 107 CO -0.01 0.08 0.63 -0.26 0.02 0.00 0.00 177.57 178.03 2qty h PHE 108 N 0.26 1.24 -0.48 1.57 0.04 -0.91 -0.31 116.94 118.36 2qty h PHE 108 Ca 0.08 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.78 2qty h PHE 108 Cb 0.02 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 37.73 2qty h PHE 108 CO -0.05 0.79 -0.03 0.87 -0.60 0.00 0.00 178.31 179.29 2qty h LYS 109 N 1.32 0.81 -0.29 1.51 1.57 -1.11 -1.45 116.57 118.94 2qty h LYS 109 Ca 0.35 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 2qty h LYS 109 Cb -0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2qty h LYS 109 CO -0.07 0.84 -0.38 0.87 -0.57 0.00 0.00 179.45 180.14 2qty h LYS 110 N 0.75 0.68 0.00 3.15 1.57 -1.02 -2.49 116.57 119.22 2qty h LYS 110 Ca 0.14 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 2qty h LYS 110 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qty h LYS 110 CO 0.03 0.95 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.43 2qty h LEU 111 N 0.57 0.00 -0.00 2.94 3.38 -0.72 -2.50 115.31 118.97 2qty h LEU 111 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qty h LEU 111 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2qty h LEU 111 CO 0.08 0.36 -0.07 0.18 0.09 0.00 0.00 178.44 179.07 2qty n LEU 112 N -3.85 0.08 -4.68 1.67 4.77 -0.57 -4.84 117.00 109.59 2qty n LEU 112 Ca -0.01 0.41 -0.47 0.00 -0.03 0.00 0.00 56.01 55.90 2qty n LEU 112 Cb 0.43 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2qty n LEU 112 CO 0.37 0.02 1.39 -3.20 -1.33 0.00 0.00 177.39 174.64 2qty n ASN 113 N -1.48 3.32 0.32 -1.43 2.85 -0.94 -4.86 115.26 113.04 2qty n ASN 113 Ca 0.07 1.01 0.19 0.00 -0.11 0.00 0.00 54.58 55.74 2qty n ASN 113 Cb 0.33 -1.39 1.05 0.00 1.24 0.00 0.00 39.78 41.01 2qty n ASN 113 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qty h PRO 114 N 8.07 0.00 -0.09 1.20 0.13 -1.89 -1.60 132.00 137.83 2qty h PRO 114 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qty h PRO 114 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qty h PRO 114 CO 0.93 0.01 0.00 0.36 -0.23 0.00 0.00 178.00 179.07 2qty n LYS 115 N -3.44 1.36 -2.60 0.86 2.85 -1.26 -4.90 118.16 111.03 2qty n LYS 115 Ca -0.03 -0.54 -0.43 0.00 -1.05 0.00 0.00 58.31 56.26 2qty n LYS 115 Cb 0.09 -1.33 -0.02 0.00 -0.65 0.00 0.00 35.03 33.13 2qty n LYS 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qty n ARG 117 N 6.61 0.35 -3.76 0.00 1.74 -1.26 -4.87 116.66 115.47 2qty n ARG 117 Ca 0.12 -0.08 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 2qty n ARG 117 Cb 0.46 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.59 2qty n ARG 117 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2qty s ASP 118 N -2.95 5.28 0.00 0.55 2.15 -1.26 -4.96 116.67 115.48 2qty s ASP 118 Ca -0.03 -1.71 0.15 0.00 0.43 0.00 0.00 52.55 51.39 2qty s ASP 118 Cb 0.05 -1.85 0.66 0.00 -0.30 0.00 0.00 42.92 41.49 2qty s ASP 118 CO 0.35 -0.48 1.50 1.33 -0.17 0.00 0.00 175.17 177.70 2qty n VAL 119 N 4.69 0.93 0.58 1.11 0.24 -1.26 -1.25 118.33 123.37 2qty n VAL 119 Ca -0.07 0.23 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 2qty n VAL 119 Cb 0.42 -0.97 0.19 0.00 -1.47 0.00 0.00 33.84 32.02 2qty n VAL 119 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qty n TYR 120 N -1.50 0.57 -0.10 6.34 4.02 -1.26 -4.54 117.16 120.70 2qty n TYR 120 Ca 0.04 0.17 -0.10 0.00 -0.01 0.00 0.00 57.90 57.99 2qty n TYR 120 Cb 0.18 -0.67 -0.03 0.00 -0.02 0.00 0.00 39.34 38.80 2qty n TYR 120 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2qty h GLU 121 N 0.00 0.46 -0.66 -0.72 4.22 -1.55 -2.23 114.58 114.10 2qty h GLU 121 Ca 0.00 -0.11 0.10 0.00 0.08 0.00 0.00 59.36 59.44 2qty h GLU 121 Cb 0.74 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 2qty h GLU 121 CO 0.00 0.53 0.27 -1.35 -2.18 0.00 0.00 179.01 176.28 2qty h PRO 122 N 0.31 0.45 -0.56 0.92 0.11 -1.80 -1.68 132.00 129.75 2qty h PRO 122 Ca 0.09 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 2qty h PRO 122 Cb 0.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 2qty h PRO 122 CO -0.00 0.30 0.02 0.00 -0.21 0.00 0.00 178.00 178.11 2qty h ALA 123 N 1.44 0.98 -0.52 -0.75 0.00 -1.76 -2.78 119.26 115.89 2qty h ALA 123 Ca 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qty h ALA 123 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2qty h ALA 123 CO -0.31 0.62 0.29 0.00 0.00 0.00 0.00 179.25 179.85 2qty h ARG 124 N 0.87 0.70 0.00 0.00 3.08 -0.75 -2.75 114.38 115.54 2qty h ARG 124 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qty h ARG 124 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qty h ARG 124 CO 0.02 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 2qty n ALA 125 N -2.46 1.97 -1.76 0.04 0.00 -0.69 -3.90 120.51 113.71 2qty n ALA 125 Ca 0.04 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 2qty n ALA 125 Cb 0.09 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.15 2qty n ALA 125 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qty s GLN 126 N -3.18 3.21 -1.27 0.00 -1.52 -1.03 -2.53 119.66 113.34 2qty s GLN 126 Ca 0.08 1.99 -0.07 0.00 -1.95 0.00 0.00 55.36 55.40 2qty s GLN 126 Cb 0.11 -2.17 -0.01 0.00 -0.22 0.00 0.00 33.01 30.72 2qty s GLN 126 CO 0.48 -1.06 0.65 1.19 -0.25 0.00 0.00 175.29 176.31 2qty n PHE 127 N -1.11 -1.85 -3.78 0.91 3.01 -1.26 -0.30 117.46 113.07 2qty n PHE 127 Ca 0.11 0.68 -0.29 0.00 1.01 0.00 0.00 57.45 58.96 2qty n PHE 127 Cb 0.47 -3.87 0.03 0.00 -0.01 0.00 0.00 39.48 36.11 2qty n PHE 127 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2qty n ASN 128 N -2.92 -4.98 0.00 4.37 5.03 -1.20 -1.49 115.26 114.08 2qty n ASN 128 Ca -0.22 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.53 2qty n ASN 128 Cb 0.65 -3.98 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 2qty n ASN 128 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qty n GLY 129 N -1.67 0.76 0.09 7.41 0.00 -0.80 -4.91 105.19 106.07 2qty n GLY 129 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2qty n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qty n LYS 130 N -2.04 0.63 0.00 1.61 5.02 -0.55 -4.80 118.16 118.02 2qty n LYS 130 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2qty n LYS 130 Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2qty n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qty n GLY 131 N 1.30 -1.17 3.78 0.72 0.00 0.58 -3.65 105.19 106.75 2qty n GLY 131 Ca -0.06 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 2qty n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qty s SER 132 N -2.71 7.38 -0.10 1.61 0.15 -1.26 -4.33 113.70 114.44 2qty s SER 132 Ca 0.00 1.86 0.14 0.00 0.70 0.00 0.00 55.95 58.65 2qty s SER 132 Cb 0.00 -2.58 0.39 0.00 -1.71 0.00 0.00 66.02 62.12 2qty s SER 132 CO 0.00 -0.04 1.31 0.00 1.20 0.00 0.00 173.24 175.71 2qty n TYR 133 N 0.71 0.62 -0.94 3.44 0.18 -1.26 -2.97 117.16 116.93 2qty n TYR 133 Ca 0.01 -0.73 -0.28 0.00 1.88 0.00 0.00 57.90 58.78 2qty n TYR 133 Cb 0.50 -0.18 0.21 0.00 -0.38 0.00 0.00 39.34 39.48 2qty n TYR 133 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2qty s GLY 134 N -1.63 1.55 0.00 -7.48 0.00 -1.26 -1.34 107.32 97.15 2qty s GLY 134 Ca 0.32 -0.35 0.10 0.00 0.00 0.00 0.00 44.72 44.79 2qty s GLY 134 CO 0.10 0.33 1.26 1.16 0.00 0.00 0.00 173.10 175.95 2qty n ASN 135 N -4.51 1.51 0.22 1.64 0.23 0.37 -4.16 115.26 110.55 2qty n ASN 135 Ca 0.05 -1.95 0.05 0.00 -0.53 0.00 0.00 54.58 52.20 2qty n ASN 135 Cb 0.57 -0.18 0.51 0.00 -2.08 0.00 0.00 39.78 38.60 2qty n ASN 135 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2qty h GLY 136 N 5.33 0.02 1.17 4.83 0.00 -1.93 -0.62 103.07 111.88 2qty h GLY 136 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2qty h GLY 136 CO 0.00 0.01 -0.08 -1.33 0.00 0.00 0.00 176.54 175.14 2qty h GLY 137 N 0.48 1.06 1.56 4.60 0.00 -1.86 -3.32 103.07 105.59 2qty h GLY 137 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 47.33 46.32 2qty h GLY 137 CO 0.02 0.75 -0.78 0.00 0.00 0.00 0.00 176.54 176.53 2qty h ALA 138 N 1.02 0.53 0.00 3.60 0.00 -1.70 -3.31 119.26 119.39 2qty h ALA 138 Ca 0.14 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qty h ALA 138 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qty h ALA 138 CO 0.04 0.77 -0.02 0.00 0.00 0.00 0.00 179.25 180.04 2qty h MET 139 N 0.28 0.00 -0.16 0.00 3.00 -1.23 -2.85 114.93 113.97 2qty h MET 139 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.66 2qty h MET 139 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.97 2qty h MET 139 CO 0.14 0.02 0.00 2.89 0.00 0.00 0.00 176.91 179.96 2qty n ARG 140 N -3.83 1.67 0.01 -0.10 1.85 -1.25 -4.79 116.66 110.21 2qty n ARG 140 Ca -0.03 -1.54 0.13 0.00 -1.00 0.00 0.00 57.85 55.41 2qty n ARG 140 Cb 0.11 -1.20 0.34 0.00 -1.05 0.00 0.00 32.46 30.65 2qty n ARG 140 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2qty n VAL 141 N 0.44 0.03 -0.31 8.89 3.14 -1.08 -4.16 118.33 125.28 2qty n VAL 141 Ca 0.08 -0.02 0.16 0.00 -2.96 0.00 0.00 64.34 61.59 2qty n VAL 141 Cb 0.32 0.03 0.40 0.00 -1.06 0.00 0.00 33.84 33.53 2qty n VAL 141 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qty h ALA 142 N 2.96 1.91 -0.72 1.55 0.00 -1.87 0.68 119.26 123.78 2qty h ALA 142 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2qty h ALA 142 Cb 0.52 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2qty h ALA 142 CO 0.00 -0.25 0.47 0.78 0.00 0.00 0.00 179.25 180.26 2qty h GLY 143 N 0.62 0.80 0.99 0.00 0.00 -1.92 -0.24 103.07 103.32 2qty h GLY 143 Ca 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2qty h GLY 143 CO -0.29 0.12 0.35 -2.22 0.00 0.00 0.00 176.54 174.50 2qty h ILE 144 N 0.54 1.19 0.00 2.60 1.08 -1.15 -0.61 117.51 121.16 2qty h ILE 144 Ca 0.34 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 2qty h ILE 144 Cb 0.58 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2qty h ILE 144 CO -0.11 0.20 -0.22 0.28 -0.69 0.00 0.00 178.15 177.61 2qty h SER 145 N 0.82 0.00 0.63 1.72 0.02 -1.11 -0.83 113.55 114.80 2qty h SER 145 Ca 0.22 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.97 2qty h SER 145 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2qty h SER 145 CO -0.04 0.22 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.91 2qty h LEU 146 N 0.00 0.22 0.01 5.07 3.38 -0.77 -3.35 115.31 119.87 2qty h LEU 146 Ca -0.00 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 2qty h LEU 146 Cb 0.70 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2qty h LEU 146 CO 0.03 0.99 -1.40 0.00 0.09 0.00 0.00 178.44 178.15 2qty h ALA 147 N 0.99 0.54 -3.15 1.53 0.00 -0.57 -3.44 119.26 115.16 2qty h ALA 147 Ca -0.04 -1.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.00 2qty h ALA 147 Cb 1.52 0.20 -0.34 0.00 0.00 0.00 0.00 17.79 19.17 2qty h ALA 147 CO 0.13 1.40 -0.87 0.71 0.00 0.00 0.00 179.25 180.63 2qty s TYR 148 N -2.65 2.68 -0.27 0.00 1.51 -0.37 -4.88 117.35 113.37 2qty s TYR 148 Ca -0.03 -1.44 0.22 0.00 -1.01 0.00 0.00 57.07 54.81 2qty s TYR 148 Cb 0.09 -1.84 -0.17 0.00 -0.11 0.00 0.00 41.96 39.93 2qty s TYR 148 CO 0.83 -0.68 0.76 -1.13 -1.11 0.00 0.00 175.55 174.22 2qty n SER 149 N 4.27 0.41 -4.80 2.29 3.41 -1.26 -4.63 113.62 113.30 2qty n SER 149 Ca -0.20 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 57.98 2qty n SER 149 Cb 0.51 1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 65.70 2qty n SER 149 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qty s SER 150 N -4.48 7.15 0.33 4.04 1.04 -1.26 -4.96 113.70 115.56 2qty s SER 150 Ca -0.03 1.39 0.02 0.00 0.48 0.00 0.00 55.95 57.81 2qty s SER 150 Cb 0.13 -2.41 0.60 0.00 0.10 0.00 0.00 66.02 64.45 2qty s SER 150 CO 0.86 0.22 1.96 1.62 0.98 0.00 0.00 173.24 178.88 2qty h VAL 151 N 3.35 1.11 -0.21 5.02 3.04 -1.99 -0.40 116.25 126.16 2qty h VAL 151 Ca -0.49 -0.32 0.03 0.00 -1.01 0.00 0.00 66.70 64.91 2qty h VAL 151 Cb 1.21 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 2qty h VAL 151 CO 0.64 0.17 0.04 1.56 -1.01 0.00 0.00 177.57 178.98 2qty h GLN 152 N 0.93 0.13 -0.51 4.17 4.20 -1.99 -0.31 115.11 121.72 2qty h GLN 152 Ca 0.31 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 2qty h GLN 152 Cb 0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2qty h GLN 152 CO -0.09 0.08 -0.13 -0.44 -0.67 0.00 0.00 178.83 177.57 2qty h ASP 153 N 0.13 1.00 -0.37 1.46 3.32 -1.85 -1.30 116.42 118.81 2qty h ASP 153 Ca 0.10 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.83 2qty h ASP 153 Cb 0.09 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 2qty h ASP 153 CO -0.13 1.14 0.12 0.58 -1.72 0.00 0.00 179.24 179.23 2qty h VAL 154 N 0.86 0.87 -0.55 -1.35 2.07 -0.77 -0.31 116.25 117.08 2qty h VAL 154 Ca 0.13 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2qty h VAL 154 Cb 0.70 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2qty h VAL 154 CO 0.05 0.05 0.08 1.56 0.02 0.00 0.00 177.57 179.33 2qty h GLN 155 N 0.27 0.91 -0.18 1.57 4.20 -0.90 -0.45 115.11 120.54 2qty h GLN 155 Ca 0.17 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2qty h GLN 155 Cb 0.16 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2qty h GLN 155 CO -0.19 0.89 0.00 -0.22 -0.67 0.00 0.00 178.83 178.65 2qty h LYS 156 N 0.80 0.31 0.00 1.46 3.64 -0.78 -1.75 116.57 120.25 2qty h LYS 156 Ca 0.16 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2qty h LYS 156 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2qty h LYS 156 CO 0.01 0.52 -1.12 0.74 -2.27 0.00 0.00 179.45 177.33 2qty h PHE 157 N 0.07 0.00 -0.51 1.91 -1.00 -1.09 -1.48 116.94 114.85 2qty h PHE 157 Ca 0.05 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.89 2qty h PHE 157 Cb 0.37 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.88 2qty h PHE 157 CO 0.03 0.52 0.22 0.00 -1.61 0.00 0.00 178.31 177.47 2qty h ALA 158 N 1.48 0.63 -0.03 2.45 0.00 -1.11 0.16 119.26 122.84 2qty h ALA 158 Ca -0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qty h ALA 158 Cb 1.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2qty h ALA 158 CO 0.05 -0.16 0.00 -0.09 0.00 0.00 0.00 179.25 179.05 2qty h ARG 159 N 0.42 0.06 -0.28 0.00 2.43 -1.12 -1.87 114.38 114.02 2qty h ARG 159 Ca 0.23 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2qty h ARG 159 Cb 0.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2qty h ARG 159 CO -0.20 0.33 0.05 -0.07 -1.51 0.00 0.00 179.97 178.56 2qty h LEU 160 N -0.23 0.43 -0.75 3.80 3.38 -1.26 0.11 115.31 120.80 2qty h LEU 160 Ca 0.01 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2qty h LEU 160 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2qty h LEU 160 CO 0.00 0.58 0.50 0.77 0.09 0.00 0.00 178.44 180.37 2qty h SER 161 N 0.27 0.86 -0.86 -0.43 4.64 -0.98 -2.60 113.55 114.44 2qty h SER 161 Ca 0.08 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2qty h SER 161 Cb 0.32 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2qty h SER 161 CO 0.00 0.62 0.48 0.00 -0.87 0.00 0.00 176.83 177.06 2qty h ALA 162 N 1.28 1.21 0.00 5.18 0.00 -0.97 -2.96 119.26 123.00 2qty h ALA 162 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qty h ALA 162 Cb -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.33 2qty h ALA 162 CO -0.06 0.64 0.00 1.04 0.00 0.00 0.00 179.25 180.87 2qty n GLN 163 N -4.34 0.09 0.27 0.00 6.02 -0.01 -0.17 117.38 119.24 2qty n GLN 163 Ca 0.09 0.32 0.14 0.00 -0.01 0.00 0.00 57.00 57.55 2qty n GLN 163 Cb 0.09 -1.66 0.77 0.00 1.02 0.00 0.00 30.24 30.46 2qty n GLN 163 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2qty h LEU 164 N 0.00 0.00 0.00 1.08 3.38 -1.44 -3.35 115.31 114.98 2qty h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qty h LEU 164 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qty h LEU 164 CO 0.00 0.09 -0.58 0.35 0.09 0.00 0.00 178.44 178.39 2qty n THR 165 N -3.49 0.00 -3.74 0.22 -2.24 -0.53 -4.45 114.28 100.05 2qty n THR 165 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2qty n THR 165 Cb 0.24 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 67.97 2qty n THR 165 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qty s HIS 166 N -1.47 2.07 -0.37 4.78 3.76 0.76 -4.63 115.29 120.18 2qty s HIS 166 Ca 0.00 -2.38 0.23 0.00 -0.15 0.00 0.00 55.06 52.76 2qty s HIS 166 Cb 0.00 -1.95 0.23 0.00 1.11 0.00 0.00 32.58 31.97 2qty s HIS 166 CO 0.00 -0.80 1.42 0.00 -0.85 0.00 0.00 174.74 174.50 2qty h ALA 167 N 6.97 0.83 -2.85 -1.40 0.00 -1.74 -3.33 119.26 117.73 2qty h ALA 167 Ca -0.03 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 2qty h ALA 167 Cb 0.94 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.79 2qty h ALA 167 CO 0.49 0.00 0.62 0.45 0.00 0.00 0.00 179.25 180.81 2qty s SER 168 N -5.90 6.85 0.50 0.00 0.15 -1.16 -4.81 113.70 109.33 2qty s SER 168 Ca 0.04 2.61 0.16 0.00 0.70 0.00 0.00 55.95 59.46 2qty s SER 168 Cb 0.07 -2.64 1.21 0.00 -1.71 0.00 0.00 66.02 62.94 2qty s SER 168 CO 0.71 -0.48 2.11 0.77 1.20 0.00 0.00 173.24 177.55 2qty h SER 169 N 3.63 0.09 -0.05 5.45 4.64 -1.87 0.73 113.55 126.17 2qty h SER 169 Ca -0.48 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2qty h SER 169 Cb 1.22 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2qty h SER 169 CO 0.67 0.06 0.01 -0.07 -0.87 0.00 0.00 176.83 176.63 2qty h LEU 170 N 0.11 0.11 0.00 5.97 3.38 -1.91 0.40 115.31 123.36 2qty h LEU 170 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2qty h LEU 170 Cb 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qty h LEU 170 CO -0.01 0.13 -0.19 1.23 0.09 0.00 0.00 178.44 179.69 2qty h GLY 171 N 0.26 0.00 1.85 0.83 0.00 -1.07 -3.33 103.07 101.61 2qty h GLY 171 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2qty h GLY 171 CO -0.00 0.00 -0.50 0.10 0.00 0.00 0.00 176.54 176.14 2qty h TYR 172 N -1.00 0.20 0.00 5.60 -0.00 -1.03 -2.16 116.97 118.58 2qty h TYR 172 Ca -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 58.73 58.57 2qty h TYR 172 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.48 2qty h TYR 172 CO 0.17 0.64 -0.26 -0.91 -0.00 0.00 0.00 178.16 177.80 2qty h ASN 173 N 0.13 0.00 -0.30 0.10 2.35 -0.41 -0.64 115.58 116.82 2qty h ASN 173 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2qty h ASN 173 Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 2qty h ASN 173 CO 0.07 0.26 -0.48 1.23 -1.65 0.00 0.00 177.43 176.86 2qty h GLY 174 N 0.86 0.96 0.66 2.83 0.00 -1.51 -0.84 103.07 106.03 2qty h GLY 174 Ca -0.00 -1.06 0.06 0.00 0.00 0.00 0.00 47.33 46.33 2qty h GLY 174 CO 0.03 0.95 0.36 0.00 0.00 0.00 0.00 176.54 177.89 2qty h ALA 175 N 0.75 0.89 -0.64 3.60 0.00 -1.01 -1.32 119.26 121.53 2qty h ALA 175 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qty h ALA 175 Cb 1.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2qty h ALA 175 CO 0.11 0.03 0.23 0.82 0.00 0.00 0.00 179.25 180.44 2qty h ILE 176 N 0.66 1.24 -0.25 0.00 2.04 -0.91 -1.04 117.51 119.25 2qty h ILE 176 Ca 0.30 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2qty h ILE 176 Cb 0.20 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2qty h ILE 176 CO -0.19 0.31 0.08 0.25 0.00 0.00 0.00 178.15 178.60 2qty h LEU 177 N 0.91 0.37 -0.29 1.44 5.85 -0.84 0.92 115.31 123.67 2qty h LEU 177 Ca 0.21 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qty h LEU 177 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2qty h LEU 177 CO -0.01 0.47 0.19 -0.61 -0.34 0.00 0.00 178.44 178.15 2qty h GLN 178 N 0.25 0.39 -0.81 1.25 5.75 -1.14 -0.22 115.11 120.57 2qty h GLN 178 Ca 0.08 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2qty h GLN 178 Cb 0.24 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2qty h GLN 178 CO -0.00 0.26 0.52 0.00 -2.65 0.00 0.00 178.83 176.96 2qty h ALA 179 N 1.10 1.39 -0.26 3.38 0.00 -0.83 -1.03 119.26 123.01 2qty h ALA 179 Ca 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2qty h ALA 179 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2qty h ALA 179 CO -0.02 0.55 -0.40 -0.07 0.00 0.00 0.00 179.25 179.31 2qty h LEU 180 N 1.11 0.65 -0.27 0.00 3.38 -0.43 0.89 115.31 120.64 2qty h LEU 180 Ca 0.30 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qty h LEU 180 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2qty h LEU 180 CO -0.06 0.98 0.10 0.00 0.09 0.00 0.00 178.44 179.55 2qty h ALA 181 N 1.06 0.35 -0.32 1.53 0.00 -0.64 -0.20 119.26 121.03 2qty h ALA 181 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qty h ALA 181 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2qty h ALA 181 CO 0.08 -0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.68 2qty h VAL 182 N 0.28 1.19 -0.60 0.00 2.07 -1.08 -1.03 116.25 117.08 2qty h VAL 182 Ca 0.09 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.10 2qty h VAL 182 Cb 0.19 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2qty h VAL 182 CO -0.01 0.21 0.23 -0.74 0.02 0.00 0.00 177.57 177.29 2qty h HIS 183 N 0.37 0.41 -0.29 1.57 6.17 -0.65 -0.46 115.15 122.27 2qty h HIS 183 Ca 0.11 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.10 2qty h HIS 183 Cb 0.21 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 2qty h HIS 183 CO -0.00 0.12 -0.30 -0.07 0.71 0.00 0.00 177.93 178.39 2qty h LEU 184 N 0.42 0.63 -0.64 0.26 3.38 -0.82 -2.58 115.31 115.96 2qty h LEU 184 Ca 0.30 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2qty h LEU 184 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2qty h LEU 184 CO -0.29 0.89 0.24 0.00 0.09 0.00 0.00 178.44 179.37 2qty h ALA 185 N 1.15 0.84 0.00 1.53 0.00 -0.46 -2.44 119.26 119.88 2qty h ALA 185 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2qty h ALA 185 Cb 0.78 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qty h ALA 185 CO 0.06 0.47 -0.06 -0.07 0.00 0.00 0.00 179.25 179.66 2qty h LEU 186 N 0.91 0.00 -0.35 0.00 3.38 -0.99 -1.17 115.31 117.09 2qty h LEU 186 Ca 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2qty h LEU 186 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qty h LEU 186 CO -0.01 0.06 -0.28 1.56 0.09 0.00 0.00 178.44 179.85 2qty h GLN 187 N 0.00 0.00 -3.03 1.13 4.20 -1.05 -3.48 115.11 112.88 2qty h GLN 187 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2qty h GLN 187 Cb 0.11 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.94 2qty h GLN 187 CO 0.01 0.28 -0.19 0.41 -0.67 0.00 0.00 178.83 178.67 2qty n GLY 188 N 0.87 0.28 0.00 3.46 0.00 -0.44 -5.01 105.19 104.35 2qty n GLY 188 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2qty n GLY 188 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qty n VAL 189 N -1.79 0.00 -2.29 1.61 0.31 -1.14 -4.95 118.33 110.08 2qty n VAL 189 Ca -0.06 0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2qty n VAL 189 Cb 0.54 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2qty n VAL 189 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qty n SER 190 N 0.00 -4.98 -4.88 4.52 7.64 -1.26 -5.03 113.62 109.63 2qty n SER 190 Ca 0.00 -0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2qty n SER 190 Cb 0.00 -3.22 -0.04 0.00 -1.01 0.00 0.00 64.21 59.94 2qty n SER 190 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2qty s SER 191 N -2.46 6.57 0.16 6.43 1.04 -1.26 -5.01 113.70 119.16 2qty s SER 191 Ca 0.01 1.05 -0.15 0.00 0.48 0.00 0.00 55.95 57.34 2qty s SER 191 Cb -0.00 -2.28 0.03 0.00 0.10 0.00 0.00 66.02 63.86 2qty s SER 191 CO 0.39 -0.27 1.78 -1.28 0.98 0.00 0.00 173.24 174.83 2qty h SER 192 N 1.72 0.55 -0.52 7.02 0.87 -1.97 -0.96 113.55 120.27 2qty h SER 192 Ca -0.47 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.06 2qty h SER 192 Cb 1.18 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2qty h SER 192 CO 0.65 0.45 0.29 -0.08 -0.53 0.00 0.00 176.83 177.62 2qty h GLU 193 N 0.60 0.56 -0.02 2.24 4.81 -2.00 -1.99 114.58 118.78 2qty h GLU 193 Ca 0.16 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 2qty h GLU 193 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qty h GLU 193 CO -0.03 0.37 -0.78 0.45 -0.73 0.00 0.00 179.01 178.29 2qty h HIS 194 N 0.58 0.27 0.25 0.92 3.86 -1.93 -1.81 115.15 117.29 2qty h HIS 194 Ca 0.22 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2qty h HIS 194 Cb 0.07 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 2qty h HIS 194 CO -0.08 0.89 -0.14 0.35 0.86 0.00 0.00 177.93 179.81 2qty h PHE 195 N 0.12 -0.37 -0.31 2.45 3.57 -0.92 -2.05 116.94 119.42 2qty h PHE 195 Ca -0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2qty h PHE 195 Cb 1.36 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 2qty h PHE 195 CO 0.02 -0.23 0.10 -0.07 -2.23 0.00 0.00 178.31 175.91 2qty h LEU 196 N -0.37 0.10 -0.34 0.59 3.38 -1.36 -2.73 115.31 114.57 2qty h LEU 196 Ca -0.03 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2qty h LEU 196 Cb 0.30 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2qty h LEU 196 CO 0.04 0.09 -0.13 -0.33 0.09 0.00 0.00 178.44 178.20 2qty h GLU 197 N 0.23 -0.06 -0.57 1.13 5.08 -1.19 0.16 114.58 119.36 2qty h GLU 197 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2qty h GLU 197 Cb 0.12 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2qty h GLU 197 CO -0.15 -0.04 0.27 1.96 -1.00 0.00 0.00 179.01 180.05 2qty h GLN 198 N -0.06 0.82 -0.22 2.33 4.20 -1.32 0.88 115.11 121.74 2qty h GLN 198 Ca 0.17 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2qty h GLN 198 Cb 0.32 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2qty h GLN 198 CO -0.39 0.67 0.00 -0.07 -0.67 0.00 0.00 178.83 178.37 2qty h LEU 199 N 0.77 0.37 -0.58 1.46 3.38 -1.13 -2.14 115.31 117.45 2qty h LEU 199 Ca 0.20 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.96 2qty h LEU 199 Cb 0.12 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2qty h LEU 199 CO -0.02 0.59 0.16 0.25 0.09 0.00 0.00 178.44 179.51 2qty h LEU 200 N 0.15 0.10 -1.03 1.67 5.85 -0.37 -1.23 115.31 120.46 2qty h LEU 200 Ca 0.06 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2qty h LEU 200 Cb 0.39 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2qty h LEU 200 CO 0.01 0.07 0.64 1.23 -0.34 0.00 0.00 178.44 180.05 2qty h GLY 201 N 0.32 1.51 0.76 3.75 0.00 -0.51 -0.43 103.07 108.46 2qty h GLY 201 Ca 0.30 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2qty h GLY 201 CO -0.34 0.33 -0.36 0.45 0.00 0.00 0.00 176.54 176.62 2qty h HIS 202 N 1.16 0.54 -0.52 5.60 3.86 -0.63 -3.10 115.15 122.07 2qty h HIS 202 Ca 0.43 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2qty h HIS 202 Cb 0.18 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2qty h HIS 202 CO -0.00 0.97 0.01 0.52 0.86 0.00 0.00 177.93 180.28 2qty h MET 203 N -0.03 0.87 -0.97 2.45 2.07 -1.08 0.16 114.93 118.39 2qty h MET 203 Ca -0.02 -0.24 0.04 0.00 -2.07 0.00 0.00 59.70 57.42 2qty h MET 203 Cb 0.99 -0.10 -0.06 0.00 -1.87 0.00 0.00 31.60 30.56 2qty h MET 203 CO 0.08 0.86 0.64 0.93 1.07 0.00 0.00 176.91 180.48 2qty h GLU 204 N 0.81 1.17 -0.05 1.72 5.08 -1.10 0.20 114.58 122.41 2qty h GLU 204 Ca 0.15 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2qty h GLU 204 Cb 0.47 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qty h GLU 204 CO 0.02 0.77 -0.14 0.93 -1.00 0.00 0.00 179.01 179.59 2qty h GLU 205 N 1.20 0.18 -0.34 2.33 5.08 -1.36 -3.14 114.58 118.54 2qty h GLU 205 Ca 0.40 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2qty h GLU 205 Cb 0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2qty h GLU 205 CO -0.13 0.74 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.40 2qty h LEU 206 N -0.34 0.60 -0.10 1.33 3.38 -0.69 -2.82 115.31 116.68 2qty h LEU 206 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qty h LEU 206 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2qty h LEU 206 CO 0.03 0.77 0.00 -0.62 0.09 0.00 0.00 178.44 178.71 2qty n GLU 207 N -4.16 1.07 0.00 1.13 1.02 0.68 -3.00 120.64 117.37 2qty n GLU 207 Ca 0.01 -0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2qty n GLU 207 Cb 0.36 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.48 2qty n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qty n GLY 208 N 1.00 0.04 3.77 0.62 0.00 -1.06 -4.29 105.19 105.27 2qty n GLY 208 Ca 0.23 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2qty n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qty s ASP 209 N -2.34 6.91 0.28 1.61 1.01 -1.16 -4.91 116.67 118.07 2qty s ASP 209 Ca 0.24 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.61 2qty s ASP 209 Cb 0.19 -2.60 0.67 0.00 1.01 0.00 0.00 42.92 42.19 2qty s ASP 209 CO 0.48 -0.39 1.63 0.00 0.21 0.00 0.00 175.17 177.10 2qty h ALA 210 N 2.89 1.16 -0.77 5.23 0.00 -1.92 -1.20 119.26 124.65 2qty h ALA 210 Ca -0.48 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2qty h ALA 210 Cb 1.21 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2qty h ALA 210 CO 0.64 -0.49 0.27 0.37 0.00 0.00 0.00 179.25 180.04 2qty h GLN 211 N 0.14 1.18 -0.37 0.00 5.75 -1.95 0.69 115.11 120.54 2qty h GLN 211 Ca 0.53 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 2qty h GLN 211 Cb 1.07 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 2qty h GLN 211 CO -0.71 0.98 0.13 0.77 -2.65 0.00 0.00 178.83 177.35 2qty h SER 212 N 1.14 0.53 -0.21 -0.69 0.02 -1.53 -0.16 113.55 112.65 2qty h SER 212 Ca 0.25 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2qty h SER 212 Cb 0.28 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2qty h SER 212 CO -0.01 0.58 -0.12 0.58 -1.14 0.00 0.00 176.83 176.71 2qty h VAL 213 N 0.45 1.31 -0.21 2.27 2.07 -1.00 -2.21 116.25 118.93 2qty h VAL 213 Ca 0.12 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2qty h VAL 213 Cb 0.23 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2qty h VAL 213 CO -0.01 0.37 0.04 0.25 0.02 0.00 0.00 177.57 178.24 2qty h LEU 214 N 0.14 0.02 -0.69 2.57 5.85 -0.84 -1.86 115.31 120.50 2qty h LEU 214 Ca 0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2qty h LEU 214 Cb 0.62 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2qty h LEU 214 CO 0.03 0.04 0.37 0.44 -0.34 0.00 0.00 178.44 178.98 2qty h ASP 215 N 0.13 0.87 -0.06 1.25 3.32 -0.90 -2.06 116.42 118.97 2qty h ASP 215 Ca 0.09 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2qty h ASP 215 Cb 0.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2qty h ASP 215 CO -0.12 0.72 0.03 0.00 -1.72 0.00 0.00 179.24 178.15 2qty h ALA 216 N 1.18 0.08 -0.52 3.45 0.00 -1.25 -2.93 119.26 119.27 2qty h ALA 216 Ca 0.24 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2qty h ALA 216 Cb 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2qty h ALA 216 CO -0.04 -0.35 0.16 -0.22 0.00 0.00 0.00 179.25 178.80 2qty h LYS 217 N -0.04 0.32 0.00 0.00 1.63 -1.23 -0.97 116.57 116.28 2qty h LYS 217 Ca 0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2qty h LYS 217 Cb 0.14 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2qty h LYS 217 CO -0.00 0.21 0.00 0.39 -3.45 0.00 0.00 179.45 176.60 2qty n GLU 218 N -5.04 0.69 0.00 1.90 1.02 -0.78 -1.26 120.64 117.16 2qty n GLU 218 Ca 0.06 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 2qty n GLU 218 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 2qty n GLU 218 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qty n LEU 219 N -1.12 1.06 0.00 -4.62 7.99 -0.44 -5.01 117.00 114.86 2qty n LEU 219 Ca 0.18 -0.52 0.00 0.00 -0.01 0.00 0.00 56.01 55.66 2qty n LEU 219 Cb 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 2qty n LEU 219 CO 0.18 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.93 2qty n GLY 220 N 1.48 0.75 3.90 -0.72 0.00 -0.39 -5.07 105.19 105.15 2qty n GLY 220 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2qty n GLY 220 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qty s MET 221 N -0.43 3.56 -1.17 1.61 -1.94 -0.85 -4.99 119.30 115.08 2qty s MET 221 Ca 0.00 0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 54.10 2qty s MET 221 Cb 0.00 -2.37 0.22 0.00 2.01 0.00 0.00 34.83 34.70 2qty s MET 221 CO 0.00 -0.21 1.31 -0.85 -0.01 0.00 0.00 175.02 175.26 2qty n GLU 222 N -2.23 3.47 0.00 2.03 0.28 -1.26 -4.22 120.64 118.71 2qty n GLU 222 Ca 0.01 -4.12 0.00 0.00 -0.16 0.00 0.00 57.16 52.88 2qty n GLU 222 Cb 0.55 -2.81 0.00 0.00 1.43 0.00 0.00 31.44 30.61 2qty n GLU 222 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2qty n GLU 223 N 4.23 0.00 -3.88 3.44 0.28 -1.26 -4.64 120.64 118.80 2qty n GLU 223 Ca 0.31 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.06 2qty n GLU 223 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 2qty n GLU 223 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2qty n ARG 224 N 0.00 -4.03 -0.13 3.44 1.74 -1.26 -4.83 116.66 111.59 2qty n ARG 224 Ca 0.00 0.49 0.07 0.00 -0.77 0.00 0.00 57.85 57.64 2qty n ARG 224 Cb 0.00 -4.87 0.40 0.00 -1.02 0.00 0.00 32.46 26.97 2qty n ARG 224 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2qty h PRO 225 N -1.85 0.63 -0.04 5.56 0.13 -1.97 -0.08 132.00 134.38 2qty h PRO 225 Ca -0.62 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.35 2qty h PRO 225 Cb 1.37 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2qty h PRO 225 CO 0.62 0.42 -0.45 1.88 -0.23 0.00 0.00 178.00 180.24 2qty h TYR 226 N 0.65 0.54 -0.58 1.56 0.05 -1.92 -2.87 116.97 114.39 2qty h TYR 226 Ca 0.27 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2qty h TYR 226 Cb 0.25 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2qty h TYR 226 CO -0.00 1.04 0.19 0.77 -1.05 0.00 0.00 178.16 179.11 2qty h SER 227 N -0.12 0.84 0.02 3.88 0.02 -1.83 0.71 113.55 117.06 2qty h SER 227 Ca -0.04 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 2qty h SER 227 Cb 1.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2qty h SER 227 CO 0.09 0.82 -0.31 0.77 -1.14 0.00 0.00 176.83 177.06 2qty h SER 228 N 0.81 0.43 0.39 3.07 4.64 -1.11 -1.78 113.55 120.00 2qty h SER 228 Ca 0.19 -0.16 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2qty h SER 228 Cb 0.27 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2qty h SER 228 CO -0.01 0.72 -0.77 0.03 -0.87 0.00 0.00 176.83 175.93 2qty h ARG 229 N 0.37 0.30 -0.15 4.77 3.08 -1.22 -1.45 114.38 120.07 2qty h ARG 229 Ca 0.05 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.71 2qty h ARG 229 Cb 0.72 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2qty h ARG 229 CO 0.06 0.93 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.38 2qty h LEU 230 N 0.19 0.38 -0.51 3.04 3.38 -0.68 0.32 115.31 121.43 2qty h LEU 230 Ca -0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2qty h LEU 230 Cb 1.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2qty h LEU 230 CO 0.12 0.77 0.31 0.11 0.09 0.00 0.00 178.44 179.84 2qty h LYS 231 N 0.29 0.69 -0.64 1.13 1.57 -1.23 -2.62 116.57 115.76 2qty h LYS 231 Ca 0.02 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2qty h LYS 231 Cb 0.89 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2qty h LYS 231 CO 0.07 0.50 0.19 0.87 -0.57 0.00 0.00 179.45 180.51 2qty h LYS 232 N 0.68 0.99 -0.63 3.15 1.57 -0.32 -1.35 116.57 120.66 2qty h LYS 232 Ca 0.18 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2qty h LYS 232 Cb -0.01 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 2qty h LYS 232 CO -0.03 0.86 0.31 0.28 -0.57 0.00 0.00 179.45 180.30 2qty h VAL 233 N 0.95 0.90 -0.29 0.50 2.07 -0.31 0.26 116.25 120.34 2qty h VAL 233 Ca 0.21 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2qty h VAL 233 Cb 0.29 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2qty h VAL 233 CO -0.01 0.10 0.08 1.23 0.02 0.00 0.00 177.57 179.00 2qty h GLY 234 N 0.57 0.49 0.71 2.17 0.00 -1.00 0.55 103.07 106.56 2qty h GLY 234 Ca 0.29 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.35 2qty h GLY 234 CO -0.22 0.28 -0.05 0.83 0.00 0.00 0.00 176.54 177.38 2qty h GLU 235 N 0.31 -0.04 -0.87 4.80 5.08 -0.76 -0.41 114.58 122.69 2qty h GLU 235 Ca 0.09 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2qty h GLU 235 Cb 0.26 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2qty h GLU 235 CO -0.00 -0.03 0.56 -0.07 -1.00 0.00 0.00 179.01 178.47 2qty h LEU 236 N -0.04 0.90 -1.52 1.33 3.38 -0.29 -2.25 115.31 116.83 2qty h LEU 236 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qty h LEU 236 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2qty h LEU 236 CO -0.14 0.60 -0.23 -0.07 0.09 0.00 0.00 178.44 178.68 2qty h LEU 237 N 1.05 0.00 -0.02 1.67 3.38 -0.26 -1.92 115.31 119.22 2qty h LEU 237 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2qty h LEU 237 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qty h LEU 237 CO -0.14 0.23 -0.02 0.47 0.09 0.00 0.00 178.44 179.07 2qty n ASP 238 N -3.76 0.05 -4.76 -0.43 8.00 -0.22 -4.81 116.55 110.62 2qty n ASP 238 Ca -0.01 0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.14 2qty n ASP 238 Cb 0.34 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2qty n ASP 238 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2qty s GLN 239 N -2.73 4.49 0.11 -1.24 -0.21 -0.72 -4.99 119.66 114.38 2qty s GLN 239 Ca 0.23 1.06 -0.24 0.00 0.02 0.00 0.00 55.36 56.42 2qty s GLN 239 Cb 0.20 -3.33 -0.08 0.00 1.00 0.00 0.00 33.01 30.79 2qty s GLN 239 CO 0.49 0.37 1.67 -0.44 -2.12 0.00 0.00 175.29 175.27 2qty h ASP 240 N 5.29 -0.44 -3.61 5.90 5.19 -1.87 -3.42 116.42 123.46 2qty h ASP 240 Ca -0.45 0.06 -0.40 0.00 -0.62 0.00 0.00 57.03 55.62 2qty h ASP 240 Cb 1.21 0.18 -0.32 0.00 0.18 0.00 0.00 39.33 40.57 2qty h ASP 240 CO 0.69 -0.22 -0.77 -0.69 -3.12 0.00 0.00 179.24 175.13 2qty s VAL 241 N -6.13 0.58 -0.05 -1.35 1.01 -1.26 -5.13 120.40 108.07 2qty s VAL 241 Ca -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2qty s VAL 241 Cb 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2qty s VAL 241 CO 0.66 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 175.19 2qty s VAL 242 N 0.58 0.94 0.70 2.92 1.01 -1.26 -5.14 120.40 120.15 2qty s VAL 242 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2qty s VAL 242 Cb -0.11 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.40 2qty s VAL 242 CO 0.00 0.31 1.06 -0.94 0.00 0.00 0.00 175.10 175.54 2qty s SER 243 N 0.63 5.40 0.26 3.32 1.04 -1.26 -4.90 113.70 118.19 2qty s SER 243 Ca -0.12 1.47 -0.05 0.00 0.48 0.00 0.00 55.95 57.73 2qty s SER 243 Cb -0.14 -2.35 0.30 0.00 0.10 0.00 0.00 66.02 63.93 2qty s SER 243 CO 0.02 -1.41 1.93 0.03 0.98 0.00 0.00 173.24 174.79 2qty h ARG 244 N -0.70 1.28 -0.78 4.02 3.08 -2.00 -1.94 114.38 117.34 2qty h ARG 244 Ca -0.45 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 2qty h ARG 244 Cb 1.22 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 2qty h ARG 244 CO 0.59 0.84 0.48 0.93 -1.07 0.00 0.00 179.97 181.74 2qty h GLU 245 N 1.31 1.05 -0.69 0.04 3.07 -1.97 -1.05 114.58 116.34 2qty h GLU 245 Ca 0.37 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2qty h GLU 245 Cb -0.11 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.54 2qty h GLU 245 CO -0.09 0.74 0.38 1.49 -1.40 0.00 0.00 179.01 180.13 2qty h GLU 246 N 1.06 0.95 -0.11 2.33 4.81 -1.83 0.33 114.58 122.13 2qty h GLU 246 Ca 0.28 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2qty h GLU 246 Cb -0.05 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2qty h GLU 246 CO -0.05 0.71 0.05 0.28 -0.73 0.00 0.00 179.01 179.26 2qty h VAL 247 N 0.94 1.13 -0.66 0.32 2.07 -0.61 -1.03 116.25 118.42 2qty h VAL 247 Ca 0.24 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2qty h VAL 247 Cb 0.03 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2qty h VAL 247 CO -0.04 0.12 0.37 0.58 0.02 0.00 0.00 177.57 178.61 2qty h VAL 248 N 0.03 1.20 -0.88 2.57 2.07 -1.14 0.68 116.25 120.78 2qty h VAL 248 Ca 0.04 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2qty h VAL 248 Cb 0.15 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2qty h VAL 248 CO -0.00 0.22 0.57 -1.28 0.02 0.00 0.00 177.57 177.09 2qty h SER 249 N 0.89 1.03 0.36 0.57 0.87 -0.68 0.13 113.55 116.72 2qty h SER 249 Ca 0.23 -0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.43 2qty h SER 249 Cb 0.03 -0.26 0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2qty h SER 249 CO -0.04 0.77 -1.49 -0.33 -0.53 0.00 0.00 176.83 175.21 2qty h GLU 250 N 1.21 0.42 0.00 2.24 4.39 -0.79 -3.41 114.58 118.65 2qty h GLU 250 Ca 0.32 -0.72 -0.15 0.00 0.34 0.00 0.00 59.36 59.16 2qty h GLU 250 Cb -0.10 0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2qty h GLU 250 CO -0.07 1.33 -1.56 1.28 -1.16 0.00 0.00 179.01 178.83 2qty n LEU 251 N -3.62 0.00 0.00 1.33 4.77 0.20 -4.99 117.00 114.69 2qty n LEU 251 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2qty n LEU 251 Cb 1.08 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 2qty n LEU 251 CO 0.56 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2qty n GLY 252 N 2.47 1.07 2.53 -0.72 0.00 0.44 -4.37 105.19 106.61 2qty n GLY 252 Ca -0.13 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 2qty n GLY 252 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qty n ASN 253 N -0.28 0.02 -4.19 1.61 6.94 -0.64 -4.67 115.26 114.05 2qty n ASN 253 Ca 0.00 -2.10 -0.23 0.00 -0.02 0.00 0.00 54.58 52.23 2qty n ASN 253 Cb 0.00 0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 2qty n ASN 253 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qty n GLY 254 N -0.89 3.16 0.18 4.83 0.00 -0.81 -0.77 105.19 110.90 2qty n GLY 254 Ca -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 2qty n GLY 254 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qty h ILE 255 N 0.86 1.35 -2.53 -0.61 2.04 -1.95 -3.34 117.51 113.33 2qty h ILE 255 Ca -0.30 -1.73 -0.59 0.00 1.00 0.00 0.00 64.86 63.24 2qty h ILE 255 Cb 1.01 1.84 0.08 0.00 -0.74 0.00 0.00 36.82 39.00 2qty h ILE 255 CO 0.48 0.51 0.61 0.00 0.00 0.00 0.00 178.15 179.75 2qty n ALA 256 N -2.47 0.94 -0.06 1.87 0.00 -1.26 -0.48 120.51 119.05 2qty n ALA 256 Ca -0.02 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2qty n ALA 256 Cb 0.54 -2.26 0.34 0.00 0.00 0.00 0.00 19.45 18.07 2qty n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qty h ALA 257 N 4.42 1.56 0.00 0.00 0.00 -1.37 0.19 119.26 124.06 2qty h ALA 257 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qty h ALA 257 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qty h ALA 257 CO 0.77 0.37 0.00 1.97 0.00 0.00 0.00 179.25 182.37 2qty n PHE 258 N -4.42 0.48 -0.30 0.00 1.16 -1.26 -0.80 117.46 112.32 2qty n PHE 258 Ca 0.04 0.17 0.09 0.00 -1.87 0.00 0.00 57.45 55.89 2qty n PHE 258 Cb 0.09 -0.78 0.25 0.00 -1.61 0.00 0.00 39.48 37.43 2qty n PHE 258 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2qty n GLU 259 N -1.93 2.84 0.00 3.97 1.02 0.62 -4.59 120.64 122.58 2qty n GLU 259 Ca 0.04 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 2qty n GLU 259 Cb 0.25 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2qty n GLU 259 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qty n SER 260 N 1.09 0.95 -0.02 1.62 3.41 -1.00 -1.63 113.62 118.04 2qty n SER 260 Ca 0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 2qty n SER 260 Cb 0.55 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 2qty n SER 260 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qty h VAL 261 N 0.00 1.46 -0.80 -3.33 2.07 -1.23 0.12 116.25 114.55 2qty h VAL 261 Ca 0.00 -1.45 0.11 0.00 0.82 0.00 0.00 66.70 66.18 2qty h VAL 261 Cb 0.22 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 2qty h VAL 261 CO 0.00 0.37 0.52 -0.65 0.02 0.00 0.00 177.57 177.83 2qty h PRO 262 N -0.64 0.67 -0.08 1.57 0.11 -1.81 -1.07 132.00 130.75 2qty h PRO 262 Ca -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2qty h PRO 262 Cb 0.62 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qty h PRO 262 CO 0.00 0.44 0.03 1.15 -0.21 0.00 0.00 178.00 179.42 2qty h THR 263 N 0.69 1.14 -0.67 -1.15 2.02 -1.82 0.91 112.91 114.03 2qty h THR 263 Ca 0.38 -0.42 0.13 0.00 0.77 0.00 0.00 66.41 67.27 2qty h THR 263 Cb 0.53 1.27 -0.10 0.00 -1.74 0.00 0.00 68.15 68.11 2qty h THR 263 CO -0.15 0.12 0.15 0.00 0.37 0.00 0.00 175.52 176.02 2qty h ALA 264 N 0.88 0.82 -0.49 6.16 0.00 -0.28 -0.89 119.26 125.46 2qty h ALA 264 Ca 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qty h ALA 264 Cb 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2qty h ALA 264 CO -0.00 -0.31 0.21 0.82 0.00 0.00 0.00 179.25 179.96 2qty h ILE 265 N 0.27 1.20 -0.60 0.00 2.04 -0.76 -1.78 117.51 117.89 2qty h ILE 265 Ca 0.36 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2qty h ILE 265 Cb 0.57 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2qty h ILE 265 CO -0.45 0.23 0.39 0.22 0.00 0.00 0.00 178.15 178.54 2qty h TYR 266 N 0.64 0.74 -0.16 1.37 3.20 -0.34 -0.53 116.97 121.89 2qty h TYR 266 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2qty h TYR 266 Cb 0.16 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2qty h TYR 266 CO -0.00 0.46 -0.08 0.00 -1.64 0.00 0.00 178.16 176.90 2qty h PHE 268 N -0.06 -0.55 -0.43 0.00 3.57 -0.99 -0.63 116.94 117.84 2qty h PHE 268 Ca 0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 2qty h PHE 268 Cb 0.20 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2qty h PHE 268 CO -0.22 -0.29 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.33 2qty h LEU 269 N -0.28 0.89 -0.81 0.59 3.38 -0.83 -3.00 115.31 115.24 2qty h LEU 269 Ca 0.09 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2qty h LEU 269 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qty h LEU 269 CO -0.26 1.07 0.10 -0.09 0.09 0.00 0.00 178.44 179.35 2qty h ARG 270 N 0.69 0.99 -0.15 1.13 1.12 0.01 -2.88 114.38 115.30 2qty h ARG 270 Ca 0.10 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 2qty h ARG 270 Cb 0.72 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2qty h ARG 270 CO 0.05 0.92 0.00 0.00 -3.11 0.00 0.00 179.97 177.83 2qty h MET 272 N 1.37 0.00 -6.17 0.00 2.86 -1.37 -3.44 114.93 108.18 2qty h MET 272 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 2qty h MET 272 Cb 0.30 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.84 2qty h MET 272 CO 0.00 0.00 -0.71 -1.21 1.06 0.00 0.00 176.91 176.05 2qty s GLU 273 N -4.22 1.88 0.77 1.72 0.41 -1.04 -5.08 118.70 113.15 2qty s GLU 273 Ca -0.05 -1.69 -0.14 0.00 -0.41 0.00 0.00 54.97 52.67 2qty s GLU 273 Cb 0.13 -1.88 0.06 0.00 -1.78 0.00 0.00 34.13 30.67 2qty s GLU 273 CO 0.44 0.30 1.23 -2.30 -0.49 0.00 0.00 175.26 174.45 2qty n PRO 274 N -0.73 0.40 -4.93 0.39 -0.02 -1.26 -5.02 135.00 123.82 2qty n PRO 274 Ca -0.05 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.31 2qty n PRO 274 Cb 0.60 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 2qty n PRO 274 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qty s HIS 275 N -1.95 2.70 0.23 6.00 2.46 -1.26 -5.02 115.29 118.45 2qty s HIS 275 Ca 0.76 -0.60 0.35 0.00 0.47 0.00 0.00 55.06 56.04 2qty s HIS 275 Cb -0.31 -1.74 1.76 0.00 -0.13 0.00 0.00 32.58 32.15 2qty s HIS 275 CO 0.48 -0.15 2.07 -1.00 -2.47 0.00 0.00 174.74 173.67 2qty h PRO 276 N 6.30 0.00 -0.24 2.88 0.13 -2.02 -1.44 132.00 137.62 2qty h PRO 276 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2qty h PRO 276 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qty h PRO 276 CO 0.52 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 2qty n GLU 277 N -2.84 1.95 -3.92 0.86 1.02 -1.26 -4.85 120.64 111.60 2qty n GLU 277 Ca -0.01 -1.84 -0.35 0.00 -0.02 0.00 0.00 57.16 54.94 2qty n GLU 277 Cb 0.15 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 2qty n GLU 277 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qty s ILE 278 N -1.17 3.01 0.34 -3.67 1.01 -0.54 -5.00 121.20 115.18 2qty s ILE 278 Ca 0.25 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 2qty s ILE 278 Cb 0.15 -2.65 -0.14 0.00 0.01 0.00 0.00 42.46 39.84 2qty s ILE 278 CO 0.21 0.02 0.72 -2.65 0.00 0.00 0.00 174.94 173.24 2qty n PRO 279 N 4.66 0.77 0.00 2.79 -0.02 -1.26 -4.54 135.00 137.39 2qty n PRO 279 Ca -0.14 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 2qty n PRO 279 Cb 0.45 -1.55 0.57 0.00 -0.02 0.00 0.00 33.50 32.95 2qty n PRO 279 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qty n SER 280 N 1.35 0.00 0.24 2.55 3.41 -1.26 -2.18 113.62 117.73 2qty n SER 280 Ca 0.12 -0.09 0.16 0.00 -0.26 0.00 0.00 58.87 58.80 2qty n SER 280 Cb 0.34 -0.26 0.68 0.00 -0.26 0.00 0.00 64.21 64.71 2qty n SER 280 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2qty h THR 281 N 0.00 0.00 -3.41 6.66 1.35 -2.03 -3.43 112.91 112.05 2qty h THR 281 Ca 0.00 -0.38 -0.54 0.00 -0.55 0.00 0.00 66.41 64.94 2qty h THR 281 Cb 0.19 1.29 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 2qty h THR 281 CO 0.00 0.00 0.07 -0.36 -0.25 0.00 0.00 175.52 174.98 2qty s PHE 282 N -3.61 3.81 0.86 4.73 0.08 -0.93 -5.08 117.98 117.84 2qty s PHE 282 Ca 0.01 1.43 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 2qty s PHE 282 Cb 0.09 -2.62 0.19 0.00 -0.57 0.00 0.00 43.02 40.11 2qty s PHE 282 CO 0.48 0.51 1.16 0.27 -0.10 0.00 0.00 175.22 177.54 2qty n ASN 283 N 1.45 0.30 0.00 1.36 0.23 -1.26 -4.77 115.26 112.57 2qty n ASN 283 Ca -0.07 -1.55 -0.05 0.00 -0.53 0.00 0.00 54.58 52.38 2qty n ASN 283 Cb 0.50 -0.87 0.16 0.00 -2.08 0.00 0.00 39.78 37.49 2qty n ASN 283 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2qty h SER 284 N -1.41 0.53 -0.27 0.53 0.02 -1.93 -0.20 113.55 110.82 2qty h SER 284 Ca -0.38 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2qty h SER 284 Cb 1.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2qty h SER 284 CO 0.29 0.81 0.01 0.25 -1.14 0.00 0.00 176.83 177.05 2qty h LEU 285 N 0.45 0.47 -0.21 5.07 6.46 -1.90 -1.59 115.31 124.05 2qty h LEU 285 Ca 0.06 -0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2qty h LEU 285 Cb 0.76 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2qty h LEU 285 CO 0.06 0.65 0.12 1.56 -0.62 0.00 0.00 178.44 180.22 2qty h GLN 286 N 0.27 0.28 -0.56 1.25 4.20 -1.76 -2.55 115.11 116.23 2qty h GLN 286 Ca 0.08 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.83 2qty h GLN 286 Cb 0.41 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2qty h GLN 286 CO 0.01 0.24 0.24 -0.09 -0.67 0.00 0.00 178.83 178.56 2qty h ARG 287 N 0.25 0.43 -0.54 1.46 2.43 -0.95 -1.28 114.38 116.18 2qty h ARG 287 Ca 0.07 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2qty h ARG 287 Cb 0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 2qty h ARG 287 CO -0.01 0.29 0.24 1.15 -1.51 0.00 0.00 179.97 180.13 2qty h THR 288 N 0.45 0.89 -0.21 0.20 2.02 -1.09 -0.79 112.91 114.37 2qty h THR 288 Ca 0.27 -0.16 -0.20 0.00 0.77 0.00 0.00 66.41 67.09 2qty h THR 288 Cb 0.27 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2qty h THR 288 CO -0.24 0.08 -0.65 -0.07 0.37 0.00 0.00 175.52 175.01 2qty h LEU 289 N 0.46 0.91 -0.14 2.58 3.38 -0.96 -1.01 115.31 120.52 2qty h LEU 289 Ca 0.25 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2qty h LEU 289 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qty h LEU 289 CO -0.21 1.33 0.05 0.40 0.09 0.00 0.00 178.44 180.09 2qty h ILE 290 N 0.58 1.17 0.26 1.22 2.04 -1.14 -0.70 117.51 120.93 2qty h ILE 290 Ca -0.02 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2qty h ILE 290 Cb 1.26 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2qty h ILE 290 CO 0.14 0.16 -0.12 0.22 0.00 0.00 0.00 178.15 178.54 2qty h TYR 291 N 0.06 -0.32 -0.63 1.37 3.20 -1.08 -1.39 116.97 118.18 2qty h TYR 291 Ca 0.05 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2qty h TYR 291 Cb 0.20 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2qty h TYR 291 CO -0.01 -0.20 0.38 0.66 -1.64 0.00 0.00 178.16 177.35 2qty h SER 292 N -0.35 0.60 -0.30 -2.11 4.64 -1.09 -2.33 113.55 112.60 2qty h SER 292 Ca -0.04 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2qty h SER 292 Cb 0.27 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2qty h SER 292 CO 0.06 0.41 0.08 0.40 -0.87 0.00 0.00 176.83 176.91 2qty h ILE 293 N 0.73 1.18 0.00 0.95 2.04 -0.95 -2.25 117.51 119.21 2qty h ILE 293 Ca 0.26 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2qty h ILE 293 Cb 0.07 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2qty h ILE 293 CO -0.13 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 2qty n SER 294 N -4.33 0.33 0.19 1.72 3.41 -0.54 -1.18 113.62 113.22 2qty n SER 294 Ca 0.02 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 2qty n SER 294 Cb 0.20 -0.66 0.48 0.00 -0.26 0.00 0.00 64.21 63.97 2qty n SER 294 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qty h LEU 295 N 0.00 0.00 0.00 1.04 3.38 -1.27 -3.41 115.31 115.05 2qty h LEU 295 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qty h LEU 295 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qty h LEU 295 CO 0.00 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.11 2qty n GLY 296 N 0.47 -1.81 7.00 0.83 0.00 -0.33 -4.83 105.19 106.52 2qty n GLY 296 Ca 0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2qty n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qty n GLY 297 N -0.32 0.89 2.62 -0.02 0.00 0.17 -4.18 105.19 104.34 2qty n GLY 297 Ca 0.00 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2qty n GLY 297 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qty n ASP 298 N 5.26 5.34 -0.10 1.61 -0.08 0.05 -0.21 116.55 128.43 2qty n ASP 298 Ca 0.00 -2.79 -0.09 0.00 -1.51 0.00 0.00 54.79 50.40 2qty n ASP 298 Cb 0.00 -1.62 0.06 0.00 2.34 0.00 0.00 41.12 41.90 2qty n ASP 298 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qty h THR 299 N 3.69 1.27 -0.55 5.18 1.35 -1.82 -0.02 112.91 122.01 2qty h THR 299 Ca 0.65 -1.38 -0.09 0.00 -0.55 0.00 0.00 66.41 65.04 2qty h THR 299 Cb 0.54 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 2qty h THR 299 CO 1.84 0.46 0.00 -2.24 -0.25 0.00 0.00 175.52 175.34 2qty h ASP 300 N 0.71 0.92 0.43 5.36 2.03 -1.82 -1.82 116.42 122.23 2qty h ASP 300 Ca 0.09 -0.25 -0.31 0.00 -0.73 0.00 0.00 57.03 55.84 2qty h ASP 300 Cb 0.78 -0.25 0.01 0.00 -0.83 0.00 0.00 39.33 39.04 2qty h ASP 300 CO 0.06 0.98 -1.48 0.74 -1.03 0.00 0.00 179.24 178.52 2qty h THR 301 N 0.87 1.24 -0.37 1.15 2.02 -1.79 -0.33 112.91 115.70 2qty h THR 301 Ca 0.16 -2.81 -0.06 0.00 0.77 0.00 0.00 66.41 64.47 2qty h THR 301 Cb 0.51 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 2qty h THR 301 CO 0.03 0.84 0.00 0.40 0.37 0.00 0.00 175.52 177.16 2qty h ILE 302 N 0.09 1.26 -0.57 3.11 2.04 -1.06 -1.87 117.51 120.51 2qty h ILE 302 Ca -0.23 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 2qty h ILE 302 Cb 2.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 2qty h ILE 302 CO 0.20 0.33 -0.01 0.00 0.00 0.00 0.00 178.15 178.66 2qty h ALA 303 N 0.87 0.77 -0.49 1.87 0.00 -1.32 0.22 119.26 121.18 2qty h ALA 303 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2qty h ALA 303 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qty h ALA 303 CO 0.02 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.07 2qty h THR 304 N 0.91 1.19 -0.00 0.00 1.03 -0.99 0.42 112.91 115.46 2qty h THR 304 Ca 0.16 -0.61 -0.12 0.00 -0.01 0.00 0.00 66.41 65.84 2qty h THR 304 Cb 0.56 0.62 0.01 0.00 -1.07 0.00 0.00 68.15 68.27 2qty h THR 304 CO 0.03 0.23 -0.46 0.24 -0.01 0.00 0.00 175.52 175.56 2qty h MET 305 N 0.71 0.31 -0.97 0.00 2.07 -1.04 -1.79 114.93 114.23 2qty h MET 305 Ca 0.17 -0.34 0.03 0.00 -2.07 0.00 0.00 59.70 57.49 2qty h MET 305 Cb 0.16 0.10 -0.05 0.00 -1.87 0.00 0.00 31.60 29.94 2qty h MET 305 CO -0.01 1.03 0.63 0.00 1.07 0.00 0.00 176.91 179.63 2qty h ALA 306 N 0.29 1.26 -0.36 6.32 0.00 -0.81 -2.54 119.26 123.42 2qty h ALA 306 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2qty h ALA 306 Cb 1.19 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qty h ALA 306 CO 0.09 0.56 -0.04 0.78 0.00 0.00 0.00 179.25 180.64 2qty h GLY 307 N 1.26 0.63 0.89 0.00 0.00 -0.15 -0.09 103.07 105.61 2qty h GLY 307 Ca 0.37 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qty h GLY 307 CO -0.10 0.38 -0.01 0.00 0.00 0.00 0.00 176.54 176.80 2qty h ALA 308 N 1.41 -0.02 -0.29 3.60 0.00 -0.95 0.30 119.26 123.31 2qty h ALA 308 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qty h ALA 308 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qty h ALA 308 CO 0.02 -0.46 -0.01 0.82 0.00 0.00 0.00 179.25 179.62 2qty h ILE 309 N -0.13 1.26 -0.43 0.00 2.04 -1.24 -2.37 117.51 116.64 2qty h ILE 309 Ca -0.00 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 2qty h ILE 309 Cb 0.13 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2qty h ILE 309 CO 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 178.15 178.29 2qty h ALA 310 N 0.82 0.60 -0.71 1.87 0.00 -0.94 -1.72 119.26 119.18 2qty h ALA 310 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2qty h ALA 310 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2qty h ALA 310 CO 0.02 0.54 0.35 0.78 0.00 0.00 0.00 179.25 180.94 2qty h GLY 311 N 0.70 1.07 1.05 0.00 0.00 -0.39 0.13 103.07 105.63 2qty h GLY 311 Ca 0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 2qty h GLY 311 CO 0.06 0.48 0.23 0.00 0.00 0.00 0.00 176.54 177.30 2qty h ALA 312 N 1.39 0.95 0.08 3.60 0.00 -1.24 0.20 119.26 124.23 2qty h ALA 312 Ca 0.25 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2qty h ALA 312 Cb 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qty h ALA 312 CO -0.03 0.63 -0.90 -0.92 0.00 0.00 0.00 179.25 178.02 2qty h TYR 313 N 1.07 0.76 0.00 0.00 3.20 -0.83 -3.38 116.97 117.79 2qty h TYR 313 Ca 0.23 -0.47 -0.17 0.00 3.14 0.00 0.00 58.73 61.46 2qty h TYR 313 Cb 0.31 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2qty h TYR 313 CO 0.02 1.32 -1.60 0.66 -1.64 0.00 0.00 178.16 176.92 2qty n TYR 314 N -4.03 0.75 -2.06 -3.82 4.01 0.40 -4.98 117.16 107.42 2qty n TYR 314 Ca -0.12 0.25 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 2qty n TYR 314 Cb 0.83 -1.01 -0.00 0.00 -0.31 0.00 0.00 39.34 38.84 2qty n TYR 314 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qty n GLY 315 N 1.43 -2.07 0.29 2.72 0.00 0.70 -4.27 105.19 103.99 2qty n GLY 315 Ca -0.12 -1.42 0.17 0.00 0.00 0.00 0.00 46.02 44.66 2qty n GLY 315 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qty h MET 316 N 0.00 0.00 0.00 1.61 2.86 -1.77 -2.65 114.93 114.98 2qty h MET 316 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qty h MET 316 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2qty h MET 316 CO 0.00 0.04 -0.01 0.93 1.06 0.00 0.00 176.91 178.93 2qty h GLU 317 N 0.00 0.00 -0.13 1.72 4.39 -1.91 -1.72 114.58 116.93 2qty h GLU 317 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qty h GLU 317 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2qty h GLU 317 CO 0.01 0.01 0.00 1.04 -1.16 0.00 0.00 179.01 178.90 2qty n GLN 318 N -3.13 1.90 -2.47 2.33 6.02 -1.00 -4.90 117.38 116.13 2qty n GLN 318 Ca -0.01 -1.81 -0.43 0.00 -0.01 0.00 0.00 57.00 54.74 2qty n GLN 318 Cb 0.18 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 2qty n GLN 318 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qty s VAL 319 N -1.50 4.15 0.10 5.09 1.01 -0.65 -4.63 120.40 123.97 2qty s VAL 319 Ca 0.26 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 2qty s VAL 319 Cb 0.17 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 2qty s VAL 319 CO 0.25 -0.66 1.24 -2.16 0.00 0.00 0.00 175.10 173.78 2qty s PRO 320 N 4.34 4.42 0.21 2.72 0.05 -1.26 -4.92 135.00 140.55 2qty s PRO 320 Ca 0.54 1.87 -0.10 0.00 0.05 0.00 0.00 61.00 63.36 2qty s PRO 320 Cb -0.13 -3.30 0.16 0.00 0.05 0.00 0.00 34.50 31.28 2qty s PRO 320 CO 0.26 -0.26 1.87 0.93 0.05 0.00 0.00 177.00 179.85 2qty h GLU 321 N 6.44 0.93 -0.68 4.56 3.07 -1.96 0.78 114.58 127.72 2qty h GLU 321 Ca -0.42 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.31 2qty h GLU 321 Cb 1.21 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 2qty h GLU 321 CO 0.81 0.62 0.17 0.66 -1.40 0.00 0.00 179.01 179.86 2qty h SER 322 N 0.96 1.02 -0.02 1.42 4.64 -1.91 -0.33 113.55 119.33 2qty h SER 322 Ca 0.27 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2qty h SER 322 Cb -0.08 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.74 2qty h SER 322 CO -0.07 0.98 -0.04 -0.50 -0.87 0.00 0.00 176.83 176.33 2qty h TRP 323 N 1.03 0.07 -0.44 4.77 4.06 -1.72 -3.06 115.95 120.65 2qty h TRP 323 Ca 0.22 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.21 2qty h TRP 323 Cb 0.36 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.44 2qty h TRP 323 CO 0.03 0.64 0.10 0.37 -3.56 0.00 0.00 178.44 176.01 2qty h GLN 324 N -0.51 0.23 0.00 0.49 4.15 -0.65 -0.68 115.11 118.15 2qty h GLN 324 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2qty h GLN 324 Cb 0.64 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2qty h GLN 324 CO 0.01 0.15 0.00 1.04 -1.93 0.00 0.00 178.83 178.10 2qty n GLN 325 N -5.09 0.20 0.08 1.69 6.02 -0.15 -1.58 117.38 118.56 2qty n GLN 325 Ca 0.04 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.22 2qty n GLN 325 Cb 0.20 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.31 2qty n GLN 325 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2qty n SER 326 N -1.38 0.72 -4.73 1.08 7.64 -0.27 -4.89 113.62 111.79 2qty n SER 326 Ca 0.09 0.41 -0.38 0.00 1.01 0.00 0.00 58.87 60.00 2qty n SER 326 Cb 0.23 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 2qty n SER 326 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qty n GLU 328 N 3.60 1.97 -1.22 0.00 2.13 -0.19 -2.63 120.64 124.30 2qty n GLU 328 Ca -0.06 0.71 -0.08 0.00 0.66 0.00 0.00 57.16 58.39 2qty n GLU 328 Cb 0.52 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 2qty n GLU 328 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qty n GLY 329 N 3.28 0.96 0.30 8.31 0.00 -1.26 -4.71 105.19 112.06 2qty n GLY 329 Ca 0.17 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2qty n GLY 329 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2qty h PHE 330 N 0.00 0.51 -0.44 1.61 -0.00 -1.79 0.31 116.94 117.13 2qty h PHE 330 Ca -0.15 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.68 2qty h PHE 330 Cb 0.51 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.28 2qty h PHE 330 CO 0.22 0.37 -0.25 0.93 -0.00 0.00 0.00 178.31 179.58 2qty h GLU 331 N 0.53 0.94 -0.31 6.09 4.39 -1.91 -1.14 114.58 123.17 2qty h GLU 331 Ca 0.14 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 2qty h GLU 331 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2qty h GLU 331 CO -0.02 1.08 -0.14 0.93 -1.16 0.00 0.00 179.01 179.69 2qty h GLU 332 N 0.80 0.65 -0.50 2.33 3.07 -1.82 -1.90 114.58 117.21 2qty h GLU 332 Ca 0.10 -0.28 0.07 0.00 -0.50 0.00 0.00 59.36 58.75 2qty h GLU 332 Cb 0.82 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 2qty h GLU 332 CO 0.07 0.86 0.16 1.15 -1.40 0.00 0.00 179.01 179.86 2qty h THR 333 N 0.41 0.81 -0.43 1.13 2.02 -0.89 -2.03 112.91 113.92 2qty h THR 333 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2qty h THR 333 Cb 0.67 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2qty h THR 333 CO 0.04 0.06 0.23 -0.78 0.37 0.00 0.00 175.52 175.44 2qty h ASP 334 N 0.33 0.55 -0.95 4.18 3.58 -0.77 -1.99 116.42 121.35 2qty h ASP 334 Ca 0.24 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.60 2qty h ASP 334 Cb 0.27 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2qty h ASP 334 CO -0.26 0.50 0.62 0.58 -2.88 0.00 0.00 179.24 177.80 2qty h VAL 335 N 0.56 1.25 -0.83 2.25 2.07 -1.08 -1.31 116.25 119.16 2qty h VAL 335 Ca 0.15 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2qty h VAL 335 Cb 0.08 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 2qty h VAL 335 CO -0.02 0.24 0.41 -0.07 0.02 0.00 0.00 177.57 178.15 2qty h LEU 336 N 1.29 1.07 -0.25 2.57 3.38 -0.89 -0.10 115.31 122.38 2qty h LEU 336 Ca 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2qty h LEU 336 Cb -0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 2qty h LEU 336 CO -0.07 0.89 0.02 0.00 0.09 0.00 0.00 178.44 179.37 2qty h ALA 337 N 1.27 0.33 -0.84 1.53 0.00 -0.85 -0.53 119.26 120.17 2qty h ALA 337 Ca 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qty h ALA 337 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2qty h ALA 337 CO -0.04 0.04 0.49 1.96 0.00 0.00 0.00 179.25 181.71 2qty h GLN 338 N 0.22 1.16 -0.40 0.00 4.20 -0.99 -2.12 115.11 117.17 2qty h GLN 338 Ca 0.07 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2qty h GLN 338 Cb 0.38 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2qty h GLN 338 CO 0.01 0.83 -0.10 0.77 -0.67 0.00 0.00 178.83 179.66 2qty h SER 339 N 1.17 0.79 -0.72 1.46 0.02 -0.75 -0.21 113.55 115.32 2qty h SER 339 Ca 0.30 -0.37 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2qty h SER 339 Cb -0.02 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.23 2qty h SER 339 CO -0.05 0.97 0.35 -0.07 -1.14 0.00 0.00 176.83 176.89 2qty h LEU 340 N 0.60 0.45 -0.46 5.07 3.38 -0.94 0.11 115.31 123.51 2qty h LEU 340 Ca 0.10 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2qty h LEU 340 Cb 0.63 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2qty h LEU 340 CO 0.04 0.25 0.05 -0.74 0.09 0.00 0.00 178.44 178.14 2qty h HIS 341 N 0.59 0.84 -0.37 1.13 2.76 -0.76 -0.55 115.15 118.78 2qty h HIS 341 Ca 0.36 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2qty h HIS 341 Cb 0.39 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2qty h HIS 341 CO -0.11 0.79 0.22 -0.09 -1.30 0.00 0.00 177.93 177.44 2qty h ARG 342 N 0.64 0.50 0.03 5.26 2.43 -0.49 0.89 114.38 123.64 2qty h ARG 342 Ca 0.14 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.00 2qty h ARG 342 Cb 0.42 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2qty h ARG 342 CO 0.01 0.38 -1.06 0.28 -1.51 0.00 0.00 179.97 178.06 2qty h VAL 343 N 0.49 1.31 0.00 0.20 2.07 -0.65 -3.38 116.25 116.29 2qty h VAL 343 Ca 0.13 -2.35 -0.21 0.00 0.82 0.00 0.00 66.70 65.09 2qty h VAL 343 Cb 0.00 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 2qty h VAL 343 CO -0.03 0.72 -1.79 0.49 0.02 0.00 0.00 177.57 176.99 2qty n PHE 344 N -3.81 0.00 -0.08 1.57 3.72 -0.23 -4.85 117.46 113.78 2qty n PHE 344 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.19 2qty n PHE 344 Cb 0.90 -0.57 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 2qty n PHE 344 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2qty n GLN 345 N -2.45 0.75 -1.66 -1.08 -0.06 0.08 -4.98 117.38 107.99 2qty n GLN 345 Ca -0.19 0.07 -0.44 0.00 -2.00 0.00 0.00 57.00 54.44 2qty n GLN 345 Cb 0.87 -1.34 -0.02 0.00 -4.06 0.00 0.00 30.24 25.68 2qty n GLN 345 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2qty n GLU 346 N -2.89 1.90 0.00 3.69 1.02 0.07 -5.04 120.64 119.39 2qty n GLU 346 Ca -0.28 0.67 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2qty n GLU 346 Cb 0.85 -2.25 0.70 0.00 -0.02 0.00 0.00 31.44 30.73 2qty n GLU 346 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18