#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqu s PRO 3 N 0.00 2.82 0.39 2.89 0.04 -1.26 -4.77 135.00 135.10 1lqu s PRO 3 Ca 0.00 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.56 1lqu s PRO 3 Cb 0.00 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1lqu s PRO 3 CO 0.00 -1.13 1.13 0.71 0.04 0.00 0.00 177.00 177.75 1lqu s TYR 4 N -3.14 3.17 -0.25 0.56 2.02 -0.21 -4.86 117.35 114.64 1lqu s TYR 4 Ca 0.58 1.59 -0.06 0.00 -0.37 0.00 0.00 57.07 58.81 1lqu s TYR 4 Cb -0.13 -3.32 -0.01 0.00 -0.40 0.00 0.00 41.96 38.09 1lqu s TYR 4 CO 0.54 -1.08 0.03 0.71 -1.57 0.00 0.00 175.55 174.18 1lqu s TYR 5 N -1.44 3.06 -0.11 2.71 2.02 -1.26 -0.46 117.35 121.86 1lqu s TYR 5 Ca 0.56 -0.75 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1lqu s TYR 5 Cb -0.29 -2.19 -0.00 0.00 -0.40 0.00 0.00 41.96 39.07 1lqu s TYR 5 CO 0.36 -0.48 -0.21 0.42 -1.57 0.00 0.00 175.55 174.07 1lqu s ILE 6 N 1.54 2.31 -0.14 2.71 -1.09 -0.03 -0.52 121.20 125.98 1lqu s ILE 6 Ca 0.05 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.47 1lqu s ILE 6 Cb -0.15 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1lqu s ILE 6 CO 0.01 0.55 0.14 0.00 -1.23 0.00 0.00 174.94 174.41 1lqu s ALA 7 N 0.41 3.83 -0.13 9.38 0.00 -0.79 -1.03 121.76 133.43 1lqu s ALA 7 Ca -0.15 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1lqu s ALA 7 Cb -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1lqu s ALA 7 CO 0.07 0.50 -0.22 0.42 0.00 0.00 0.00 175.76 176.53 1lqu s ILE 8 N -0.67 2.16 -0.36 0.00 1.01 0.49 -0.41 121.20 123.43 1lqu s ILE 8 Ca 0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1lqu s ILE 8 Cb -0.12 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1lqu s ILE 8 CO 0.02 0.55 0.22 -0.69 0.00 0.00 0.00 174.94 175.05 1lqu s VAL 9 N 0.64 4.85 0.00 2.92 1.01 0.57 -0.45 120.40 129.94 1lqu s VAL 9 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1lqu s VAL 9 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1lqu s VAL 9 CO 0.02 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1lqu n GLY 10 N 5.05 2.65 1.12 4.51 0.00 0.79 -0.13 105.19 119.17 1lqu n GLY 10 Ca -0.12 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1lqu n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqu n SER 11 N 0.00 0.63 -2.04 1.61 3.41 -1.26 -4.58 113.62 111.40 1lqu n SER 11 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1lqu n SER 11 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1lqu n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqu n GLY 12 N 0.30 -0.59 0.20 5.00 0.00 -1.26 -0.69 105.19 108.15 1lqu n GLY 12 Ca 0.04 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 1lqu n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1lqu h PRO 13 N 0.00 0.25 -0.64 1.61 0.11 -1.95 -1.44 132.00 129.93 1lqu h PRO 13 Ca 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1lqu h PRO 13 Cb 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 1lqu h PRO 13 CO 0.00 0.16 0.23 0.66 -0.21 0.00 0.00 178.00 178.85 1lqu h SER 14 N 0.25 0.88 -0.19 -2.05 4.64 -1.91 0.90 113.55 116.08 1lqu h SER 14 Ca 0.25 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1lqu h SER 14 Cb 0.33 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1lqu h SER 14 CO -0.32 0.80 0.11 0.00 -0.87 0.00 0.00 176.83 176.56 1lqu h ALA 15 N 1.32 0.24 -0.22 5.18 0.00 -1.72 -0.61 119.26 123.45 1lqu h ALA 15 Ca 0.22 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1lqu h ALA 15 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lqu h ALA 15 CO -0.02 -0.25 -0.35 0.74 0.00 0.00 0.00 179.25 179.38 1lqu h PHE 16 N 0.22 0.56 -0.49 0.00 0.04 -0.84 0.34 116.94 116.78 1lqu h PHE 16 Ca 0.07 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1lqu h PHE 16 Cb 0.03 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1lqu h PHE 16 CO -0.05 0.77 -0.16 0.74 -0.60 0.00 0.00 178.31 179.02 1lqu h PHE 17 N 0.41 1.09 -0.45 -0.55 0.04 -0.73 -1.16 116.94 115.59 1lqu h PHE 17 Ca 0.05 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1lqu h PHE 17 Cb 0.81 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1lqu h PHE 17 CO 0.03 1.05 0.27 0.00 -0.60 0.00 0.00 178.31 179.06 1lqu h ALA 18 N 0.88 0.57 -0.34 2.45 0.00 -0.87 -0.80 119.26 121.16 1lqu h ALA 18 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1lqu h ALA 18 Cb 0.72 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1lqu h ALA 18 CO 0.06 0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.53 1lqu h ALA 19 N 1.13 0.42 -0.86 0.00 0.00 -0.74 -0.66 119.26 118.54 1lqu h ALA 19 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1lqu h ALA 19 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1lqu h ALA 19 CO -0.03 -0.20 0.53 0.00 0.00 0.00 0.00 179.25 179.54 1lqu h ALA 20 N 1.18 1.10 -0.81 0.00 0.00 -0.99 -1.40 119.26 118.34 1lqu h ALA 20 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1lqu h ALA 20 Cb 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1lqu h ALA 20 CO -0.10 0.56 0.34 0.77 0.00 0.00 0.00 179.25 180.82 1lqu h SER 21 N 1.19 1.10 -0.23 0.00 0.02 -0.51 -0.35 113.55 114.77 1lqu h SER 21 Ca 0.31 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1lqu h SER 21 Cb -0.06 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1lqu h SER 21 CO -0.06 0.96 0.08 -0.07 -1.14 0.00 0.00 176.83 176.61 1lqu h LEU 22 N 1.17 0.32 -0.85 5.07 3.38 -0.75 -1.48 115.31 122.18 1lqu h LEU 22 Ca 0.27 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1lqu h LEU 22 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1lqu h LEU 22 CO -0.03 0.41 -0.14 -0.07 0.09 0.00 0.00 178.44 178.70 1lqu h LEU 23 N 0.20 0.69 -0.55 1.67 3.38 -1.08 -2.37 115.31 117.26 1lqu h LEU 23 Ca 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1lqu h LEU 23 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1lqu h LEU 23 CO -0.00 0.85 0.16 0.50 0.09 0.00 0.00 178.44 180.04 1lqu h LYS 24 N 0.63 0.86 -0.46 1.13 3.64 -0.96 -0.28 116.57 121.13 1lqu h LYS 24 Ca 0.10 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1lqu h LYS 24 Cb 0.61 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1lqu h LYS 24 CO 0.04 0.79 0.22 0.00 -2.27 0.00 0.00 179.45 178.23 1lqu h ALA 25 N 1.03 0.58 -0.69 5.00 0.00 -0.99 -1.42 119.26 122.76 1lqu h ALA 25 Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1lqu h ALA 25 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1lqu h ALA 25 CO -0.00 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.46 1lqu h ALA 26 N 1.26 0.89 0.00 0.00 0.00 -1.10 -2.07 119.26 118.23 1lqu h ALA 26 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lqu h ALA 26 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1lqu h ALA 26 CO -0.16 0.43 -0.12 -0.44 0.00 0.00 0.00 179.25 178.96 1lqu h ASP 27 N 0.95 0.00 -0.24 0.00 3.32 -0.41 -2.99 116.42 117.05 1lqu h ASP 27 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1lqu h ASP 27 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1lqu h ASP 27 CO -0.03 0.12 0.00 0.35 -1.72 0.00 0.00 179.24 177.96 1lqu n THR 28 N -3.56 0.95 -4.07 0.35 -2.24 -0.59 -4.97 114.28 100.14 1lqu n THR 28 Ca -0.02 -0.97 -0.22 0.00 -2.27 0.00 0.00 64.05 60.57 1lqu n THR 28 Cb 0.26 0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 1lqu n THR 28 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1lqu s THR 29 N -0.98 0.58 0.48 4.28 2.01 -0.81 -5.05 115.64 116.15 1lqu s THR 29 Ca 0.17 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 1lqu s THR 29 Cb 0.09 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.90 1lqu s THR 29 CO 0.11 0.26 1.22 -1.61 -0.69 0.00 0.00 174.62 173.91 1lqu s GLU 30 N 1.22 3.58 -1.41 4.92 0.41 -1.26 -3.39 118.70 122.78 1lqu s GLU 30 Ca -0.06 1.91 -0.10 0.00 -0.41 0.00 0.00 54.97 56.31 1lqu s GLU 30 Cb -0.14 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 29.87 1lqu s GLU 30 CO -0.02 -0.74 1.13 -0.25 -0.49 0.00 0.00 175.26 174.89 1lqu n ASP 31 N -0.64 -6.04 -3.49 -0.19 8.00 -1.26 -4.97 116.55 107.96 1lqu n ASP 31 Ca 0.08 -0.59 -0.13 0.00 0.71 0.00 0.00 54.79 54.86 1lqu n ASP 31 Cb 0.47 -4.77 -0.11 0.00 -0.02 0.00 0.00 41.12 36.69 1lqu n ASP 31 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1lqu s LEU 32 N -7.29 -0.37 0.15 0.64 2.96 -1.22 -5.14 118.68 108.41 1lqu s LEU 32 Ca 0.60 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1lqu s LEU 32 Cb -0.27 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 1lqu s LEU 32 CO 0.74 -0.29 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.48 1lqu s ASP 33 N 2.44 2.65 0.01 3.68 1.01 -1.26 -4.49 116.67 120.71 1lqu s ASP 33 Ca 0.07 -0.81 0.01 0.00 0.71 0.00 0.00 52.55 52.53 1lqu s ASP 33 Cb -0.15 -0.15 -0.01 0.00 1.01 0.00 0.00 42.92 43.62 1lqu s ASP 33 CO -0.13 -0.01 -0.04 -0.04 0.21 0.00 0.00 175.17 175.16 1lqu s MET 34 N -2.55 0.34 -0.03 8.23 -1.94 -1.26 -1.05 119.30 121.03 1lqu s MET 34 Ca 0.13 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 1lqu s MET 34 Cb -0.07 -0.20 0.01 0.00 2.01 0.00 0.00 34.83 36.58 1lqu s MET 34 CO 0.06 0.04 -0.08 0.00 -0.01 0.00 0.00 175.02 175.03 1lqu s ALA 35 N -0.65 0.87 -0.13 3.03 0.00 0.39 -4.86 121.76 120.41 1lqu s ALA 35 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1lqu s ALA 35 Cb -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1lqu s ALA 35 CO -0.00 0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.77 1lqu s VAL 36 N 0.42 1.69 -0.18 0.00 1.01 -0.23 -0.85 120.40 122.26 1lqu s VAL 36 Ca -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1lqu s VAL 36 Cb -0.11 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1lqu s VAL 36 CO 0.01 0.48 -0.08 -1.81 0.00 0.00 0.00 175.10 173.69 1lqu s ASP 37 N 1.02 4.18 -0.22 3.32 1.01 -0.20 -1.06 116.67 124.71 1lqu s ASP 37 Ca -0.05 -0.35 -0.06 0.00 0.71 0.00 0.00 52.55 52.80 1lqu s ASP 37 Cb -0.15 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 1lqu s ASP 37 CO -0.03 0.07 0.03 -0.32 0.21 0.00 0.00 175.17 175.12 1lqu s MET 38 N 0.94 3.62 -0.20 8.23 -2.45 0.29 -0.38 119.30 129.35 1lqu s MET 38 Ca -0.01 -0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 53.87 1lqu s MET 38 Cb -0.15 -3.18 -0.02 0.00 1.25 0.00 0.00 34.83 32.73 1lqu s MET 38 CO 0.00 -0.09 -0.01 -0.51 1.05 0.00 0.00 175.02 175.46 1lqu s LEU 39 N 1.31 3.19 -0.04 4.11 1.43 0.41 -0.36 118.68 128.72 1lqu s LEU 39 Ca 0.04 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1lqu s LEU 39 Cb -0.15 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1lqu s LEU 39 CO 0.02 0.05 -0.13 -0.70 0.23 0.00 0.00 176.35 175.82 1lqu s GLU 40 N 1.06 1.40 0.21 1.70 2.56 -0.30 -0.15 118.70 125.19 1lqu s GLU 40 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 54.97 54.45 1lqu s GLU 40 Cb -0.14 -1.24 0.17 0.00 2.00 0.00 0.00 34.13 34.92 1lqu s GLU 40 CO 0.01 0.15 1.88 1.98 -0.56 0.00 0.00 175.26 178.72 1lqu h MET 41 N 6.43 1.06 -7.06 4.30 1.85 -1.81 0.42 114.93 120.11 1lqu h MET 41 Ca -0.33 -0.08 -0.48 0.00 -0.61 0.00 0.00 59.70 58.20 1lqu h MET 41 Cb 1.17 -0.23 0.05 0.00 0.43 0.00 0.00 31.60 33.02 1lqu h MET 41 CO 0.48 0.72 0.16 -0.51 -0.40 0.00 0.00 176.91 177.36 1lqu s LEU 42 N -10.09 3.38 0.40 3.39 1.43 -1.26 -3.52 118.68 112.40 1lqu s LEU 42 Ca -0.13 0.82 0.28 0.00 -1.03 0.00 0.00 54.13 54.08 1lqu s LEU 42 Cb 0.15 -3.71 1.28 0.00 0.03 0.00 0.00 46.19 43.94 1lqu s LEU 42 CO 0.79 -0.88 1.85 -0.65 0.23 0.00 0.00 176.35 177.70 1lqu h PRO 43 N -0.03 0.00 -6.50 1.29 0.11 -1.89 -0.91 132.00 124.06 1lqu h PRO 43 Ca -0.46 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 1lqu h PRO 43 Cb 1.23 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.10 1lqu h PRO 43 CO 0.61 0.00 -0.82 0.95 -0.21 0.00 0.00 178.00 178.53 1lqu s THR 44 N -3.54 2.66 0.87 -1.15 -4.23 -1.26 -4.74 115.64 104.25 1lqu s THR 44 Ca 0.01 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1lqu s THR 44 Cb 0.09 -2.04 0.16 0.00 1.34 0.00 0.00 72.50 72.05 1lqu s THR 44 CO 0.40 0.49 1.21 -2.16 -0.54 0.00 0.00 174.62 174.03 1lqu s PRO 45 N -0.96 1.14 0.00 3.99 0.04 -1.26 -4.69 135.00 133.26 1lqu s PRO 45 Ca 0.12 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1lqu s PRO 45 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1lqu s PRO 45 CO 0.02 -2.01 0.00 0.91 0.04 0.00 0.00 177.00 175.95 1lqu n TRP 46 N -3.43 0.00 -1.91 0.56 8.01 0.14 -4.74 117.44 116.06 1lqu n TRP 46 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 1lqu n TRP 46 Cb 0.60 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 1lqu n TRP 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1lqu n GLY 47 N -2.00 2.98 0.11 6.99 0.00 -1.23 -1.41 105.19 110.62 1lqu n GLY 47 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1lqu n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lqu n LEU 48 N 0.00 0.51 -0.34 0.99 4.77 -1.26 -1.38 117.00 120.29 1lqu n LEU 48 Ca 0.00 0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 56.61 1lqu n LEU 48 Cb 0.00 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 40.63 1lqu n LEU 48 CO 0.00 -0.57 1.27 0.58 -1.33 0.00 0.00 177.39 177.34 1lqu h VAL 49 N 0.00 1.25 0.03 4.08 2.07 -1.63 0.15 116.25 122.19 1lqu h VAL 49 Ca 0.00 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1lqu h VAL 49 Cb 0.27 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1lqu h VAL 49 CO 0.00 0.24 -0.39 -0.09 0.02 0.00 0.00 177.57 177.35 1lqu h ARG 50 N 1.27 0.05 -0.01 1.57 2.43 -1.43 -3.39 114.38 114.89 1lqu h ARG 50 Ca 0.34 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1lqu h ARG 50 Cb -0.12 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1lqu h ARG 50 CO -0.07 1.04 -0.61 -1.13 -1.51 0.00 0.00 179.97 177.69 1lqu n SER 51 N -4.48 1.54 -0.01 -3.80 3.41 -0.48 -4.61 113.62 105.19 1lqu n SER 51 Ca -0.15 -1.23 -0.04 0.00 -0.26 0.00 0.00 58.87 57.19 1lqu n SER 51 Cb 0.58 0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 65.10 1lqu n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqu n GLY 52 N 1.44 -0.26 3.59 5.00 0.00 0.35 -4.45 105.19 110.85 1lqu n GLY 52 Ca 0.08 -0.15 -0.49 0.00 0.00 0.00 0.00 46.02 45.46 1lqu n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lqu n VAL 53 N -3.93 0.66 -2.03 1.61 0.31 -0.16 -4.84 118.33 109.96 1lqu n VAL 53 Ca -0.07 -0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 63.74 1lqu n VAL 53 Cb 0.24 -0.89 0.03 0.00 -0.91 0.00 0.00 33.84 32.31 1lqu n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lqu s ALA 54 N 0.00 2.62 0.22 3.52 0.00 -1.26 -4.90 121.76 121.96 1lqu s ALA 54 Ca 0.76 1.02 0.36 0.00 0.00 0.00 0.00 51.96 54.09 1lqu s ALA 54 Cb -0.86 -3.45 1.65 0.00 0.00 0.00 0.00 23.12 20.46 1lqu s ALA 54 CO 0.50 -1.11 2.07 -1.00 0.00 0.00 0.00 175.76 176.23 1lqu h PRO 55 N 1.06 0.00 -0.19 0.00 0.13 -1.94 -0.75 132.00 130.31 1lqu h PRO 55 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1lqu h PRO 55 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1lqu h PRO 55 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1lqu n ASP 56 N -2.99 1.01 -3.05 1.44 5.75 -1.26 -4.20 116.55 113.25 1lqu n ASP 56 Ca -0.00 -1.98 -0.24 0.00 -0.01 0.00 0.00 54.79 52.56 1lqu n ASP 56 Cb 0.22 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 1lqu n ASP 56 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1lqu n HIS 57 N 0.04 2.56 0.07 2.11 8.25 -0.29 -4.91 115.22 123.05 1lqu n HIS 57 Ca 0.07 -3.93 0.06 0.00 -0.26 0.00 0.00 57.72 53.66 1lqu n HIS 57 Cb 0.16 -0.46 0.50 0.00 1.12 0.00 0.00 29.99 31.31 1lqu n HIS 57 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1lqu h PRO 58 N 3.02 0.35 -0.74 -0.41 0.13 -1.76 -2.84 132.00 129.75 1lqu h PRO 58 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1lqu h PRO 58 Cb 0.68 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1lqu h PRO 58 CO 0.70 0.23 0.46 0.87 -0.23 0.00 0.00 178.00 180.03 1lqu h LYS 59 N 0.36 0.99 -0.29 0.86 1.57 -1.96 -1.44 116.57 116.66 1lqu h LYS 59 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1lqu h LYS 59 Cb 0.03 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1lqu h LYS 59 CO -0.03 0.68 0.10 0.82 -0.57 0.00 0.00 179.45 180.45 1lqu h ILE 60 N 1.01 1.13 0.00 1.86 5.03 -1.92 -2.49 117.51 122.13 1lqu h ILE 60 Ca 0.27 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1lqu h ILE 60 Cb -0.07 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 34.53 1lqu h ILE 60 CO -0.05 0.15 0.00 0.29 -0.68 0.00 0.00 178.15 177.86 1lqu n LYS 61 N -4.40 0.10 0.09 2.37 5.02 -0.55 -3.49 118.16 117.30 1lqu n LYS 61 Ca 0.01 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 1lqu n LYS 61 Cb 0.14 -1.65 0.38 0.00 -0.02 0.00 0.00 35.03 33.88 1lqu n LYS 61 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1lqu n SER 62 N -1.84 0.37 0.33 4.39 3.41 -0.94 -1.15 113.62 118.20 1lqu n SER 62 Ca 0.05 0.64 0.22 0.00 -0.26 0.00 0.00 58.87 59.51 1lqu n SER 62 Cb 0.28 -0.70 1.17 0.00 -0.26 0.00 0.00 64.21 64.70 1lqu n SER 62 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1lqu h ILE 63 N 0.00 0.06 -0.29 -1.33 2.10 -1.80 -1.53 117.51 114.72 1lqu h ILE 63 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.02 1lqu h ILE 63 Cb 0.12 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1lqu h ILE 63 CO 0.00 0.00 0.29 0.77 -1.08 0.00 0.00 178.15 178.13 1lqu h SER 64 N 0.00 0.00 -0.56 2.19 4.64 -1.44 -0.42 113.55 117.95 1lqu h SER 64 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1lqu h SER 64 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1lqu h SER 64 CO -0.00 0.00 0.30 0.11 -0.87 0.00 0.00 176.83 176.37 1lqu h LYS 65 N 0.00 0.82 -0.64 4.77 1.79 -1.52 -0.26 116.57 121.53 1lqu h LYS 65 Ca 0.14 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1lqu h LYS 65 Cb 0.71 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1lqu h LYS 65 CO -0.00 0.62 0.21 1.96 -1.08 0.00 0.00 179.45 181.16 1lqu h GLN 66 N 0.83 0.99 -0.69 3.15 4.20 -1.27 -1.40 115.11 120.92 1lqu h GLN 66 Ca 0.21 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1lqu h GLN 66 Cb 0.06 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1lqu h GLN 66 CO -0.03 0.86 0.26 0.74 -0.67 0.00 0.00 178.83 180.00 1lqu h PHE 67 N 0.92 1.03 -0.68 2.96 0.04 -1.25 -1.69 116.94 118.27 1lqu h PHE 67 Ca 0.21 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1lqu h PHE 67 Cb 0.28 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1lqu h PHE 67 CO 0.02 0.79 0.15 0.93 -0.60 0.00 0.00 178.31 179.61 1lqu h GLU 68 N 1.00 1.09 -0.60 1.51 5.08 -0.74 -0.96 114.58 120.97 1lqu h GLU 68 Ca 0.23 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1lqu h GLU 68 Cb 0.21 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1lqu h GLU 68 CO -0.02 0.97 0.21 0.87 -1.00 0.00 0.00 179.01 180.04 1lqu h LYS 69 N 1.03 0.91 -0.58 2.33 1.57 -0.84 -1.73 116.57 119.26 1lqu h LYS 69 Ca 0.21 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1lqu h LYS 69 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1lqu h LYS 69 CO 0.00 0.80 0.37 1.15 -0.57 0.00 0.00 179.45 181.21 1lqu h THR 70 N 0.84 1.15 0.00 -0.16 2.02 -1.03 -2.60 112.91 113.13 1lqu h THR 70 Ca 0.20 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1lqu h THR 70 Cb 0.25 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1lqu h THR 70 CO -0.01 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1lqu h ALA 71 N 1.20 1.00 0.00 6.16 0.00 -0.71 -1.63 119.26 125.29 1lqu h ALA 71 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lqu h ALA 71 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1lqu h ALA 71 CO -0.04 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.14 1lqu h GLU 72 N 0.00 0.00 -6.72 0.00 4.39 -0.92 -3.45 114.58 107.89 1lqu h GLU 72 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1lqu h GLU 72 Cb 0.32 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1lqu h GLU 72 CO 0.00 0.00 0.85 0.34 -1.16 0.00 0.00 179.01 179.04 1lqu s ASP 73 N -5.16 6.53 0.27 1.42 -1.08 -0.61 -4.86 116.67 113.18 1lqu s ASP 73 Ca 0.02 2.75 0.21 0.00 -0.52 0.00 0.00 52.55 55.01 1lqu s ASP 73 Cb 0.09 -2.62 1.01 0.00 -1.46 0.00 0.00 42.92 39.94 1lqu s ASP 73 CO 0.48 -0.82 1.64 -0.81 0.52 0.00 0.00 175.17 176.18 1lqu n PRO 74 N 2.89 0.15 0.00 4.34 -0.04 -1.26 -1.61 135.00 139.48 1lqu n PRO 74 Ca 0.10 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 64.23 1lqu n PRO 74 Cb 0.38 -1.88 0.63 0.00 -0.04 0.00 0.00 33.50 32.59 1lqu n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lqu n ARG 75 N -2.18 0.35 -4.30 0.54 1.74 -1.26 -4.83 116.66 106.72 1lqu n ARG 75 Ca 0.00 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.67 1lqu n ARG 75 Cb 0.12 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 1lqu n ARG 75 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1lqu s PHE 76 N -2.70 3.16 0.03 -1.55 2.19 -0.63 -1.07 117.98 117.42 1lqu s PHE 76 Ca 0.23 0.08 0.04 0.00 0.33 0.00 0.00 56.93 57.61 1lqu s PHE 76 Cb 0.20 -1.88 -0.02 0.00 -1.31 0.00 0.00 43.02 40.00 1lqu s PHE 76 CO 0.51 0.31 -0.12 1.03 1.83 0.00 0.00 175.22 178.78 1lqu s ARG 77 N -0.39 0.84 -0.08 10.12 0.52 -0.23 -4.84 118.95 124.89 1lqu s ARG 77 Ca 0.08 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1lqu s ARG 77 Cb -0.12 -0.82 -0.02 0.00 0.52 0.00 0.00 34.95 34.51 1lqu s ARG 77 CO 0.02 0.20 -0.16 0.12 0.02 0.00 0.00 175.30 175.50 1lqu s PHE 78 N -0.83 2.67 -0.33 -0.53 5.36 -1.26 -0.54 117.98 122.52 1lqu s PHE 78 Ca 0.00 -0.45 -0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1lqu s PHE 78 Cb -0.07 -1.69 0.11 0.00 -0.34 0.00 0.00 43.02 41.02 1lqu s PHE 78 CO 0.01 -0.04 0.13 -0.06 -1.46 0.00 0.00 175.22 173.80 1lqu s PHE 79 N -0.25 1.64 0.61 10.12 0.08 0.52 -3.46 117.98 127.24 1lqu s PHE 79 Ca 0.01 -1.80 -0.04 0.00 0.12 0.00 0.00 56.93 55.21 1lqu s PHE 79 Cb -0.13 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1lqu s PHE 79 CO 0.03 -0.86 0.89 0.20 -0.10 0.00 0.00 175.22 175.38 1lqu s GLY 80 N 1.42 1.67 -1.69 4.36 0.00 0.78 -1.15 107.32 112.71 1lqu s GLY 80 Ca 0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1lqu s GLY 80 CO -0.20 -0.62 0.21 -2.01 0.00 0.00 0.00 173.10 170.47 1lqu n ASN 81 N -2.61 -5.95 -4.13 1.64 5.15 -0.02 -0.80 115.26 108.53 1lqu n ASN 81 Ca 0.06 -0.11 -0.33 0.00 -0.60 0.00 0.00 54.58 53.60 1lqu n ASN 81 Cb 0.59 -4.89 -0.15 0.00 -0.53 0.00 0.00 39.78 34.80 1lqu n ASN 81 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1lqu s VAL 82 N -3.08 2.44 -0.41 3.44 1.01 -0.26 -4.69 120.40 118.86 1lqu s VAL 82 Ca 0.10 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1lqu s VAL 82 Cb -0.05 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1lqu s VAL 82 CO 0.13 0.16 0.28 -0.69 0.00 0.00 0.00 175.10 174.98 1lqu s VAL 83 N 1.23 5.06 0.03 2.92 1.01 -1.26 -2.64 120.40 126.76 1lqu s VAL 83 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1lqu s VAL 83 Cb -0.17 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1lqu s VAL 83 CO -0.06 -0.31 1.20 -0.69 0.00 0.00 0.00 175.10 175.23 1lqu s VAL 84 N 1.64 4.11 0.00 2.92 1.01 -1.26 -1.05 120.40 127.77 1lqu s VAL 84 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1lqu s VAL 84 Cb -0.19 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1lqu s VAL 84 CO 0.09 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1lqu n GLY 85 N 3.25 1.52 0.96 4.51 0.00 0.83 -4.88 105.19 111.36 1lqu n GLY 85 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1lqu n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lqu n GLU 86 N -1.53 0.01 0.05 1.61 2.13 -0.31 -4.89 120.64 117.70 1lqu n GLU 86 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.65 1lqu n GLU 86 Cb 0.00 -0.12 -0.08 0.00 0.27 0.00 0.00 31.44 31.51 1lqu n GLU 86 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1lqu h HIS 87 N -0.01 0.90 -3.97 4.31 3.86 -1.43 -3.46 115.15 115.35 1lqu h HIS 87 Ca 0.00 -0.48 -0.22 0.00 -1.16 0.00 0.00 60.37 58.50 1lqu h HIS 87 Cb 0.01 -0.11 -0.19 0.00 1.06 0.00 0.00 27.41 28.18 1lqu h HIS 87 CO -0.00 1.31 -0.71 0.14 0.86 0.00 0.00 177.93 179.53 1lqu s VAL 88 N -3.33 0.42 0.16 2.45 -7.23 -1.25 -4.85 120.40 106.78 1lqu s VAL 88 Ca -0.08 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1lqu s VAL 88 Cb 0.08 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1lqu s VAL 88 CO 0.90 -0.56 0.03 -1.10 -0.31 0.00 0.00 175.10 174.06 1lqu s GLN 89 N -2.18 2.54 0.26 4.82 -1.52 -1.26 -0.12 119.66 122.20 1lqu s GLN 89 Ca -0.06 -1.01 -0.01 0.00 -1.95 0.00 0.00 55.36 52.33 1lqu s GLN 89 Cb -0.06 -2.45 0.56 0.00 -0.22 0.00 0.00 33.01 30.85 1lqu s GLN 89 CO -0.02 0.47 1.72 -1.35 -0.25 0.00 0.00 175.29 175.87 1lqu h PRO 90 N 2.73 0.45 0.00 2.91 0.11 -1.93 -0.30 132.00 135.96 1lqu h PRO 90 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1lqu h PRO 90 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1lqu h PRO 90 CO 0.59 0.30 -0.07 0.78 -0.21 0.00 0.00 178.00 179.39 1lqu h GLY 91 N 0.46 0.00 1.00 -0.55 0.00 -1.90 -0.42 103.07 101.66 1lqu h GLY 91 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.52 1lqu h GLY 91 CO -0.44 0.00 -1.26 0.83 0.00 0.00 0.00 176.54 175.67 1lqu h GLU 92 N 0.00 0.44 -0.55 4.80 5.08 -1.50 -3.26 114.58 119.60 1lqu h GLU 92 Ca -0.00 -0.75 -0.07 0.00 -1.00 0.00 0.00 59.36 57.54 1lqu h GLU 92 Cb 0.33 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1lqu h GLU 92 CO 0.01 1.36 0.07 -0.07 -1.00 0.00 0.00 179.01 179.38 1lqu h LEU 93 N -0.06 0.83 -1.76 1.33 3.38 -0.80 -2.65 115.31 115.59 1lqu h LEU 93 Ca -0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1lqu h LEU 93 Cb 1.97 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1lqu h LEU 93 CO 0.22 0.85 -0.11 0.77 0.09 0.00 0.00 178.44 180.27 1lqu h SER 94 N 0.83 0.00 1.03 -0.43 4.64 -1.20 -1.73 113.55 116.70 1lqu h SER 94 Ca 0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 1lqu h SER 94 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1lqu h SER 94 CO 0.01 0.11 -1.00 -0.33 -0.87 0.00 0.00 176.83 174.75 1lqu h GLU 95 N 0.00 0.00 -0.01 4.77 4.39 -1.52 -3.37 114.58 118.85 1lqu h GLU 95 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lqu h GLU 95 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1lqu h GLU 95 CO 0.01 0.78 -0.74 0.54 -1.16 0.00 0.00 179.01 178.44 1lqu n ARG 96 N -3.25 0.50 -4.18 2.33 1.74 -0.86 -4.95 116.66 107.99 1lqu n ARG 96 Ca -0.02 -0.41 -0.17 0.00 -0.77 0.00 0.00 57.85 56.48 1lqu n ARG 96 Cb 0.90 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 1lqu n ARG 96 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1lqu s TYR 97 N -2.78 1.18 0.25 -1.55 1.51 -0.71 -5.00 117.35 110.26 1lqu s TYR 97 Ca 0.13 -0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1lqu s TYR 97 Cb 0.17 -0.65 0.30 0.00 -0.11 0.00 0.00 41.96 41.68 1lqu s TYR 97 CO 0.73 0.05 1.78 -0.44 -1.11 0.00 0.00 175.55 176.56 1lqu h ASP 98 N 3.89 0.86 -5.04 2.29 5.19 -1.11 -3.45 116.42 119.05 1lqu h ASP 98 Ca -0.39 -0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 55.76 1lqu h ASP 98 Cb 1.19 -0.23 -0.17 0.00 0.18 0.00 0.00 39.33 40.31 1lqu h ASP 98 CO 0.46 0.85 -0.13 0.00 -3.12 0.00 0.00 179.24 177.31 1lqu s ALA 99 N -5.18 -0.94 -0.06 3.45 0.00 -1.20 -4.86 121.76 112.98 1lqu s ALA 99 Ca -0.10 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1lqu s ALA 99 Cb 0.15 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1lqu s ALA 99 CO 0.82 -0.45 -0.12 0.08 0.00 0.00 0.00 175.76 176.09 1lqu s VAL 100 N -2.50 1.07 -0.22 0.00 1.01 -0.42 -1.88 120.40 117.45 1lqu s VAL 100 Ca -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1lqu s VAL 100 Cb -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1lqu s VAL 100 CO -0.03 0.34 -0.04 -0.63 0.00 0.00 0.00 175.10 174.74 1lqu s ILE 101 N 0.58 3.37 -0.27 2.22 1.01 0.46 -0.55 121.20 128.02 1lqu s ILE 101 Ca -0.12 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 1lqu s ILE 101 Cb -0.15 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1lqu s ILE 101 CO 0.03 0.41 0.63 -0.31 0.00 0.00 0.00 174.94 175.70 1lqu s TYR 102 N 1.48 3.26 -0.36 3.97 1.51 0.11 -0.31 117.35 127.00 1lqu s TYR 102 Ca 0.06 0.75 0.13 0.00 -1.01 0.00 0.00 57.07 56.99 1lqu s TYR 102 Cb -0.14 -2.90 0.45 0.00 -0.11 0.00 0.00 41.96 39.26 1lqu s TYR 102 CO -0.03 -0.38 1.05 0.00 -1.11 0.00 0.00 175.55 175.08 1lqu n ALA 103 N 5.78 4.11 1.31 3.71 0.00 0.81 -1.82 120.51 134.41 1lqu n ALA 103 Ca -0.01 -3.61 0.14 0.00 0.00 0.00 0.00 53.44 49.96 1lqu n ALA 103 Cb 0.49 -0.72 0.51 0.00 0.00 0.00 0.00 19.45 19.72 1lqu n ALA 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1lqu n VAL 104 N -0.34 0.00 -4.77 0.00 0.24 -1.22 -4.43 118.33 107.81 1lqu n VAL 104 Ca 0.23 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1lqu n VAL 104 Cb 0.77 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1lqu n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lqu n GLY 105 N 1.32 0.44 3.01 7.63 0.00 -1.26 -4.53 105.19 111.80 1lqu n GLY 105 Ca 0.13 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1lqu n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqu s ALA 106 N -1.77 2.81 -1.72 4.61 0.00 -1.26 -4.02 121.76 120.41 1lqu s ALA 106 Ca 0.00 -2.44 0.26 0.00 0.00 0.00 0.00 51.96 49.78 1lqu s ALA 106 Cb 0.00 -1.93 0.69 0.00 0.00 0.00 0.00 23.12 21.88 1lqu s ALA 106 CO 0.00 -1.65 1.52 1.04 0.00 0.00 0.00 175.76 176.67 1lqu n GLN 107 N 4.29 0.80 -1.26 0.00 1.13 -1.06 -4.42 117.38 116.86 1lqu n GLN 107 Ca 0.02 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.60 1lqu n GLN 107 Cb 0.42 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1lqu n GLN 107 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1lqu n SER 108 N -0.67 1.50 -4.31 1.08 2.88 -0.04 -4.97 113.62 109.09 1lqu n SER 108 Ca 0.12 -0.63 -0.23 0.00 -1.33 0.00 0.00 58.87 56.79 1lqu n SER 108 Cb 0.35 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 1lqu n SER 108 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1lqu s ASP 109 N -0.26 2.63 0.26 -3.46 1.47 -1.26 -0.37 116.67 115.68 1lqu s ASP 109 Ca 0.00 -0.75 -0.29 0.00 1.18 0.00 0.00 52.55 52.69 1lqu s ASP 109 Cb 0.00 -0.15 -0.09 0.00 -0.34 0.00 0.00 42.92 42.34 1lqu s ASP 109 CO 0.00 0.04 0.98 -0.13 0.68 0.00 0.00 175.17 176.74 1lqu s ARG 110 N -2.20 4.76 0.20 2.11 0.52 -0.41 -4.67 118.95 119.26 1lqu s ARG 110 Ca 0.10 1.55 0.02 0.00 -0.52 0.00 0.00 55.73 56.88 1lqu s ARG 110 Cb -0.09 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1lqu s ARG 110 CO 0.05 0.40 0.36 -1.64 0.02 0.00 0.00 175.30 174.49 1lqu s MET 111 N -1.36 3.47 0.15 3.54 -1.94 -1.26 -4.70 119.30 117.20 1lqu s MET 111 Ca 0.43 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.98 1lqu s MET 111 Cb -0.27 -2.88 -0.10 0.00 2.01 0.00 0.00 34.83 33.59 1lqu s MET 111 CO 0.33 0.43 1.34 -0.07 -0.01 0.00 0.00 175.02 177.05 1lqu h LEU 112 N 1.83 0.00 -2.30 -0.03 3.38 -1.99 -3.49 115.31 112.72 1lqu h LEU 112 Ca -0.49 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.18 1lqu h LEU 112 Cb 1.20 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.12 1lqu h LEU 112 CO 0.67 0.91 -0.85 0.59 0.09 0.00 0.00 178.44 179.85 1lqu n ASN 113 N -3.41 -4.96 -4.22 -0.43 3.02 -1.26 -5.04 115.26 98.96 1lqu n ASN 113 Ca -0.00 -0.74 -0.15 0.00 -0.03 0.00 0.00 54.58 53.66 1lqu n ASN 113 Cb 0.88 -4.88 -0.11 0.00 -0.61 0.00 0.00 39.78 35.06 1lqu n ASN 113 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1lqu s ILE 114 N -3.42 1.13 0.39 2.41 -4.36 -1.26 -5.12 121.20 110.98 1lqu s ILE 114 Ca 0.32 -1.79 -0.27 0.00 -0.26 0.00 0.00 60.65 58.64 1lqu s ILE 114 Cb -0.05 -1.56 -0.10 0.00 1.25 0.00 0.00 42.46 42.00 1lqu s ILE 114 CO 0.76 -0.57 1.44 -2.84 0.24 0.00 0.00 174.94 173.96 1lqu s PRO 115 N -3.05 4.01 0.00 0.37 0.02 -1.26 -2.58 135.00 132.52 1lqu s PRO 115 Ca 0.10 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1lqu s PRO 115 Cb -0.02 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.63 1lqu s PRO 115 CO 0.01 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1lqu n GLY 116 N 0.55 1.04 0.31 0.52 0.00 -1.25 -0.81 105.19 105.54 1lqu n GLY 116 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.22 1lqu n GLY 116 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lqu h GLU 117 N 3.34 0.00 -0.01 1.61 4.81 -1.77 -1.62 114.58 120.94 1lqu h GLU 117 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lqu h GLU 117 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1lqu h GLU 117 CO 0.00 0.01 -0.10 -0.40 -0.73 0.00 0.00 179.01 177.79 1lqu n ASP 118 N -3.57 1.06 -4.76 1.04 5.75 -1.26 -4.66 116.55 110.14 1lqu n ASP 118 Ca -0.03 -1.12 -0.39 0.00 -0.01 0.00 0.00 54.79 53.25 1lqu n ASP 118 Cb 0.09 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1lqu n ASP 118 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1lqu s LEU 119 N -2.23 4.09 0.20 -2.12 1.43 -0.61 -4.91 118.68 114.52 1lqu s LEU 119 Ca 0.33 2.56 -0.32 0.00 -1.03 0.00 0.00 54.13 55.67 1lqu s LEU 119 Cb 0.20 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 42.21 1lqu s LEU 119 CO 0.42 -1.00 1.35 -2.65 0.23 0.00 0.00 176.35 174.70 1lqu n PRO 120 N -0.26 1.72 -0.00 1.29 -0.02 -1.26 -1.19 135.00 135.28 1lqu n PRO 120 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1lqu n PRO 120 Cb 0.45 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1lqu n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqu n GLY 121 N 2.30 0.11 3.23 -1.23 0.00 -1.26 -0.89 105.19 107.46 1lqu n GLY 121 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1lqu n GLY 121 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lqu s SER 122 N -2.13 4.91 0.19 1.61 0.15 -0.33 -0.72 113.70 117.38 1lqu s SER 122 Ca 0.00 -1.06 0.01 0.00 0.70 0.00 0.00 55.95 55.60 1lqu s SER 122 Cb 0.00 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1lqu s SER 122 CO 0.00 -0.24 0.06 0.27 1.20 0.00 0.00 173.24 174.53 1lqu s ILE 123 N 1.35 0.40 0.30 6.45 -4.36 -0.26 -4.72 121.20 120.36 1lqu s ILE 123 Ca -0.02 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 1lqu s ILE 123 Cb -0.19 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 1lqu s ILE 123 CO -0.00 -0.28 0.55 0.00 0.24 0.00 0.00 174.94 175.45 1lqu s ALA 124 N -3.86 3.65 0.41 2.27 0.00 -1.26 -0.77 121.76 122.20 1lqu s ALA 124 Ca 0.30 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.68 1lqu s ALA 124 Cb 0.07 -2.25 0.87 0.00 0.00 0.00 0.00 23.12 21.81 1lqu s ALA 124 CO 0.07 0.18 2.06 0.00 0.00 0.00 0.00 175.76 178.07 1lqu h ALA 125 N 1.45 1.72 -0.60 0.00 0.00 -1.02 -1.12 119.26 119.69 1lqu h ALA 125 Ca -0.48 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.51 1lqu h ALA 125 Cb 1.20 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1lqu h ALA 125 CO 0.65 0.26 0.14 0.28 0.00 0.00 0.00 179.25 180.59 1lqu h VAL 126 N 0.55 0.66 0.06 0.00 2.07 -1.92 0.17 116.25 117.82 1lqu h VAL 126 Ca 0.15 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1lqu h VAL 126 Cb -0.06 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1lqu h VAL 126 CO -0.03 0.05 -0.03 0.44 0.02 0.00 0.00 177.57 178.02 1lqu h ASP 127 N 0.28 -0.07 -0.22 0.57 3.45 -1.68 -1.14 116.42 117.62 1lqu h ASP 127 Ca 0.32 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 1lqu h ASP 127 Cb 0.46 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1lqu h ASP 127 CO -0.39 0.16 0.08 0.15 -1.57 0.00 0.00 179.24 177.67 1lqu h PHE 128 N -0.30 0.34 -0.22 4.55 3.57 -0.68 0.16 116.94 124.35 1lqu h PHE 128 Ca -0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1lqu h PHE 128 Cb 0.26 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1lqu h PHE 128 CO -0.00 0.39 0.12 0.28 -2.23 0.00 0.00 178.31 176.87 1lqu h VAL 129 N 0.19 1.12 -0.78 1.41 2.07 -0.76 -0.08 116.25 119.42 1lqu h VAL 129 Ca 0.07 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1lqu h VAL 129 Cb 0.20 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1lqu h VAL 129 CO -0.00 0.12 0.46 1.23 0.02 0.00 0.00 177.57 179.40 1lqu h GLY 130 N 0.25 1.17 0.89 2.17 0.00 -1.02 0.18 103.07 106.70 1lqu h GLY 130 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1lqu h GLY 130 CO -0.01 0.20 0.03 -0.25 0.00 0.00 0.00 176.54 176.51 1lqu h TRP 131 N 0.83 0.09 0.00 5.60 7.01 -0.56 0.29 115.95 129.21 1lqu h TRP 131 Ca 0.35 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1lqu h TRP 131 Cb 0.21 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1lqu h TRP 131 CO -0.05 0.18 0.00 0.10 -2.79 0.00 0.00 178.44 175.88 1lqu h TYR 132 N -0.02 0.00 -0.66 2.65 -0.00 -0.66 -2.49 116.97 115.79 1lqu h TYR 132 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1lqu h TYR 132 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.85 1lqu h TYR 132 CO -0.03 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.22 1lqu n ASN 133 N -2.74 4.13 -2.31 0.10 3.02 0.02 -0.85 115.26 116.63 1lqu n ASN 133 Ca 0.02 -2.21 -0.19 0.00 -0.03 0.00 0.00 54.58 52.17 1lqu n ASN 133 Cb 0.35 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1lqu n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lqu n ALA 134 N 1.30 -0.65 -2.18 5.41 0.00 -0.84 -4.79 120.51 118.76 1lqu n ALA 134 Ca 0.24 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1lqu n ALA 134 Cb 0.72 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1lqu n ALA 134 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1lqu s HIS 135 N -2.99 2.95 0.52 0.00 2.46 0.03 -4.53 115.29 113.73 1lqu s HIS 135 Ca 0.09 0.82 0.36 0.00 0.47 0.00 0.00 55.06 56.80 1lqu s HIS 135 Cb -0.04 -3.70 1.95 0.00 -0.13 0.00 0.00 32.58 30.66 1lqu s HIS 135 CO 0.11 -2.56 2.23 -1.00 -2.47 0.00 0.00 174.74 171.05 1lqu h PRO 136 N 7.52 0.00 0.00 2.88 0.13 -1.88 -1.14 132.00 139.51 1lqu h PRO 136 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1lqu h PRO 136 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lqu h PRO 136 CO 0.89 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 179.41 1lqu n HIS 137 N -3.36 0.00 -1.03 1.56 8.25 -1.26 -3.52 115.22 115.86 1lqu n HIS 137 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1lqu n HIS 137 Cb 0.14 -0.35 0.08 0.00 1.12 0.00 0.00 29.99 30.99 1lqu n HIS 137 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1lqu n PHE 138 N -1.35 0.00 0.21 4.41 3.72 -0.43 -4.78 117.46 119.24 1lqu n PHE 138 Ca 0.11 -0.69 0.06 0.00 -0.05 0.00 0.00 57.45 56.87 1lqu n PHE 138 Cb 0.23 -0.11 0.53 0.00 -0.94 0.00 0.00 39.48 39.20 1lqu n PHE 138 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1lqu h GLU 139 N 0.00 0.05 -0.67 -1.08 4.81 -1.59 -2.73 114.58 113.37 1lqu h GLU 139 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1lqu h GLU 139 Cb 0.98 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1lqu h GLU 139 CO 0.00 0.15 0.00 1.04 -0.73 0.00 0.00 179.01 179.47 1lqu n GLN 140 N -4.40 3.59 -0.08 1.92 1.13 -1.26 -4.43 117.38 113.85 1lqu n GLN 140 Ca -0.02 -2.86 -0.09 0.00 -1.94 0.00 0.00 57.00 52.08 1lqu n GLN 140 Cb 0.19 -1.85 -0.02 0.00 0.11 0.00 0.00 30.24 28.67 1lqu n GLN 140 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1lqu h VAL 141 N 4.13 1.09 -6.80 5.09 2.07 -1.85 -3.46 116.25 116.52 1lqu h VAL 141 Ca 0.00 -0.19 -0.56 0.00 0.82 0.00 0.00 66.70 66.77 1lqu h VAL 141 Cb 1.39 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1lqu h VAL 141 CO 0.20 0.08 -1.00 -1.20 0.02 0.00 0.00 177.57 175.67 1lqu n SER 142 N -4.88 -4.44 -4.79 0.57 7.64 -1.26 -4.88 113.62 101.58 1lqu n SER 142 Ca -0.02 -1.22 -0.34 0.00 1.01 0.00 0.00 58.87 58.30 1lqu n SER 142 Cb 0.04 -1.96 -0.01 0.00 -1.01 0.00 0.00 64.21 61.27 1lqu n SER 142 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1lqu s PRO 143 N -6.94 3.49 -0.38 1.43 0.04 -1.26 -4.97 135.00 126.41 1lqu s PRO 143 Ca 0.44 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 1lqu s PRO 143 Cb -0.23 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1lqu s PRO 143 CO 0.95 -0.71 1.01 0.34 0.04 0.00 0.00 177.00 178.63 1lqu s ASP 144 N -2.03 6.74 -0.26 6.66 -1.08 -1.26 -4.89 116.67 120.55 1lqu s ASP 144 Ca 0.69 0.68 0.12 0.00 -0.52 0.00 0.00 52.55 53.53 1lqu s ASP 144 Cb -0.20 -2.51 0.62 0.00 -1.46 0.00 0.00 42.92 39.37 1lqu s ASP 144 CO 0.26 -0.95 1.59 0.18 0.52 0.00 0.00 175.17 176.77 1lqu n LEU 145 N 7.04 4.83 0.07 -1.34 4.77 -1.26 -4.60 117.00 126.50 1lqu n LEU 145 Ca 0.10 -3.25 0.12 0.00 -0.03 0.00 0.00 56.01 52.94 1lqu n LEU 145 Cb 0.48 -0.64 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1lqu n LEU 145 CO 0.61 0.84 0.16 -1.54 -1.33 0.00 0.00 177.39 176.14 1lqu n SER 146 N -0.47 0.72 -4.84 -1.43 3.41 -1.26 -3.67 113.62 106.08 1lqu n SER 146 Ca 0.31 0.12 -0.32 0.00 -0.26 0.00 0.00 58.87 58.72 1lqu n SER 146 Cb 1.12 0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 65.43 1lqu n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1lqu s GLY 147 N -3.89 2.12 0.36 5.00 0.00 -1.26 -4.62 107.32 105.03 1lqu s GLY 147 Ca 0.03 0.17 0.13 0.00 0.00 0.00 0.00 44.72 45.05 1lqu s GLY 147 CO 0.76 0.43 1.80 0.00 0.00 0.00 0.00 173.10 176.09 1lqu h ALA 148 N 1.18 1.30 -3.44 3.20 0.00 -1.93 -3.27 119.26 116.30 1lqu h ALA 148 Ca -0.47 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 1lqu h ALA 148 Cb 1.18 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 1lqu h ALA 148 CO 0.62 0.50 -0.84 0.50 0.00 0.00 0.00 179.25 180.03 1lqu s ARG 149 N -4.08 2.19 0.06 0.00 3.52 -1.26 -0.41 118.95 118.97 1lqu s ARG 149 Ca -0.02 -0.60 0.07 0.00 -0.13 0.00 0.00 55.73 55.05 1lqu s ARG 149 Cb 0.14 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1lqu s ARG 149 CO 0.73 0.11 -0.17 0.00 -0.81 0.00 0.00 175.30 175.15 1lqu s ALA 150 N 0.48 2.65 -0.10 6.12 0.00 -0.39 -1.39 121.76 129.13 1lqu s ALA 150 Ca -0.15 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1lqu s ALA 150 Cb -0.16 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1lqu s ALA 150 CO 0.05 0.58 -0.23 0.08 0.00 0.00 0.00 175.76 176.24 1lqu s VAL 151 N -0.99 2.13 -0.17 0.00 1.01 0.16 -0.92 120.40 121.61 1lqu s VAL 151 Ca 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1lqu s VAL 151 Cb -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1lqu s VAL 151 CO 0.07 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.90 1lqu s VAL 152 N 0.33 2.74 -0.17 2.92 1.01 0.34 -0.62 120.40 126.96 1lqu s VAL 152 Ca -0.18 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1lqu s VAL 152 Cb -0.18 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1lqu s VAL 152 CO 0.09 0.50 0.33 -0.63 0.00 0.00 0.00 175.10 175.39 1lqu s ILE 153 N 1.04 5.27 0.00 2.22 -1.09 -0.24 -0.59 121.20 127.81 1lqu s ILE 153 Ca -0.01 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1lqu s ILE 153 Cb -0.15 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1lqu s ILE 153 CO -0.03 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1lqu n GLY 154 N 3.50 3.54 2.29 6.18 0.00 0.00 0.06 105.19 120.77 1lqu n GLY 154 Ca -0.11 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1lqu n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lqu n ASN 155 N 0.00 2.92 -4.88 1.61 5.03 -1.26 -4.40 115.26 114.27 1lqu n ASN 155 Ca 0.00 -2.84 -0.22 0.00 0.87 0.00 0.00 54.58 52.39 1lqu n ASN 155 Cb 0.00 -0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 38.32 1lqu n ASN 155 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1lqu s GLY 156 N -3.57 2.18 0.55 7.41 0.00 -1.26 -0.57 107.32 112.06 1lqu s GLY 156 Ca 0.38 -1.78 0.30 0.00 0.00 0.00 0.00 44.72 43.62 1lqu s GLY 156 CO -0.02 -1.77 2.12 3.43 0.00 0.00 0.00 173.10 176.87 1lqu h ASN 157 N 0.93 0.00 -0.28 1.64 2.35 -1.95 -1.57 115.58 116.70 1lqu h ASN 157 Ca -0.40 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1lqu h ASN 157 Cb 1.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 1lqu h ASN 157 CO 0.57 0.08 -0.04 0.58 -1.65 0.00 0.00 177.43 176.97 1lqu h VAL 158 N 0.00 1.23 -0.94 2.81 2.07 -1.95 -1.58 116.25 117.89 1lqu h VAL 158 Ca -0.00 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1lqu h VAL 158 Cb 0.27 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1lqu h VAL 158 CO 0.01 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.55 1lqu h ALA 159 N 1.36 1.35 -0.38 1.67 0.00 -1.57 -1.07 119.26 120.62 1lqu h ALA 159 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 159 Cb 0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lqu h ALA 159 CO 0.02 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 1lqu h LEU 160 N 1.25 0.66 -0.38 0.00 3.38 -1.38 -1.84 115.31 117.00 1lqu h LEU 160 Ca 0.35 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1lqu h LEU 160 Cb -0.11 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1lqu h LEU 160 CO -0.08 0.81 0.13 0.44 0.09 0.00 0.00 178.44 179.82 1lqu h ASP 161 N 0.50 0.14 -0.23 -0.43 3.32 -0.75 0.16 116.42 119.14 1lqu h ASP 161 Ca 0.11 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1lqu h ASP 161 Cb 0.47 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1lqu h ASP 161 CO 0.02 0.12 0.01 0.58 -1.72 0.00 0.00 179.24 178.24 1lqu h VAL 162 N 0.29 0.84 -0.74 -1.35 2.07 -1.07 -0.95 116.25 115.35 1lqu h VAL 162 Ca 0.17 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1lqu h VAL 162 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1lqu h VAL 162 CO -0.17 0.01 0.38 0.00 0.02 0.00 0.00 177.57 177.81 1lqu h ALA 163 N 1.19 0.94 -0.41 1.67 0.00 -1.04 -1.90 119.26 119.71 1lqu h ALA 163 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1lqu h ALA 163 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1lqu h ALA 163 CO -0.18 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.71 1lqu h ARG 164 N 1.02 0.62 -0.26 0.00 3.08 -0.55 -2.40 114.38 115.88 1lqu h ARG 164 Ca 0.26 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1lqu h ARG 164 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1lqu h ARG 164 CO -0.04 0.59 -0.11 0.82 -1.07 0.00 0.00 179.97 180.16 1lqu h ILE 165 N 0.52 1.22 0.00 2.04 1.08 -0.93 0.92 117.51 122.36 1lqu h ILE 165 Ca 0.14 -0.94 -0.06 0.00 -0.39 0.00 0.00 64.86 63.61 1lqu h ILE 165 Cb 0.20 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1lqu h ILE 165 CO -0.01 0.31 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.40 1lqu h LEU 166 N 0.41 0.00 0.00 1.44 3.38 -1.06 -3.32 115.31 116.15 1lqu h LEU 166 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lqu h LEU 166 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1lqu h LEU 166 CO 0.03 0.28 -0.80 0.18 0.09 0.00 0.00 178.44 178.22 1lqu n LEU 167 N -3.50 0.21 -4.77 1.67 4.77 -0.93 -4.75 117.00 109.70 1lqu n LEU 167 Ca -0.00 -0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.29 1lqu n LEU 167 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1lqu n LEU 167 CO 0.35 0.05 0.92 -0.89 -1.33 0.00 0.00 177.39 176.49 1lqu s THR 168 N -2.09 2.92 -0.12 -5.08 2.01 0.28 -4.86 115.64 108.70 1lqu s THR 168 Ca 0.00 0.91 -0.37 0.00 0.31 0.00 0.00 61.69 62.54 1lqu s THR 168 Cb 0.06 -3.57 -0.15 0.00 0.01 0.00 0.00 72.50 68.85 1lqu s THR 168 CO 0.33 0.20 1.68 -0.67 -0.69 0.00 0.00 174.62 175.47 1lqu n ASP 169 N 0.79 2.56 0.31 3.53 -0.08 -1.26 -4.83 116.55 117.57 1lqu n ASP 169 Ca 0.00 1.06 0.17 0.00 -1.51 0.00 0.00 54.79 54.51 1lqu n ASP 169 Cb 0.43 -1.23 0.98 0.00 2.34 0.00 0.00 41.12 43.63 1lqu n ASP 169 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1lqu h PRO 170 N 7.04 0.00 0.00 -0.67 0.13 -1.90 0.10 132.00 136.70 1lqu h PRO 170 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1lqu h PRO 170 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1lqu h PRO 170 CO 0.91 0.00 -0.23 -0.44 -0.23 0.00 0.00 178.00 178.01 1lqu h ASP 171 N 0.00 0.00 -0.01 1.44 3.32 -1.97 0.46 116.42 119.66 1lqu h ASP 171 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1lqu h ASP 171 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1lqu h ASP 171 CO 0.00 0.23 -0.42 0.58 -1.72 0.00 0.00 179.24 177.91 1lqu h VAL 172 N 0.00 1.47 0.00 -1.35 2.07 -1.35 -3.28 116.25 113.81 1lqu h VAL 172 Ca -0.00 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1lqu h VAL 172 Cb 0.44 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1lqu h VAL 172 CO 0.03 0.56 -0.11 -0.07 0.02 0.00 0.00 177.57 178.00 1lqu h LEU 173 N -0.26 0.00 -1.34 2.57 3.38 -1.09 -2.24 115.31 116.33 1lqu h LEU 173 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1lqu h LEU 173 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1lqu h LEU 173 CO 0.08 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1lqu h ALA 174 N 1.89 1.00 -0.66 1.53 0.00 -0.97 -1.46 119.26 120.59 1lqu h ALA 174 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 174 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1lqu h ALA 174 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1lqu n ARG 175 N -2.48 3.27 -4.10 0.00 5.12 -0.84 -4.81 116.66 112.82 1lqu n ARG 175 Ca 0.00 -2.68 -0.27 0.00 -1.93 0.00 0.00 57.85 52.98 1lqu n ARG 175 Cb 0.16 -1.76 -0.04 0.00 -1.16 0.00 0.00 32.46 29.66 1lqu n ARG 175 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1lqu s THR 176 N -1.55 1.79 -0.95 0.55 -4.23 -0.55 -4.23 115.64 106.47 1lqu s THR 176 Ca 0.49 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1lqu s THR 176 Cb 0.29 -2.42 0.21 0.00 1.34 0.00 0.00 72.50 71.92 1lqu s THR 176 CO 0.27 0.00 0.86 -0.90 -0.54 0.00 0.00 174.62 174.31 1lqu n ASP 177 N -1.52 2.10 -4.57 3.99 5.68 -1.26 -4.71 116.55 116.27 1lqu n ASP 177 Ca -0.05 -2.21 -0.39 0.00 -0.50 0.00 0.00 54.79 51.64 1lqu n ASP 177 Cb 0.65 -0.50 0.04 0.00 -1.14 0.00 0.00 41.12 40.16 1lqu n ASP 177 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lqu n ILE 178 N 0.15 2.92 -1.72 2.12 3.06 -1.26 -4.63 119.36 120.00 1lqu n ILE 178 Ca 0.07 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.40 1lqu n ILE 178 Cb 0.46 -1.00 -0.01 0.00 0.54 0.00 0.00 39.64 39.63 1lqu n ILE 178 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1lqu n ALA 179 N -1.39 1.76 -0.22 1.51 0.00 -0.03 -4.81 120.51 117.34 1lqu n ALA 179 Ca 0.12 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.96 1lqu n ALA 179 Cb 0.45 -2.34 0.28 0.00 0.00 0.00 0.00 19.45 17.84 1lqu n ALA 179 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1lqu h ASP 180 N 3.51 0.81 -0.14 0.00 3.32 -1.90 -1.20 116.42 120.82 1lqu h ASP 180 Ca -0.47 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1lqu h ASP 180 Cb 1.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1lqu h ASP 180 CO 0.70 0.56 -0.07 1.12 -1.72 0.00 0.00 179.24 179.82 1lqu h HIS 181 N 0.94 0.48 -0.08 4.55 2.07 -1.93 -0.80 115.15 120.37 1lqu h HIS 181 Ca 0.30 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.61 1lqu h HIS 181 Cb 0.04 -0.13 0.01 0.00 2.57 0.00 0.00 27.41 29.89 1lqu h HIS 181 CO -0.00 0.53 -0.54 0.00 -3.07 0.00 0.00 177.93 174.84 1lqu h ALA 182 N 1.50 0.18 -0.65 6.11 0.00 -1.60 -2.80 119.26 121.99 1lqu h ALA 182 Ca 0.09 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1lqu h ALA 182 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1lqu h ALA 182 CO 0.02 0.39 0.31 1.25 0.00 0.00 0.00 179.25 181.23 1lqu h LEU 183 N 0.09 0.41 -0.78 0.00 5.85 -0.96 -0.78 115.31 119.15 1lqu h LEU 183 Ca -0.04 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1lqu h LEU 183 Cb 1.20 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1lqu h LEU 183 CO 0.11 0.25 0.49 -0.33 -0.34 0.00 0.00 178.44 178.62 1lqu h GLU 184 N 0.56 0.92 0.00 1.25 5.08 -1.13 -0.81 114.58 120.45 1lqu h GLU 184 Ca 0.31 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1lqu h GLU 184 Cb 0.30 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1lqu h GLU 184 CO -0.24 0.61 -0.28 0.77 -1.00 0.00 0.00 179.01 178.86 1lqu h SER 185 N 0.94 0.00 0.99 1.42 0.02 -1.06 -3.16 113.55 112.71 1lqu h SER 185 Ca 0.32 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1lqu h SER 185 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1lqu h SER 185 CO -0.12 0.28 -1.03 -0.07 -1.14 0.00 0.00 176.83 174.75 1lqu h LEU 186 N 0.00 0.00 -1.01 5.07 3.38 -0.55 -3.39 115.31 118.81 1lqu h LEU 186 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1lqu h LEU 186 Cb 0.82 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1lqu h LEU 186 CO 0.04 0.12 0.64 0.03 0.09 0.00 0.00 178.44 179.35 1lqu h ARG 187 N 0.00 1.00 0.00 1.13 3.08 -1.13 -1.64 114.38 116.81 1lqu h ARG 187 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1lqu h ARG 187 Cb 1.12 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1lqu h ARG 187 CO 0.01 0.66 0.00 -2.30 -1.07 0.00 0.00 179.97 177.27 1lqu n PRO 188 N -4.60 0.09 -3.66 0.04 -0.02 -1.26 -4.89 135.00 120.70 1lqu n PRO 188 Ca 0.18 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1lqu n PRO 188 Cb 0.33 -1.74 0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1lqu n PRO 188 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lqu n ARG 189 N -1.92 -6.12 -0.21 -0.52 1.74 -0.62 -4.90 116.66 104.11 1lqu n ARG 189 Ca 0.01 0.71 -0.09 0.00 -0.77 0.00 0.00 57.85 57.71 1lqu n ARG 189 Cb 0.09 -5.57 0.03 0.00 -1.02 0.00 0.00 32.46 25.99 1lqu n ARG 189 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1lqu h GLY 190 N -2.11 1.16 -4.93 -0.13 0.00 -1.82 -3.42 103.07 91.83 1lqu h GLY 190 Ca -0.59 -0.86 -0.56 0.00 0.00 0.00 0.00 47.33 45.32 1lqu h GLY 190 CO 0.57 0.79 0.74 -0.42 0.00 0.00 0.00 176.54 178.22 1lqu s ILE 191 N -5.02 4.50 -0.08 2.60 1.01 -1.23 -3.92 121.20 119.06 1lqu s ILE 191 Ca -0.12 1.80 0.21 0.00 0.00 0.00 0.00 60.65 62.55 1lqu s ILE 191 Cb 0.14 -4.16 -0.31 0.00 0.01 0.00 0.00 42.46 38.13 1lqu s ILE 191 CO 0.86 -0.08 0.38 0.00 0.00 0.00 0.00 174.94 176.10 1lqu n GLN 192 N 5.78 0.67 -3.74 2.79 1.13 0.46 -4.91 117.38 119.55 1lqu n GLN 192 Ca 0.11 -0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 54.91 1lqu n GLN 192 Cb 0.46 -1.52 -0.12 0.00 0.11 0.00 0.00 30.24 29.17 1lqu n GLN 192 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1lqu s GLU 193 N -3.25 0.25 -0.15 -1.09 2.12 -0.72 -1.16 118.70 114.69 1lqu s GLU 193 Ca -0.08 0.51 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 1lqu s GLU 193 Cb 0.12 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.46 1lqu s GLU 193 CO 0.89 -0.13 -0.12 0.08 -0.54 0.00 0.00 175.26 175.44 1lqu s VAL 194 N 0.97 3.01 -0.27 3.70 1.01 -0.22 -1.27 120.40 127.33 1lqu s VAL 194 Ca -0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1lqu s VAL 194 Cb -0.08 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1lqu s VAL 194 CO -0.07 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1lqu s VAL 195 N 0.66 4.39 -0.27 2.92 1.01 -0.10 -0.56 120.40 128.47 1lqu s VAL 195 Ca -0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1lqu s VAL 195 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1lqu s VAL 195 CO 0.02 0.24 0.33 -0.63 0.00 0.00 0.00 175.10 175.06 1lqu s ILE 196 N 1.61 5.21 -0.26 2.22 1.01 0.91 -0.51 121.20 131.39 1lqu s ILE 196 Ca 0.06 0.48 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 1lqu s ILE 196 Cb -0.16 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1lqu s ILE 196 CO 0.04 0.19 -0.06 -0.69 0.00 0.00 0.00 174.94 174.42 1lqu s VAL 197 N 1.93 2.68 -0.12 2.92 1.01 0.24 -0.80 120.40 128.25 1lqu s VAL 197 Ca 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 1lqu s VAL 197 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1lqu s VAL 197 CO 0.10 0.06 0.03 -0.83 0.00 0.00 0.00 175.10 174.46 1lqu s GLY 198 N 1.24 1.90 0.12 4.51 0.00 0.03 -0.82 107.32 114.31 1lqu s GLY 198 Ca -0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 1lqu s GLY 198 CO -0.04 -0.31 1.30 0.07 0.00 0.00 0.00 173.10 174.12 1lqu h ARG 199 N 5.72 0.46 0.00 2.90 0.11 -1.85 0.20 114.38 121.93 1lqu h ARG 199 Ca -0.45 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 59.15 1lqu h ARG 199 Cb 1.19 0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1lqu h ARG 199 CO 0.60 1.13 0.00 0.54 0.10 0.00 0.00 179.97 182.34 1lqu n ARG 200 N -3.77 1.89 -2.69 0.08 1.74 -1.26 -3.59 116.66 109.06 1lqu n ARG 200 Ca -0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.83 1lqu n ARG 200 Cb 0.83 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.33 1lqu n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lqu n GLY 201 N 5.00 1.79 0.35 -0.13 0.00 -1.26 -1.07 105.19 109.87 1lqu n GLY 201 Ca 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 43.93 1lqu n GLY 201 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1lqu h PRO 202 N 0.00 0.52 0.00 1.61 0.11 -1.98 -1.26 132.00 130.99 1lqu h PRO 202 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1lqu h PRO 202 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1lqu h PRO 202 CO 0.34 0.34 0.00 -0.07 -0.21 0.00 0.00 178.00 178.40 1lqu h LEU 203 N 0.53 0.00 -1.58 2.35 3.38 -1.96 -2.67 115.31 115.36 1lqu h LEU 203 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1lqu h LEU 203 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1lqu h LEU 203 CO -0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.43 1lqu n GLN 204 N -3.08 2.08 -1.94 1.13 3.00 -0.49 -4.98 117.38 113.09 1lqu n GLN 204 Ca 0.01 -1.57 -0.38 0.00 -0.01 0.00 0.00 57.00 55.05 1lqu n GLN 204 Cb 0.33 -1.47 0.02 0.00 0.00 0.00 0.00 30.24 29.13 1lqu n GLN 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1lqu s ALA 205 N -1.93 2.86 -2.62 -1.58 0.00 -1.01 -4.91 121.76 112.56 1lqu s ALA 205 Ca 0.33 1.20 0.24 0.00 0.00 0.00 0.00 51.96 53.73 1lqu s ALA 205 Cb 0.20 -3.51 0.55 0.00 0.00 0.00 0.00 23.12 20.37 1lqu s ALA 205 CO 0.31 -1.14 1.46 0.00 0.00 0.00 0.00 175.76 176.39 1lqu n ALA 206 N -0.88 2.49 -1.45 0.00 0.00 0.27 -4.95 120.51 115.99 1lqu n ALA 206 Ca 0.09 -0.68 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 1lqu n ALA 206 Cb 0.46 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 19.04 1lqu n ALA 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lqu n PHE 207 N 0.92 1.47 -4.07 0.00 3.72 -0.95 -4.43 117.46 114.12 1lqu n PHE 207 Ca 0.17 0.41 -0.24 0.00 -0.05 0.00 0.00 57.45 57.74 1lqu n PHE 207 Cb 0.49 -2.18 -0.07 0.00 -0.94 0.00 0.00 39.48 36.79 1lqu n PHE 207 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1lqu s THR 208 N -1.71 2.63 0.01 4.37 -4.23 -1.26 -4.96 115.64 110.49 1lqu s THR 208 Ca 0.78 -1.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.40 1lqu s THR 208 Cb -0.34 -2.98 -0.20 0.00 1.34 0.00 0.00 72.50 70.32 1lqu s THR 208 CO 0.46 -0.08 1.16 0.74 -0.54 0.00 0.00 174.62 176.35 1lqu h THR 209 N 1.46 1.43 -0.87 3.99 2.02 -1.96 -2.59 112.91 116.39 1lqu h THR 209 Ca -0.43 -1.82 0.04 0.00 0.77 0.00 0.00 66.41 64.98 1lqu h THR 209 Cb 1.25 2.40 -0.05 0.00 -1.74 0.00 0.00 68.15 70.01 1lqu h THR 209 CO 0.66 0.52 0.57 0.25 0.37 0.00 0.00 175.52 177.89 1lqu h LEU 210 N -0.15 0.92 -1.01 2.58 5.85 -1.98 0.76 115.31 122.27 1lqu h LEU 210 Ca -0.03 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1lqu h LEU 210 Cb 1.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1lqu h LEU 210 CO 0.08 0.62 0.12 -0.33 -0.34 0.00 0.00 178.44 178.59 1lqu h GLU 211 N 1.06 0.83 -0.22 1.25 3.07 -1.95 -0.11 114.58 118.51 1lqu h GLU 211 Ca 0.35 -0.17 -0.18 0.00 -0.50 0.00 0.00 59.36 58.86 1lqu h GLU 211 Cb 0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1lqu h GLU 211 CO -0.11 0.76 -0.57 -0.07 -1.40 0.00 0.00 179.01 177.62 1lqu h LEU 212 N 0.80 0.88 -0.89 1.33 3.38 -0.91 -3.31 115.31 116.60 1lqu h LEU 212 Ca 0.18 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1lqu h LEU 212 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1lqu h LEU 212 CO -0.00 1.29 0.24 0.03 0.09 0.00 0.00 178.44 180.09 1lqu h ARG 213 N 0.50 1.06 0.00 1.13 3.08 -0.32 -2.82 114.38 117.01 1lqu h ARG 213 Ca -0.01 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1lqu h ARG 213 Cb 1.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1lqu h ARG 213 CO 0.12 0.89 0.00 0.93 -1.07 0.00 0.00 179.97 180.84 1lqu h GLU 214 N 1.02 0.00 0.00 0.04 5.08 -1.12 -2.37 114.58 117.23 1lqu h GLU 214 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1lqu h GLU 214 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1lqu h GLU 214 CO -0.01 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.87 1lqu h LEU 215 N 0.00 0.00 -1.46 1.33 3.38 -1.63 -1.62 115.31 115.32 1lqu h LEU 215 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lqu h LEU 215 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1lqu h LEU 215 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1lqu h ALA 216 N 1.94 1.00 -0.67 1.53 0.00 -1.62 -2.92 119.26 118.52 1lqu h ALA 216 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 216 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1lqu h ALA 216 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 1lqu n ASP 217 N -2.57 4.38 -4.53 0.00 8.00 -0.61 -4.85 116.55 116.36 1lqu n ASP 217 Ca -0.00 -2.26 -0.43 0.00 0.71 0.00 0.00 54.79 52.82 1lqu n ASP 217 Cb 0.17 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1lqu n ASP 217 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lqu s LEU 218 N -1.49 3.88 0.22 0.64 1.43 -1.10 -4.99 118.68 117.27 1lqu s LEU 218 Ca 0.49 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 52.98 1lqu s LEU 218 Cb 0.29 -2.86 -0.13 0.00 0.03 0.00 0.00 46.19 43.53 1lqu s LEU 218 CO 0.28 -1.36 1.62 0.47 0.23 0.00 0.00 176.35 177.58 1lqu n ASP 219 N 7.89 3.56 0.00 2.29 9.92 -1.26 -1.91 116.55 137.04 1lqu n ASP 219 Ca 0.03 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 1lqu n ASP 219 Cb 0.48 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 1lqu n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lqu n GLY 220 N 3.21 0.82 3.17 0.44 0.00 -1.26 -4.45 105.19 107.12 1lqu n GLY 220 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1lqu n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqu s VAL 221 N -3.17 1.84 -0.16 1.61 1.01 -0.80 -2.64 120.40 118.08 1lqu s VAL 221 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1lqu s VAL 221 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1lqu s VAL 221 CO 0.00 0.51 0.12 -1.81 0.00 0.00 0.00 175.10 173.92 1lqu s ASP 222 N 0.47 6.17 -0.11 3.32 1.01 0.10 -4.77 116.67 122.85 1lqu s ASP 222 Ca -0.17 0.30 -0.22 0.00 0.71 0.00 0.00 52.55 53.18 1lqu s ASP 222 Cb -0.17 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1lqu s ASP 222 CO 0.07 0.28 0.64 -0.69 0.21 0.00 0.00 175.17 175.68 1lqu s VAL 223 N -0.23 5.06 -0.17 -1.27 1.01 -1.26 -0.98 120.40 122.56 1lqu s VAL 223 Ca 0.10 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1lqu s VAL 223 Cb -0.12 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1lqu s VAL 223 CO 0.01 0.23 -0.20 -0.69 0.00 0.00 0.00 175.10 174.44 1lqu s VAL 224 N 1.08 2.12 -0.13 2.92 1.01 0.69 -4.89 120.40 123.19 1lqu s VAL 224 Ca 0.33 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1lqu s VAL 224 Cb -0.17 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1lqu s VAL 224 CO 0.14 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 175.14 1lqu s ILE 225 N 1.18 0.68 0.23 2.22 1.01 -1.26 -1.58 121.20 123.67 1lqu s ILE 225 Ca 0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 1lqu s ILE 225 Cb -0.14 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.31 1lqu s ILE 225 CO -0.10 0.12 1.60 -0.62 0.00 0.00 0.00 174.94 175.94 1lqu s ASP 226 N 1.82 6.46 0.57 3.58 -1.08 -1.26 -4.31 116.67 122.45 1lqu s ASP 226 Ca 0.02 2.81 0.29 0.00 -0.52 0.00 0.00 52.55 55.15 1lqu s ASP 226 Cb -0.14 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 40.18 1lqu s ASP 226 CO -0.07 -0.88 1.93 -0.65 0.52 0.00 0.00 175.17 176.02 1lqu h PRO 227 N 5.87 0.00 0.00 4.34 0.11 -1.98 -0.02 132.00 140.32 1lqu h PRO 227 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1lqu h PRO 227 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lqu h PRO 227 CO 0.87 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.61 1lqu h ALA 228 N 1.56 1.53 0.00 -0.75 0.00 -1.98 -1.21 119.26 118.41 1lqu h ALA 228 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1lqu h ALA 228 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1lqu h ALA 228 CO -0.00 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.23 1lqu h GLU 229 N 0.00 0.00 -0.02 0.00 4.39 -1.35 -2.28 114.58 115.31 1lqu h GLU 229 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lqu h GLU 229 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1lqu h GLU 229 CO 0.01 0.00 -0.02 1.28 -1.16 0.00 0.00 179.01 179.12 1lqu n LEU 230 N -2.71 2.59 -4.73 1.33 4.77 -0.46 -4.79 117.00 112.99 1lqu n LEU 230 Ca -0.01 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.56 1lqu n LEU 230 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1lqu n LEU 230 CO 0.18 0.45 1.16 -0.62 -1.33 0.00 0.00 177.39 177.23 1lqu s ASP 231 N -1.65 6.63 0.00 -1.43 2.15 -0.86 -1.42 116.67 120.08 1lqu s ASP 231 Ca 0.22 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.83 1lqu s ASP 231 Cb 0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1lqu s ASP 231 CO 0.26 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 1lqu n GLY 232 N 3.00 0.88 3.33 2.66 0.00 -1.26 -4.99 105.19 108.81 1lqu n GLY 232 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1lqu n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lqu s ILE 233 N -3.52 4.29 0.12 -0.61 -1.09 -0.51 -5.07 121.20 114.82 1lqu s ILE 233 Ca 0.00 -1.05 0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1lqu s ILE 233 Cb 0.00 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1lqu s ILE 233 CO 0.00 -0.28 0.05 0.42 -1.23 0.00 0.00 174.94 173.90 1lqu s THR 234 N 1.49 4.19 0.29 2.92 -4.23 -1.26 -5.00 115.64 114.04 1lqu s THR 234 Ca 0.01 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1lqu s THR 234 Cb -0.20 -3.06 0.13 0.00 1.34 0.00 0.00 72.50 70.71 1lqu s THR 234 CO 0.05 0.02 1.80 0.44 -0.54 0.00 0.00 174.62 176.39 1lqu h ASP 235 N 3.02 0.66 -0.15 3.99 3.32 -1.99 -0.96 116.42 124.31 1lqu h ASP 235 Ca -0.47 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1lqu h ASP 235 Cb 1.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1lqu h ASP 235 CO 0.62 0.72 0.09 -0.08 -1.72 0.00 0.00 179.24 178.87 1lqu h GLU 236 N 0.65 0.20 -0.34 3.56 4.81 -1.99 -1.03 114.58 120.44 1lqu h GLU 236 Ca 0.13 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1lqu h GLU 236 Cb 0.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1lqu h GLU 236 CO 0.02 0.17 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.87 1lqu h ASP 237 N 0.17 0.60 -0.32 1.04 3.32 -1.91 -2.03 116.42 117.28 1lqu h ASP 237 Ca 0.05 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1lqu h ASP 237 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1lqu h ASP 237 CO -0.01 0.77 0.15 0.00 -1.72 0.00 0.00 179.24 178.43 1lqu h ALA 238 N 1.29 0.41 -0.61 3.45 0.00 -0.85 -2.31 119.26 120.64 1lqu h ALA 238 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1lqu h ALA 238 Cb 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1lqu h ALA 238 CO 0.04 -0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.61 1lqu h ALA 239 N 1.00 1.46 -0.19 0.00 0.00 -1.01 -1.89 119.26 118.63 1lqu h ALA 239 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1lqu h ALA 239 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lqu h ALA 239 CO -0.01 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 1lqu h ALA 240 N 1.53 1.47 -0.11 0.00 0.00 -0.99 -2.79 119.26 118.37 1lqu h ALA 240 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1lqu h ALA 240 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1lqu h ALA 240 CO -0.04 0.38 -0.05 0.28 0.00 0.00 0.00 179.25 179.82 1lqu h VAL 241 N 0.28 1.32 0.00 0.00 2.07 -0.82 -3.49 116.25 115.61 1lqu h VAL 241 Ca 0.06 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1lqu h VAL 241 Cb 0.38 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1lqu h VAL 241 CO 0.02 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1lqu n GLY 242 N -0.01 0.23 0.31 2.17 0.00 -0.93 -4.95 105.19 102.01 1lqu n GLY 242 Ca -0.06 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1lqu n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lqu h LYS 243 N 0.00 1.07 -0.41 1.61 1.57 -1.86 -1.32 116.57 117.24 1lqu h LYS 243 Ca 0.00 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1lqu h LYS 243 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1lqu h LYS 243 CO 0.00 0.95 0.16 0.28 -0.57 0.00 0.00 179.45 180.27 1lqu h VAL 244 N 1.00 1.20 -0.34 0.50 2.07 -1.94 -1.83 116.25 116.90 1lqu h VAL 244 Ca 0.21 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1lqu h VAL 244 Cb 0.35 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1lqu h VAL 244 CO -0.00 0.22 0.20 0.00 0.02 0.00 0.00 177.57 178.00 1lqu h LYS 246 N 0.43 0.16 -0.46 0.00 3.64 -1.04 -0.56 116.57 118.75 1lqu h LYS 246 Ca 0.12 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1lqu h LYS 246 Cb 0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1lqu h LYS 246 CO -0.02 0.11 -0.19 1.96 -2.27 0.00 0.00 179.45 179.04 1lqu h GLN 247 N 0.16 0.90 -0.41 1.90 1.08 -0.82 -2.65 115.11 115.27 1lqu h GLN 247 Ca 0.26 -0.36 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1lqu h GLN 247 Cb 0.38 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1lqu h GLN 247 CO -0.39 1.01 0.23 -0.91 -0.95 0.00 0.00 178.83 177.81 1lqu h ASN 248 N 0.79 0.35 -0.29 1.46 2.35 -0.14 -2.02 115.58 118.07 1lqu h ASN 248 Ca 0.11 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1lqu h ASN 248 Cb 0.73 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1lqu h ASN 248 CO 0.06 0.25 -0.07 0.40 -1.65 0.00 0.00 177.43 176.43 1lqu h ILE 249 N 0.46 1.24 -0.73 2.81 1.08 -1.00 -0.25 117.51 121.13 1lqu h ILE 249 Ca 0.17 -1.04 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1lqu h ILE 249 Cb 0.04 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1lqu h ILE 249 CO -0.09 0.35 0.48 0.11 -0.69 0.00 0.00 178.15 178.31 1lqu h LYS 250 N 0.63 0.95 -0.42 2.37 1.57 -1.10 0.23 116.57 120.81 1lqu h LYS 250 Ca 0.12 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1lqu h LYS 250 Cb 0.49 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1lqu h LYS 250 CO 0.03 0.63 0.15 0.28 -0.57 0.00 0.00 179.45 179.97 1lqu h VAL 251 N 0.98 1.21 -0.69 0.50 2.07 -0.78 -2.06 116.25 117.48 1lqu h VAL 251 Ca 0.27 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1lqu h VAL 251 Cb -0.11 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1lqu h VAL 251 CO -0.06 0.24 0.19 -0.07 0.02 0.00 0.00 177.57 177.89 1lqu h LEU 252 N 0.53 1.03 -0.94 2.57 3.38 -0.67 -1.78 115.31 119.42 1lqu h LEU 252 Ca 0.14 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1lqu h LEU 252 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1lqu h LEU 252 CO -0.01 0.98 0.62 0.03 0.09 0.00 0.00 178.44 180.15 1lqu h ARG 253 N 1.03 1.19 -0.86 1.13 3.08 -0.83 -0.93 114.38 118.18 1lqu h ARG 253 Ca 0.22 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1lqu h ARG 253 Cb 0.34 -0.27 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1lqu h ARG 253 CO -0.00 0.79 0.56 0.78 -1.07 0.00 0.00 179.97 181.03 1lqu h GLY 254 N 1.22 1.23 1.19 0.04 0.00 -0.63 -1.83 103.07 104.29 1lqu h GLY 254 Ca 0.36 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1lqu h GLY 254 CO -0.10 0.41 -0.16 -0.97 0.00 0.00 0.00 176.54 175.72 1lqu h TYR 255 N 1.13 1.06 0.00 5.60 0.05 -0.70 -2.77 116.97 121.34 1lqu h TYR 255 Ca 0.33 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1lqu h TYR 255 Cb -0.08 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.40 1lqu h TYR 255 CO -0.01 1.02 -0.03 0.00 -1.05 0.00 0.00 178.16 178.08 1lqu h ALA 256 N 0.98 1.04 0.00 3.88 0.00 -0.66 -2.35 119.26 122.15 1lqu h ALA 256 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lqu h ALA 256 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1lqu h ALA 256 CO 0.05 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1lqu n ASP 257 N -3.19 0.00 -4.77 0.00 8.00 -0.74 -4.62 116.55 111.24 1lqu n ASP 257 Ca -0.01 0.18 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 1lqu n ASP 257 Cb 0.25 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1lqu n ASP 257 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lqu s ARG 258 N -2.75 4.12 0.00 -1.24 0.52 -0.89 -5.12 118.95 113.60 1lqu s ARG 258 Ca 0.18 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 1lqu s ARG 258 Cb 0.16 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1lqu s ARG 258 CO 0.39 0.40 0.00 0.39 0.02 0.00 0.00 175.30 176.49 1lqu n GLU 259 N 2.93 3.70 0.00 3.54 1.02 -1.26 -4.91 120.64 125.66 1lqu n GLU 259 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1lqu n GLU 259 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1lqu n GLU 259 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1lqu n ARG 261 N 0.00 0.00 -2.17 3.49 0.63 -1.26 -5.15 116.66 112.20 1lqu n ARG 261 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 1lqu n ARG 261 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1lqu n ARG 261 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1lqu s PRO 262 N 0.00 3.38 0.00 -0.14 0.02 -1.26 -4.29 135.00 132.71 1lqu s PRO 262 Ca 0.00 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.35 1lqu s PRO 262 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1lqu s PRO 262 CO 0.00 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1lqu n GLY 263 N -0.55 2.24 3.89 0.52 0.00 -1.26 -5.04 105.19 104.99 1lqu n GLY 263 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1lqu n GLY 263 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lqu s HIS 264 N -2.45 3.43 0.56 1.61 3.76 -1.26 -5.09 115.29 115.85 1lqu s HIS 264 Ca 0.00 0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.88 1lqu s HIS 264 Cb 0.00 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 1lqu s HIS 264 CO 0.00 0.56 1.18 1.03 -0.85 0.00 0.00 174.74 176.66 1lqu s ARG 265 N -2.70 3.21 -0.04 1.40 0.52 -1.08 -4.87 118.95 115.39 1lqu s ARG 265 Ca 0.34 1.76 0.03 0.00 -0.52 0.00 0.00 55.73 57.34 1lqu s ARG 265 Cb -0.12 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1lqu s ARG 265 CO 0.27 -1.00 -0.12 1.03 0.02 0.00 0.00 175.30 175.50 1lqu s ARG 266 N -3.22 1.31 -0.29 3.54 0.52 -0.31 -0.72 118.95 119.78 1lqu s ARG 266 Ca 0.74 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 55.50 1lqu s ARG 266 Cb -0.28 -1.17 0.04 0.00 0.52 0.00 0.00 34.95 34.05 1lqu s ARG 266 CO 0.32 0.15 -0.00 1.41 0.02 0.00 0.00 175.30 177.20 1lqu s MET 267 N 0.18 2.56 -0.14 3.54 1.75 -0.15 -1.06 119.30 125.99 1lqu s MET 267 Ca -0.04 -1.18 -0.04 0.00 -1.25 0.00 0.00 55.69 53.18 1lqu s MET 267 Cb -0.10 -3.17 -0.03 0.00 2.84 0.00 0.00 34.83 34.37 1lqu s MET 267 CO 0.01 -0.57 0.01 0.08 -0.65 0.00 0.00 175.02 173.90 1lqu s VAL 268 N 1.29 4.31 -0.22 10.11 1.01 0.28 -0.23 120.40 136.96 1lqu s VAL 268 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1lqu s VAL 268 Cb -0.19 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1lqu s VAL 268 CO -0.01 0.53 0.08 -0.36 0.00 0.00 0.00 175.10 175.33 1lqu s PHE 269 N -0.10 3.19 -0.09 5.22 0.40 -0.62 -0.06 117.98 125.92 1lqu s PHE 269 Ca 0.04 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.32 1lqu s PHE 269 Cb -0.13 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1lqu s PHE 269 CO 0.02 -0.06 -0.21 1.03 0.70 0.00 0.00 175.22 176.70 1lqu s ARG 270 N 0.96 2.67 0.43 0.44 1.81 0.02 -4.56 118.95 120.72 1lqu s ARG 270 Ca 0.04 -0.75 0.07 0.00 -1.72 0.00 0.00 55.73 53.38 1lqu s ARG 270 Cb -0.14 -2.05 -0.03 0.00 -0.45 0.00 0.00 34.95 32.28 1lqu s ARG 270 CO 0.03 0.14 0.24 -0.06 -0.68 0.00 0.00 175.30 174.97 1lqu s PHE 271 N 0.43 2.48 -1.48 -0.53 0.08 -1.26 -0.79 117.98 116.92 1lqu s PHE 271 Ca -0.18 -0.61 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 1lqu s PHE 271 Cb -0.17 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 1lqu s PHE 271 CO 0.08 0.04 0.82 1.28 -0.10 0.00 0.00 175.22 177.33 1lqu n LEU 272 N -1.37 -2.57 -3.81 -0.37 4.77 -0.12 -4.84 117.00 108.70 1lqu n LEU 272 Ca -0.01 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.00 1lqu n LEU 272 Cb 0.64 -2.49 -0.14 0.00 -2.33 0.00 0.00 43.42 39.09 1lqu n LEU 272 CO 0.44 0.43 -0.28 -0.89 -1.33 0.00 0.00 177.39 175.76 1lqu s THR 273 N -3.48 -0.02 0.05 -5.08 2.01 -0.18 -0.66 115.64 108.28 1lqu s THR 273 Ca 0.41 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.58 1lqu s THR 273 Cb -0.21 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1lqu s THR 273 CO 0.84 0.03 -0.24 -0.44 -0.69 0.00 0.00 174.62 174.13 1lqu s SER 274 N 0.51 2.88 0.04 3.53 0.01 0.17 -2.91 113.70 117.93 1lqu s SER 274 Ca -0.04 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1lqu s SER 274 Cb -0.06 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1lqu s SER 274 CO -0.02 0.21 1.16 -2.16 0.41 0.00 0.00 173.24 172.85 1lqu s PRO 275 N -1.25 4.45 -0.24 12.44 0.04 -1.26 -0.56 135.00 148.61 1lqu s PRO 275 Ca 0.10 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1lqu s PRO 275 Cb -0.09 -3.39 -0.15 0.00 0.04 0.00 0.00 34.50 30.91 1lqu s PRO 275 CO 0.02 -0.24 -0.23 -0.89 0.04 0.00 0.00 177.00 175.70 1lqu n ILE 276 N 3.99 1.36 -3.57 0.56 2.08 0.63 -4.91 119.36 119.49 1lqu n ILE 276 Ca 0.09 -0.48 -0.17 0.00 0.56 0.00 0.00 62.75 62.75 1lqu n ILE 276 Cb 0.47 -1.44 -0.07 0.00 -0.75 0.00 0.00 39.64 37.86 1lqu n ILE 276 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1lqu s GLU 277 N -2.47 0.96 -0.12 0.38 2.12 -1.19 -4.28 118.70 114.09 1lqu s GLU 277 Ca -0.33 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 1lqu s GLU 277 Cb 0.09 0.45 -0.02 0.00 0.26 0.00 0.00 34.13 34.91 1lqu s GLU 277 CO 0.52 -0.25 -0.08 0.42 -0.54 0.00 0.00 175.26 175.33 1lqu s ILE 278 N -0.76 3.57 0.17 -3.70 1.01 0.01 -0.66 121.20 120.84 1lqu s ILE 278 Ca -0.08 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1lqu s ILE 278 Cb -0.02 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1lqu s ILE 278 CO 0.07 0.53 -0.14 -0.54 0.00 0.00 0.00 174.94 174.86 1lqu s LYS 279 N 0.00 1.23 0.00 2.79 1.02 -0.05 -3.90 119.74 120.82 1lqu s LYS 279 Ca -0.01 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1lqu s LYS 279 Cb -0.14 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.13 1lqu s LYS 279 CO 0.03 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1lqu n GLY 280 N -0.08 2.92 3.42 -3.33 0.00 -1.25 -0.71 105.19 106.15 1lqu n GLY 280 Ca -0.10 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 1lqu n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lqu s LYS 281 N -2.10 3.09 0.00 1.61 2.20 -1.26 -4.42 119.74 118.86 1lqu s LYS 281 Ca 0.00 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1lqu s LYS 281 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1lqu s LYS 281 CO 0.00 -1.36 0.00 0.54 -0.36 0.00 0.00 175.35 174.17 1lqu n ARG 282 N 6.24 0.00 -3.66 4.03 1.74 -1.26 -4.88 116.66 118.88 1lqu n ARG 282 Ca -0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 1lqu n ARG 282 Cb 0.44 -3.39 -0.02 0.00 -1.02 0.00 0.00 32.46 28.48 1lqu n ARG 282 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1lqu s LYS 283 N -0.34 1.29 0.16 5.56 -2.85 -1.26 -4.31 119.74 117.98 1lqu s LYS 283 Ca 0.00 -0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 54.03 1lqu s LYS 283 Cb 0.00 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.16 1lqu s LYS 283 CO 0.00 -0.58 1.66 0.08 0.10 0.00 0.00 175.35 176.61 1lqu s VAL 284 N -3.51 2.51 0.00 1.79 1.01 -0.06 -3.95 120.40 118.19 1lqu s VAL 284 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1lqu s VAL 284 Cb -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1lqu s VAL 284 CO -0.02 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.47 1lqu n GLU 285 N 4.48 2.39 -3.46 2.72 1.02 0.11 -4.44 120.64 123.46 1lqu n GLU 285 Ca 0.15 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1lqu n GLU 285 Cb 0.38 -0.79 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 1lqu n GLU 285 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1lqu s ARG 286 N -1.44 1.30 -0.02 3.49 1.70 -0.84 -1.46 118.95 121.69 1lqu s ARG 286 Ca 0.00 -0.52 0.04 0.00 -0.47 0.00 0.00 55.73 54.78 1lqu s ARG 286 Cb 0.00 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1lqu s ARG 286 CO 0.00 -0.57 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.03 1lqu s ILE 287 N -3.76 0.99 -0.17 4.99 2.07 -0.03 -0.87 121.20 124.41 1lqu s ILE 287 Ca 0.02 -0.52 -0.17 0.00 -1.41 0.00 0.00 60.65 58.58 1lqu s ILE 287 Cb -0.01 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1lqu s ILE 287 CO -0.12 0.29 0.42 -0.69 -1.91 0.00 0.00 174.94 172.93 1lqu s VAL 288 N -0.16 5.20 0.06 4.00 1.01 0.16 -1.05 120.40 129.62 1lqu s VAL 288 Ca 0.02 0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1lqu s VAL 288 Cb -0.06 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1lqu s VAL 288 CO -0.00 0.28 -0.17 -0.76 0.00 0.00 0.00 175.10 174.45 1lqu s LEU 289 N 1.02 2.66 0.02 3.92 1.43 0.72 -0.27 118.68 128.18 1lqu s LEU 289 Ca 0.21 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1lqu s LEU 289 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1lqu s LEU 289 CO 0.08 0.24 -0.26 -0.83 0.23 0.00 0.00 176.35 175.81 1lqu s GLY 290 N -1.60 1.34 0.08 -3.19 0.00 0.27 -1.19 107.32 103.04 1lqu s GLY 290 Ca 0.16 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.47 1lqu s GLY 290 CO 0.07 -1.06 0.60 -1.60 0.00 0.00 0.00 173.10 171.11 1lqu s ARG 291 N -0.99 4.26 0.24 2.90 3.52 -1.20 -0.65 118.95 127.03 1lqu s ARG 291 Ca 0.11 0.80 0.09 0.00 -0.13 0.00 0.00 55.73 56.60 1lqu s ARG 291 Cb -0.10 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1lqu s ARG 291 CO 0.01 0.61 -0.01 -0.80 -0.81 0.00 0.00 175.30 174.31 1lqu s ASN 292 N -1.06 4.58 0.20 -2.12 0.01 0.17 -0.80 114.94 115.93 1lqu s ASN 292 Ca 0.30 -0.59 0.11 0.00 -0.71 0.00 0.00 52.86 51.97 1lqu s ASN 292 Cb -0.20 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 1lqu s ASN 292 CO 0.20 0.02 -0.23 -1.61 -1.51 0.00 0.00 177.10 173.97 1lqu s GLU 293 N -3.50 1.53 -0.03 -0.60 2.02 -0.05 -4.82 118.70 113.25 1lqu s GLU 293 Ca 0.30 -1.56 -0.19 0.00 0.02 0.00 0.00 54.97 53.55 1lqu s GLU 293 Cb -0.07 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 1lqu s GLU 293 CO 0.19 0.39 0.53 -0.51 0.02 0.00 0.00 175.26 175.89 1lqu s LEU 294 N -2.78 4.39 -0.00 1.80 1.43 -1.26 -0.58 118.68 121.69 1lqu s LEU 294 Ca 0.22 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1lqu s LEU 294 Cb -0.08 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 1lqu s LEU 294 CO 0.10 0.12 0.02 -0.69 0.23 0.00 0.00 176.35 176.13 1lqu s VAL 295 N -0.14 0.04 0.17 -1.59 1.01 -0.19 -4.94 120.40 114.76 1lqu s VAL 295 Ca 0.28 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1lqu s VAL 295 Cb -0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 1lqu s VAL 295 CO 0.15 -0.20 1.31 -0.55 0.00 0.00 0.00 175.10 175.80 1lqu s SER 296 N -0.60 6.91 0.00 3.32 0.15 -1.26 -0.71 113.70 121.51 1lqu s SER 296 Ca -0.07 2.34 0.21 0.00 0.70 0.00 0.00 55.95 59.13 1lqu s SER 296 Cb -0.04 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 1lqu s SER 296 CO -0.00 -0.54 1.14 -0.90 1.20 0.00 0.00 173.24 174.14 1lqu n ASP 297 N 3.04 2.64 0.00 5.45 5.68 -1.15 -4.91 116.55 127.29 1lqu n ASP 297 Ca 0.07 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1lqu n ASP 297 Cb 0.43 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1lqu n ASP 297 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lqu n GLY 298 N 1.20 0.69 0.07 6.12 0.00 -1.26 -4.92 105.19 107.08 1lqu n GLY 298 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1lqu n GLY 298 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqu n SER 299 N 0.00 0.65 0.00 1.61 3.41 -1.26 -4.91 113.62 113.12 1lqu n SER 299 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1lqu n SER 299 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1lqu n SER 299 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqu n GLY 300 N 1.45 1.08 3.39 5.00 0.00 -1.26 -5.09 105.19 109.76 1lqu n GLY 300 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1lqu n GLY 300 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lqu s ARG 301 N -0.79 1.84 0.05 1.61 1.70 -1.26 -5.09 118.95 117.01 1lqu s ARG 301 Ca 0.00 -2.10 0.04 0.00 -0.47 0.00 0.00 55.73 53.20 1lqu s ARG 301 Cb 0.00 -0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 1lqu s ARG 301 CO 0.00 -0.58 -0.01 0.14 -1.08 0.00 0.00 175.30 173.77 1lqu s VAL 302 N -3.34 4.00 0.19 4.99 -7.23 -1.26 -2.94 120.40 114.81 1lqu s VAL 302 Ca 0.32 -0.85 0.11 0.00 -1.81 0.00 0.00 61.98 59.75 1lqu s VAL 302 Cb 0.02 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1lqu s VAL 302 CO 0.21 0.23 -0.23 0.00 -0.31 0.00 0.00 175.10 175.00 1lqu s ALA 303 N -1.20 2.50 0.13 1.32 0.00 0.11 -4.91 121.76 119.71 1lqu s ALA 303 Ca 0.23 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 1lqu s ALA 303 Cb -0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 1lqu s ALA 303 CO 0.14 0.41 0.96 0.00 0.00 0.00 0.00 175.76 177.27 1lqu s ALA 304 N -1.74 3.26 -0.12 0.00 0.00 -1.26 -1.02 121.76 120.88 1lqu s ALA 304 Ca 0.21 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1lqu s ALA 304 Cb -0.08 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1lqu s ALA 304 CO 0.10 0.01 -0.16 0.21 0.00 0.00 0.00 175.76 175.91 1lqu s LYS 305 N -0.20 2.39 0.23 0.00 2.20 0.26 -4.94 119.74 119.66 1lqu s LYS 305 Ca 0.46 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 1lqu s LYS 305 Cb -0.24 -2.03 -0.12 0.00 -1.51 0.00 0.00 37.83 33.94 1lqu s LYS 305 CO 0.30 -0.08 1.69 0.34 -0.36 0.00 0.00 175.35 177.25 1lqu s ASP 306 N 1.02 6.37 0.30 1.43 2.15 -1.26 -0.88 116.67 125.81 1lqu s ASP 306 Ca -0.05 2.89 0.24 0.00 0.43 0.00 0.00 52.55 56.06 1lqu s ASP 306 Cb -0.15 -2.61 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 1lqu s ASP 306 CO -0.03 -0.96 1.54 0.71 -0.17 0.00 0.00 175.17 176.26 1lqu h THR 307 N 3.71 0.00 0.00 1.71 1.35 -1.31 -3.47 112.91 114.90 1lqu h THR 307 Ca -0.44 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1lqu h THR 307 Cb 1.21 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1lqu h THR 307 CO 0.92 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1lqu n GLY 308 N 1.20 2.18 3.77 5.82 0.00 -1.26 -5.05 105.19 111.84 1lqu n GLY 308 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1lqu n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqu s GLU 309 N -0.72 3.69 -0.02 1.61 2.02 -1.26 -4.99 118.70 119.04 1lqu s GLU 309 Ca 0.00 1.90 0.03 0.00 0.02 0.00 0.00 54.97 56.92 1lqu s GLU 309 Cb 0.00 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 1lqu s GLU 309 CO 0.00 -0.64 -0.09 1.03 0.02 0.00 0.00 175.26 175.58 1lqu s ARG 310 N -2.66 0.85 0.03 1.61 1.81 -1.26 -3.25 118.95 116.08 1lqu s ARG 310 Ca 0.64 -0.30 0.03 0.00 -1.72 0.00 0.00 55.73 54.37 1lqu s ARG 310 Cb -0.32 -0.81 -0.02 0.00 -0.45 0.00 0.00 34.95 33.36 1lqu s ARG 310 CO 0.39 0.14 -0.08 -2.00 -0.68 0.00 0.00 175.30 173.06 1lqu s GLU 311 N 0.05 0.59 -0.06 3.54 2.12 -0.33 -4.98 118.70 119.62 1lqu s GLU 311 Ca -0.01 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 54.80 1lqu s GLU 311 Cb -0.07 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.82 1lqu s GLU 311 CO 0.00 0.11 -0.15 -1.21 -0.54 0.00 0.00 175.26 173.47 1lqu s GLU 312 N -0.97 2.60 -0.07 4.30 2.02 -1.26 -0.20 118.70 125.12 1lqu s GLU 312 Ca -0.03 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1lqu s GLU 312 Cb -0.07 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1lqu s GLU 312 CO 0.00 0.56 -0.12 -1.17 0.02 0.00 0.00 175.26 174.55 1lqu s LEU 313 N -0.57 1.63 0.39 1.80 2.96 -0.21 -4.97 118.68 119.71 1lqu s LEU 313 Ca 0.08 -0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 53.43 1lqu s LEU 313 Cb -0.11 -0.82 -0.09 0.00 0.50 0.00 0.00 46.19 45.66 1lqu s LEU 313 CO 0.01 0.03 1.33 -2.84 -1.32 0.00 0.00 176.35 173.56 1lqu s PRO 314 N 0.69 4.03 -0.06 0.98 0.02 -1.26 -0.85 135.00 138.54 1lqu s PRO 314 Ca -0.14 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 1lqu s PRO 314 Cb -0.16 -2.83 0.08 0.00 0.02 0.00 0.00 34.50 31.62 1lqu s PRO 314 CO 0.03 -0.47 0.73 0.00 -0.33 0.00 0.00 177.00 176.96 1lqu s ALA 315 N -1.22 -1.79 -0.36 -1.55 0.00 -0.53 -4.85 121.76 111.46 1lqu s ALA 315 Ca 0.55 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.90 1lqu s ALA 315 Cb -0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1lqu s ALA 315 CO 0.52 -0.37 0.40 1.04 0.00 0.00 0.00 175.76 177.34 1lqu n GLN 316 N 0.85 2.68 -3.76 0.00 3.00 -0.48 -3.13 117.38 116.54 1lqu n GLN 316 Ca -0.18 -0.38 -0.13 0.00 -0.01 0.00 0.00 57.00 56.31 1lqu n GLN 316 Cb 0.57 -0.88 -0.13 0.00 0.00 0.00 0.00 30.24 29.80 1lqu n GLN 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1lqu s LEU 317 N -1.27 0.74 -0.13 1.08 2.96 -1.22 -4.73 118.68 116.10 1lqu s LEU 317 Ca 0.03 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1lqu s LEU 317 Cb 0.03 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.35 1lqu s LEU 317 CO 0.11 -0.13 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.19 1lqu s VAL 318 N 0.92 1.37 -0.24 1.68 1.01 0.10 -0.67 120.40 124.57 1lqu s VAL 318 Ca -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1lqu s VAL 318 Cb -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1lqu s VAL 318 CO -0.05 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.75 1lqu s VAL 319 N 1.47 3.36 -0.25 2.92 1.01 0.21 -1.10 120.40 128.02 1lqu s VAL 319 Ca 0.03 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1lqu s VAL 319 Cb -0.13 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1lqu s VAL 319 CO -0.08 0.31 0.75 0.00 0.00 0.00 0.00 175.10 176.08 1lqu s ARG 320 N 1.45 4.13 -0.68 2.72 1.70 0.05 -1.08 118.95 127.25 1lqu s ARG 320 Ca 0.04 0.76 0.04 0.00 -0.47 0.00 0.00 55.73 56.10 1lqu s ARG 320 Cb -0.15 -3.65 0.29 0.00 -0.57 0.00 0.00 34.95 30.87 1lqu s ARG 320 CO -0.03 -0.49 0.96 0.45 -1.08 0.00 0.00 175.30 175.11 1lqu n SER 321 N 5.91 4.51 -1.09 -2.89 2.88 0.11 -0.37 113.62 122.68 1lqu n SER 321 Ca 0.03 -3.55 0.05 0.00 -1.33 0.00 0.00 58.87 54.07 1lqu n SER 321 Cb 0.48 -0.71 0.26 0.00 -0.75 0.00 0.00 64.21 63.48 1lqu n SER 321 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1lqu n VAL 322 N 0.43 2.43 0.00 2.46 0.24 -1.25 -4.29 118.33 118.34 1lqu n VAL 322 Ca 0.31 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.61 1lqu n VAL 322 Cb 0.39 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 1lqu n VAL 322 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lqu n GLY 323 N -0.56 3.08 3.87 7.63 0.00 -1.26 -4.74 105.19 113.21 1lqu n GLY 323 Ca 0.26 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1lqu n GLY 323 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lqu s TYR 324 N -1.75 2.43 -0.19 1.61 1.51 -1.26 -1.28 117.35 118.41 1lqu s TYR 324 Ca 0.00 0.65 -0.16 0.00 -1.01 0.00 0.00 57.07 56.55 1lqu s TYR 324 Cb 0.00 -3.63 0.05 0.00 -0.11 0.00 0.00 41.96 38.27 1lqu s TYR 324 CO 0.00 -2.19 0.50 0.50 -1.11 0.00 0.00 175.55 173.25 1lqu s ARG 325 N -5.59 0.57 0.74 -0.62 3.52 0.50 -4.35 118.95 113.72 1lqu s ARG 325 Ca 0.66 0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 56.87 1lqu s ARG 325 Cb -0.10 0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1lqu s ARG 325 CO 0.51 -0.08 1.10 0.20 -0.81 0.00 0.00 175.30 176.21 1lqu s GLY 326 N 0.46 1.82 -0.05 8.12 0.00 -1.13 -0.86 107.32 115.68 1lqu s GLY 326 Ca -0.02 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.11 1lqu s GLY 326 CO -0.02 0.69 -0.24 0.14 0.00 0.00 0.00 173.10 173.68 1lqu s VAL 327 N -2.74 2.21 0.44 1.40 1.01 -1.26 -4.75 120.40 116.71 1lqu s VAL 327 Ca 0.63 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1lqu s VAL 327 Cb -0.18 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1lqu s VAL 327 CO 0.52 0.57 1.33 -2.84 0.00 0.00 0.00 175.10 174.68 1lqu s PRO 328 N -0.33 3.74 -0.19 2.72 0.02 -1.26 -4.99 135.00 134.71 1lqu s PRO 328 Ca 0.02 2.21 -0.07 0.00 0.02 0.00 0.00 61.00 63.17 1lqu s PRO 328 Cb -0.12 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 1lqu s PRO 328 CO 0.02 -0.70 0.05 0.99 -0.33 0.00 0.00 177.00 177.04 1lqu s THR 329 N -1.28 4.61 0.10 0.99 2.01 -1.26 -5.06 115.64 115.75 1lqu s THR 329 Ca 0.61 -0.09 -0.36 0.00 0.31 0.00 0.00 61.69 62.16 1lqu s THR 329 Cb -0.39 -3.09 -0.16 0.00 0.01 0.00 0.00 72.50 68.87 1lqu s THR 329 CO 0.50 0.44 1.43 -2.65 -0.69 0.00 0.00 174.62 173.64 1lqu n PRO 330 N 3.81 1.45 -0.26 4.92 -0.02 -1.26 -1.93 135.00 141.71 1lqu n PRO 330 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1lqu n PRO 330 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1lqu n PRO 330 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqu n GLY 331 N 2.84 1.02 3.37 -1.23 0.00 -1.26 -4.42 105.19 105.51 1lqu n GLY 331 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1lqu n GLY 331 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqu s LEU 332 N 0.00 2.39 0.93 0.99 1.43 -0.81 -4.87 118.68 118.74 1lqu s LEU 332 Ca 0.00 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1lqu s LEU 332 Cb 0.00 -1.04 0.15 0.00 0.03 0.00 0.00 46.19 45.33 1lqu s LEU 332 CO 0.00 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 1lqu s PRO 333 N -2.45 0.95 -0.20 1.29 0.04 -1.26 -4.66 135.00 128.70 1lqu s PRO 333 Ca 0.16 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 1lqu s PRO 333 Cb -0.08 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1lqu s PRO 333 CO 0.07 -2.42 0.77 0.12 0.04 0.00 0.00 177.00 175.58 1lqu s PHE 334 N -2.94 -0.68 -0.41 0.56 5.36 -1.26 -4.54 117.98 114.07 1lqu s PHE 334 Ca 0.64 1.51 -0.10 0.00 -0.96 0.00 0.00 56.93 58.02 1lqu s PHE 334 Cb -0.18 0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1lqu s PHE 334 CO 0.57 -0.42 0.25 0.34 -1.46 0.00 0.00 175.22 174.50 1lqu s ASP 335 N -0.18 5.67 0.23 6.13 2.15 0.08 -4.89 116.67 125.87 1lqu s ASP 335 Ca -0.03 -1.35 -0.07 0.00 0.43 0.00 0.00 52.55 51.54 1lqu s ASP 335 Cb -0.03 -2.00 0.32 0.00 -0.30 0.00 0.00 42.92 40.90 1lqu s ASP 335 CO 0.02 -0.50 1.82 -0.78 -0.17 0.00 0.00 175.17 175.57 1lqu h ASP 336 N 8.43 0.67 -0.33 -0.34 3.58 -1.97 0.11 116.42 126.56 1lqu h ASP 336 Ca -0.24 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1lqu h ASP 336 Cb 1.09 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1lqu h ASP 336 CO 0.73 0.41 0.12 -0.61 -2.88 0.00 0.00 179.24 177.02 1lqu h GLN 337 N 0.80 0.50 0.00 0.28 4.15 -1.96 -3.08 115.11 115.80 1lqu h GLN 337 Ca 0.35 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1lqu h GLN 337 Cb 0.24 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1lqu h GLN 337 CO -0.20 0.52 -0.82 0.66 -1.93 0.00 0.00 178.83 177.06 1lqu h SER 338 N 0.39 0.00 -2.98 -0.69 4.64 -1.97 -3.48 113.55 109.46 1lqu h SER 338 Ca 0.11 -0.11 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1lqu h SER 338 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1lqu h SER 338 CO -0.01 0.06 -0.42 0.61 -0.87 0.00 0.00 176.83 176.20 1lqu n GLY 339 N 1.25 -0.21 3.44 -0.77 0.00 0.36 -4.70 105.19 104.56 1lqu n GLY 339 Ca 0.02 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1lqu n GLY 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lqu s THR 340 N -2.92 1.81 -0.20 2.61 -4.23 -1.20 -2.85 115.64 108.66 1lqu s THR 340 Ca 0.15 -2.17 -0.18 0.00 -1.18 0.00 0.00 61.69 58.31 1lqu s THR 340 Cb -0.07 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1lqu s THR 340 CO 0.19 -0.34 0.50 -0.63 -0.54 0.00 0.00 174.62 173.80 1lqu s ILE 341 N -2.91 5.12 0.28 2.99 1.01 -0.71 -0.74 121.20 126.23 1lqu s ILE 341 Ca 0.29 0.91 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 1lqu s ILE 341 Cb 0.02 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1lqu s ILE 341 CO 0.12 0.18 1.38 -2.16 0.00 0.00 0.00 174.94 174.46 1lqu s PRO 342 N 1.62 4.31 0.12 2.79 0.04 -1.26 -4.77 135.00 137.85 1lqu s PRO 342 Ca 0.23 2.25 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1lqu s PRO 342 Cb -0.15 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.34 1lqu s PRO 342 CO 0.09 -0.32 0.54 0.54 0.04 0.00 0.00 177.00 177.90 1lqu s ASN 343 N 0.04 -0.47 -0.19 6.66 2.20 -1.26 -1.38 114.94 120.54 1lqu s ASN 343 Ca 0.55 -0.02 0.00 0.00 -0.94 0.00 0.00 52.86 52.46 1lqu s ASN 343 Cb -0.40 0.55 0.04 0.00 -2.00 0.00 0.00 41.25 39.43 1lqu s ASN 343 CO 0.47 -0.88 -0.09 0.54 -2.94 0.00 0.00 177.10 174.19 1lqu s VAL 344 N -3.42 1.50 -1.79 3.54 0.11 -0.24 -4.67 120.40 115.41 1lqu s VAL 344 Ca -0.00 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1lqu s VAL 344 Cb -0.00 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 1lqu s VAL 344 CO -0.10 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1lqu n GLY 345 N 4.74 0.44 1.39 6.54 0.00 -1.26 -1.32 105.19 115.73 1lqu n GLY 345 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1lqu n GLY 345 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqu n GLY 346 N -0.87 1.90 3.71 -0.02 0.00 -1.26 -4.35 105.19 104.30 1lqu n GLY 346 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1lqu n GLY 346 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lqu s ARG 347 N -0.58 4.50 0.11 1.61 3.52 -0.43 -0.48 118.95 127.19 1lqu s ARG 347 Ca 0.00 1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.57 1lqu s ARG 347 Cb 0.00 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1lqu s ARG 347 CO 0.00 -0.08 1.69 0.42 -0.81 0.00 0.00 175.30 176.52 1lqu s ILE 348 N 1.16 2.78 0.23 4.11 1.01 0.14 -1.08 121.20 129.56 1lqu s ILE 348 Ca 0.48 0.34 -0.32 0.00 0.00 0.00 0.00 60.65 61.15 1lqu s ILE 348 Cb -0.20 -3.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.92 1lqu s ILE 348 CO 0.24 0.00 1.44 0.59 0.00 0.00 0.00 174.94 177.21 1lqu n ASN 349 N 5.27 2.86 0.00 3.58 4.13 -0.48 -1.52 115.26 129.10 1lqu n ASN 349 Ca 0.16 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.55 1lqu n ASN 349 Cb 0.39 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 1lqu n ASN 349 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lqu n GLY 350 N 2.33 1.62 3.58 7.41 0.00 -1.26 -4.83 105.19 114.02 1lqu n GLY 350 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1lqu n GLY 350 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lqu s SER 351 N -3.25 4.56 0.08 1.61 0.15 -0.58 -5.01 113.70 111.26 1lqu s SER 351 Ca 0.00 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.80 1lqu s SER 351 Cb 0.00 -1.09 0.56 0.00 -1.71 0.00 0.00 66.02 63.78 1lqu s SER 351 CO 0.00 0.32 1.48 -0.81 1.20 0.00 0.00 173.24 175.43 1lqu n PRO 352 N 1.93 0.17 -0.30 5.44 -0.04 -1.26 -4.57 135.00 136.37 1lqu n PRO 352 Ca -0.17 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1lqu n PRO 352 Cb 0.53 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1lqu n PRO 352 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1lqu n ASN 353 N -1.87 0.00 -4.40 3.54 6.94 -1.26 -5.00 115.26 113.21 1lqu n ASN 353 Ca 0.05 -1.32 -0.32 0.00 -0.02 0.00 0.00 54.58 52.97 1lqu n ASN 353 Cb 0.40 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.61 1lqu n ASN 353 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1lqu s GLU 354 N 0.00 2.29 0.21 -3.83 2.02 -1.26 -1.30 118.70 116.84 1lqu s GLU 354 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.18 1lqu s GLU 354 Cb 0.00 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 1lqu s GLU 354 CO 0.00 0.59 0.07 0.71 0.02 0.00 0.00 175.26 176.65 1lqu s TYR 355 N -0.69 1.32 0.05 1.61 1.51 0.29 -0.68 117.35 120.75 1lqu s TYR 355 Ca 0.11 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1lqu s TYR 355 Cb -0.10 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1lqu s TYR 355 CO 0.00 -0.36 -0.10 0.14 -1.11 0.00 0.00 175.55 174.13 1lqu s VAL 356 N -3.81 0.71 0.09 0.71 -7.23 0.37 0.07 120.40 111.30 1lqu s VAL 356 Ca 0.32 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1lqu s VAL 356 Cb 0.07 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1lqu s VAL 356 CO 0.09 -0.31 0.04 0.68 -0.31 0.00 0.00 175.10 175.30 1lqu s VAL 357 N -1.29 0.16 0.00 1.32 -7.23 -0.76 -4.69 120.40 107.92 1lqu s VAL 357 Ca -0.07 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1lqu s VAL 357 Cb -0.10 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1lqu s VAL 357 CO 0.01 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 1lqu n GLY 358 N 0.01 -0.98 0.27 2.32 0.00 -1.26 -4.01 105.19 101.53 1lqu n GLY 358 Ca -0.11 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1lqu n GLY 358 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1lqu h TRP 359 N 0.00 0.00 0.00 1.61 4.06 -1.90 -0.67 115.95 119.05 1lqu h TRP 359 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1lqu h TRP 359 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1lqu h TRP 359 CO 0.00 0.08 -0.19 0.97 -3.56 0.00 0.00 178.44 175.73 1lqu h ILE 360 N 0.00 0.52 0.04 1.49 6.09 -1.70 -0.53 117.51 123.41 1lqu h ILE 360 Ca -0.00 -0.98 -0.18 0.00 -1.37 0.00 0.00 64.86 62.32 1lqu h ILE 360 Cb 0.17 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.12 1lqu h ILE 360 CO 0.01 0.19 -0.97 0.50 -3.07 0.00 0.00 178.15 174.81 1lqu h LYS 361 N 0.00 0.08 0.00 2.19 3.64 -1.31 -1.90 116.57 119.27 1lqu h LYS 361 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1lqu h LYS 361 Cb 0.66 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1lqu h LYS 361 CO 0.03 1.06 -1.00 0.54 -2.27 0.00 0.00 179.45 177.81 1lqu n ARG 362 N -4.32 0.95 0.00 1.90 1.74 -0.44 -4.77 116.66 111.72 1lqu n ARG 362 Ca -0.24 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1lqu n ARG 362 Cb 0.70 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1lqu n ARG 362 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lqu n GLY 363 N 1.43 0.51 2.46 -0.13 0.00 -0.21 -4.79 105.19 104.46 1lqu n GLY 363 Ca 0.02 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1lqu n GLY 363 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1lqu n PRO 364 N 0.69 4.12 -3.98 1.61 -0.04 -1.26 -4.42 135.00 131.73 1lqu n PRO 364 Ca 0.00 -2.96 -0.10 0.00 -0.04 0.00 0.00 63.50 60.40 1lqu n PRO 364 Cb 0.00 -2.75 -0.12 0.00 -0.04 0.00 0.00 33.50 30.60 1lqu n PRO 364 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1lqu s THR 365 N 0.39 0.15 0.00 0.52 -4.23 -1.26 -4.77 115.64 106.44 1lqu s THR 365 Ca 0.59 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1lqu s THR 365 Cb 0.17 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.75 1lqu s THR 365 CO -0.07 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1lqu n GLY 366 N 1.82 3.28 3.60 3.99 0.00 -1.26 -4.95 105.19 111.68 1lqu n GLY 366 Ca -0.22 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1lqu n GLY 366 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lqu s VAL 367 N -1.40 2.10 0.22 1.61 -7.23 -1.26 -4.87 120.40 109.58 1lqu s VAL 367 Ca 0.00 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.10 1lqu s VAL 367 Cb 0.00 -2.34 0.21 0.00 0.56 0.00 0.00 36.38 34.81 1lqu s VAL 367 CO 0.00 -0.04 1.66 0.40 -0.31 0.00 0.00 175.10 176.81 1lqu h ILE 368 N -2.17 0.48 0.00 -0.62 2.04 -2.00 -0.98 117.51 114.26 1lqu h ILE 368 Ca -0.57 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1lqu h ILE 368 Cb 1.33 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1lqu h ILE 368 CO 0.54 0.02 0.00 1.23 0.00 0.00 0.00 178.15 179.94 1lqu h GLY 369 N 0.14 0.00 2.00 5.37 0.00 -2.01 -2.03 103.07 106.53 1lqu h GLY 369 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1lqu h GLY 369 CO -0.54 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.09 1lqu h THR 370 N 0.00 0.00 0.00 4.70 1.35 -1.51 -2.38 112.91 115.07 1lqu h THR 370 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1lqu h THR 370 Cb 0.23 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1lqu h THR 370 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 1lqu n ASN 371 N -2.69 0.57 0.09 5.36 3.02 -0.76 -3.88 115.26 116.96 1lqu n ASN 371 Ca 0.00 0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1lqu n ASN 371 Cb 0.20 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.58 1lqu n ASN 371 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1lqu h LYS 372 N 0.00 -0.28 -0.45 3.52 3.64 -1.61 -1.31 116.57 120.08 1lqu h LYS 372 Ca 0.00 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1lqu h LYS 372 Cb 0.62 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1lqu h LYS 372 CO 0.00 0.09 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.03 1lqu h LYS 373 N -0.90 0.75 -0.05 1.90 3.64 -1.77 -1.00 116.57 119.14 1lqu h LYS 373 Ca -0.03 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1lqu h LYS 373 Cb 0.50 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1lqu h LYS 373 CO 0.05 0.77 -0.15 0.22 -2.27 0.00 0.00 179.45 178.07 1lqu h ASP 374 N 0.70 -0.45 -0.74 4.20 3.58 -1.67 -0.13 116.42 121.91 1lqu h ASP 374 Ca 0.13 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 1lqu h ASP 374 Cb 0.46 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 1lqu h ASP 374 CO 0.02 -0.20 0.22 0.00 -2.88 0.00 0.00 179.24 176.40 1lqu h ALA 375 N 0.76 0.96 -0.73 -0.78 0.00 -0.86 -2.16 119.26 116.46 1lqu h ALA 375 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1lqu h ALA 375 Cb 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1lqu h ALA 375 CO -0.18 0.65 0.43 0.37 0.00 0.00 0.00 179.25 180.52 1lqu h GLN 376 N 1.09 1.00 -0.27 0.00 5.75 -0.77 -0.32 115.11 121.60 1lqu h GLN 376 Ca 0.24 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1lqu h GLN 376 Cb 0.32 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1lqu h GLN 376 CO -0.01 0.72 0.13 -0.44 -2.65 0.00 0.00 178.83 176.58 1lqu h ASP 377 N 1.00 0.36 -0.41 -0.69 3.32 -0.78 0.13 116.42 119.35 1lqu h ASP 377 Ca 0.26 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1lqu h ASP 377 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1lqu h ASP 377 CO -0.05 0.39 0.27 0.74 -1.72 0.00 0.00 179.24 178.88 1lqu h THR 378 N 0.30 1.11 -0.69 0.35 2.02 -1.10 -2.49 112.91 112.41 1lqu h THR 378 Ca 0.09 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1lqu h THR 378 Cb 0.13 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1lqu h THR 378 CO -0.01 0.10 0.26 0.58 0.37 0.00 0.00 175.52 176.82 1lqu h VAL 379 N 0.56 1.24 -0.59 3.16 2.07 -0.77 -0.68 116.25 121.24 1lqu h VAL 379 Ca 0.15 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1lqu h VAL 379 Cb -0.06 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1lqu h VAL 379 CO -0.03 0.31 0.38 0.44 0.02 0.00 0.00 177.57 178.69 1lqu h ASP 380 N 1.01 0.63 -0.33 0.57 3.32 -0.78 0.20 116.42 121.03 1lqu h ASP 380 Ca 0.23 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1lqu h ASP 380 Cb 0.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1lqu h ASP 380 CO -0.02 0.45 0.19 0.74 -1.72 0.00 0.00 179.24 178.88 1lqu h THR 381 N 0.76 1.13 -0.34 0.35 2.02 -0.96 -1.48 112.91 114.38 1lqu h THR 381 Ca 0.23 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1lqu h THR 381 Cb -0.03 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1lqu h THR 381 CO -0.08 0.13 0.11 0.25 0.37 0.00 0.00 175.52 176.30 1lqu h LEU 382 N 0.42 0.10 -0.49 2.58 6.46 -0.73 -0.87 115.31 122.78 1lqu h LEU 382 Ca 0.12 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.81 1lqu h LEU 382 Cb 0.04 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1lqu h LEU 382 CO -0.02 0.09 -0.11 0.40 -0.62 0.00 0.00 178.44 178.18 1lqu h ILE 383 N 0.24 1.27 -0.52 4.05 2.04 -0.83 -0.73 117.51 123.03 1lqu h ILE 383 Ca 0.16 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1lqu h ILE 383 Cb 0.14 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1lqu h ILE 383 CO -0.17 0.43 0.28 0.50 0.00 0.00 0.00 178.15 179.19 1lqu h LYS 384 N 0.79 0.54 -0.51 2.37 3.64 -1.01 -1.40 116.57 120.99 1lqu h LYS 384 Ca 0.13 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1lqu h LYS 384 Cb 0.66 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1lqu h LYS 384 CO 0.05 0.36 0.02 -0.91 -2.27 0.00 0.00 179.45 176.70 1lqu h ASN 385 N 0.55 0.81 -0.57 4.20 -0.26 -0.74 -1.48 115.58 118.09 1lqu h ASN 385 Ca 0.22 -0.19 -0.07 0.00 -0.56 0.00 0.00 56.30 55.70 1lqu h ASN 385 Cb 0.10 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1lqu h ASN 385 CO -0.14 0.86 0.08 -0.07 -1.06 0.00 0.00 177.43 177.11 1lqu h LEU 386 N 0.79 0.92 -0.57 1.61 3.38 -0.81 -1.70 115.31 118.93 1lqu h LEU 386 Ca 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1lqu h LEU 386 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1lqu h LEU 386 CO 0.02 0.95 0.36 1.23 0.09 0.00 0.00 178.44 181.09 1lqu h GLY 387 N 0.85 0.82 1.01 0.83 0.00 -0.94 -0.09 103.07 105.55 1lqu h GLY 387 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1lqu h GLY 387 CO 0.01 0.32 0.49 3.43 0.00 0.00 0.00 176.54 180.79 1lqu h ASN 388 N 0.78 0.88 -0.67 0.19 -0.26 -1.07 -1.44 115.58 113.99 1lqu h ASN 388 Ca 0.21 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 1lqu h ASN 388 Cb -0.05 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1lqu h ASN 388 CO -0.04 0.65 0.35 0.00 -1.06 0.00 0.00 177.43 177.33 1lqu h ALA 389 N 1.27 0.86 -0.61 -0.83 0.00 -0.83 -1.87 119.26 117.24 1lqu h ALA 389 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1lqu h ALA 389 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1lqu h ALA 389 CO -0.06 0.39 0.11 -0.22 0.00 0.00 0.00 179.25 179.47 1lqu h LYS 390 N 0.92 1.01 0.00 0.00 3.64 -0.69 0.39 116.57 121.83 1lqu h LYS 390 Ca 0.23 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1lqu h LYS 390 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1lqu h LYS 390 CO -0.04 0.94 -0.37 1.49 -2.27 0.00 0.00 179.45 179.20 1lqu h GLU 391 N 0.92 0.00 -0.33 1.90 4.57 -1.13 -2.01 114.58 118.50 1lqu h GLU 391 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1lqu h GLU 391 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1lqu h GLU 391 CO 0.01 0.37 0.00 0.41 -1.18 0.00 0.00 179.01 178.62 1lqu n GLY 392 N -0.13 0.69 3.85 1.92 0.00 -0.71 -4.92 105.19 105.89 1lqu n GLY 392 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1lqu n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqu n ALA 393 N 0.57 -1.86 -0.02 4.61 0.00 -0.76 -4.89 120.51 118.17 1lqu n ALA 393 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1lqu n ALA 393 Cb 0.33 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.54 1lqu n ALA 393 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lqu n GLU 394 N -4.39 2.96 -2.20 0.00 1.02 0.13 -5.02 120.64 113.15 1lqu n GLU 394 Ca -0.23 -1.55 -0.33 0.00 -0.02 0.00 0.00 57.16 55.03 1lqu n GLU 394 Cb 0.65 -1.03 -0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1lqu n GLU 394 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lqu s LYS 396 N -3.77 2.30 -0.26 0.00 1.02 -1.26 -4.99 119.74 112.78 1lqu s LYS 396 Ca 0.65 1.54 -0.10 0.00 0.02 0.00 0.00 55.97 58.08 1lqu s LYS 396 Cb -0.17 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1lqu s LYS 396 CO 0.31 -1.66 0.16 0.45 -0.92 0.00 0.00 175.35 173.69 1lqu s SER 397 N -2.43 5.94 0.00 2.83 0.15 -1.26 -5.08 113.70 113.85 1lqu s SER 397 Ca 0.69 0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.41 1lqu s SER 397 Cb -0.24 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 1lqu s SER 397 CO 0.46 -0.01 -0.18 -0.36 1.20 0.00 0.00 173.24 174.36 1lqu s PHE 398 N 1.49 1.56 0.00 3.44 0.08 -1.26 -5.18 117.98 118.11 1lqu s PHE 398 Ca 0.07 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1lqu s PHE 398 Cb -0.15 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 1lqu s PHE 398 CO 0.08 0.00 0.00 -2.30 -0.10 0.00 0.00 175.22 172.90 1lqu n PRO 399 N 2.41 0.00 -0.16 0.24 -0.02 -1.26 -4.92 135.00 131.30 1lqu n PRO 399 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1lqu n PRO 399 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1lqu n PRO 399 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1lqu n ASP 401 N 0.00 0.00 -0.33 2.55 5.75 -1.26 -5.05 116.55 118.21 1lqu n ASP 401 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 1lqu n ASP 401 Cb 0.00 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.42 1lqu n ASP 401 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1lqu h HIS 402 N 0.00 1.00 -0.92 2.11 2.76 -2.00 -1.81 115.15 116.30 1lqu h HIS 402 Ca 0.00 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1lqu h HIS 402 Cb 0.00 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.59 1lqu h HIS 402 CO 0.00 0.28 0.59 0.00 -1.30 0.00 0.00 177.93 177.50 1lqu h ALA 403 N 1.61 1.24 -0.53 5.26 0.00 -1.98 0.16 119.26 125.01 1lqu h ALA 403 Ca 0.53 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 1lqu h ALA 403 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1lqu h ALA 403 CO -0.31 0.41 -0.07 -0.44 0.00 0.00 0.00 179.25 178.84 1lqu h ASP 404 N 1.11 0.97 -0.52 0.00 3.32 -1.78 -2.11 116.42 117.41 1lqu h ASP 404 Ca 0.38 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1lqu h ASP 404 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1lqu h ASP 404 CO -0.14 1.08 0.07 1.56 -1.72 0.00 0.00 179.24 180.09 1lqu h GLN 405 N 0.85 0.87 -0.35 3.56 4.20 -0.97 -0.70 115.11 122.57 1lqu h GLN 405 Ca 0.14 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1lqu h GLN 405 Cb 0.62 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1lqu h GLN 405 CO 0.04 0.86 -0.24 -0.24 -0.67 0.00 0.00 178.83 178.59 1lqu h VAL 406 N 0.75 1.27 -0.64 -0.54 3.04 -0.95 -1.60 116.25 117.59 1lqu h VAL 406 Ca 0.16 -1.33 -0.08 0.00 -1.01 0.00 0.00 66.70 64.44 1lqu h VAL 406 Cb 0.42 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 1lqu h VAL 406 CO 0.01 0.44 0.10 0.00 -1.01 0.00 0.00 177.57 177.11 1lqu h ALA 407 N 1.13 0.96 -0.63 3.17 0.00 -1.13 -0.60 119.26 122.17 1lqu h ALA 407 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1lqu h ALA 407 Cb 0.72 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1lqu h ALA 407 CO 0.06 0.65 0.20 -0.44 0.00 0.00 0.00 179.25 179.71 1lqu h ASP 408 N 0.99 0.88 -0.32 0.00 3.32 -0.82 -0.60 116.42 119.86 1lqu h ASP 408 Ca 0.20 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1lqu h ASP 408 Cb 0.43 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1lqu h ASP 408 CO 0.01 0.82 0.07 -0.25 -1.72 0.00 0.00 179.24 178.18 1lqu h TRP 409 N 0.92 0.55 -0.88 4.55 7.01 -0.86 -0.95 115.95 126.29 1lqu h TRP 409 Ca 0.21 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1lqu h TRP 409 Cb 0.26 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 1lqu h TRP 409 CO 0.02 0.58 0.58 -0.07 -2.79 0.00 0.00 178.44 176.75 1lqu h LEU 410 N 0.36 1.01 -1.08 0.65 3.38 -0.85 -1.51 115.31 117.27 1lqu h LEU 410 Ca 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1lqu h LEU 410 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1lqu h LEU 410 CO 0.00 0.74 -0.28 0.00 0.09 0.00 0.00 178.44 178.99 1lqu h ALA 411 N 1.32 1.23 -0.57 1.53 0.00 -0.95 0.95 119.26 122.77 1lqu h ALA 411 Ca 0.32 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lqu h ALA 411 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1lqu h ALA 411 CO -0.07 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.73 1lqu h ALA 412 N 1.44 0.76 0.00 0.00 0.00 -0.55 -2.37 119.26 118.54 1lqu h ALA 412 Ca 0.04 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1lqu h ALA 412 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1lqu h ALA 412 CO 0.05 0.56 -0.85 0.00 0.00 0.00 0.00 179.25 179.00 1lqu h ARG 413 N 0.86 0.00 -2.30 0.00 2.47 -0.99 -3.40 114.38 111.03 1lqu h ARG 413 Ca 0.17 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.36 1lqu h ARG 413 Cb 0.49 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 28.45 1lqu h ARG 413 CO 0.02 0.85 -0.85 -1.14 0.56 0.00 0.00 179.97 179.41 1lqu s GLN 414 N -3.02 0.73 0.54 0.04 2.00 0.30 -4.89 119.66 115.37 1lqu s GLN 414 Ca 0.00 -1.54 0.36 0.00 -2.00 0.00 0.00 55.36 52.19 1lqu s GLN 414 Cb 0.11 -1.17 1.89 0.00 0.80 0.00 0.00 33.01 34.64 1lqu s GLN 414 CO 0.80 -1.29 2.11 -1.35 -0.50 0.00 0.00 175.29 175.06 1lqu h PRO 415 N 6.37 0.00 -0.92 1.67 0.11 -1.65 -2.14 132.00 135.45 1lqu h PRO 415 Ca 0.14 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.75 1lqu h PRO 415 Cb 0.97 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.79 1lqu h PRO 415 CO 0.28 0.00 0.58 1.63 -0.21 0.00 0.00 178.00 180.28 1lqu n LYS 416 N -2.83 2.29 -1.60 1.05 5.02 -1.26 -4.99 118.16 115.83 1lqu n LYS 416 Ca -0.02 -3.10 -0.32 0.00 -2.02 0.00 0.00 58.31 52.85 1lqu n LYS 416 Cb 0.11 -2.16 0.06 0.00 -0.02 0.00 0.00 35.03 33.02 1lqu n LYS 416 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1lqu s LEU 417 N -3.38 3.26 -0.28 -0.35 0.05 -0.80 -4.80 118.68 112.37 1lqu s LEU 417 Ca 0.57 1.91 0.01 0.00 0.05 0.00 0.00 54.13 56.66 1lqu s LEU 417 Cb 0.48 -4.54 0.06 0.00 -2.05 0.00 0.00 46.19 40.14 1lqu s LEU 417 CO 0.08 -1.72 -0.05 -0.69 -0.55 0.00 0.00 176.35 173.41 1lqu s VAL 418 N -2.58 2.53 0.90 1.48 1.01 0.02 -4.92 120.40 118.83 1lqu s VAL 418 Ca 0.64 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1lqu s VAL 418 Cb -0.19 -2.50 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1lqu s VAL 418 CO 0.47 -0.11 1.21 0.42 0.00 0.00 0.00 175.10 177.09 1lqu s THR 419 N 1.15 1.97 0.19 3.92 -4.23 -1.26 -0.16 115.64 117.23 1lqu s THR 419 Ca -0.06 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1lqu s THR 419 Cb -0.20 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1lqu s THR 419 CO -0.04 0.00 1.76 -1.28 -0.54 0.00 0.00 174.62 174.52 1lqu h SER 420 N -1.42 0.26 -0.79 3.99 0.87 -1.97 -0.22 113.55 114.26 1lqu h SER 420 Ca -0.47 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1lqu h SER 420 Cb 1.30 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 1lqu h SER 420 CO 0.55 0.17 0.52 0.00 -0.53 0.00 0.00 176.83 177.54 1lqu h ALA 421 N 1.36 1.59 0.06 6.23 0.00 -1.93 -0.28 119.26 126.29 1lqu h ALA 421 Ca 0.27 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 421 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lqu h ALA 421 CO -0.25 0.31 -1.06 0.45 0.00 0.00 0.00 179.25 178.70 1lqu h HIS 422 N 0.90 0.42 -0.88 0.00 -0.00 -1.63 -2.82 115.15 111.15 1lqu h HIS 422 Ca 0.33 -0.27 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 1lqu h HIS 422 Cb 0.16 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.48 1lqu h HIS 422 CO -0.00 1.15 0.56 2.35 -0.00 0.00 0.00 177.93 181.98 1lqu h TRP 423 N 0.11 1.04 -0.09 2.45 2.91 -0.65 -2.08 115.95 119.64 1lqu h TRP 423 Ca -0.09 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1lqu h TRP 423 Cb 1.74 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 1lqu h TRP 423 CO 0.05 0.56 -0.02 1.96 -1.03 0.00 0.00 178.44 179.96 1lqu h GLN 424 N 1.05 0.12 -0.16 2.65 4.20 -0.82 0.87 115.11 123.03 1lqu h GLN 424 Ca 0.37 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 1lqu h GLN 424 Cb 0.09 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1lqu h GLN 424 CO -0.15 0.16 -0.10 0.28 -0.67 0.00 0.00 178.83 178.35 1lqu h VAL 425 N 0.13 1.32 -0.39 -0.54 2.07 -1.18 -1.37 116.25 116.30 1lqu h VAL 425 Ca 0.03 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.43 1lqu h VAL 425 Cb 0.13 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1lqu h VAL 425 CO 0.00 0.35 -0.03 0.40 0.02 0.00 0.00 177.57 178.32 1lqu h ILE 426 N 0.01 0.68 -0.32 4.57 2.04 -0.71 -0.42 117.51 123.36 1lqu h ILE 426 Ca 0.03 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1lqu h ILE 426 Cb 0.60 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1lqu h ILE 426 CO 0.03 0.01 0.19 -0.78 0.00 0.00 0.00 178.15 177.60 1lqu h ASP 427 N 0.07 0.31 -0.79 1.72 3.58 -0.79 -0.60 116.42 119.92 1lqu h ASP 427 Ca 0.19 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1lqu h ASP 427 Cb 0.28 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1lqu h ASP 427 CO -0.34 0.23 0.37 0.00 -2.88 0.00 0.00 179.24 176.62 1lqu h ALA 428 N 1.14 1.02 -0.18 -0.78 0.00 -0.92 -0.93 119.26 118.62 1lqu h ALA 428 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lqu h ALA 428 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1lqu h ALA 428 CO -0.06 0.60 0.12 0.35 0.00 0.00 0.00 179.25 180.26 1lqu h PHE 429 N 1.13 0.23 -0.38 0.00 3.57 -0.56 -1.21 116.94 119.73 1lqu h PHE 429 Ca 0.27 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1lqu h PHE 429 Cb 0.14 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1lqu h PHE 429 CO 0.01 0.16 0.01 0.93 -2.23 0.00 0.00 178.31 177.19 1lqu h GLU 430 N 0.24 0.66 -0.61 1.11 5.08 -0.82 -1.63 114.58 118.62 1lqu h GLU 430 Ca 0.07 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1lqu h GLU 430 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1lqu h GLU 430 CO -0.01 0.75 0.17 0.00 -1.00 0.00 0.00 179.01 178.92 1lqu h ARG 431 N 0.48 0.96 0.00 2.33 3.08 -1.11 -1.16 114.38 118.96 1lqu h ARG 431 Ca 0.11 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1lqu h ARG 431 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1lqu h ARG 431 CO 0.02 0.86 -0.30 0.00 -1.07 0.00 0.00 179.97 179.48 1lqu h ALA 432 N 1.05 1.37 -0.11 0.04 0.00 -1.07 -1.23 119.26 119.31 1lqu h ALA 432 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1lqu h ALA 432 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1lqu h ALA 432 CO -0.00 0.37 -0.47 0.00 0.00 0.00 0.00 179.25 179.15 1lqu h ALA 433 N 1.70 1.00 0.12 0.00 0.00 -0.92 -3.35 119.26 117.81 1lqu h ALA 433 Ca -0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 54.91 54.09 1lqu h ALA 433 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1lqu h ALA 433 CO 0.04 0.64 -1.94 0.41 0.00 0.00 0.00 179.25 178.40 1lqu n GLY 434 N -0.02 -0.58 0.32 0.00 0.00 -0.81 -4.54 105.19 99.57 1lqu n GLY 434 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.75 1lqu n GLY 434 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lqu h GLU 435 N 0.00 0.96 0.00 1.61 5.08 -0.75 -0.02 114.58 121.46 1lqu h GLU 435 Ca -0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1lqu h GLU 435 Cb 1.99 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1lqu h GLU 435 CO 0.07 0.63 0.00 -1.35 -1.00 0.00 0.00 179.01 177.37 1lqu h PRO 436 N 0.99 0.00 -0.45 2.33 0.11 -1.80 -1.60 132.00 131.58 1lqu h PRO 436 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1lqu h PRO 436 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1lqu h PRO 436 CO -0.17 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.34 1lqu n HIS 437 N -2.47 0.75 -1.02 0.65 8.25 -0.12 -4.96 115.22 116.31 1lqu n HIS 437 Ca -0.01 -0.56 -0.01 0.00 -0.26 0.00 0.00 57.72 56.88 1lqu n HIS 437 Cb 0.08 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 1lqu n HIS 437 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lqu n GLY 438 N 0.67 0.48 3.67 -1.41 0.00 -0.60 -4.81 105.19 103.19 1lqu n GLY 438 Ca 0.17 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1lqu n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lqu s ARG 439 N -0.95 2.54 0.35 1.61 0.52 -0.62 -4.71 118.95 117.69 1lqu s ARG 439 Ca 0.00 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.44 1lqu s ARG 439 Cb 0.00 -2.53 0.64 0.00 0.52 0.00 0.00 34.95 33.58 1lqu s ARG 439 CO 0.00 0.55 1.92 -1.35 0.02 0.00 0.00 175.30 176.44 1lqu h PRO 440 N 3.66 0.57 -2.29 3.54 0.11 -1.83 -2.47 132.00 133.29 1lqu h PRO 440 Ca -0.48 -0.09 0.12 0.00 0.11 0.00 0.00 66.00 65.66 1lqu h PRO 440 Cb 1.17 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.04 1lqu h PRO 440 CO 0.58 0.52 0.49 -0.98 -0.21 0.00 0.00 178.00 178.41 1lqu s ARG 441 N -5.15 0.90 -0.21 1.05 1.70 -1.26 -4.45 118.95 111.54 1lqu s ARG 441 Ca -0.08 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 1lqu s ARG 441 Cb 0.16 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1lqu s ARG 441 CO 0.76 -0.40 -0.15 0.08 -1.08 0.00 0.00 175.30 174.52 1lqu s VAL 442 N -3.16 2.37 0.33 4.99 1.01 -0.47 -4.29 120.40 121.18 1lqu s VAL 442 Ca 0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1lqu s VAL 442 Cb -0.01 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 1lqu s VAL 442 CO -0.07 0.40 0.92 -0.54 0.00 0.00 0.00 175.10 175.81 1lqu s LYS 443 N 1.30 4.50 -0.27 2.72 1.02 -1.26 -4.47 119.74 123.27 1lqu s LYS 443 Ca 0.03 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.98 1lqu s LYS 443 Cb -0.15 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1lqu s LYS 443 CO -0.09 0.25 1.14 -0.51 -0.92 0.00 0.00 175.35 175.22 1lqu s LEU 444 N -2.20 3.99 0.00 3.17 1.43 -1.26 -4.86 118.68 118.95 1lqu s LEU 444 Ca 0.51 1.24 0.25 0.00 -1.03 0.00 0.00 54.13 55.10 1lqu s LEU 444 Cb -0.17 -3.54 0.39 0.00 0.03 0.00 0.00 46.19 42.89 1lqu s LEU 444 CO 0.22 -0.86 1.37 0.00 0.23 0.00 0.00 176.35 177.31 1lqu n ALA 445 N 6.86 2.58 -2.45 4.21 0.00 -1.26 -4.75 120.51 125.71 1lqu n ALA 445 Ca 0.13 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 1lqu n ALA 445 Cb 0.46 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 1lqu n ALA 445 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lqu s SER 446 N -2.05 1.64 0.22 0.00 1.04 -1.26 -3.94 113.70 109.34 1lqu s SER 446 Ca 0.29 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.79 1lqu s SER 446 Cb 0.20 -0.01 0.21 0.00 0.10 0.00 0.00 66.02 66.52 1lqu s SER 446 CO 0.33 -0.25 1.86 0.25 0.98 0.00 0.00 173.24 176.42 1lqu h LEU 447 N 3.42 0.79 -0.52 2.42 5.85 -1.91 -0.85 115.31 124.51 1lqu h LEU 447 Ca -0.38 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1lqu h LEU 447 Cb 1.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1lqu h LEU 447 CO 0.54 0.55 0.33 0.00 -0.34 0.00 0.00 178.44 179.52 1lqu h ALA 448 N 1.32 0.67 -0.50 1.25 0.00 -1.99 0.30 119.26 120.31 1lqu h ALA 448 Ca 0.30 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1lqu h ALA 448 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1lqu h ALA 448 CO -0.11 0.06 -0.06 0.93 0.00 0.00 0.00 179.25 180.07 1lqu h GLU 449 N 0.66 0.92 -0.54 0.00 5.08 -1.88 -1.00 114.58 117.83 1lqu h GLU 449 Ca 0.20 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1lqu h GLU 449 Cb -0.02 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1lqu h GLU 449 CO -0.07 0.98 0.35 -0.07 -1.00 0.00 0.00 179.01 179.20 1lqu h LEU 450 N 0.78 0.62 -0.68 1.33 3.38 -0.73 -2.90 115.31 117.13 1lqu h LEU 450 Ca 0.13 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1lqu h LEU 450 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1lqu h LEU 450 CO 0.04 0.46 -0.63 -0.07 0.09 0.00 0.00 178.44 178.33 1lqu h LEU 451 N 0.73 0.00 -1.12 1.67 3.38 -0.84 0.15 115.31 119.27 1lqu h LEU 451 Ca 0.20 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1lqu h LEU 451 Cb -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1lqu h LEU 451 CO -0.04 0.63 0.60 -0.09 0.09 0.00 0.00 178.44 179.63 1lqu h ARG 452 N 0.00 1.08 0.15 1.13 2.43 -0.98 -0.74 114.38 117.45 1lqu h ARG 452 Ca -0.01 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 1lqu h ARG 452 Cb 1.16 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1lqu h ARG 452 CO 0.08 0.72 -1.75 0.82 -1.51 0.00 0.00 179.97 178.33 1lqu h ILE 453 N 1.11 0.86 -0.21 1.20 1.08 -1.37 -3.25 117.51 116.92 1lqu h ILE 453 Ca 0.38 -2.43 -0.16 0.00 -0.39 0.00 0.00 64.86 62.26 1lqu h ILE 453 Cb 0.08 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1lqu h ILE 453 CO -0.13 0.83 -0.51 1.23 -0.69 0.00 0.00 178.15 178.89 1lqu h GLY 454 N 0.62 0.65 0.96 5.37 0.00 -0.57 -3.17 103.07 106.94 1lqu h GLY 454 Ca -0.36 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.23 1lqu h GLY 454 CO 0.12 0.66 -1.05 1.04 0.00 0.00 0.00 176.54 177.30 1lqu n LEU 455 N -3.98 0.82 0.00 3.11 4.77 -0.30 -4.71 117.00 116.71 1lqu n LEU 455 Ca -0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1lqu n LEU 455 Cb 0.58 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1lqu n LEU 455 CO 0.47 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.97