#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 3.07 0.36 2.89 0.04 -1.26 -4.70 135.00 135.39 1lqu s PRO 3 Ca 0.00 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1lqu s PRO 3 Cb 0.00 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1lqu s PRO 3 CO 0.00 -1.00 1.08 0.71 0.04 0.00 0.00 177.00 177.83 1lqu s TYR 4 N -2.85 3.35 -0.27 0.56 2.02 -0.40 -4.88 117.35 114.88 1lqu s TYR 4 Ca 0.60 1.65 -0.07 0.00 -0.37 0.00 0.00 57.07 58.88 1lqu s TYR 4 Cb -0.15 -3.22 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1lqu s TYR 4 CO 0.49 -0.70 0.08 0.71 -1.57 0.00 0.00 175.55 174.56 1lqu s TYR 5 N -1.44 3.11 -0.12 2.71 2.02 -1.26 -0.63 117.35 121.74 1lqu s TYR 5 Ca 0.53 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1lqu s TYR 5 Cb -0.27 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 1lqu s TYR 5 CO 0.34 -0.46 -0.21 0.42 -1.57 0.00 0.00 175.55 174.07 1lqu s ILE 6 N 1.57 2.26 -0.15 2.71 -1.09 -0.14 -0.20 121.20 126.15 1lqu s ILE 6 Ca 0.05 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1lqu s ILE 6 Cb -0.16 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 1lqu s ILE 6 CO 0.03 0.55 0.13 0.00 -1.23 0.00 0.00 174.94 174.42 1lqu s ALA 7 N 0.50 3.79 -0.14 9.38 0.00 -0.75 -1.15 121.76 133.39 1lqu s ALA 7 Ca -0.14 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1lqu s ALA 7 Cb -0.17 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1lqu s ALA 7 CO 0.05 0.46 -0.20 0.42 0.00 0.00 0.00 175.76 176.49 1lqu s ILE 8 N -0.53 2.25 -0.38 0.00 1.01 0.31 -0.31 121.20 123.55 1lqu s ILE 8 Ca 0.12 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 1lqu s ILE 8 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1lqu s ILE 8 CO 0.02 0.54 0.26 -0.69 0.00 0.00 0.00 174.94 175.07 1lqu s VAL 9 N 0.80 5.13 0.00 2.92 1.01 0.51 -0.40 120.40 130.36 1lqu s VAL 9 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1lqu s VAL 9 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1lqu s VAL 9 CO -0.01 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1lqu n GLY 10 N 5.11 2.65 1.12 4.51 0.00 0.43 -0.21 105.19 118.80 1lqu n GLY 10 Ca -0.12 -1.91 0.02 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 0.61 -2.03 1.61 3.41 -1.26 -4.57 113.62 111.38 1lqu n SER 11 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 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 0.31 -0.19 0.20 5.00 0.00 -1.26 -0.74 105.19 108.51 1lqu n GLY 12 Ca 0.03 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 0.27 -0.67 1.61 0.11 -1.95 -1.43 132.00 129.94 1lqu h PRO 13 Ca 0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 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 0.18 0.16 0.66 -0.21 0.00 0.00 178.00 178.79 1lqu h SER 14 N 0.28 1.00 -0.41 -2.05 4.64 -1.90 0.12 113.55 115.22 1lqu h SER 14 Ca 0.26 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1lqu h SER 14 Cb 0.33 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1lqu h SER 14 CO -0.31 0.96 0.24 0.00 -0.87 0.00 0.00 176.83 176.85 1lqu h ALA 15 N 1.16 0.52 -0.09 5.18 0.00 -1.71 -0.62 119.26 123.70 1lqu h ALA 15 Ca 0.21 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1lqu h ALA 15 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1lqu h ALA 15 CO 0.00 -0.09 -0.60 0.74 0.00 0.00 0.00 179.25 179.31 1lqu h PHE 16 N 0.49 0.37 -0.56 0.00 0.04 -0.75 0.07 116.94 116.60 1lqu h PHE 16 Ca 0.16 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 1lqu h PHE 16 Cb 0.01 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1lqu h PHE 16 CO -0.07 0.82 -0.01 0.74 -0.60 0.00 0.00 178.31 179.18 1lqu h PHE 17 N 0.22 1.10 -0.38 -0.55 0.04 -0.64 -1.17 116.94 115.56 1lqu h PHE 17 Ca -0.00 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1lqu h PHE 17 Cb 1.11 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1lqu h PHE 17 CO 0.03 0.99 0.21 0.00 -0.60 0.00 0.00 178.31 178.93 1lqu h ALA 18 N 0.96 0.49 -0.36 2.45 0.00 -0.88 -1.12 119.26 120.80 1lqu h ALA 18 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lqu h ALA 18 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1lqu h ALA 18 CO 0.03 0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.48 1lqu h ALA 19 N 1.07 0.44 -0.90 0.00 0.00 -0.82 -0.66 119.26 118.39 1lqu h ALA 19 Ca 0.13 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1lqu h ALA 19 Cb 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1lqu h ALA 19 CO -0.02 -0.18 0.59 0.00 0.00 0.00 0.00 179.25 179.64 1lqu h ALA 20 N 1.18 1.14 -0.71 0.00 0.00 -1.00 -1.82 119.26 118.06 1lqu h ALA 20 Ca 0.15 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1lqu h ALA 20 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1lqu h ALA 20 CO -0.10 0.54 0.19 0.77 0.00 0.00 0.00 179.25 180.65 1lqu h SER 21 N 1.22 1.07 -0.30 0.00 0.02 -0.64 -0.15 113.55 114.77 1lqu h SER 21 Ca 0.33 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1lqu h SER 21 Cb -0.14 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.11 1lqu h SER 21 CO -0.07 1.01 0.16 -0.07 -1.14 0.00 0.00 176.83 176.73 1lqu h LEU 22 N 1.07 0.38 -0.71 5.07 3.38 -0.76 -1.47 115.31 122.27 1lqu h LEU 22 Ca 0.22 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1lqu h LEU 22 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1lqu h LEU 22 CO -0.00 0.36 -0.13 -0.07 0.09 0.00 0.00 178.44 178.69 1lqu h LEU 23 N 0.37 0.86 -0.75 1.67 3.38 -1.15 -2.39 115.31 117.30 1lqu h LEU 23 Ca 0.11 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1lqu h LEU 23 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1lqu h LEU 23 CO -0.02 1.00 0.22 0.50 0.09 0.00 0.00 178.44 180.23 1lqu h LYS 24 N 0.77 1.16 -0.38 1.13 3.64 -0.88 0.04 116.57 122.05 1lqu h LYS 24 Ca 0.12 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1lqu h LYS 24 Cb 0.64 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1lqu h LYS 24 CO 0.04 0.99 0.23 0.00 -2.27 0.00 0.00 179.45 178.45 1lqu h ALA 25 N 1.12 0.49 -0.71 5.00 0.00 -0.99 -1.63 119.26 122.54 1lqu h ALA 25 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1lqu h ALA 25 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1lqu h ALA 25 CO -0.01 -0.01 0.40 0.00 0.00 0.00 0.00 179.25 179.63 1lqu h ALA 26 N 1.10 0.91 0.00 0.00 0.00 -1.13 -2.11 119.26 118.03 1lqu h ALA 26 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 26 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1lqu h ALA 26 CO -0.03 0.42 -0.13 -0.44 0.00 0.00 0.00 179.25 179.07 1lqu h ASP 27 N 0.98 0.00 -0.29 0.00 3.32 -0.45 -2.98 116.42 116.99 1lqu h ASP 27 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1lqu h ASP 27 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1lqu h ASP 27 CO -0.04 0.13 0.00 0.35 -1.72 0.00 0.00 179.24 177.96 1lqu n THR 28 N -3.96 0.63 -4.10 0.35 -2.24 -0.66 -4.96 114.28 99.34 1lqu n THR 28 Ca -0.02 -0.82 -0.23 0.00 -2.27 0.00 0.00 64.05 60.71 1lqu n THR 28 Cb 0.22 0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.08 0.75 0.52 4.28 2.01 -0.82 -5.06 115.64 116.25 1lqu s THR 29 Ca 0.25 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1lqu s THR 29 Cb 0.14 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1lqu s THR 29 CO 0.20 0.30 1.23 -1.61 -0.69 0.00 0.00 174.62 174.04 1lqu s GLU 30 N 1.30 3.35 -1.46 4.92 0.41 -1.26 -3.29 118.70 122.67 1lqu s GLU 30 Ca -0.04 1.90 -0.09 0.00 -0.41 0.00 0.00 54.97 56.33 1lqu s GLU 30 Cb -0.14 -2.21 0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1lqu s GLU 30 CO -0.03 -0.92 0.87 -0.25 -0.49 0.00 0.00 175.26 174.45 1lqu n ASP 31 N -0.99 -5.61 -3.56 -0.19 10.43 -1.26 -4.97 116.55 110.40 1lqu n ASP 31 Ca 0.10 -0.50 -0.19 0.00 2.57 0.00 0.00 54.79 56.77 1lqu n ASP 31 Cb 0.48 -4.48 -0.14 0.00 1.84 0.00 0.00 41.12 38.81 1lqu n ASP 31 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1lqu s LEU 32 N -7.02 -0.02 0.19 0.64 2.96 -1.21 -5.13 118.68 109.09 1lqu s LEU 32 Ca 0.50 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.40 1lqu s LEU 32 Cb -0.23 0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 1lqu s LEU 32 CO 0.62 -0.31 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.30 1lqu s ASP 33 N 2.29 3.35 0.03 3.68 1.01 -1.26 -4.53 116.67 121.23 1lqu s ASP 33 Ca 0.05 -0.87 0.03 0.00 0.71 0.00 0.00 52.55 52.46 1lqu s ASP 33 Cb -0.15 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.52 1lqu s ASP 33 CO -0.10 0.10 -0.08 -0.04 0.21 0.00 0.00 175.17 175.26 1lqu s MET 34 N -2.73 0.59 -0.08 8.23 -1.94 -1.26 -1.28 119.30 120.84 1lqu s MET 34 Ca 0.21 -0.57 -0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1lqu s MET 34 Cb -0.08 -0.48 0.02 0.00 2.01 0.00 0.00 34.83 36.31 1lqu s MET 34 CO 0.10 0.11 -0.05 0.00 -0.01 0.00 0.00 175.02 175.17 1lqu s ALA 35 N -0.84 0.97 -0.17 3.03 0.00 0.19 -4.84 121.76 120.10 1lqu s ALA 35 Ca -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1lqu s ALA 35 Cb -0.07 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1lqu s ALA 35 CO 0.00 -0.28 -0.19 0.08 0.00 0.00 0.00 175.76 175.37 1lqu s VAL 36 N 1.50 2.23 -0.16 0.00 1.01 -0.14 -0.97 120.40 123.86 1lqu s VAL 36 Ca -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1lqu s VAL 36 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1lqu s VAL 36 CO -0.04 0.53 -0.09 -1.81 0.00 0.00 0.00 175.10 173.69 1lqu s ASP 37 N 1.10 4.23 -0.23 3.32 1.01 -0.30 -0.98 116.67 124.83 1lqu s ASP 37 Ca 0.00 -0.31 -0.04 0.00 0.71 0.00 0.00 52.55 52.91 1lqu s ASP 37 Cb -0.14 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1lqu s ASP 37 CO -0.07 0.12 -0.02 -0.32 0.21 0.00 0.00 175.17 175.08 1lqu s MET 38 N 0.64 3.39 -0.26 8.23 -2.45 0.23 -0.53 119.30 128.55 1lqu s MET 38 Ca -0.05 -0.62 -0.07 0.00 -1.25 0.00 0.00 55.69 53.70 1lqu s MET 38 Cb -0.15 -3.07 -0.01 0.00 1.25 0.00 0.00 34.83 32.85 1lqu s MET 38 CO 0.03 -0.21 0.06 -0.51 1.05 0.00 0.00 175.02 175.43 1lqu s LEU 39 N 1.50 3.49 -0.05 4.11 1.43 0.46 -0.19 118.68 129.43 1lqu s LEU 39 Ca 0.06 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1lqu s LEU 39 Cb -0.15 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1lqu s LEU 39 CO -0.02 -0.08 -0.20 -0.70 0.23 0.00 0.00 176.35 175.58 1lqu s GLU 40 N 1.56 2.09 0.19 1.70 2.56 -0.20 -0.43 118.70 126.17 1lqu s GLU 40 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 54.97 54.20 1lqu s GLU 40 Cb -0.16 -1.77 0.10 0.00 2.00 0.00 0.00 34.13 34.30 1lqu s GLU 40 CO 0.02 0.26 1.84 1.98 -0.56 0.00 0.00 175.26 178.81 1lqu h MET 41 N 6.29 0.82 -7.04 4.30 1.85 -1.81 0.50 114.93 119.84 1lqu h MET 41 Ca -0.31 -0.06 -0.48 0.00 -0.61 0.00 0.00 59.70 58.24 1lqu h MET 41 Cb 1.18 -0.18 0.05 0.00 0.43 0.00 0.00 31.60 33.08 1lqu h MET 41 CO 0.47 0.56 0.14 -0.51 -0.40 0.00 0.00 176.91 177.17 1lqu s LEU 42 N -10.11 3.37 0.59 3.39 1.43 -1.26 -3.53 118.68 112.56 1lqu s LEU 42 Ca -0.13 0.75 0.36 0.00 -1.03 0.00 0.00 54.13 54.08 1lqu s LEU 42 Cb 0.13 -3.62 1.81 0.00 0.03 0.00 0.00 46.19 44.54 1lqu s LEU 42 CO 0.76 -0.90 2.16 -0.65 0.23 0.00 0.00 176.35 177.96 1lqu h PRO 43 N -0.02 0.00 -6.18 1.29 0.11 -1.89 -1.28 132.00 124.03 1lqu h PRO 43 Ca -0.46 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.97 1lqu h PRO 43 Cb 1.24 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.16 1lqu h PRO 43 CO 0.61 0.03 -0.70 0.95 -0.21 0.00 0.00 178.00 178.68 1lqu s THR 44 N -4.02 3.65 0.88 -1.15 -4.23 -1.26 -4.72 115.64 104.79 1lqu s THR 44 Ca -0.02 -0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1lqu s THR 44 Cb 0.12 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.62 1lqu s THR 44 CO 0.50 0.57 1.22 -2.16 -0.54 0.00 0.00 174.62 174.21 1lqu s PRO 45 N -0.90 1.09 0.00 3.99 0.04 -1.26 -4.68 135.00 133.28 1lqu s PRO 45 Ca 0.13 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1lqu s PRO 45 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1lqu s PRO 45 CO 0.02 -2.05 0.00 0.91 0.04 0.00 0.00 177.00 175.92 1lqu n TRP 46 N -3.47 0.00 -2.38 0.56 8.01 0.08 -4.74 117.44 115.50 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 3.02 0.23 6.99 0.00 -1.24 -1.44 105.19 110.74 1lqu n GLY 47 Ca 0.00 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 45.94 1lqu n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lqu h LEU 48 N 0.00 0.00 -1.23 0.99 3.38 -1.94 -1.06 115.31 115.44 1lqu h LEU 48 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1lqu h LEU 48 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1lqu h LEU 48 CO 0.00 0.00 0.54 0.58 0.09 0.00 0.00 178.44 179.65 1lqu h VAL 49 N 0.00 1.12 0.01 1.22 2.07 -1.63 0.19 116.25 119.23 1lqu h VAL 49 Ca 0.00 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 1lqu h VAL 49 Cb 0.23 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1lqu h VAL 49 CO 0.00 0.18 -0.85 -0.09 0.02 0.00 0.00 177.57 176.83 1lqu h ARG 50 N 0.99 0.03 -0.00 1.57 2.43 -1.42 -3.39 114.38 114.58 1lqu h ARG 50 Ca 0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1lqu h ARG 50 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1lqu h ARG 50 CO -0.10 1.03 -0.73 -1.13 -1.51 0.00 0.00 179.97 177.53 1lqu n SER 51 N -4.43 1.08 -0.02 -3.80 3.41 -0.49 -4.61 113.62 104.75 1lqu n SER 51 Ca -0.24 -0.92 -0.04 0.00 -0.26 0.00 0.00 58.87 57.41 1lqu n SER 51 Cb 0.64 0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 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 1.47 -0.30 3.57 5.00 0.00 0.48 -4.47 105.19 110.94 1lqu n GLY 52 Ca 0.06 -0.16 -0.51 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.84 0.51 -1.81 1.61 0.31 -0.06 -4.84 118.33 110.20 1lqu n VAL 53 Ca -0.07 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.78 1lqu n VAL 53 Cb 0.25 -0.74 0.05 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.06 2.41 0.31 3.52 0.00 -1.26 -4.90 121.76 121.90 1lqu s ALA 54 Ca 0.79 0.90 0.32 0.00 0.00 0.00 0.00 51.96 53.97 1lqu s ALA 54 Cb -0.93 -3.44 1.53 0.00 0.00 0.00 0.00 23.12 20.29 1lqu s ALA 54 CO 0.51 -1.38 2.06 -1.00 0.00 0.00 0.00 175.76 175.95 1lqu h PRO 55 N 0.43 0.00 -0.57 0.00 0.13 -1.94 -0.16 132.00 129.89 1lqu h PRO 55 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.53 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1lqu n ASP 56 N -3.31 2.88 -2.61 1.44 5.75 -1.26 -4.20 116.55 115.24 1lqu n ASP 56 Ca -0.01 -2.23 -0.27 0.00 -0.01 0.00 0.00 54.79 52.27 1lqu n ASP 56 Cb 0.26 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.57 3.60 0.23 2.11 8.25 -0.07 -4.91 115.22 124.99 1lqu n HIS 57 Ca 0.15 -3.36 0.09 0.00 -0.26 0.00 0.00 57.72 54.34 1lqu n HIS 57 Cb 0.55 -0.21 0.55 0.00 1.12 0.00 0.00 29.99 32.00 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 2.70 0.00 -0.53 -0.41 0.13 -1.74 -3.31 132.00 128.84 1lqu h PRO 58 Ca 0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.37 1lqu h PRO 58 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1lqu h PRO 58 CO 0.85 0.22 0.26 -0.22 -0.23 0.00 0.00 178.00 178.87 1lqu h LYS 59 N 0.00 0.77 0.00 0.86 3.64 -1.95 -2.32 116.57 117.56 1lqu h LYS 59 Ca -0.00 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1lqu h LYS 59 Cb 0.50 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1lqu h LYS 59 CO 0.03 0.63 -0.13 0.97 -2.27 0.00 0.00 179.45 178.68 1lqu h ILE 60 N 0.71 0.40 0.00 2.00 6.09 -2.00 -1.84 117.51 122.87 1lqu h ILE 60 Ca 0.18 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1lqu h ILE 60 Cb 0.12 1.55 0.00 0.00 0.47 0.00 0.00 36.82 38.95 1lqu h ILE 60 CO -0.02 0.13 0.00 0.11 -3.07 0.00 0.00 178.15 175.30 1lqu h LYS 61 N 0.00 0.00 0.00 2.19 1.57 -1.58 -2.79 116.57 115.96 1lqu h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lqu h LYS 61 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1lqu h LYS 61 CO 0.02 0.00 0.09 0.77 -0.57 0.00 0.00 179.45 179.76 1lqu h SER 62 N 0.00 0.00 -0.03 0.86 0.02 -1.42 -1.21 113.55 111.77 1lqu h SER 62 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1lqu h SER 62 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1lqu h SER 62 CO 0.00 0.00 0.10 -0.29 -1.14 0.00 0.00 176.83 175.50 1lqu h ILE 63 N 0.00 0.16 -0.29 3.27 2.10 -1.74 -0.93 117.51 120.08 1lqu h ILE 63 Ca 0.00 0.00 0.09 0.00 1.08 0.00 0.00 64.86 66.03 1lqu h ILE 63 Cb 0.18 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 1lqu h ILE 63 CO 0.00 0.00 0.26 0.77 -1.08 0.00 0.00 178.15 178.10 1lqu h SER 64 N 0.00 0.00 -0.19 2.19 4.64 -1.49 -0.07 113.55 118.63 1lqu h SER 64 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1lqu h SER 64 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1lqu h SER 64 CO -0.00 0.00 -0.02 0.50 -0.87 0.00 0.00 176.83 176.44 1lqu h LYS 65 N 0.00 0.47 -0.43 4.77 1.63 -1.41 0.86 116.57 122.46 1lqu h LYS 65 Ca 0.14 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 1lqu h LYS 65 Cb 0.66 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1lqu h LYS 65 CO -0.00 0.51 -0.22 1.96 -3.45 0.00 0.00 179.45 178.25 1lqu h GLN 66 N 0.45 0.86 -0.42 1.90 4.20 -1.19 -1.97 115.11 118.94 1lqu h GLN 66 Ca 0.10 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 1lqu h GLN 66 Cb 0.33 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1lqu h GLN 66 CO 0.01 0.99 -0.14 0.74 -0.67 0.00 0.00 178.83 179.76 1lqu h PHE 67 N 0.75 0.85 -0.68 2.96 0.04 -1.12 -2.42 116.94 117.31 1lqu h PHE 67 Ca 0.10 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1lqu h PHE 67 Cb 0.76 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 1lqu h PHE 67 CO 0.04 0.86 0.23 0.93 -0.60 0.00 0.00 178.31 179.77 1lqu h GLU 68 N 0.69 1.04 -0.39 1.51 5.08 -0.69 -0.90 114.58 120.92 1lqu h GLU 68 Ca 0.11 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1lqu h GLU 68 Cb 0.63 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1lqu h GLU 68 CO 0.04 0.88 0.17 -0.22 -1.00 0.00 0.00 179.01 178.88 1lqu h LYS 69 N 1.01 0.58 -0.81 2.33 1.63 -1.05 -1.99 116.57 118.27 1lqu h LYS 69 Ca 0.23 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.98 1lqu h LYS 69 Cb 0.26 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1lqu h LYS 69 CO -0.01 0.54 0.50 1.15 -3.45 0.00 0.00 179.45 178.18 1lqu h THR 70 N 0.49 1.06 0.00 1.00 2.02 -1.12 -2.42 112.91 113.93 1lqu h THR 70 Ca 0.13 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1lqu h THR 70 Cb 0.16 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1lqu h THR 70 CO -0.01 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1lqu h ALA 71 N 1.38 1.00 0.00 6.16 0.00 -0.67 -1.82 119.26 125.30 1lqu h ALA 71 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1lqu h ALA 71 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lqu h ALA 71 CO -0.16 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.02 1lqu h GLU 72 N 0.00 0.00 -6.68 0.00 5.08 -0.85 -3.46 114.58 108.68 1lqu h GLU 72 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1lqu h GLU 72 Cb 0.34 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.65 1lqu h GLU 72 CO 0.00 0.00 0.94 0.34 -1.00 0.00 0.00 179.01 179.29 1lqu s ASP 73 N -5.12 6.44 0.28 1.42 -1.08 -0.69 -4.86 116.67 113.05 1lqu s ASP 73 Ca 0.03 2.81 0.21 0.00 -0.52 0.00 0.00 52.55 55.08 1lqu s ASP 73 Cb 0.09 -2.61 1.04 0.00 -1.46 0.00 0.00 42.92 39.98 1lqu s ASP 73 CO 0.49 -0.91 1.64 -0.81 0.52 0.00 0.00 175.17 176.10 1lqu n PRO 74 N 3.55 0.15 0.00 4.34 -0.04 -1.26 -1.43 135.00 140.30 1lqu n PRO 74 Ca 0.13 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.29 1lqu n PRO 74 Cb 0.37 -1.90 0.53 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.19 0.43 -4.24 0.54 1.74 -1.26 -4.85 116.66 106.82 1lqu n ARG 75 Ca -0.00 -0.16 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 1lqu n ARG 75 Cb 0.10 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.68 3.20 0.00 -1.55 2.19 -0.51 -0.97 117.98 117.66 1lqu s PHE 76 Ca 0.22 0.12 0.03 0.00 0.33 0.00 0.00 56.93 57.63 1lqu s PHE 76 Cb 0.19 -1.90 -0.01 0.00 -1.31 0.00 0.00 43.02 39.99 1lqu s PHE 76 CO 0.53 0.34 -0.09 1.03 1.83 0.00 0.00 175.22 178.85 1lqu s ARG 77 N -0.39 0.73 -0.13 10.12 0.52 -0.15 -4.83 118.95 124.81 1lqu s ARG 77 Ca 0.08 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1lqu s ARG 77 Cb -0.12 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 1lqu s ARG 77 CO 0.02 0.19 -0.02 0.12 0.02 0.00 0.00 175.30 175.63 1lqu s PHE 78 N -0.36 3.08 -0.37 -0.53 5.36 -1.26 -0.60 117.98 123.30 1lqu s PHE 78 Ca 0.02 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1lqu s PHE 78 Cb -0.04 -1.90 0.12 0.00 -0.34 0.00 0.00 43.02 40.86 1lqu s PHE 78 CO -0.00 0.16 0.17 -0.06 -1.46 0.00 0.00 175.22 174.03 1lqu s PHE 79 N -0.10 1.82 0.63 10.12 0.08 0.73 -3.67 117.98 127.60 1lqu s PHE 79 Ca 0.03 -2.08 -0.06 0.00 0.12 0.00 0.00 56.93 54.95 1lqu s PHE 79 Cb -0.13 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1lqu s PHE 79 CO 0.02 -0.83 0.93 0.20 -0.10 0.00 0.00 175.22 175.44 1lqu s GLY 80 N 0.98 1.65 -1.56 4.36 0.00 0.52 -1.04 107.32 112.24 1lqu s GLY 80 Ca 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 1lqu s GLY 80 CO -0.11 -0.51 0.40 -2.01 0.00 0.00 0.00 173.10 170.88 1lqu n ASN 81 N -2.70 -5.88 -4.04 1.64 5.15 0.01 -1.01 115.26 108.43 1lqu n ASN 81 Ca 0.06 -0.19 -0.32 0.00 -0.60 0.00 0.00 54.58 53.53 1lqu n ASN 81 Cb 0.59 -4.76 -0.15 0.00 -0.53 0.00 0.00 39.78 34.93 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 -3.11 2.00 -0.42 3.44 1.01 -0.26 -4.75 120.40 118.31 1lqu s VAL 82 Ca 0.20 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 1lqu s VAL 82 Cb -0.09 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1lqu s VAL 82 CO 0.25 0.01 0.31 -0.69 0.00 0.00 0.00 175.10 174.98 1lqu s VAL 83 N 1.19 5.20 0.13 2.92 1.01 -1.26 -2.62 120.40 126.97 1lqu s VAL 83 Ca -0.07 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1lqu s VAL 83 Cb -0.19 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1lqu s VAL 83 CO -0.06 -0.36 1.29 -0.69 0.00 0.00 0.00 175.10 175.28 1lqu s VAL 84 N 1.66 3.51 0.00 2.92 1.01 -1.26 -0.97 120.40 127.27 1lqu s VAL 84 Ca 0.05 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1lqu s VAL 84 Cb -0.20 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1lqu s VAL 84 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1lqu n GLY 85 N 2.94 1.42 1.10 4.51 0.00 0.81 -4.89 105.19 111.07 1lqu n GLY 85 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1lqu n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lqu n GLU 86 N -1.95 0.00 0.08 1.61 1.02 -0.40 -4.87 120.64 116.12 1lqu n GLU 86 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1lqu n GLU 86 Cb 0.00 -0.30 -0.09 0.00 -0.02 0.00 0.00 31.44 31.03 1lqu n GLU 86 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1lqu h HIS 87 N 0.00 0.72 -4.02 -0.32 3.86 -1.40 -3.46 115.15 110.53 1lqu h HIS 87 Ca 0.00 -0.43 -0.16 0.00 -1.16 0.00 0.00 60.37 58.61 1lqu h HIS 87 Cb 0.00 -0.06 -0.20 0.00 1.06 0.00 0.00 27.41 28.21 1lqu h HIS 87 CO 0.00 1.28 -0.70 0.14 0.86 0.00 0.00 177.93 179.51 1lqu s VAL 88 N -3.06 0.13 0.12 2.45 -7.23 -1.25 -4.86 120.40 106.71 1lqu s VAL 88 Ca -0.07 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1lqu s VAL 88 Cb 0.07 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1lqu s VAL 88 CO 0.89 -0.57 0.16 -1.10 -0.31 0.00 0.00 175.10 174.17 1lqu s GLN 89 N -1.81 3.07 0.28 4.82 -1.52 -1.26 -0.14 119.66 123.10 1lqu s GLN 89 Ca -0.13 -0.71 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1lqu s GLN 89 Cb -0.07 -2.78 0.64 0.00 -0.22 0.00 0.00 33.01 30.58 1lqu s GLN 89 CO -0.02 0.53 1.72 -1.35 -0.25 0.00 0.00 175.29 175.92 1lqu h PRO 90 N 2.71 0.47 -0.38 2.91 0.11 -1.92 -1.25 132.00 134.66 1lqu h PRO 90 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1lqu h PRO 90 Cb 1.18 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1lqu h PRO 90 CO 0.67 0.31 0.17 0.78 -0.21 0.00 0.00 178.00 179.72 1lqu h GLY 91 N 0.49 0.56 0.80 -0.55 0.00 -1.91 -0.74 103.07 101.71 1lqu h GLY 91 Ca 0.52 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1lqu h GLY 91 CO -0.46 0.24 -0.14 0.83 0.00 0.00 0.00 176.54 177.01 1lqu h GLU 92 N 0.52 0.43 -0.69 4.80 5.08 -1.65 -3.06 114.58 120.01 1lqu h GLU 92 Ca 0.13 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1lqu h GLU 92 Cb 0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1lqu h GLU 92 CO -0.02 0.76 0.33 -0.07 -1.00 0.00 0.00 179.01 179.01 1lqu h LEU 93 N 0.11 0.88 -1.58 1.33 3.38 -0.86 -2.23 115.31 116.33 1lqu h LEU 93 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1lqu h LEU 93 Cb 0.65 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1lqu h LEU 93 CO 0.04 0.74 0.00 0.77 0.09 0.00 0.00 178.44 180.08 1lqu h SER 94 N 0.97 0.00 0.59 -0.43 4.64 -1.14 -1.73 113.55 116.45 1lqu h SER 94 Ca 0.24 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 1lqu h SER 94 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1lqu h SER 94 CO -0.03 0.00 -1.56 -0.62 -0.87 0.00 0.00 176.83 173.75 1lqu n GLU 95 N -3.02 0.63 0.00 4.77 -0.58 -0.96 -4.36 120.64 117.12 1lqu n GLU 95 Ca 0.00 0.22 0.11 0.00 -0.42 0.00 0.00 57.16 57.07 1lqu n GLU 95 Cb 0.27 -1.78 0.08 0.00 -0.57 0.00 0.00 31.44 29.45 1lqu n GLU 95 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1lqu n ARG 96 N -2.90 0.55 -4.25 3.49 1.74 -0.88 -4.92 116.66 109.50 1lqu n ARG 96 Ca -0.13 -0.42 -0.18 0.00 -0.77 0.00 0.00 57.85 56.36 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 -2.73 1.43 0.26 -1.55 1.51 -0.69 -5.01 117.35 110.56 1lqu s TYR 97 Ca 0.15 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1lqu s TYR 97 Cb 0.18 -0.74 0.34 0.00 -0.11 0.00 0.00 41.96 41.62 1lqu s TYR 97 CO 0.67 0.16 1.73 -0.44 -1.11 0.00 0.00 175.55 176.56 1lqu h ASP 98 N 3.50 0.68 -5.07 2.29 5.19 -0.90 -3.44 116.42 118.66 1lqu h ASP 98 Ca -0.40 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 55.75 1lqu h ASP 98 Cb 1.20 -0.18 -0.14 0.00 0.18 0.00 0.00 39.33 40.38 1lqu h ASP 98 CO 0.51 0.82 -0.11 0.00 -3.12 0.00 0.00 179.24 177.34 1lqu s ALA 99 N -4.77 -0.89 -0.05 3.45 0.00 -1.18 -4.85 121.76 113.48 1lqu s ALA 99 Ca -0.09 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1lqu s ALA 99 Cb 0.14 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1lqu s ALA 99 CO 0.81 -0.58 -0.08 0.08 0.00 0.00 0.00 175.76 175.99 1lqu s VAL 100 N -3.44 0.80 -0.21 0.00 1.01 -0.34 -1.80 120.40 116.41 1lqu s VAL 100 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1lqu s VAL 100 Cb 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1lqu s VAL 100 CO -0.09 0.27 -0.04 -0.63 0.00 0.00 0.00 175.10 174.61 1lqu s ILE 101 N 0.65 3.39 -0.30 2.22 1.01 0.57 -0.70 121.20 128.05 1lqu s ILE 101 Ca -0.11 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1lqu s ILE 101 Cb -0.14 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1lqu s ILE 101 CO 0.02 0.43 0.61 -0.31 0.00 0.00 0.00 174.94 175.68 1lqu s TYR 102 N 1.39 3.22 -0.38 3.97 1.51 0.90 -0.37 117.35 127.59 1lqu s TYR 102 Ca 0.05 0.58 0.11 0.00 -1.01 0.00 0.00 57.07 56.79 1lqu s TYR 102 Cb -0.14 -2.95 0.44 0.00 -0.11 0.00 0.00 41.96 39.20 1lqu s TYR 102 CO -0.03 -0.45 1.04 0.00 -1.11 0.00 0.00 175.55 175.01 1lqu n ALA 103 N 5.83 4.29 1.42 3.71 0.00 0.71 -1.63 120.51 134.84 1lqu n ALA 103 Ca -0.02 -3.76 0.14 0.00 0.00 0.00 0.00 53.44 49.81 1lqu n ALA 103 Cb 0.49 -0.71 0.52 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.31 0.00 -4.76 0.00 0.24 -1.23 -4.44 118.33 107.83 1lqu n VAL 104 Ca 0.25 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1lqu n VAL 104 Cb 0.74 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.25 0.43 3.00 7.63 0.00 -1.26 -4.56 105.19 111.67 1lqu n GLY 105 Ca 0.16 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.76 2.65 -1.20 4.61 0.00 -1.26 -3.98 121.76 120.82 1lqu s ALA 106 Ca 0.00 -2.25 0.26 0.00 0.00 0.00 0.00 51.96 49.97 1lqu s ALA 106 Cb 0.00 -1.84 0.62 0.00 0.00 0.00 0.00 23.12 21.90 1lqu s ALA 106 CO 0.00 -1.57 1.49 1.04 0.00 0.00 0.00 175.76 176.72 1lqu n GLN 107 N 4.37 0.22 -0.85 0.00 1.13 -1.10 -4.48 117.38 116.66 1lqu n GLN 107 Ca -0.01 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1lqu n GLN 107 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -1.28 1.50 -4.30 1.08 2.88 -0.03 -4.98 113.62 108.50 1lqu n SER 108 Ca 0.07 -0.42 -0.22 0.00 -1.33 0.00 0.00 58.87 56.97 1lqu n SER 108 Cb 0.34 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.15 2.48 0.25 -3.46 1.47 -1.26 -0.38 116.67 115.92 1lqu s ASP 109 Ca 0.00 -0.79 -0.30 0.00 1.18 0.00 0.00 52.55 52.65 1lqu s ASP 109 Cb 0.00 -0.13 -0.09 0.00 -0.34 0.00 0.00 42.92 42.36 1lqu s ASP 109 CO 0.00 -0.03 0.94 -0.13 0.68 0.00 0.00 175.17 176.63 1lqu s ARG 110 N -2.46 4.83 0.25 2.11 0.52 -0.31 -4.64 118.95 119.25 1lqu s ARG 110 Ca 0.11 1.47 0.02 0.00 -0.52 0.00 0.00 55.73 56.81 1lqu s ARG 110 Cb -0.07 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1lqu s ARG 110 CO 0.05 0.49 0.41 -1.64 0.02 0.00 0.00 175.30 174.64 1lqu s MET 111 N -1.28 3.48 0.17 3.54 -1.94 -1.26 -4.71 119.30 117.30 1lqu s MET 111 Ca 0.42 -0.51 0.09 0.00 -1.71 0.00 0.00 55.69 53.99 1lqu s MET 111 Cb -0.25 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 33.67 1lqu s MET 111 CO 0.31 0.35 1.35 -0.07 -0.01 0.00 0.00 175.02 176.95 1lqu h LEU 112 N 1.37 0.00 -2.07 -0.03 3.38 -1.98 -3.49 115.31 112.49 1lqu h LEU 112 Ca -0.50 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.15 1lqu h LEU 112 Cb 1.21 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.12 1lqu h LEU 112 CO 0.64 0.84 -0.82 0.59 0.09 0.00 0.00 178.44 179.78 1lqu n ASN 113 N -3.34 -3.90 -4.26 -0.43 3.02 -1.26 -5.04 115.26 100.05 1lqu n ASN 113 Ca 0.00 -0.71 -0.18 0.00 -0.03 0.00 0.00 54.58 53.67 1lqu n ASN 113 Cb 0.86 -4.92 -0.11 0.00 -0.61 0.00 0.00 39.78 35.01 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 1.41 0.40 2.41 -4.36 -1.26 -5.12 121.20 111.26 1lqu s ILE 114 Ca 0.21 -1.83 -0.27 0.00 -0.26 0.00 0.00 60.65 58.50 1lqu s ILE 114 Cb -0.03 -1.66 -0.10 0.00 1.25 0.00 0.00 42.46 41.92 1lqu s ILE 114 CO 0.75 -0.46 1.43 -2.84 0.24 0.00 0.00 174.94 174.06 1lqu s PRO 115 N -2.90 3.99 0.00 0.37 0.02 -1.26 -2.67 135.00 132.55 1lqu s PRO 115 Ca 0.12 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1lqu s PRO 115 Cb -0.04 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1lqu s PRO 115 CO 0.04 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1lqu n GLY 116 N 0.56 1.19 0.31 0.52 0.00 -1.25 -0.59 105.19 105.93 1lqu n GLY 116 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 3.42 0.00 -0.15 1.61 4.81 -1.78 -1.49 114.58 120.99 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 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1lqu n ASP 118 N -3.99 1.79 -4.77 1.04 8.00 -1.26 -4.66 116.55 112.69 1lqu n ASP 118 Ca -0.00 -1.70 -0.40 0.00 0.71 0.00 0.00 54.79 53.40 1lqu n ASP 118 Cb 0.21 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1lqu n ASP 118 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lqu s LEU 119 N -1.64 4.23 0.13 0.64 1.43 -0.56 -4.92 118.68 117.99 1lqu s LEU 119 Ca 0.34 2.72 -0.35 0.00 -1.03 0.00 0.00 54.13 55.80 1lqu s LEU 119 Cb 0.18 -3.86 -0.16 0.00 0.03 0.00 0.00 46.19 42.39 1lqu s LEU 119 CO 0.28 -0.85 1.34 -2.65 0.23 0.00 0.00 176.35 174.70 1lqu n PRO 120 N 0.19 1.37 0.00 1.29 -0.02 -1.26 -0.99 135.00 135.58 1lqu n PRO 120 Ca 0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1lqu n PRO 120 Cb 0.43 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.53 0.36 3.26 -1.23 0.00 -1.26 -0.96 105.19 107.89 1lqu n GLY 121 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.95 4.96 0.26 1.61 0.15 -0.16 -0.63 113.70 117.94 1lqu s SER 122 Ca 0.00 -0.96 0.01 0.00 0.70 0.00 0.00 55.95 55.70 1lqu s SER 122 Cb 0.00 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1lqu s SER 122 CO 0.00 -0.23 0.13 0.27 1.20 0.00 0.00 173.24 174.61 1lqu s ILE 123 N 1.39 0.34 0.15 6.45 -4.36 0.06 -4.73 121.20 120.50 1lqu s ILE 123 Ca -0.01 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1lqu s ILE 123 Cb -0.18 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1lqu s ILE 123 CO 0.00 0.00 0.34 0.00 0.24 0.00 0.00 174.94 175.52 1lqu s ALA 124 N -3.81 3.87 0.35 2.27 0.00 -1.26 -0.87 121.76 122.31 1lqu s ALA 124 Ca 0.38 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1lqu s ALA 124 Cb 0.07 -1.97 0.70 0.00 0.00 0.00 0.00 23.12 21.92 1lqu s ALA 124 CO 0.15 0.58 1.94 0.00 0.00 0.00 0.00 175.76 178.42 1lqu h ALA 125 N 2.40 1.68 -0.57 0.00 0.00 -1.10 -1.49 119.26 120.18 1lqu h ALA 125 Ca -0.47 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.54 1lqu h ALA 125 Cb 1.18 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1lqu h ALA 125 CO 0.71 0.19 -0.05 0.28 0.00 0.00 0.00 179.25 180.38 1lqu h VAL 126 N 0.81 0.50 -0.35 0.00 2.07 -1.92 0.20 116.25 117.55 1lqu h VAL 126 Ca 0.35 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.70 1lqu h VAL 126 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1lqu h VAL 126 CO -0.12 0.01 -0.32 0.44 0.02 0.00 0.00 177.57 177.60 1lqu h ASP 127 N 0.08 0.89 -0.17 0.57 5.19 -1.73 -1.10 116.42 120.14 1lqu h ASP 127 Ca 0.29 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1lqu h ASP 127 Cb 0.46 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1lqu h ASP 127 CO -0.52 1.17 -0.00 0.15 -3.12 0.00 0.00 179.24 176.91 1lqu h PHE 128 N 0.63 0.33 -0.38 4.55 3.57 -0.54 -1.09 116.94 124.00 1lqu h PHE 128 Ca 0.06 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1lqu h PHE 128 Cb 0.90 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1lqu h PHE 128 CO 0.07 0.52 0.13 0.28 -2.23 0.00 0.00 178.31 177.08 1lqu h VAL 129 N 0.05 1.21 -0.82 1.41 2.07 -0.69 -0.13 116.25 119.34 1lqu h VAL 129 Ca 0.05 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1lqu h VAL 129 Cb 0.39 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1lqu h VAL 129 CO 0.01 0.23 0.52 1.23 0.02 0.00 0.00 177.57 179.58 1lqu h GLY 130 N 0.47 1.21 0.79 2.17 0.00 -1.12 0.26 103.07 106.85 1lqu h GLY 130 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1lqu h GLY 130 CO -0.01 0.32 -0.03 -0.25 0.00 0.00 0.00 176.54 176.57 1lqu h TRP 131 N 1.00 -0.09 0.00 5.60 7.01 -0.91 0.30 115.95 128.86 1lqu h TRP 131 Ca 0.34 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1lqu h TRP 131 Cb 0.05 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1lqu h TRP 131 CO -0.03 0.13 0.00 0.10 -2.79 0.00 0.00 178.44 175.85 1lqu h TYR 132 N -0.30 0.00 -0.66 2.65 -0.00 -0.63 -2.45 116.97 115.58 1lqu h TYR 132 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 1lqu h TYR 132 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.99 1lqu h TYR 132 CO -0.01 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.24 1lqu n ASN 133 N -2.88 4.48 -2.52 0.10 3.02 0.04 -0.70 115.26 116.81 1lqu n ASN 133 Ca 0.01 -2.33 -0.20 0.00 -0.03 0.00 0.00 54.58 52.03 1lqu n ASN 133 Cb 0.30 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.23 -0.74 -2.16 5.41 0.00 -0.90 -4.79 120.51 118.57 1lqu n ALA 134 Ca 0.25 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1lqu n ALA 134 Cb 0.81 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.06 2.85 0.48 0.00 2.46 0.04 -4.58 115.29 113.47 1lqu s HIS 135 Ca 0.14 0.75 0.20 0.00 0.47 0.00 0.00 55.06 56.62 1lqu s HIS 135 Cb -0.06 -3.72 1.22 0.00 -0.13 0.00 0.00 32.58 29.89 1lqu s HIS 135 CO 0.17 -2.69 1.95 -1.35 -2.47 0.00 0.00 174.74 170.36 1lqu h PRO 136 N 7.73 0.21 0.00 2.88 0.11 -1.88 -0.97 132.00 140.09 1lqu h PRO 136 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lqu h PRO 136 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1lqu h PRO 136 CO 0.90 0.14 0.00 0.72 -0.21 0.00 0.00 178.00 179.55 1lqu n HIS 137 N -4.43 0.00 -0.74 0.65 8.25 -1.26 -3.29 115.22 114.40 1lqu n HIS 137 Ca 0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.64 1lqu n HIS 137 Cb 0.57 -0.50 0.08 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.50 0.00 0.13 4.41 3.72 -0.37 -4.76 117.46 119.09 1lqu n PHE 138 Ca 0.05 -0.76 0.05 0.00 -0.05 0.00 0.00 57.45 56.74 1lqu n PHE 138 Cb 0.22 -0.11 0.51 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.26 -0.69 -1.08 4.81 -1.53 -2.64 114.58 113.70 1lqu h GLU 139 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1lqu h GLU 139 Cb 0.84 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1lqu h GLU 139 CO 0.00 0.20 0.00 1.04 -0.73 0.00 0.00 179.01 179.52 1lqu n GLN 140 N -4.47 3.50 -0.16 1.92 1.13 -1.26 -4.44 117.38 113.60 1lqu n GLN 140 Ca -0.00 -2.86 -0.07 0.00 -1.94 0.00 0.00 57.00 52.13 1lqu n GLN 140 Cb 0.11 -1.82 0.01 0.00 0.11 0.00 0.00 30.24 28.65 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 4.25 1.12 -6.91 5.09 2.07 -1.83 -3.46 116.25 116.59 1lqu h VAL 141 Ca 0.00 -0.22 -0.57 0.00 0.82 0.00 0.00 66.70 66.73 1lqu h VAL 141 Cb 1.35 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1lqu h VAL 141 CO 0.17 0.12 -1.05 -1.20 0.02 0.00 0.00 177.57 175.63 1lqu n SER 142 N -4.76 -4.30 -4.78 0.57 7.64 -1.26 -4.88 113.62 101.86 1lqu n SER 142 Ca 0.02 -1.20 -0.35 0.00 1.01 0.00 0.00 58.87 58.34 1lqu n SER 142 Cb 0.02 -1.58 -0.00 0.00 -1.01 0.00 0.00 64.21 61.64 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 -6.67 3.39 -0.42 1.43 0.04 -1.26 -4.96 135.00 126.55 1lqu s PRO 143 Ca 0.33 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1lqu s PRO 143 Cb -0.19 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1lqu s PRO 143 CO 0.95 -0.81 1.18 0.34 0.04 0.00 0.00 177.00 178.70 1lqu s ASP 144 N -1.80 6.66 -0.27 6.66 -1.08 -1.26 -4.89 116.67 120.68 1lqu s ASP 144 Ca 0.72 0.72 0.12 0.00 -0.52 0.00 0.00 52.55 53.59 1lqu s ASP 144 Cb -0.23 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.29 1lqu s ASP 144 CO 0.26 -1.18 1.60 0.18 0.52 0.00 0.00 175.17 176.55 1lqu n LEU 145 N 7.76 4.89 0.09 -1.34 4.77 -1.26 -4.60 117.00 127.31 1lqu n LEU 145 Ca 0.13 -3.32 0.12 0.00 -0.03 0.00 0.00 56.01 52.91 1lqu n LEU 145 Cb 0.48 -0.66 0.15 0.00 -2.33 0.00 0.00 43.42 41.07 1lqu n LEU 145 CO 0.68 0.89 0.37 0.77 -1.33 0.00 0.00 177.39 178.77 1lqu h SER 146 N 1.87 0.00 -3.91 -1.43 4.64 -1.90 -3.28 113.55 109.53 1lqu h SER 146 Ca 0.19 -0.12 -0.47 0.00 -0.47 0.00 0.00 61.79 60.91 1lqu h SER 146 Cb 1.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 1lqu h SER 146 CO 0.50 0.06 0.23 -0.83 -0.87 0.00 0.00 176.83 175.91 1lqu s GLY 147 N -3.88 2.23 0.31 -0.77 0.00 -1.26 -4.67 107.32 99.28 1lqu s GLY 147 Ca 0.05 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.95 1lqu s GLY 147 CO 0.72 0.37 1.76 0.00 0.00 0.00 0.00 173.10 175.95 1lqu h ALA 148 N 1.71 1.20 -3.67 3.20 0.00 -1.92 -3.25 119.26 116.54 1lqu h ALA 148 Ca -0.48 -0.33 -0.68 0.00 0.00 0.00 0.00 54.91 53.42 1lqu h ALA 148 Cb 1.18 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.55 1lqu h ALA 148 CO 0.63 0.52 -0.88 0.50 0.00 0.00 0.00 179.25 180.02 1lqu s ARG 149 N -4.45 2.82 0.04 0.00 3.52 -1.26 -0.38 118.95 119.24 1lqu s ARG 149 Ca -0.06 -0.88 0.07 0.00 -0.13 0.00 0.00 55.73 54.73 1lqu s ARG 149 Cb 0.14 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.25 1lqu s ARG 149 CO 0.77 0.28 -0.19 0.00 -0.81 0.00 0.00 175.30 175.35 1lqu s ALA 150 N 0.09 2.55 -0.09 6.12 0.00 -0.36 -1.32 121.76 128.74 1lqu s ALA 150 Ca -0.11 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.68 1lqu s ALA 150 Cb -0.16 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1lqu s ALA 150 CO 0.06 0.57 -0.23 0.08 0.00 0.00 0.00 175.76 176.24 1lqu s VAL 151 N -0.91 1.99 -0.16 0.00 1.01 0.02 -1.05 120.40 121.29 1lqu s VAL 151 Ca 0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1lqu s VAL 151 Cb -0.10 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1lqu s VAL 151 CO 0.05 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 1lqu s VAL 152 N 0.27 2.69 -0.18 2.92 1.01 0.19 -0.50 120.40 126.80 1lqu s VAL 152 Ca -0.16 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1lqu s VAL 152 Cb -0.17 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1lqu s VAL 152 CO 0.08 0.51 0.32 -0.63 0.00 0.00 0.00 175.10 175.38 1lqu s ILE 153 N 0.91 5.27 0.00 2.22 -1.09 -0.22 -0.55 121.20 127.73 1lqu s ILE 153 Ca -0.03 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1lqu s ILE 153 Cb -0.15 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1lqu s ILE 153 CO -0.01 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1lqu n GLY 154 N 3.63 3.70 2.02 6.18 0.00 -0.21 0.06 105.19 120.58 1lqu n GLY 154 Ca -0.11 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 2.96 -4.93 1.61 5.03 -1.26 -4.41 115.26 114.26 1lqu n ASN 155 Ca 0.00 -3.03 -0.23 0.00 0.87 0.00 0.00 54.58 52.19 1lqu n ASN 155 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 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 -3.44 2.14 0.51 7.41 0.00 -1.26 -0.83 107.32 111.84 1lqu s GLY 156 Ca 0.40 -1.68 0.28 0.00 0.00 0.00 0.00 44.72 43.72 1lqu s GLY 156 CO -0.02 -1.79 1.99 3.43 0.00 0.00 0.00 173.10 176.71 1lqu h ASN 157 N 0.70 0.00 -0.31 1.64 2.35 -1.95 -1.69 115.58 116.32 1lqu h ASN 157 Ca -0.37 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.33 1lqu h ASN 157 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1lqu h ASN 157 CO 0.53 0.14 0.01 0.58 -1.65 0.00 0.00 177.43 177.04 1lqu h VAL 158 N 0.00 1.22 -0.92 2.81 2.07 -1.95 -1.44 116.25 118.04 1lqu h VAL 158 Ca -0.00 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1lqu h VAL 158 Cb 0.48 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1lqu h VAL 158 CO 0.02 0.30 0.59 0.00 0.02 0.00 0.00 177.57 178.50 1lqu h ALA 159 N 1.40 1.22 -0.55 1.67 0.00 -1.59 -1.23 119.26 120.18 1lqu h ALA 159 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1lqu h ALA 159 Cb 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1lqu h ALA 159 CO 0.01 0.43 0.27 -0.07 0.00 0.00 0.00 179.25 179.89 1lqu h LEU 160 N 1.13 0.73 -0.43 0.00 3.38 -1.35 -1.81 115.31 116.95 1lqu h LEU 160 Ca 0.37 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1lqu h LEU 160 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1lqu h LEU 160 CO -0.13 0.65 0.26 0.44 0.09 0.00 0.00 178.44 179.75 1lqu h ASP 161 N 0.75 0.44 -0.34 -0.43 3.32 -0.59 0.46 116.42 120.03 1lqu h ASP 161 Ca 0.19 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1lqu h ASP 161 Cb 0.12 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1lqu h ASP 161 CO -0.02 0.32 0.13 0.58 -1.72 0.00 0.00 179.24 178.52 1lqu h VAL 162 N 0.54 0.92 -0.66 -1.35 2.07 -1.11 -1.27 116.25 115.39 1lqu h VAL 162 Ca 0.16 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1lqu h VAL 162 Cb -0.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1lqu h VAL 162 CO -0.06 0.05 0.24 0.00 0.02 0.00 0.00 177.57 177.82 1lqu h ALA 163 N 1.21 0.86 -0.66 1.67 0.00 -0.93 -1.78 119.26 119.63 1lqu h ALA 163 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1lqu h ALA 163 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1lqu h ALA 163 CO -0.14 0.51 0.24 0.00 0.00 0.00 0.00 179.25 179.86 1lqu h ARG 164 N 0.95 1.00 -0.30 0.00 3.08 -0.58 -2.15 114.38 116.39 1lqu h ARG 164 Ca 0.22 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1lqu h ARG 164 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1lqu h ARG 164 CO -0.01 0.86 -0.28 0.82 -1.07 0.00 0.00 179.97 180.28 1lqu h ILE 165 N 0.94 1.28 0.00 2.04 1.08 -0.98 -0.19 117.51 121.68 1lqu h ILE 165 Ca 0.22 -1.38 -0.05 0.00 -0.39 0.00 0.00 64.86 63.26 1lqu h ILE 165 Cb 0.25 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1lqu h ILE 165 CO -0.01 0.44 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.58 1lqu h LEU 166 N 0.53 0.00 0.00 1.44 3.38 -1.11 -3.34 115.31 116.21 1lqu h LEU 166 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1lqu h LEU 166 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1lqu h LEU 166 CO 0.06 0.24 -0.93 0.18 0.09 0.00 0.00 178.44 178.08 1lqu n LEU 167 N -3.84 0.11 -4.77 1.67 4.77 -0.83 -4.78 117.00 109.34 1lqu n LEU 167 Ca -0.02 -0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 1lqu n LEU 167 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1lqu n LEU 167 CO 0.35 0.03 1.02 -0.89 -1.33 0.00 0.00 177.39 176.56 1lqu s THR 168 N -2.14 2.61 -0.21 -5.08 2.01 -0.11 -4.89 115.64 107.82 1lqu s THR 168 Ca -0.01 0.60 -0.40 0.00 0.31 0.00 0.00 61.69 62.19 1lqu s THR 168 Cb 0.04 -3.38 -0.16 0.00 0.01 0.00 0.00 72.50 69.01 1lqu s THR 168 CO 0.27 0.14 1.65 -0.67 -0.69 0.00 0.00 174.62 175.31 1lqu n ASP 169 N 0.97 2.15 0.29 3.53 -0.08 -1.26 -4.82 116.55 117.32 1lqu n ASP 169 Ca 0.01 1.09 0.16 0.00 -1.51 0.00 0.00 54.79 54.54 1lqu n ASP 169 Cb 0.41 -1.13 0.94 0.00 2.34 0.00 0.00 41.12 43.67 1lqu n ASP 169 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lqu h PRO 170 N 6.51 0.00 0.00 -0.67 0.11 -1.90 0.10 132.00 136.15 1lqu h PRO 170 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1lqu h PRO 170 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1lqu h PRO 170 CO 0.92 0.00 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.98 1lqu h ASP 171 N 0.00 0.00 -0.06 -2.05 3.32 -1.98 0.62 116.42 116.27 1lqu h ASP 171 Ca 0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1lqu h ASP 171 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1lqu h ASP 171 CO -0.00 0.29 -0.27 0.58 -1.72 0.00 0.00 179.24 178.11 1lqu h VAL 172 N 0.00 1.44 0.00 -1.35 2.07 -1.35 -3.24 116.25 113.82 1lqu h VAL 172 Ca -0.00 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1lqu h VAL 172 Cb 0.56 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1lqu h VAL 172 CO 0.04 0.48 -0.09 -0.07 0.02 0.00 0.00 177.57 177.94 1lqu h LEU 173 N -0.22 0.00 -1.14 2.57 3.38 -1.11 -2.12 115.31 116.66 1lqu h LEU 173 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lqu h LEU 173 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1lqu h LEU 173 CO 0.06 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1lqu n ALA 174 N -2.39 1.32 1.35 1.53 0.00 0.18 -1.18 120.51 121.32 1lqu n ALA 174 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1lqu n ALA 174 Cb 0.18 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 18.70 1lqu n ALA 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1lqu n ARG 175 N -2.28 1.33 -3.22 0.00 5.12 -0.80 -4.81 116.66 111.99 1lqu n ARG 175 Ca 0.00 -0.81 -0.21 0.00 -1.93 0.00 0.00 57.85 54.90 1lqu n ARG 175 Cb 0.12 -1.48 0.04 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.23 2.08 -0.79 0.55 -4.23 -0.33 -4.27 115.64 106.43 1lqu s THR 176 Ca 0.31 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1lqu s THR 176 Cb 0.20 -2.19 0.30 0.00 1.34 0.00 0.00 72.50 72.15 1lqu s THR 176 CO 0.42 0.00 0.97 -0.90 -0.54 0.00 0.00 174.62 174.57 1lqu n ASP 177 N -2.11 2.69 -4.54 3.99 5.68 -1.26 -4.70 116.55 116.29 1lqu n ASP 177 Ca 0.11 -2.33 -0.39 0.00 -0.50 0.00 0.00 54.79 51.69 1lqu n ASP 177 Cb 0.62 -0.55 0.03 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.23 2.68 -1.74 2.12 3.06 -1.26 -4.61 119.36 119.84 1lqu n ILE 178 Ca 0.10 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.43 1lqu n ILE 178 Cb 0.58 -0.90 -0.01 0.00 0.54 0.00 0.00 39.64 39.85 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 -1.37 2.12 -0.36 1.51 0.00 0.12 -4.82 120.51 117.70 1lqu n ALA 179 Ca 0.12 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.96 1lqu n ALA 179 Cb 0.45 -2.39 0.19 0.00 0.00 0.00 0.00 19.45 17.70 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 3.89 1.01 -0.16 0.00 3.32 -1.89 -1.22 116.42 121.37 1lqu h ASP 180 Ca -0.48 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1lqu h ASP 180 Cb 1.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1lqu h ASP 180 CO 0.72 0.63 0.04 1.12 -1.72 0.00 0.00 179.24 180.03 1lqu h HIS 181 N 1.14 0.33 -0.03 4.55 2.07 -1.93 -1.18 115.15 120.09 1lqu h HIS 181 Ca 0.44 -0.01 -0.18 0.00 -2.85 0.00 0.00 60.37 57.77 1lqu h HIS 181 Cb 0.23 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 30.12 1lqu h HIS 181 CO -0.00 0.31 -0.69 0.00 -3.07 0.00 0.00 177.93 174.47 1lqu h ALA 182 N 1.72 0.12 -0.64 6.11 0.00 -1.56 -2.88 119.26 122.14 1lqu h ALA 182 Ca 0.08 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1lqu h ALA 182 Cb 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1lqu h ALA 182 CO -0.00 0.45 0.30 -0.07 0.00 0.00 0.00 179.25 179.93 1lqu h LEU 183 N 0.08 0.38 -0.75 0.00 3.38 -0.95 -0.02 115.31 117.43 1lqu h LEU 183 Ca -0.08 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1lqu h LEU 183 Cb 1.38 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 1lqu h LEU 183 CO 0.14 0.23 0.43 -0.33 0.09 0.00 0.00 178.44 179.00 1lqu h GLU 184 N 0.53 0.76 0.00 1.13 5.08 -1.21 -0.98 114.58 119.89 1lqu h GLU 184 Ca 0.31 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1lqu h GLU 184 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1lqu h GLU 184 CO -0.25 0.50 -0.43 0.77 -1.00 0.00 0.00 179.01 178.61 1lqu h SER 185 N 0.78 0.00 1.18 1.42 0.02 -1.09 -3.23 113.55 112.63 1lqu h SER 185 Ca 0.34 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 1lqu h SER 185 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1lqu h SER 185 CO -0.19 0.43 -0.86 -0.07 -1.14 0.00 0.00 176.83 175.00 1lqu h LEU 186 N 0.00 0.00 -1.15 5.07 3.38 -0.49 -3.39 115.31 118.74 1lqu h LEU 186 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1lqu h LEU 186 Cb 1.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1lqu h LEU 186 CO 0.06 0.36 0.59 0.03 0.09 0.00 0.00 178.44 179.57 1lqu h ARG 187 N 0.00 0.92 0.00 1.13 3.08 -1.22 -1.91 114.38 116.39 1lqu h ARG 187 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1lqu h ARG 187 Cb 1.32 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1lqu h ARG 187 CO 0.04 0.61 0.00 -1.35 -1.07 0.00 0.00 179.97 178.20 1lqu h PRO 188 N 0.95 0.00 -5.79 0.04 0.11 -1.78 -3.47 132.00 122.06 1lqu h PRO 188 Ca 0.42 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 66.15 1lqu h PRO 188 Cb 0.36 0.00 0.15 0.00 0.11 0.00 0.00 31.00 31.61 1lqu h PRO 188 CO -0.18 0.00 -0.70 0.54 -0.21 0.00 0.00 178.00 177.45 1lqu n ARG 189 N -2.66 -7.61 -0.14 1.05 1.74 -0.72 -4.91 116.66 103.42 1lqu n ARG 189 Ca -0.01 0.83 -0.05 0.00 -0.77 0.00 0.00 57.85 57.85 1lqu n ARG 189 Cb 0.11 -5.88 0.13 0.00 -1.02 0.00 0.00 32.46 25.79 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 -2.48 0.94 -4.76 -0.13 0.00 -1.83 -3.41 103.07 91.39 1lqu h GLY 190 Ca -0.57 -0.63 -0.56 0.00 0.00 0.00 0.00 47.33 45.57 1lqu h GLY 190 CO 0.54 0.58 0.63 -0.42 0.00 0.00 0.00 176.54 177.87 1lqu s ILE 191 N -5.02 4.57 -0.04 2.60 1.01 -1.23 -3.77 121.20 119.33 1lqu s ILE 191 Ca -0.10 1.86 0.16 0.00 0.00 0.00 0.00 60.65 62.57 1lqu s ILE 191 Cb 0.14 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 38.17 1lqu s ILE 191 CO 0.82 -0.00 0.32 0.00 0.00 0.00 0.00 174.94 176.08 1lqu n GLN 192 N 5.14 0.62 -3.76 2.79 1.13 0.49 -4.93 117.38 118.85 1lqu n GLN 192 Ca 0.10 -0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 54.90 1lqu n GLN 192 Cb 0.48 -1.39 -0.13 0.00 0.11 0.00 0.00 30.24 29.31 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 -3.03 0.20 -0.14 -1.09 2.12 -0.73 -0.93 118.70 115.10 1lqu s GLU 193 Ca -0.06 0.41 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1lqu s GLU 193 Cb 0.10 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 1lqu s GLU 193 CO 0.67 -0.11 -0.16 0.08 -0.54 0.00 0.00 175.26 175.20 1lqu s VAL 194 N 0.77 2.69 -0.27 3.70 1.01 -0.05 -1.22 120.40 127.03 1lqu s VAL 194 Ca -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1lqu s VAL 194 Cb -0.07 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1lqu s VAL 194 CO -0.04 0.52 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1lqu s VAL 195 N 0.63 4.54 -0.29 2.92 1.01 -0.22 -0.60 120.40 128.38 1lqu s VAL 195 Ca -0.09 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1lqu s VAL 195 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1lqu s VAL 195 CO 0.03 0.27 0.33 -0.63 0.00 0.00 0.00 175.10 175.10 1lqu s ILE 196 N 1.64 5.20 -0.28 2.22 1.01 0.88 -0.64 121.20 131.23 1lqu s ILE 196 Ca 0.06 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 1lqu s ILE 196 Cb -0.16 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1lqu s ILE 196 CO 0.05 0.10 -0.00 -0.69 0.00 0.00 0.00 174.94 174.40 1lqu s VAL 197 N 1.99 3.19 -0.13 2.92 1.01 0.28 -0.84 120.40 128.83 1lqu s VAL 197 Ca 0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1lqu s VAL 197 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1lqu s VAL 197 CO 0.11 0.06 0.01 -0.83 0.00 0.00 0.00 175.10 174.44 1lqu s GLY 198 N 1.35 1.83 0.12 4.51 0.00 0.13 -1.04 107.32 114.22 1lqu s GLY 198 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1lqu s GLY 198 CO -0.02 -0.25 1.31 0.07 0.00 0.00 0.00 173.10 174.22 1lqu h ARG 199 N 6.04 0.54 0.00 2.90 0.11 -1.83 0.35 114.38 122.49 1lqu h ARG 199 Ca -0.41 -0.52 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 0.61 1.15 0.00 0.54 0.10 0.00 0.00 179.97 182.37 1lqu n ARG 200 N -3.82 2.42 -3.02 0.08 1.74 -1.26 -3.63 116.66 109.17 1lqu n ARG 200 Ca -0.07 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 1lqu n ARG 200 Cb 0.80 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.26 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 2.46 0.37 -0.13 0.00 -1.26 -0.86 105.19 110.76 1lqu n GLY 201 Ca 0.00 -2.25 0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 0.67 0.00 1.61 0.11 -1.99 -1.14 132.00 131.26 1lqu h PRO 202 Ca -0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1lqu h PRO 202 Cb 1.00 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1lqu h PRO 202 CO 0.38 0.44 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.43 1lqu h LEU 203 N 0.69 0.00 -1.81 2.35 3.38 -1.96 -2.66 115.31 115.30 1lqu h LEU 203 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1lqu h LEU 203 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1lqu h LEU 203 CO -0.15 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1lqu n GLN 204 N -3.45 2.24 -1.86 1.13 3.00 -0.46 -4.99 117.38 112.99 1lqu n GLN 204 Ca -0.01 -1.81 -0.38 0.00 -0.01 0.00 0.00 57.00 54.79 1lqu n GLN 204 Cb 0.28 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 29.09 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 -1.94 2.79 -2.52 -1.58 0.00 -1.00 -4.91 121.76 112.60 1lqu s ALA 205 Ca 0.31 1.25 0.24 0.00 0.00 0.00 0.00 51.96 53.75 1lqu s ALA 205 Cb 0.20 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.42 1lqu s ALA 205 CO 0.31 -1.27 1.50 0.00 0.00 0.00 0.00 175.76 176.30 1lqu n ALA 206 N -1.05 2.50 -1.31 0.00 0.00 -0.01 -4.95 120.51 115.68 1lqu n ALA 206 Ca 0.11 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 1lqu n ALA 206 Cb 0.46 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.01 1lqu n ALA 206 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lqu s PHE 207 N -1.81 2.02 0.38 0.00 0.08 -1.04 -4.43 117.98 113.17 1lqu s PHE 207 Ca 0.34 1.61 0.08 0.00 0.12 0.00 0.00 56.93 59.08 1lqu s PHE 207 Cb 0.20 -3.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1lqu s PHE 207 CO 0.30 -2.64 0.19 0.95 -0.10 0.00 0.00 175.22 173.92 1lqu s THR 208 N -2.03 2.71 -0.04 0.64 -4.23 -1.26 -4.96 115.64 106.48 1lqu s THR 208 Ca 0.74 -1.64 -0.22 0.00 -1.18 0.00 0.00 61.69 59.39 1lqu s THR 208 Cb -0.29 -2.99 -0.25 0.00 1.34 0.00 0.00 72.50 70.31 1lqu s THR 208 CO 0.46 -0.09 1.01 0.74 -0.54 0.00 0.00 174.62 176.20 1lqu h THR 209 N 1.42 1.51 -0.78 3.99 2.02 -1.96 -2.58 112.91 116.53 1lqu h THR 209 Ca -0.43 -2.16 0.10 0.00 0.77 0.00 0.00 66.41 64.69 1lqu h THR 209 Cb 1.25 2.85 -0.08 0.00 -1.74 0.00 0.00 68.15 70.43 1lqu h THR 209 CO 0.65 0.61 0.41 0.25 0.37 0.00 0.00 175.52 177.81 1lqu h LEU 210 N -0.35 0.55 -1.49 2.58 5.85 -1.98 0.25 115.31 120.72 1lqu h LEU 210 Ca -0.07 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1lqu h LEU 210 Cb 1.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1lqu h LEU 210 CO 0.10 0.30 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.00 1lqu h GLU 211 N 0.68 0.13 -0.01 1.25 3.07 -1.96 -0.07 114.58 117.66 1lqu h GLU 211 Ca 0.39 -0.03 -0.26 0.00 -0.50 0.00 0.00 59.36 58.96 1lqu h GLU 211 Cb 0.43 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1lqu h GLU 211 CO -0.28 0.30 -1.02 -0.07 -1.40 0.00 0.00 179.01 176.54 1lqu h LEU 212 N 0.12 0.88 -1.05 1.33 3.38 -0.85 -3.33 115.31 115.79 1lqu h LEU 212 Ca 0.02 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1lqu h LEU 212 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1lqu h LEU 212 CO 0.02 1.50 0.19 0.03 0.09 0.00 0.00 178.44 180.27 1lqu h ARG 213 N 0.39 0.87 0.00 1.13 3.08 -0.08 -2.89 114.38 116.88 1lqu h ARG 213 Ca -0.12 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1lqu h ARG 213 Cb 1.67 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1lqu h ARG 213 CO 0.20 0.74 0.00 -0.85 -1.07 0.00 0.00 179.97 178.99 1lqu n GLU 214 N -4.30 0.13 0.14 0.04 0.28 -0.13 -2.68 120.64 114.12 1lqu n GLU 214 Ca 0.05 0.27 0.05 0.00 -0.16 0.00 0.00 57.16 57.37 1lqu n GLU 214 Cb 0.20 -1.70 0.51 0.00 1.43 0.00 0.00 31.44 31.88 1lqu n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1lqu h LEU 215 N 0.00 0.20 -0.36 -1.84 3.38 -1.62 -1.99 115.31 113.07 1lqu h LEU 215 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lqu h LEU 215 Cb 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1lqu h LEU 215 CO 0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1lqu n ALA 216 N -2.51 1.70 1.57 1.53 0.00 -1.09 -2.92 120.51 118.79 1lqu n ALA 216 Ca -0.00 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1lqu n ALA 216 Cb 0.12 -1.33 0.58 0.00 0.00 0.00 0.00 19.45 18.82 1lqu n ALA 216 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1lqu n ASP 217 N -1.91 1.26 -4.60 0.00 8.00 -0.75 -4.79 116.55 113.76 1lqu n ASP 217 Ca 0.03 -1.43 -0.43 0.00 0.71 0.00 0.00 54.79 53.67 1lqu n ASP 217 Cb 0.21 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.97 3.68 0.36 0.64 1.02 -1.15 -4.99 118.68 116.27 1lqu s LEU 218 Ca 0.39 0.52 -0.28 0.00 0.02 0.00 0.00 54.13 54.78 1lqu s LEU 218 Cb 0.21 -3.54 -0.10 0.00 0.02 0.00 0.00 46.19 42.78 1lqu s LEU 218 CO 0.34 -1.21 1.39 -1.81 0.02 0.00 0.00 176.35 175.07 1lqu s ASP 219 N 2.37 6.56 0.00 2.29 1.01 -1.26 -2.36 116.67 125.27 1lqu s ASP 219 Ca 0.47 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.58 1lqu s ASP 219 Cb -0.08 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1lqu s ASP 219 CO 0.30 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1lqu n GLY 220 N 0.64 0.59 3.17 0.21 0.00 -1.26 -4.52 105.19 104.02 1lqu n GLY 220 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.40 1.51 -0.10 1.61 1.01 -1.00 -0.73 120.40 120.30 1lqu s VAL 221 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1lqu s VAL 221 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1lqu s VAL 221 CO 0.00 0.43 -0.04 -1.81 0.00 0.00 0.00 175.10 173.69 1lqu s ASP 222 N -0.20 4.89 -0.19 3.32 1.01 0.01 -4.83 116.67 120.67 1lqu s ASP 222 Ca 0.01 -0.00 -0.21 0.00 0.71 0.00 0.00 52.55 53.06 1lqu s ASP 222 Cb -0.10 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 1lqu s ASP 222 CO 0.01 0.30 0.62 -0.69 0.21 0.00 0.00 175.17 175.62 1lqu s VAL 223 N -0.43 5.03 -0.18 -1.27 1.01 -1.26 -0.59 120.40 122.71 1lqu s VAL 223 Ca 0.07 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1lqu s VAL 223 Cb -0.12 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1lqu s VAL 223 CO 0.02 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.39 1lqu s VAL 224 N 1.83 2.32 -0.05 2.92 1.01 0.38 -4.86 120.40 123.95 1lqu s VAL 224 Ca 0.28 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1lqu s VAL 224 Cb -0.16 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1lqu s VAL 224 CO 0.10 0.52 0.03 -0.63 0.00 0.00 0.00 175.10 175.12 1lqu s ILE 225 N 1.28 0.11 0.18 2.22 1.01 -1.26 -1.26 121.20 123.48 1lqu s ILE 225 Ca 0.04 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 1lqu s ILE 225 Cb -0.13 -0.30 -0.10 0.00 0.01 0.00 0.00 42.46 41.93 1lqu s ILE 225 CO -0.10 0.20 1.56 -0.62 0.00 0.00 0.00 174.94 175.97 1lqu s ASP 226 N 1.89 6.58 0.58 3.58 -1.08 -1.26 -4.26 116.67 122.70 1lqu s ASP 226 Ca 0.02 2.64 0.28 0.00 -0.52 0.00 0.00 52.55 54.97 1lqu s ASP 226 Cb -0.12 -2.60 1.56 0.00 -1.46 0.00 0.00 42.92 40.30 1lqu s ASP 226 CO -0.04 -0.82 2.01 -0.65 0.52 0.00 0.00 175.17 176.20 1lqu h PRO 227 N 6.52 0.00 0.00 4.34 0.11 -1.98 0.11 132.00 141.11 1lqu h PRO 227 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1lqu h PRO 227 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lqu h PRO 227 CO 0.89 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.63 1lqu h ALA 228 N 1.65 1.25 0.00 -0.75 0.00 -1.97 -1.26 119.26 118.19 1lqu h ALA 228 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1lqu h ALA 228 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1lqu h ALA 228 CO -0.00 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.25 1lqu h GLU 229 N 0.00 0.00 -0.32 0.00 4.39 -1.14 -2.44 114.58 115.06 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 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1lqu h GLU 229 CO 0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.14 1lqu n LEU 230 N -3.08 2.94 -4.80 1.33 4.77 -0.48 -4.72 117.00 112.97 1lqu n LEU 230 Ca -0.02 -1.67 -0.35 0.00 -0.03 0.00 0.00 56.01 53.94 1lqu n LEU 230 Cb 0.13 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1lqu n LEU 230 CO 0.22 0.68 0.69 1.51 -1.33 0.00 0.00 177.39 179.16 1lqu s ASP 231 N -1.09 6.87 0.00 -1.43 1.47 -0.92 -2.50 116.67 119.06 1lqu s ASP 231 Ca 0.27 1.87 0.00 0.00 1.18 0.00 0.00 52.55 55.87 1lqu s ASP 231 Cb 0.15 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.17 1lqu s ASP 231 CO 0.21 -0.41 0.00 0.61 0.68 0.00 0.00 175.17 176.26 1lqu n GLY 232 N -0.00 0.80 3.16 2.12 0.00 -1.26 -5.02 105.19 104.98 1lqu n GLY 232 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.06 2.55 0.40 -0.61 1.01 -1.04 -5.06 121.20 115.39 1lqu s ILE 233 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 59.59 1lqu s ILE 233 Cb 0.00 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1lqu s ILE 233 CO 0.00 0.22 0.53 0.42 0.00 0.00 0.00 174.94 176.11 1lqu s THR 234 N 1.27 3.26 0.38 2.92 -4.23 -1.26 -4.99 115.64 112.99 1lqu s THR 234 Ca -0.01 -1.02 0.10 0.00 -1.18 0.00 0.00 61.69 59.58 1lqu s THR 234 Cb -0.17 -3.11 0.13 0.00 1.34 0.00 0.00 72.50 70.69 1lqu s THR 234 CO -0.06 -0.04 1.87 0.44 -0.54 0.00 0.00 174.62 176.28 1lqu h ASP 235 N 0.74 0.16 -0.44 3.99 3.32 -1.99 -1.88 116.42 120.31 1lqu h ASP 235 Ca -0.42 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1lqu h ASP 235 Cb 1.27 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1lqu h ASP 235 CO 0.48 0.40 0.06 -0.08 -1.72 0.00 0.00 179.24 178.38 1lqu h GLU 236 N 0.15 0.73 -0.58 3.56 4.81 -1.99 -0.45 114.58 120.82 1lqu h GLU 236 Ca 0.03 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1lqu h GLU 236 Cb 0.50 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1lqu h GLU 236 CO 0.03 0.77 0.35 -0.44 -0.73 0.00 0.00 179.01 178.99 1lqu h ASP 237 N 0.59 0.55 -0.22 1.04 3.32 -1.81 -1.57 116.42 118.32 1lqu h ASP 237 Ca 0.13 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1lqu h ASP 237 Cb 0.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1lqu h ASP 237 CO 0.01 0.38 -0.02 0.00 -1.72 0.00 0.00 179.24 177.89 1lqu h ALA 238 N 1.27 0.31 0.00 3.45 0.00 -1.16 -2.91 119.26 120.22 1lqu h ALA 238 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1lqu h ALA 238 Cb 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1lqu h ALA 238 CO -0.12 0.06 -0.13 0.00 0.00 0.00 0.00 179.25 179.06 1lqu h ALA 239 N 0.78 1.66 0.00 0.00 0.00 -0.93 -1.76 119.26 119.01 1lqu h ALA 239 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1lqu h ALA 239 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1lqu h ALA 239 CO 0.02 0.16 -0.26 0.00 0.00 0.00 0.00 179.25 179.17 1lqu h ALA 240 N 1.87 1.15 0.00 0.00 0.00 -1.09 -2.86 119.26 118.34 1lqu h ALA 240 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1lqu h ALA 240 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lqu h ALA 240 CO 0.02 0.32 -0.29 0.28 0.00 0.00 0.00 179.25 179.58 1lqu h VAL 241 N 0.00 1.54 0.00 0.00 2.07 -1.26 -3.50 116.25 115.10 1lqu h VAL 241 Ca -0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1lqu h VAL 241 Cb 0.65 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1lqu h VAL 241 CO 0.03 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1lqu n GLY 242 N 1.09 -0.17 0.27 2.17 0.00 -1.07 -4.94 105.19 102.53 1lqu n GLY 242 Ca -0.10 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 0.95 -0.41 1.61 1.57 -1.86 -1.30 116.57 117.12 1lqu h LYS 243 Ca 0.00 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1lqu h LYS 243 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1lqu h LYS 243 CO 0.00 1.06 0.07 0.28 -0.57 0.00 0.00 179.45 180.29 1lqu h VAL 244 N 0.80 1.24 -0.39 0.50 2.07 -1.94 -2.34 116.25 116.19 1lqu h VAL 244 Ca 0.11 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1lqu h VAL 244 Cb 0.75 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1lqu h VAL 244 CO 0.06 0.30 0.22 0.00 0.02 0.00 0.00 177.57 178.17 1lqu h LYS 246 N 0.45 0.25 -0.25 0.00 3.64 -1.04 0.47 116.57 120.08 1lqu h LYS 246 Ca 0.16 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 1lqu h LYS 246 Cb 0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1lqu h LYS 246 CO -0.09 0.16 -0.55 1.96 -2.27 0.00 0.00 179.45 178.67 1lqu h GLN 247 N 0.26 0.75 -0.49 1.90 1.08 -0.92 -2.73 115.11 114.95 1lqu h GLN 247 Ca 0.30 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1lqu h GLN 247 Cb 0.43 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 1lqu h GLN 247 CO -0.38 1.10 0.28 -0.91 -0.95 0.00 0.00 178.83 177.97 1lqu h ASN 248 N 0.58 0.44 -0.48 1.46 2.35 0.05 -2.13 115.58 117.85 1lqu h ASN 248 Ca 0.01 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1lqu h ASN 248 Cb 1.13 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1lqu h ASN 248 CO 0.12 0.31 0.06 0.40 -1.65 0.00 0.00 177.43 176.66 1lqu h ILE 249 N 0.55 1.24 -0.76 2.81 1.08 -0.83 0.22 117.51 121.81 1lqu h ILE 249 Ca 0.20 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1lqu h ILE 249 Cb 0.06 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1lqu h ILE 249 CO -0.11 0.35 0.42 0.11 -0.69 0.00 0.00 178.15 178.23 1lqu h LYS 250 N 0.82 1.06 -0.34 2.37 1.57 -1.18 0.10 116.57 120.98 1lqu h LYS 250 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1lqu h LYS 250 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1lqu h LYS 250 CO 0.01 0.79 0.00 0.28 -0.57 0.00 0.00 179.45 179.96 1lqu h VAL 251 N 1.06 1.26 -0.69 0.50 2.07 -0.71 -1.68 116.25 118.06 1lqu h VAL 251 Ca 0.27 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1lqu h VAL 251 Cb 0.03 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1lqu h VAL 251 CO -0.04 0.32 0.19 -0.07 0.02 0.00 0.00 177.57 177.98 1lqu h LEU 252 N 0.41 1.01 -0.80 2.57 3.38 -0.61 -1.70 115.31 119.56 1lqu h LEU 252 Ca 0.10 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1lqu h LEU 252 Cb 0.45 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1lqu h LEU 252 CO 0.02 0.96 0.51 0.03 0.09 0.00 0.00 178.44 180.04 1lqu h ARG 253 N 1.03 0.96 -0.31 1.13 3.08 -0.66 -0.22 114.38 119.39 1lqu h ARG 253 Ca 0.22 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1lqu h ARG 253 Cb 0.33 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1lqu h ARG 253 CO -0.00 0.63 0.08 0.78 -1.07 0.00 0.00 179.97 180.39 1lqu h GLY 254 N 0.99 0.37 1.26 0.04 0.00 -0.68 -1.50 103.07 103.55 1lqu h GLY 254 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 1lqu h GLY 254 CO -0.12 0.00 -0.06 -0.97 0.00 0.00 0.00 176.54 175.39 1lqu h TYR 255 N 0.20 0.97 0.00 5.60 0.05 -0.82 -2.56 116.97 120.40 1lqu h TYR 255 Ca 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1lqu h TYR 255 Cb 0.14 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1lqu h TYR 255 CO -0.16 0.90 -0.06 0.00 -1.05 0.00 0.00 178.16 177.79 1lqu h ALA 256 N 1.12 1.11 -0.00 3.88 0.00 -0.62 -2.10 119.26 122.64 1lqu h ALA 256 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lqu h ALA 256 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1lqu h ALA 256 CO 0.03 0.08 -0.13 -3.47 0.00 0.00 0.00 179.25 175.77 1lqu n ASP 257 N -3.32 0.28 -4.76 0.00 2.03 -0.60 -4.45 116.55 105.73 1lqu n ASP 257 Ca -0.01 -0.17 -0.36 0.00 0.52 0.00 0.00 54.79 54.76 1lqu n ASP 257 Cb 0.24 -0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 40.40 1lqu n ASP 257 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1lqu s ARG 258 N -2.71 4.08 -0.03 -0.67 0.52 -0.79 -5.06 118.95 114.29 1lqu s ARG 258 Ca 0.22 0.01 -0.28 0.00 -0.52 0.00 0.00 55.73 55.15 1lqu s ARG 258 Cb 0.19 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 1lqu s ARG 258 CO 0.52 0.38 0.92 -2.00 0.02 0.00 0.00 175.30 175.14 1lqu s GLU 259 N 0.07 4.51 0.66 3.54 2.56 -1.26 -4.93 118.70 123.85 1lqu s GLU 259 Ca 0.15 1.29 -0.17 0.00 0.00 0.00 0.00 54.97 56.24 1lqu s GLU 259 Cb -0.13 -3.47 -0.00 0.00 2.00 0.00 0.00 34.13 32.53 1lqu s GLU 259 CO 0.03 -0.08 1.20 -2.14 -0.56 0.00 0.00 175.26 173.72 1lqu s PRO 260 N 1.16 2.60 -0.42 4.30 0.02 -1.26 -4.99 135.00 136.41 1lqu s PRO 260 Ca 0.48 1.76 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 1lqu s PRO 260 Cb -0.20 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.49 1lqu s PRO 260 CO 0.24 -1.48 0.27 1.03 -0.33 0.00 0.00 177.00 176.74 1lqu s ARG 261 N -3.66 2.77 0.54 5.54 0.52 -1.26 -5.00 118.95 118.40 1lqu s ARG 261 Ca 0.75 -1.29 0.31 0.00 -0.52 0.00 0.00 55.73 54.98 1lqu s ARG 261 Cb -0.29 -3.85 1.06 0.00 0.52 0.00 0.00 34.95 32.39 1lqu s ARG 261 CO 0.39 -0.88 1.25 -2.30 0.02 0.00 0.00 175.30 173.79 1lqu n PRO 262 N 5.02 0.01 -0.08 3.54 -0.02 -1.26 -1.19 135.00 141.02 1lqu n PRO 262 Ca -0.11 0.95 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 1lqu n PRO 262 Cb 0.44 -2.31 0.25 0.00 -0.02 0.00 0.00 33.50 31.86 1lqu n PRO 262 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqu n GLY 263 N -1.70 -0.14 3.74 -1.23 0.00 -1.26 -4.90 105.19 99.70 1lqu n GLY 263 Ca 0.27 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.79 3.05 0.81 1.61 3.76 -0.33 -5.03 115.29 117.37 1lqu s HIS 264 Ca 0.21 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 54.98 1lqu s HIS 264 Cb 0.11 -1.50 0.08 0.00 1.11 0.00 0.00 32.58 32.38 1lqu s HIS 264 CO 0.16 0.51 1.09 1.03 -0.85 0.00 0.00 174.74 176.68 1lqu s ARG 265 N -2.85 1.98 -0.06 1.40 0.52 0.09 -4.79 118.95 115.23 1lqu s ARG 265 Ca 0.29 1.07 0.03 0.00 -0.52 0.00 0.00 55.73 56.60 1lqu s ARG 265 Cb -0.10 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1lqu s ARG 265 CO 0.21 -1.81 -0.17 1.03 0.02 0.00 0.00 175.30 174.59 1lqu s ARG 266 N -4.92 2.03 -0.36 3.54 0.52 -0.10 -0.81 118.95 118.85 1lqu s ARG 266 Ca 0.62 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1lqu s ARG 266 Cb -0.17 -1.66 0.09 0.00 0.52 0.00 0.00 34.95 33.72 1lqu s ARG 266 CO 0.56 0.14 0.12 1.41 0.02 0.00 0.00 175.30 177.56 1lqu s MET 267 N 0.36 2.14 -0.17 3.54 1.75 0.24 -0.87 119.30 126.29 1lqu s MET 267 Ca -0.12 -1.61 -0.07 0.00 -1.25 0.00 0.00 55.69 52.65 1lqu s MET 267 Cb -0.15 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 1lqu s MET 267 CO 0.04 -0.89 0.06 0.08 -0.65 0.00 0.00 175.02 173.66 1lqu s VAL 268 N 1.18 4.75 -0.24 10.11 1.01 0.23 -0.47 120.40 136.97 1lqu s VAL 268 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1lqu s VAL 268 Cb -0.21 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1lqu s VAL 268 CO -0.03 0.48 0.09 -0.36 0.00 0.00 0.00 175.10 175.28 1lqu s PHE 269 N 0.19 3.15 -0.15 5.22 0.40 -0.39 -0.08 117.98 126.31 1lqu s PHE 269 Ca 0.04 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1lqu s PHE 269 Cb -0.12 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1lqu s PHE 269 CO 0.01 -0.20 -0.17 1.03 0.70 0.00 0.00 175.22 176.59 1lqu s ARG 270 N 1.32 3.16 0.45 0.44 1.81 -0.02 -4.58 118.95 121.55 1lqu s ARG 270 Ca 0.05 -0.77 0.07 0.00 -1.72 0.00 0.00 55.73 53.36 1lqu s ARG 270 Cb -0.15 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 1lqu s ARG 270 CO 0.04 -0.01 0.42 -0.06 -0.68 0.00 0.00 175.30 175.02 1lqu s PHE 271 N 0.86 2.39 -1.53 -0.53 0.08 -1.26 -0.69 117.98 117.30 1lqu s PHE 271 Ca -0.05 -0.58 -0.12 0.00 0.12 0.00 0.00 56.93 56.31 1lqu s PHE 271 Cb -0.15 -2.13 0.08 0.00 -0.57 0.00 0.00 43.02 40.25 1lqu s PHE 271 CO -0.01 -0.28 0.85 1.28 -0.10 0.00 0.00 175.22 176.96 1lqu n LEU 272 N -1.65 -2.42 -3.82 -0.37 4.77 -0.04 -4.84 117.00 108.63 1lqu n LEU 272 Ca 0.04 -0.85 -0.13 0.00 -0.03 0.00 0.00 56.01 55.03 1lqu n LEU 272 Cb 0.62 -2.44 -0.15 0.00 -2.33 0.00 0.00 43.42 39.12 1lqu n LEU 272 CO 0.41 0.42 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.68 1lqu s THR 273 N -3.41 -0.03 0.07 -5.08 2.01 -0.07 -0.44 115.64 108.69 1lqu s THR 273 Ca 0.53 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.71 1lqu s THR 273 Cb -0.27 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1lqu s THR 273 CO 0.85 0.04 -0.24 -0.44 -0.69 0.00 0.00 174.62 174.15 1lqu s SER 274 N 0.51 2.86 0.04 3.53 0.01 -0.06 -2.78 113.70 117.81 1lqu s SER 274 Ca -0.04 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.30 1lqu s SER 274 Cb -0.06 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1lqu s SER 274 CO -0.02 0.18 1.12 -2.16 0.41 0.00 0.00 173.24 172.77 1lqu s PRO 275 N -1.50 4.48 -0.25 12.44 0.04 -1.26 -0.61 135.00 148.34 1lqu s PRO 275 Ca 0.10 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 1lqu s PRO 275 Cb -0.10 -3.39 -0.16 0.00 0.04 0.00 0.00 34.50 30.90 1lqu s PRO 275 CO 0.03 -0.19 -0.23 -0.89 0.04 0.00 0.00 177.00 175.76 1lqu n ILE 276 N 3.93 1.42 -3.57 0.56 2.08 0.58 -4.91 119.36 119.44 1lqu n ILE 276 Ca 0.08 -0.52 -0.16 0.00 0.56 0.00 0.00 62.75 62.71 1lqu n ILE 276 Cb 0.48 -1.44 -0.06 0.00 -0.75 0.00 0.00 39.64 37.87 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 -2.49 0.95 -0.14 0.38 2.12 -1.19 -4.32 118.70 114.01 1lqu s GLU 277 Ca -0.34 0.61 -0.03 0.00 0.36 0.00 0.00 54.97 55.58 1lqu s GLU 277 Cb 0.09 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.91 1lqu s GLU 277 CO 0.56 -0.22 -0.06 0.42 -0.54 0.00 0.00 175.26 175.42 1lqu s ILE 278 N -0.44 3.72 0.16 -3.70 1.01 0.24 -0.83 121.20 121.36 1lqu s ILE 278 Ca -0.06 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1lqu s ILE 278 Cb -0.02 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1lqu s ILE 278 CO 0.06 0.51 -0.22 -0.54 0.00 0.00 0.00 174.94 174.75 1lqu s LYS 279 N 0.25 1.34 0.00 2.79 1.02 0.10 -3.85 119.74 121.39 1lqu s LYS 279 Ca -0.04 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1lqu s LYS 279 Cb -0.14 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1lqu s LYS 279 CO 0.03 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1lqu n GLY 280 N 0.53 3.47 3.48 -3.33 0.00 -1.26 -0.58 105.19 107.50 1lqu n GLY 280 Ca -0.15 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.14 3.10 0.00 1.61 2.20 -1.26 -4.48 119.74 118.77 1lqu s LYS 281 Ca 0.00 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1lqu s LYS 281 Cb 0.00 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1lqu s LYS 281 CO 0.00 -0.76 0.00 0.54 -0.36 0.00 0.00 175.35 174.77 1lqu n ARG 282 N 5.38 0.00 -3.75 4.03 1.74 -1.26 -4.90 116.66 117.90 1lqu n ARG 282 Ca -0.09 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1lqu n ARG 282 Cb 0.47 -0.44 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.02 1.63 0.18 5.56 -2.85 -1.26 -4.32 119.74 118.66 1lqu s LYS 283 Ca 0.00 -0.85 -0.32 0.00 -1.00 0.00 0.00 55.97 53.81 1lqu s LYS 283 Cb 0.00 0.59 -0.11 0.00 -2.06 0.00 0.00 37.83 36.25 1lqu s LYS 283 CO 0.00 -0.74 1.69 0.08 0.10 0.00 0.00 175.35 176.48 1lqu s VAL 284 N -3.84 2.30 0.00 1.79 1.01 -0.13 -4.11 120.40 117.42 1lqu s VAL 284 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1lqu s VAL 284 Cb -0.05 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1lqu s VAL 284 CO 0.02 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.51 1lqu n GLU 285 N 4.26 2.59 -3.46 2.72 1.02 0.25 -4.48 120.64 123.53 1lqu n GLU 285 Ca 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1lqu n GLU 285 Cb 0.37 -0.85 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.64 1.27 -0.02 3.49 1.70 -0.83 -1.55 118.95 121.38 1lqu s ARG 286 Ca 0.00 -0.51 0.04 0.00 -0.47 0.00 0.00 55.73 54.78 1lqu s ARG 286 Cb 0.00 0.58 -0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1lqu s ARG 286 CO 0.00 -0.55 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.04 1lqu s ILE 287 N -3.76 1.03 -0.20 4.99 2.07 0.22 -0.72 121.20 124.83 1lqu s ILE 287 Ca 0.02 -0.52 -0.16 0.00 -1.41 0.00 0.00 60.65 58.57 1lqu s ILE 287 Cb -0.01 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 1lqu s ILE 287 CO -0.12 0.30 0.43 -0.69 -1.91 0.00 0.00 174.94 172.95 1lqu s VAL 288 N -0.05 5.18 -0.03 4.00 1.01 -0.01 -0.33 120.40 130.16 1lqu s VAL 288 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1lqu s VAL 288 Cb -0.08 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1lqu s VAL 288 CO 0.00 0.24 -0.08 -0.76 0.00 0.00 0.00 175.10 174.50 1lqu s LEU 289 N 1.37 3.12 0.03 3.92 1.43 0.42 -0.31 118.68 128.66 1lqu s LEU 289 Ca 0.20 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1lqu s LEU 289 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1lqu s LEU 289 CO 0.08 0.32 -0.20 -0.83 0.23 0.00 0.00 176.35 175.95 1lqu s GLY 290 N -1.12 1.52 0.09 -3.19 0.00 0.22 -1.07 107.32 103.77 1lqu s GLY 290 Ca 0.15 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.47 1lqu s GLY 290 CO 0.04 -1.07 0.61 -1.60 0.00 0.00 0.00 173.10 171.09 1lqu s ARG 291 N -1.30 4.28 0.25 2.90 3.52 -1.08 -0.88 118.95 126.64 1lqu s ARG 291 Ca 0.13 0.83 0.10 0.00 -0.13 0.00 0.00 55.73 56.66 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 0.04 0.62 -0.06 -0.80 -0.81 0.00 0.00 175.30 174.29 1lqu s ASN 292 N -1.08 4.33 0.22 -2.12 0.01 0.42 -0.95 114.94 115.77 1lqu s ASN 292 Ca 0.30 -0.68 0.11 0.00 -0.71 0.00 0.00 52.86 51.88 1lqu s ASN 292 Cb -0.20 -0.73 -0.05 0.00 0.41 0.00 0.00 41.25 40.68 1lqu s ASN 292 CO 0.20 0.03 -0.20 -1.61 -1.51 0.00 0.00 177.10 174.01 1lqu s GLU 293 N -3.42 1.65 -0.10 -0.60 2.02 0.25 -4.82 118.70 113.68 1lqu s GLU 293 Ca 0.29 -1.55 -0.18 0.00 0.02 0.00 0.00 54.97 53.55 1lqu s GLU 293 Cb -0.07 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1lqu s GLU 293 CO 0.18 0.38 0.48 -0.51 0.02 0.00 0.00 175.26 175.81 1lqu s LEU 294 N -2.94 4.31 -0.01 1.80 1.43 -1.26 -0.21 118.68 121.80 1lqu s LEU 294 Ca 0.24 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1lqu s LEU 294 Cb -0.07 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 1lqu s LEU 294 CO 0.12 0.05 0.04 0.54 0.23 0.00 0.00 176.35 177.33 1lqu s VAL 295 N 0.36 0.03 0.15 -1.59 0.11 -0.16 -4.94 120.40 114.36 1lqu s VAL 295 Ca 0.26 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 1lqu s VAL 295 Cb -0.15 -0.14 -0.09 0.00 -1.53 0.00 0.00 36.38 34.46 1lqu s VAL 295 CO 0.11 -0.13 1.42 -0.44 -3.33 0.00 0.00 175.10 172.73 1lqu s SER 296 N -0.39 6.77 0.00 3.54 0.01 -1.26 -0.62 113.70 121.74 1lqu s SER 296 Ca -0.04 2.43 0.24 0.00 1.31 0.00 0.00 55.95 59.88 1lqu s SER 296 Cb -0.03 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.79 1lqu s SER 296 CO -0.00 -0.68 1.21 -0.90 0.41 0.00 0.00 173.24 173.29 1lqu n ASP 297 N 3.61 1.95 0.00 2.44 5.68 -1.11 -4.90 116.55 124.23 1lqu n ASP 297 Ca 0.11 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1lqu n ASP 297 Cb 0.41 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 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 1.39 0.63 0.12 6.12 0.00 -1.26 -4.92 105.19 107.27 1lqu n GLY 298 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.81 0.00 1.61 3.41 -1.26 -4.91 113.62 113.27 1lqu n SER 299 Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1lqu n SER 299 Cb 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.44 1.09 3.39 5.00 0.00 -1.26 -5.09 105.19 109.75 1lqu n GLY 300 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.65 1.70 0.01 1.61 1.70 -1.26 -5.07 118.95 116.98 1lqu s ARG 301 Ca 0.00 -1.99 0.01 0.00 -0.47 0.00 0.00 55.73 53.29 1lqu s ARG 301 Cb 0.00 -0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.07 1lqu s ARG 301 CO 0.00 -0.45 0.03 0.14 -1.08 0.00 0.00 175.30 173.94 1lqu s VAL 302 N -3.47 4.32 0.22 4.99 -7.23 -1.26 -2.74 120.40 115.23 1lqu s VAL 302 Ca 0.33 -0.58 0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1lqu s VAL 302 Cb 0.05 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 1lqu s VAL 302 CO 0.17 0.34 -0.16 0.00 -0.31 0.00 0.00 175.10 175.14 1lqu s ALA 303 N -1.15 2.77 0.06 1.32 0.00 0.21 -4.90 121.76 120.07 1lqu s ALA 303 Ca 0.21 -1.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 1lqu s ALA 303 Cb -0.12 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 1lqu s ALA 303 CO 0.12 0.38 0.78 0.00 0.00 0.00 0.00 175.76 177.04 1lqu s ALA 304 N -1.99 3.37 -0.10 0.00 0.00 -1.26 -0.98 121.76 120.79 1lqu s ALA 304 Ca 0.26 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1lqu s ALA 304 Cb -0.07 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1lqu s ALA 304 CO 0.14 0.08 -0.17 0.21 0.00 0.00 0.00 175.76 176.02 1lqu s LYS 305 N -0.13 2.34 0.24 0.00 2.20 0.71 -4.94 119.74 120.15 1lqu s LYS 305 Ca 0.39 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1lqu s LYS 305 Cb -0.21 -1.93 -0.11 0.00 -1.51 0.00 0.00 37.83 34.07 1lqu s LYS 305 CO 0.24 -0.01 1.64 0.34 -0.36 0.00 0.00 175.35 177.19 1lqu s ASP 306 N 0.84 6.42 0.12 1.43 2.15 -1.26 -0.58 116.67 125.78 1lqu s ASP 306 Ca -0.09 2.86 0.24 0.00 0.43 0.00 0.00 52.55 55.99 1lqu s ASP 306 Cb -0.15 -2.61 0.31 0.00 -0.30 0.00 0.00 42.92 40.16 1lqu s ASP 306 CO 0.00 -0.92 1.29 0.71 -0.17 0.00 0.00 175.17 176.09 1lqu h THR 307 N 3.66 0.00 0.00 1.71 1.35 -1.38 -3.46 112.91 114.78 1lqu h THR 307 Ca -0.45 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1lqu h THR 307 Cb 1.21 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1lqu h THR 307 CO 0.88 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1lqu n GLY 308 N 1.33 1.80 3.77 5.82 0.00 -1.26 -5.05 105.19 111.60 1lqu n GLY 308 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.62 4.06 0.06 1.61 2.02 -1.26 -4.96 118.70 119.61 1lqu s GLU 309 Ca 0.00 1.98 0.04 0.00 0.02 0.00 0.00 54.97 57.01 1lqu s GLU 309 Cb 0.00 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1lqu s GLU 309 CO 0.00 -0.36 -0.12 1.03 0.02 0.00 0.00 175.26 175.83 1lqu s ARG 310 N -2.21 0.73 0.02 1.61 1.81 -1.26 -2.62 118.95 117.03 1lqu s ARG 310 Ca 0.56 -0.88 -0.09 0.00 -1.72 0.00 0.00 55.73 53.60 1lqu s ARG 310 Cb -0.34 -0.67 0.00 0.00 -0.45 0.00 0.00 34.95 33.50 1lqu s ARG 310 CO 0.43 0.14 0.17 -1.83 -0.68 0.00 0.00 175.30 173.54 1lqu s GLU 311 N -1.65 0.60 -0.10 3.54 -1.05 -0.23 -4.99 118.70 114.81 1lqu s GLU 311 Ca -0.04 -0.52 0.03 0.00 -0.15 0.00 0.00 54.97 54.29 1lqu s GLU 311 Cb -0.10 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1lqu s GLU 311 CO 0.02 -0.16 -0.19 -2.00 0.95 0.00 0.00 175.26 173.87 1lqu s GLU 312 N -2.01 3.03 -0.17 -4.83 2.12 -1.26 -0.44 118.70 115.14 1lqu s GLU 312 Ca -0.10 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.44 1lqu s GLU 312 Cb -0.04 -2.40 0.03 0.00 0.26 0.00 0.00 34.13 31.98 1lqu s GLU 312 CO -0.01 0.27 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.65 1lqu s LEU 313 N 0.15 1.98 0.36 2.70 2.96 0.56 -4.96 118.68 122.43 1lqu s LEU 313 Ca -0.11 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 52.89 1lqu s LEU 313 Cb -0.16 -1.30 -0.11 0.00 0.50 0.00 0.00 46.19 45.11 1lqu s LEU 313 CO 0.06 -0.05 1.50 -2.65 -1.32 0.00 0.00 176.35 173.89 1lqu n PRO 314 N 4.70 2.65 -3.56 0.98 -0.02 -1.26 -0.61 135.00 137.88 1lqu n PRO 314 Ca -0.18 0.93 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1lqu n PRO 314 Cb 0.49 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1lqu n PRO 314 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lqu s ALA 315 N -0.87 -1.86 -0.10 3.55 0.00 -0.59 -4.85 121.76 117.04 1lqu s ALA 315 Ca 0.56 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.04 1lqu s ALA 315 Cb -0.49 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1lqu s ALA 315 CO 0.60 -0.33 0.29 1.04 0.00 0.00 0.00 175.76 177.36 1lqu n GLN 316 N 0.99 2.96 -3.75 0.00 3.00 -0.44 -3.23 117.38 116.93 1lqu n GLN 316 Ca -0.14 -0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 56.43 1lqu n GLN 316 Cb 0.57 -0.78 -0.14 0.00 0.00 0.00 0.00 30.24 29.89 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 -1.09 0.65 -0.14 1.08 2.96 -1.20 -4.72 118.68 116.21 1lqu s LEU 317 Ca 0.01 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1lqu s LEU 317 Cb 0.01 0.54 0.02 0.00 0.50 0.00 0.00 46.19 47.26 1lqu s LEU 317 CO 0.03 -0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 1lqu s VAL 318 N 1.10 1.58 -0.26 1.68 1.01 0.20 -0.80 120.40 124.91 1lqu s VAL 318 Ca -0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1lqu s VAL 318 Cb -0.10 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1lqu s VAL 318 CO -0.06 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 1lqu s VAL 319 N 1.29 3.08 -0.21 2.92 1.01 0.34 -0.76 120.40 128.07 1lqu s VAL 319 Ca 0.01 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1lqu s VAL 319 Cb -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1lqu s VAL 319 CO -0.07 0.16 0.84 0.00 0.00 0.00 0.00 175.10 176.03 1lqu s ARG 320 N 1.35 4.23 -0.61 2.72 1.70 -0.05 -1.06 118.95 127.24 1lqu s ARG 320 Ca 0.00 0.99 0.05 0.00 -0.47 0.00 0.00 55.73 56.31 1lqu s ARG 320 Cb -0.17 -3.62 0.30 0.00 -0.57 0.00 0.00 34.95 30.90 1lqu s ARG 320 CO -0.03 -0.45 0.88 0.45 -1.08 0.00 0.00 175.30 175.07 1lqu n SER 321 N 5.72 4.24 -1.06 -2.89 2.88 0.11 -0.49 113.62 122.14 1lqu n SER 321 Ca 0.05 -3.59 0.02 0.00 -1.33 0.00 0.00 58.87 54.02 1lqu n SER 321 Cb 0.48 -0.61 0.23 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.19 2.44 0.00 2.46 0.24 -1.25 -4.28 118.33 118.12 1lqu n VAL 322 Ca 0.31 -2.24 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1lqu n VAL 322 Cb 0.40 -0.29 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 -0.80 3.07 3.84 7.63 0.00 -1.26 -4.74 105.19 112.93 1lqu n GLY 323 Ca 0.28 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.66 2.04 -0.22 1.61 1.51 -1.26 -1.17 117.35 118.21 1lqu s TYR 324 Ca 0.00 0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 56.47 1lqu s TYR 324 Cb 0.00 -3.68 0.06 0.00 -0.11 0.00 0.00 41.96 38.23 1lqu s TYR 324 CO 0.00 -2.52 0.57 0.50 -1.11 0.00 0.00 175.55 172.99 1lqu s ARG 325 N -5.58 0.64 0.76 -0.62 3.52 0.48 -4.31 118.95 113.85 1lqu s ARG 325 Ca 0.68 0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 57.01 1lqu s ARG 325 Cb -0.09 0.27 0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1lqu s ARG 325 CO 0.52 -0.10 1.10 0.20 -0.81 0.00 0.00 175.30 176.22 1lqu s GLY 326 N 0.56 1.74 0.05 8.12 0.00 -1.11 -0.85 107.32 115.83 1lqu s GLY 326 Ca -0.02 0.32 0.08 0.00 0.00 0.00 0.00 44.72 45.10 1lqu s GLY 326 CO -0.03 0.67 -0.23 -1.34 0.00 0.00 0.00 173.10 172.18 1lqu s VAL 327 N -2.81 1.85 0.45 1.40 -7.23 -1.26 -4.74 120.40 108.06 1lqu s VAL 327 Ca 0.62 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 1lqu s VAL 327 Cb -0.18 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1lqu s VAL 327 CO 0.54 0.24 1.28 -2.16 -0.31 0.00 0.00 175.10 174.69 1lqu s PRO 328 N -1.26 3.74 -0.21 4.82 0.04 -1.26 -4.98 135.00 135.89 1lqu s PRO 328 Ca 0.09 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1lqu s PRO 328 Cb -0.09 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1lqu s PRO 328 CO 0.02 -0.66 0.09 0.99 0.04 0.00 0.00 177.00 177.48 1lqu s THR 329 N -1.35 4.87 0.13 1.26 2.01 -1.26 -5.06 115.64 116.25 1lqu s THR 329 Ca 0.62 0.00 -0.35 0.00 0.31 0.00 0.00 61.69 62.27 1lqu s THR 329 Cb -0.36 -3.23 -0.16 0.00 0.01 0.00 0.00 72.50 68.77 1lqu s THR 329 CO 0.45 0.42 1.31 -2.65 -0.69 0.00 0.00 174.62 173.46 1lqu n PRO 330 N 3.90 1.33 -0.36 4.92 -0.02 -1.26 -1.84 135.00 141.67 1lqu n PRO 330 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1lqu n PRO 330 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.42 1.12 3.37 -1.23 0.00 -1.26 -4.44 105.19 105.17 1lqu n GLY 331 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 2.40 0.85 0.99 1.43 -0.77 -4.85 118.68 118.74 1lqu s LEU 332 Ca 0.00 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1lqu s LEU 332 Cb 0.00 -1.04 0.10 0.00 0.03 0.00 0.00 46.19 45.28 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 -2.48 1.61 -0.13 1.29 0.04 -1.26 -4.66 135.00 129.40 1lqu s PRO 333 Ca 0.16 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 1lqu s PRO 333 Cb -0.08 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.67 1lqu s PRO 333 CO 0.07 -2.03 0.47 0.12 0.04 0.00 0.00 177.00 175.68 1lqu s PHE 334 N -2.92 -0.48 -0.40 0.56 5.36 -1.26 -4.45 117.98 114.39 1lqu s PHE 334 Ca 0.63 1.08 -0.10 0.00 -0.96 0.00 0.00 56.93 57.58 1lqu s PHE 334 Cb -0.18 0.19 0.06 0.00 -0.34 0.00 0.00 43.02 42.76 1lqu s PHE 334 CO 0.57 -0.32 0.24 0.34 -1.46 0.00 0.00 175.22 174.58 1lqu s ASP 335 N -0.22 5.66 0.47 6.13 -1.08 0.16 -4.84 116.67 122.95 1lqu s ASP 335 Ca -0.04 -1.32 0.14 0.00 -0.52 0.00 0.00 52.55 50.81 1lqu s ASP 335 Cb -0.03 -2.00 1.08 0.00 -1.46 0.00 0.00 42.92 40.51 1lqu s ASP 335 CO 0.02 -0.48 2.05 0.44 0.52 0.00 0.00 175.17 177.73 1lqu h ASP 336 N 8.42 0.05 -0.07 -0.34 3.32 -1.97 0.13 116.42 125.96 1lqu h ASP 336 Ca -0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1lqu h ASP 336 Cb 1.09 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1lqu h ASP 336 CO 0.72 0.14 0.00 1.56 -1.72 0.00 0.00 179.24 179.95 1lqu h GLN 337 N 0.06 0.11 0.00 3.56 7.50 -1.96 -3.31 115.11 121.07 1lqu h GLN 337 Ca 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1lqu h GLN 337 Cb 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1lqu h GLN 337 CO 0.01 0.37 -1.04 -1.13 -1.50 0.00 0.00 178.83 175.54 1lqu n SER 338 N -4.87 0.69 -1.85 1.46 3.41 -1.15 -4.97 113.62 106.34 1lqu n SER 338 Ca -0.07 -0.53 -0.15 0.00 -0.26 0.00 0.00 58.87 57.86 1lqu n SER 338 Cb 0.18 0.93 0.01 0.00 -0.26 0.00 0.00 64.21 65.07 1lqu n SER 338 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqu n GLY 339 N 1.43 -0.19 3.44 5.00 0.00 0.43 -4.69 105.19 110.62 1lqu n GLY 339 Ca 0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.82 1.88 -0.16 2.61 -4.23 -1.20 -2.75 115.64 108.97 1lqu s THR 340 Ca 0.09 -2.19 -0.20 0.00 -1.18 0.00 0.00 61.69 58.21 1lqu s THR 340 Cb -0.04 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 1lqu s THR 340 CO 0.11 -0.34 0.56 -0.63 -0.54 0.00 0.00 174.62 173.78 1lqu s ILE 341 N -2.86 5.10 0.27 2.99 1.01 -0.74 -0.67 121.20 126.30 1lqu s ILE 341 Ca 0.29 1.08 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 1lqu s ILE 341 Cb 0.02 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1lqu s ILE 341 CO 0.12 0.21 1.56 -2.65 0.00 0.00 0.00 174.94 174.18 1lqu n PRO 342 N 4.44 2.54 -3.60 2.79 -0.02 -1.26 -4.82 135.00 135.07 1lqu n PRO 342 Ca -0.04 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1lqu n PRO 342 Cb 0.51 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 1lqu n PRO 342 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lqu s ASN 343 N 0.51 -0.29 -0.27 2.55 2.20 -1.26 -1.18 114.94 117.20 1lqu s ASN 343 Ca 0.66 -0.27 0.02 0.00 -0.94 0.00 0.00 52.86 52.34 1lqu s ASN 343 Cb -0.54 0.49 0.07 0.00 -2.00 0.00 0.00 41.25 39.28 1lqu s ASN 343 CO 0.47 -0.87 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.03 1lqu s VAL 344 N -3.80 1.91 -1.78 3.54 1.01 0.60 -4.72 120.40 117.15 1lqu s VAL 344 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1lqu s VAL 344 Cb 0.01 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1lqu s VAL 344 CO -0.12 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1lqu n GLY 345 N 4.49 -0.43 1.31 4.51 0.00 -1.26 -1.62 105.19 112.19 1lqu n GLY 345 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.01 2.27 3.69 -0.02 0.00 -1.26 -4.66 105.19 104.21 1lqu n GLY 346 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.63 4.37 0.33 1.61 3.52 -0.64 -0.40 118.95 127.12 1lqu s ARG 347 Ca 0.00 0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 56.29 1lqu s ARG 347 Cb 0.00 -3.51 -0.12 0.00 -1.56 0.00 0.00 34.95 29.76 1lqu s ARG 347 CO 0.00 -0.14 1.46 -0.89 -0.81 0.00 0.00 175.30 174.92 1lqu n ILE 348 N 4.28 1.62 -1.64 4.11 5.41 0.51 -0.29 119.36 133.35 1lqu n ILE 348 Ca 0.02 -0.40 -0.48 0.00 1.00 0.00 0.00 62.75 62.88 1lqu n ILE 348 Cb 0.50 -1.82 -0.05 0.00 -0.71 0.00 0.00 39.64 37.56 1lqu n ILE 348 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1lqu n ASN 349 N 1.18 2.49 0.00 4.38 2.85 -0.32 -1.35 115.26 124.49 1lqu n ASN 349 Ca 0.05 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1lqu n ASN 349 Cb 0.37 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.06 1lqu n ASN 349 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lqu n GLY 350 N 3.03 1.24 3.54 8.20 0.00 -1.26 -4.90 105.19 115.04 1lqu n GLY 350 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.13 4.41 0.08 1.61 0.15 -0.46 -5.02 113.70 111.35 1lqu s SER 351 Ca 0.00 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.81 1lqu s SER 351 Cb 0.00 -1.04 0.60 0.00 -1.71 0.00 0.00 66.02 63.87 1lqu s SER 351 CO 0.00 0.35 1.51 -0.81 1.20 0.00 0.00 173.24 175.49 1lqu n PRO 352 N 2.22 0.16 -0.46 5.44 -0.04 -1.26 -4.55 135.00 136.50 1lqu n PRO 352 Ca -0.18 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1lqu n PRO 352 Cb 0.53 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -4.33 3.54 6.94 -1.26 -5.00 115.26 113.28 1lqu n ASN 353 Ca 0.05 -1.42 -0.31 0.00 -0.02 0.00 0.00 54.58 52.88 1lqu n ASN 353 Cb 0.39 -0.08 -0.16 0.00 -2.36 0.00 0.00 39.78 37.57 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 2.24 0.21 -3.83 2.02 -1.26 -1.20 118.70 116.88 1lqu s GLU 354 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1lqu s GLU 354 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 1lqu s GLU 354 CO 0.00 0.54 0.04 0.71 0.02 0.00 0.00 175.26 176.58 1lqu s TYR 355 N -0.56 1.33 0.02 1.61 1.51 0.12 -0.36 117.35 121.02 1lqu s TYR 355 Ca 0.08 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.07 1lqu s TYR 355 Cb -0.11 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1lqu s TYR 355 CO -0.00 -0.27 -0.08 0.14 -1.11 0.00 0.00 175.55 174.23 1lqu s VAL 356 N -3.71 0.58 0.13 0.71 -7.23 0.47 -0.07 120.40 111.28 1lqu s VAL 356 Ca 0.30 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 1lqu s VAL 356 Cb 0.07 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1lqu s VAL 356 CO 0.08 -0.09 0.04 0.68 -0.31 0.00 0.00 175.10 175.50 1lqu s VAL 357 N -0.72 0.21 0.00 1.32 -7.23 -0.64 -4.72 120.40 108.62 1lqu s VAL 357 Ca -0.03 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1lqu s VAL 357 Cb -0.06 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1lqu s VAL 357 CO 0.00 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1lqu n GLY 358 N -0.11 -0.62 0.28 2.32 0.00 -1.26 -3.98 105.19 101.83 1lqu n GLY 358 Ca -0.06 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 0.90 115.95 120.62 1lqu h TRP 359 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1lqu h TRP 359 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1lqu h TRP 359 CO 0.00 0.00 -0.09 0.97 -3.56 0.00 0.00 178.44 175.76 1lqu h ILE 360 N 0.00 0.28 0.00 1.49 6.09 -1.69 -0.75 117.51 122.93 1lqu h ILE 360 Ca 0.01 -0.67 -0.30 0.00 -1.37 0.00 0.00 64.86 62.53 1lqu h ILE 360 Cb 0.04 1.52 -0.04 0.00 0.47 0.00 0.00 36.82 38.81 1lqu h ILE 360 CO -0.00 0.09 -1.64 1.17 -3.07 0.00 0.00 178.15 174.71 1lqu n LYS 361 N -3.29 0.57 0.07 2.19 4.81 -0.32 -1.80 118.16 120.40 1lqu n LYS 361 Ca -0.00 0.48 0.12 0.00 -0.87 0.00 0.00 58.31 58.04 1lqu n LYS 361 Cb 0.31 -1.67 0.19 0.00 0.02 0.00 0.00 35.03 33.88 1lqu n LYS 361 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1lqu h ARG 362 N -1.00 0.00 0.00 1.64 3.08 -0.90 -3.45 114.38 113.75 1lqu h ARG 362 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1lqu h ARG 362 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1lqu h ARG 362 CO -0.27 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.04 1lqu n GLY 363 N 1.33 -0.64 2.44 0.04 0.00 -0.29 -4.77 105.19 103.30 1lqu n GLY 363 Ca 0.03 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.52 4.24 -4.01 1.61 -0.04 -1.26 -4.42 135.00 130.61 1lqu n PRO 364 Ca 0.00 -3.03 -0.09 0.00 -0.04 0.00 0.00 63.50 60.34 1lqu n PRO 364 Cb 0.00 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 30.64 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 0.07 0.16 0.00 0.52 -4.23 -1.26 -4.74 115.64 106.16 1lqu s THR 365 Ca 0.59 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1lqu s THR 365 Cb 0.18 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.51 1lqu s THR 365 CO -0.08 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1lqu n GLY 366 N 1.32 2.69 3.59 3.99 0.00 -1.26 -4.97 105.19 110.56 1lqu n GLY 366 Ca -0.22 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.44 2.09 0.24 1.61 -7.23 -1.26 -4.86 120.40 109.55 1lqu s VAL 367 Ca 0.00 0.03 -0.07 0.00 -1.81 0.00 0.00 61.98 60.13 1lqu s VAL 367 Cb 0.00 -2.31 0.24 0.00 0.56 0.00 0.00 36.38 34.87 1lqu s VAL 367 CO 0.00 -0.04 1.66 0.40 -0.31 0.00 0.00 175.10 176.82 1lqu h ILE 368 N -2.22 0.45 0.00 -0.62 2.04 -2.01 -0.78 117.51 114.37 1lqu h ILE 368 Ca -0.57 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1lqu h ILE 368 Cb 1.33 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1lqu h ILE 368 CO 0.54 0.03 0.00 1.23 0.00 0.00 0.00 178.15 179.95 1lqu h GLY 369 N 0.17 0.00 2.00 5.37 0.00 -2.01 -2.51 103.07 106.09 1lqu h GLY 369 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1lqu h GLY 369 CO -0.56 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.68 1lqu n THR 370 N -2.52 1.02 0.68 4.70 -2.24 -0.30 -2.22 114.28 113.39 1lqu n THR 370 Ca 0.01 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 1lqu n THR 370 Cb 0.24 -1.19 0.34 0.00 -2.10 0.00 0.00 70.33 67.62 1lqu n THR 370 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lqu n ASN 371 N -1.90 0.66 0.09 3.42 3.02 -0.94 -4.48 115.26 115.13 1lqu n ASN 371 Ca 0.02 0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1lqu n ASN 371 Cb 0.17 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.64 3.52 3.64 -1.65 -2.19 116.57 118.97 1lqu h LYS 372 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1lqu h LYS 372 Cb 0.70 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1lqu h LYS 372 CO 0.00 0.11 0.17 -0.22 -2.27 0.00 0.00 179.45 177.24 1lqu h LYS 373 N -0.85 1.02 -0.63 1.90 1.63 -1.78 -0.91 116.57 116.94 1lqu h LYS 373 Ca -0.03 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.47 1lqu h LYS 373 Cb 0.51 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1lqu h LYS 373 CO 0.05 0.91 0.15 0.22 -3.45 0.00 0.00 179.45 177.33 1lqu h ASP 374 N 0.94 0.93 -0.66 4.20 1.82 -1.78 -0.09 116.42 121.78 1lqu h ASP 374 Ca 0.20 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1lqu h ASP 374 Cb 0.34 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1lqu h ASP 374 CO -0.00 0.91 0.34 0.00 -1.61 0.00 0.00 179.24 178.88 1lqu h ALA 375 N 1.21 0.85 -0.65 -0.78 0.00 -0.95 -1.72 119.26 117.21 1lqu h ALA 375 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lqu h ALA 375 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1lqu h ALA 375 CO 0.00 0.39 0.42 0.37 0.00 0.00 0.00 179.25 180.43 1lqu h GLN 376 N 0.91 0.87 -0.62 0.00 5.75 -0.62 -0.45 115.11 120.95 1lqu h GLN 376 Ca 0.23 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1lqu h GLN 376 Cb 0.08 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1lqu h GLN 376 CO -0.03 0.59 0.09 -0.44 -2.65 0.00 0.00 178.83 176.39 1lqu h ASP 377 N 0.89 0.99 -0.64 -0.69 3.32 -0.73 -0.20 116.42 119.35 1lqu h ASP 377 Ca 0.24 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1lqu h ASP 377 Cb -0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 1lqu h ASP 377 CO -0.05 1.00 0.05 0.74 -1.72 0.00 0.00 179.24 179.26 1lqu h THR 378 N 0.93 1.27 -0.83 0.35 2.02 -1.08 -2.17 112.91 113.39 1lqu h THR 378 Ca 0.19 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1lqu h THR 378 Cb 0.44 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1lqu h THR 378 CO 0.01 0.41 0.36 0.58 0.37 0.00 0.00 175.52 177.26 1lqu h VAL 379 N 1.01 1.26 -0.41 3.16 2.07 -0.80 -0.24 116.25 122.31 1lqu h VAL 379 Ca 0.19 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1lqu h VAL 379 Cb 0.51 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1lqu h VAL 379 CO 0.02 0.33 0.16 0.44 0.02 0.00 0.00 177.57 178.54 1lqu h ASP 380 N 1.20 0.19 -0.40 0.57 3.32 -0.70 0.19 116.42 120.79 1lqu h ASP 380 Ca 0.28 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1lqu h ASP 380 Cb 0.17 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1lqu h ASP 380 CO -0.03 0.15 0.24 0.74 -1.72 0.00 0.00 179.24 178.62 1lqu h THR 381 N 0.34 1.13 -0.33 0.35 2.02 -0.94 -0.92 112.91 114.55 1lqu h THR 381 Ca 0.19 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1lqu h THR 381 Cb 0.15 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1lqu h THR 381 CO -0.17 0.14 -0.01 0.25 0.37 0.00 0.00 175.52 176.09 1lqu h LEU 382 N 0.53 -0.16 -0.74 2.58 6.46 -0.57 -0.62 115.31 122.79 1lqu h LEU 382 Ca 0.14 0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1lqu h LEU 382 Cb 0.01 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1lqu h LEU 382 CO -0.03 -0.04 -0.04 0.40 -0.62 0.00 0.00 178.44 178.11 1lqu h ILE 383 N 0.08 1.26 -0.44 4.05 1.08 -0.74 -1.11 117.51 121.69 1lqu h ILE 383 Ca 0.16 -1.14 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1lqu h ILE 383 Cb 0.22 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1lqu h ILE 383 CO -0.28 0.40 0.29 0.50 -0.69 0.00 0.00 178.15 178.37 1lqu h LYS 384 N 0.84 0.58 -0.77 2.37 3.64 -0.83 -1.07 116.57 121.33 1lqu h LYS 384 Ca 0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1lqu h LYS 384 Cb 0.55 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1lqu h LYS 384 CO 0.03 0.38 0.27 -0.91 -2.27 0.00 0.00 179.45 176.96 1lqu h ASN 385 N 0.59 1.09 -0.66 4.20 -0.26 -0.72 -1.28 115.58 118.55 1lqu h ASN 385 Ca 0.16 -0.19 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1lqu h ASN 385 Cb -0.06 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 36.89 1lqu h ASN 385 CO -0.04 0.99 0.31 -0.07 -1.06 0.00 0.00 177.43 177.56 1lqu h LEU 386 N 1.13 0.87 -0.95 1.61 3.38 -0.90 -1.61 115.31 118.85 1lqu h LEU 386 Ca 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1lqu h LEU 386 Cb 0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1lqu h LEU 386 CO -0.01 0.76 0.42 1.23 0.09 0.00 0.00 178.44 180.92 1lqu h GLY 387 N 0.91 1.25 1.03 0.83 0.00 -0.75 0.44 103.07 106.78 1lqu h GLY 387 Ca 0.23 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1lqu h GLY 387 CO -0.03 0.57 0.12 3.43 0.00 0.00 0.00 176.54 180.63 1lqu h ASN 388 N 1.16 0.95 -0.60 0.19 -0.26 -1.04 -0.48 115.58 115.50 1lqu h ASN 388 Ca 0.29 -0.25 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1lqu h ASN 388 Cb 0.08 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 1lqu h ASN 388 CO -0.04 0.95 0.23 0.00 -1.06 0.00 0.00 177.43 177.51 1lqu h ALA 389 N 1.03 0.78 -0.44 -0.83 0.00 -0.77 -1.65 119.26 117.38 1lqu h ALA 389 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1lqu h ALA 389 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1lqu h ALA 389 CO 0.01 0.41 0.23 -0.22 0.00 0.00 0.00 179.25 179.68 1lqu h LYS 390 N 0.84 0.62 -0.08 0.00 3.64 -0.56 0.12 116.57 121.15 1lqu h LYS 390 Ca 0.20 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1lqu h LYS 390 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1lqu h LYS 390 CO -0.01 0.51 -0.20 1.49 -2.27 0.00 0.00 179.45 178.97 1lqu h GLU 391 N 0.57 0.14 -0.08 1.90 4.57 -0.89 -1.52 114.58 119.27 1lqu h GLU 391 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1lqu h GLU 391 Cb 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1lqu h GLU 391 CO -0.02 0.34 0.00 0.41 -1.18 0.00 0.00 179.01 178.56 1lqu n GLY 392 N -0.81 -0.25 3.73 1.92 0.00 -0.64 -4.92 105.19 104.22 1lqu n GLY 392 Ca -0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.15 -1.32 -0.10 4.61 0.00 -0.57 -4.91 120.51 118.07 1lqu n ALA 393 Ca 0.16 0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1lqu n ALA 393 Cb 0.23 -4.99 0.10 0.00 0.00 0.00 0.00 19.45 14.79 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 -4.85 2.73 -2.17 0.00 1.02 0.32 -5.02 120.64 112.67 1lqu n GLU 394 Ca 0.01 -1.83 -0.33 0.00 -0.02 0.00 0.00 57.16 55.00 1lqu n GLU 394 Cb 0.55 -1.19 -0.01 0.00 -0.02 0.00 0.00 31.44 30.78 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 -4.05 3.38 -0.25 0.00 1.02 -1.26 -4.96 119.74 113.62 1lqu s LYS 396 Ca 0.62 2.08 -0.20 0.00 0.02 0.00 0.00 55.97 58.49 1lqu s LYS 396 Cb -0.14 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1lqu s LYS 396 CO 0.35 -0.95 0.62 -1.12 -0.92 0.00 0.00 175.35 173.33 1lqu s SER 397 N -1.08 6.58 0.04 2.83 0.01 -1.26 -5.04 113.70 115.78 1lqu s SER 397 Ca 0.68 0.71 0.09 0.00 1.31 0.00 0.00 55.95 58.74 1lqu s SER 397 Cb -0.36 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1lqu s SER 397 CO 0.43 -0.36 -0.25 -0.36 0.41 0.00 0.00 173.24 173.11 1lqu s PHE 398 N 2.45 2.24 0.00 2.43 0.08 -1.26 -5.18 117.98 118.73 1lqu s PHE 398 Ca 0.26 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1lqu s PHE 398 Cb -0.16 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1lqu s PHE 398 CO 0.09 0.12 0.00 -0.35 -0.10 0.00 0.00 175.22 174.97 1lqu n PRO 399 N 1.79 0.00 0.00 0.24 -0.05 -1.26 -4.94 135.00 130.79 1lqu n PRO 399 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.28 1lqu n PRO 399 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 1lqu n PRO 399 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1lqu n ASP 401 N 0.00 0.00 -0.27 3.54 5.75 -1.26 -4.77 116.55 119.55 1lqu n ASP 401 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1lqu n ASP 401 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.91 -0.67 2.11 2.76 -1.99 -2.02 115.15 116.25 1lqu h HIS 402 Ca 0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1lqu h HIS 402 Cb 0.00 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.63 1lqu h HIS 402 CO 0.00 0.41 0.44 0.00 -1.30 0.00 0.00 177.93 177.48 1lqu h ALA 403 N 1.57 0.85 -0.57 5.26 0.00 -2.00 0.51 119.26 124.89 1lqu h ALA 403 Ca 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1lqu h ALA 403 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1lqu h ALA 403 CO -0.17 0.25 -0.05 -0.44 0.00 0.00 0.00 179.25 178.84 1lqu h ASP 404 N 0.88 1.03 -0.45 0.00 3.32 -1.82 -2.65 116.42 116.73 1lqu h ASP 404 Ca 0.25 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 1lqu h ASP 404 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1lqu h ASP 404 CO -0.07 1.11 -0.27 1.56 -1.72 0.00 0.00 179.24 179.86 1lqu h GLN 405 N 0.93 0.99 -0.18 3.56 1.08 -0.79 -1.08 115.11 119.61 1lqu h GLN 405 Ca 0.15 -0.45 -0.11 0.00 -1.45 0.00 0.00 58.65 56.79 1lqu h GLN 405 Cb 0.62 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1lqu h GLN 405 CO 0.04 1.13 -0.37 0.28 -0.95 0.00 0.00 178.83 178.96 1lqu h VAL 406 N 0.83 1.30 -0.63 -0.54 2.07 -0.91 -1.07 116.25 117.30 1lqu h VAL 406 Ca 0.09 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 1lqu h VAL 406 Cb 0.86 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1lqu h VAL 406 CO 0.08 0.45 0.10 0.00 0.02 0.00 0.00 177.57 178.21 1lqu h ALA 407 N 1.29 0.98 -0.61 1.67 0.00 -1.27 -0.98 119.26 120.34 1lqu h ALA 407 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1lqu h ALA 407 Cb 0.80 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1lqu h ALA 407 CO 0.06 0.64 0.15 -0.44 0.00 0.00 0.00 179.25 179.67 1lqu h ASP 408 N 0.97 0.88 -0.24 0.00 3.32 -0.76 -0.97 116.42 119.62 1lqu h ASP 408 Ca 0.19 -0.16 -0.01 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 0.85 0.12 -0.25 -1.72 0.00 0.00 179.24 178.25 1lqu h TRP 409 N 0.90 0.34 -0.93 4.55 7.01 -0.83 -0.87 115.95 126.12 1lqu h TRP 409 Ca 0.20 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1lqu h TRP 409 Cb 0.31 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.22 1lqu h TRP 409 CO 0.02 0.32 0.61 -0.07 -2.79 0.00 0.00 178.44 176.54 1lqu h LEU 410 N 0.26 1.05 -1.01 0.65 3.38 -0.88 -1.64 115.31 117.12 1lqu h LEU 410 Ca 0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1lqu h LEU 410 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1lqu h LEU 410 CO -0.01 0.74 -0.36 0.00 0.09 0.00 0.00 178.44 178.91 1lqu h ALA 411 N 1.36 1.17 -0.49 1.53 0.00 -0.91 0.59 119.26 122.51 1lqu h ALA 411 Ca 0.35 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1lqu h ALA 411 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lqu h ALA 411 CO -0.09 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 1lqu h ALA 412 N 1.41 0.86 0.00 0.00 0.00 -0.57 -2.31 119.26 118.65 1lqu h ALA 412 Ca 0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1lqu h ALA 412 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1lqu h ALA 412 CO 0.06 0.65 -0.63 0.00 0.00 0.00 0.00 179.25 179.33 1lqu h ARG 413 N 0.82 0.00 -2.36 0.00 2.47 -0.91 -3.40 114.38 111.00 1lqu h ARG 413 Ca 0.13 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.32 1lqu h ARG 413 Cb 0.65 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.61 1lqu h ARG 413 CO 0.05 0.63 -0.84 -1.14 0.56 0.00 0.00 179.97 179.22 1lqu s GLN 414 N -3.15 0.66 0.64 0.04 2.00 0.16 -4.91 119.66 115.11 1lqu s GLN 414 Ca 0.01 -1.41 0.42 0.00 -2.00 0.00 0.00 55.36 52.38 1lqu s GLN 414 Cb 0.10 -1.17 2.20 0.00 0.80 0.00 0.00 33.01 34.94 1lqu s GLN 414 CO 0.75 -1.25 2.30 -1.35 -0.50 0.00 0.00 175.29 175.24 1lqu h PRO 415 N 6.64 0.00 -0.91 1.67 0.11 -1.64 -2.39 132.00 135.49 1lqu h PRO 415 Ca 0.11 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.64 1lqu h PRO 415 Cb 0.98 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.79 1lqu h PRO 415 CO 0.27 0.00 0.54 1.63 -0.21 0.00 0.00 178.00 180.23 1lqu n LYS 416 N -3.15 2.60 -1.60 1.05 5.02 -1.26 -5.00 118.16 115.82 1lqu n LYS 416 Ca -0.02 -3.31 -0.43 0.00 -2.02 0.00 0.00 58.31 52.53 1lqu n LYS 416 Cb 0.12 -2.22 -0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1lqu n LYS 416 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1lqu n LEU 417 N -0.97 2.17 -4.20 -0.35 4.77 -0.90 -4.81 117.00 112.70 1lqu n LEU 417 Ca 0.57 1.11 -0.38 0.00 -0.03 0.00 0.00 56.01 57.28 1lqu n LEU 417 Cb 0.99 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 1lqu n LEU 417 CO 0.65 -1.45 -0.16 -0.69 -1.33 0.00 0.00 177.39 174.41 1lqu s VAL 418 N -1.18 3.73 0.92 4.08 1.01 -0.18 -4.93 120.40 123.85 1lqu s VAL 418 Ca 0.60 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1lqu s VAL 418 Cb -0.62 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 32.55 1lqu s VAL 418 CO 0.59 -0.52 1.19 0.42 0.00 0.00 0.00 175.10 176.77 1lqu s THR 419 N 1.30 1.96 0.27 3.92 -4.23 -1.26 -0.35 115.64 117.25 1lqu s THR 419 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1lqu s THR 419 Cb -0.23 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1lqu s THR 419 CO -0.01 0.00 1.86 0.28 -0.54 0.00 0.00 174.62 176.21 1lqu h SER 420 N -1.52 0.98 -0.83 3.99 0.02 -1.98 -0.01 113.55 114.19 1lqu h SER 420 Ca -0.47 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1lqu h SER 420 Cb 1.31 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1lqu h SER 420 CO 0.55 0.57 0.48 0.00 -1.14 0.00 0.00 176.83 177.30 1lqu h ALA 421 N 1.50 1.06 -0.30 3.77 0.00 -1.93 0.74 119.26 124.10 1lqu h ALA 421 Ca 0.47 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1lqu h ALA 421 Cb 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1lqu h ALA 421 CO -0.22 0.54 -0.43 0.45 0.00 0.00 0.00 179.25 179.59 1lqu h HIS 422 N 1.15 1.02 -0.78 0.00 -0.00 -1.65 -2.94 115.15 111.94 1lqu h HIS 422 Ca 0.30 -0.34 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1lqu h HIS 422 Cb -0.01 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.16 1lqu h HIS 422 CO 0.00 1.14 0.48 2.35 -0.00 0.00 0.00 177.93 181.90 1lqu h TRP 423 N 0.60 1.01 -0.26 2.45 2.91 -0.71 -1.89 115.95 120.07 1lqu h TRP 423 Ca 0.03 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1lqu h TRP 423 Cb 1.02 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1lqu h TRP 423 CO 0.07 0.67 0.07 1.96 -1.03 0.00 0.00 178.44 180.18 1lqu h GLN 424 N 1.07 0.36 -0.18 2.65 4.20 -0.69 0.15 115.11 122.68 1lqu h GLN 424 Ca 0.28 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.79 1lqu h GLN 424 Cb -0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1lqu h GLN 424 CO -0.05 0.34 -0.50 0.28 -0.67 0.00 0.00 178.83 178.22 1lqu h VAL 425 N 0.36 1.32 -0.23 -0.54 2.07 -1.25 -1.78 116.25 116.20 1lqu h VAL 425 Ca 0.09 -1.75 0.04 0.00 0.82 0.00 0.00 66.70 65.91 1lqu h VAL 425 Cb 0.14 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1lqu h VAL 425 CO -0.00 0.54 -0.04 0.40 0.02 0.00 0.00 177.57 178.49 1lqu h ILE 426 N 0.34 0.79 0.20 4.57 2.04 -0.58 0.38 117.51 125.26 1lqu h ILE 426 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1lqu h ILE 426 Cb 1.12 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1lqu h ILE 426 CO 0.11 0.00 -0.13 -0.78 0.00 0.00 0.00 178.15 177.35 1lqu h ASP 427 N 0.02 -0.33 -0.83 1.72 3.58 -0.73 -0.11 116.42 119.74 1lqu h ASP 427 Ca 0.11 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1lqu h ASP 427 Cb 0.16 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1lqu h ASP 427 CO -0.22 -0.21 0.42 0.00 -2.88 0.00 0.00 179.24 176.35 1lqu h ALA 428 N 0.45 1.17 -0.05 -0.78 0.00 -1.15 -1.45 119.26 117.45 1lqu h ALA 428 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1lqu h ALA 428 Cb 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lqu h ALA 428 CO 0.01 0.64 0.03 0.35 0.00 0.00 0.00 179.25 180.29 1lqu h PHE 429 N 1.18 0.07 -0.80 0.00 3.57 -0.66 -0.82 116.94 119.48 1lqu h PHE 429 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1lqu h PHE 429 Cb 0.08 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1lqu h PHE 429 CO 0.01 0.12 0.48 0.93 -2.23 0.00 0.00 178.31 177.62 1lqu h GLU 430 N 0.00 1.10 -0.35 1.11 5.08 -0.72 0.69 114.58 121.48 1lqu h GLU 430 Ca 0.02 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1lqu h GLU 430 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1lqu h GLU 430 CO -0.00 0.78 0.04 0.00 -1.00 0.00 0.00 179.01 178.83 1lqu h ARG 431 N 1.10 0.59 -0.56 2.33 3.08 -1.20 -1.08 114.38 118.65 1lqu h ARG 431 Ca 0.29 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1lqu h ARG 431 Cb -0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1lqu h ARG 431 CO -0.05 0.68 0.26 0.00 -1.07 0.00 0.00 179.97 179.78 1lqu h ALA 432 N 0.89 1.41 0.00 0.04 0.00 -0.70 -1.98 119.26 118.92 1lqu h ALA 432 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1lqu h ALA 432 Cb 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1lqu h ALA 432 CO 0.01 0.46 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 1lqu h ALA 433 N 1.50 1.72 0.00 0.00 0.00 -0.62 -2.85 119.26 119.01 1lqu h ALA 433 Ca 0.19 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1lqu h ALA 433 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1lqu h ALA 433 CO -0.02 0.11 -1.31 0.78 0.00 0.00 0.00 179.25 178.81 1lqu h GLY 434 N 0.31 0.00 0.39 0.00 0.00 -1.15 -3.40 103.07 99.23 1lqu h GLY 434 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1lqu h GLY 434 CO 0.01 0.00 0.22 -2.09 0.00 0.00 0.00 176.54 174.68 1lqu h GLU 435 N 0.00 0.39 0.00 4.80 4.81 -1.23 -0.45 114.58 122.91 1lqu h GLU 435 Ca -0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1lqu h GLU 435 Cb 1.81 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.11 1lqu h GLU 435 CO 0.09 0.26 0.00 -1.35 -0.73 0.00 0.00 179.01 177.28 1lqu h PRO 436 N 0.40 0.00 -0.39 0.92 0.11 -1.77 -1.61 132.00 129.67 1lqu h PRO 436 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1lqu h PRO 436 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1lqu h PRO 436 CO -0.30 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.21 1lqu n HIS 437 N -2.82 0.99 -3.24 0.65 8.25 -0.65 -4.98 115.22 113.43 1lqu n HIS 437 Ca -0.01 -0.70 -0.16 0.00 -0.26 0.00 0.00 57.72 56.59 1lqu n HIS 437 Cb 0.16 -0.23 0.06 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 0.21 -0.14 3.31 -1.41 0.00 -0.61 -4.84 105.19 101.70 1lqu n GLY 438 Ca 0.20 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.73 1.22 0.35 1.61 0.52 -0.27 -4.69 118.95 111.95 1lqu s ARG 439 Ca 0.33 -1.18 0.13 0.00 -0.52 0.00 0.00 55.73 54.49 1lqu s ARG 439 Cb -0.14 -1.52 0.63 0.00 0.52 0.00 0.00 34.95 34.44 1lqu s ARG 439 CO 0.53 0.36 1.76 -1.00 0.02 0.00 0.00 175.30 176.97 1lqu h PRO 440 N 4.12 0.00 -2.36 3.54 0.13 -1.84 -3.15 132.00 132.44 1lqu h PRO 440 Ca -0.47 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1lqu h PRO 440 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1lqu h PRO 440 CO 0.40 0.44 0.46 -0.98 -0.23 0.00 0.00 178.00 178.09 1lqu s ARG 441 N -3.95 0.88 -0.24 0.86 1.70 -1.26 -4.38 118.95 112.54 1lqu s ARG 441 Ca -0.02 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1lqu s ARG 441 Cb 0.13 0.40 0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1lqu s ARG 441 CO 0.73 -0.38 -0.11 0.08 -1.08 0.00 0.00 175.30 174.54 1lqu s VAL 442 N -3.19 2.38 0.31 4.99 1.01 -0.43 -4.28 120.40 121.19 1lqu s VAL 442 Ca 0.05 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.43 1lqu s VAL 442 Cb -0.01 -2.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1lqu s VAL 442 CO -0.09 0.14 1.03 -0.54 0.00 0.00 0.00 175.10 175.63 1lqu s LYS 443 N 1.21 4.55 -0.26 2.72 1.02 -1.26 -4.56 119.74 123.16 1lqu s LYS 443 Ca -0.03 1.58 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 1lqu s LYS 443 Cb -0.18 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1lqu s LYS 443 CO -0.06 0.19 1.06 -0.51 -0.92 0.00 0.00 175.35 175.11 1lqu s LEU 444 N -1.81 4.05 0.00 3.17 1.43 -1.26 -4.86 118.68 119.40 1lqu s LEU 444 Ca 0.48 1.29 0.23 0.00 -1.03 0.00 0.00 54.13 55.11 1lqu s LEU 444 Cb -0.26 -3.54 0.43 0.00 0.03 0.00 0.00 46.19 42.85 1lqu s LEU 444 CO 0.33 -0.74 1.40 0.00 0.23 0.00 0.00 176.35 177.56 1lqu n ALA 445 N 6.51 2.45 -2.13 4.21 0.00 -1.26 -4.73 120.51 125.56 1lqu n ALA 445 Ca 0.12 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 1lqu n ALA 445 Cb 0.46 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.66 0.82 0.18 0.00 1.04 -1.26 -3.97 113.70 108.84 1lqu s SER 446 Ca 0.35 -1.01 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 1lqu s SER 446 Cb 0.21 0.15 0.13 0.00 0.10 0.00 0.00 66.02 66.61 1lqu s SER 446 CO 0.31 -0.53 1.81 0.25 0.98 0.00 0.00 173.24 176.05 1lqu h LEU 447 N 3.05 0.49 -0.72 2.42 5.85 -1.91 -1.11 115.31 123.38 1lqu h LEU 447 Ca -0.35 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1lqu h LEU 447 Cb 1.15 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1lqu h LEU 447 CO 0.65 0.34 0.46 0.00 -0.34 0.00 0.00 178.44 179.55 1lqu h ALA 448 N 1.26 0.95 -0.36 1.25 0.00 -1.99 0.41 119.26 120.77 1lqu h ALA 448 Ca 0.23 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1lqu h ALA 448 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1lqu h ALA 448 CO -0.12 0.25 -0.30 0.93 0.00 0.00 0.00 179.25 180.01 1lqu h GLU 449 N 0.90 0.84 -0.51 0.00 4.39 -1.87 -0.22 114.58 118.10 1lqu h GLU 449 Ca 0.29 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1lqu h GLU 449 Cb 0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1lqu h GLU 449 CO -0.11 1.06 0.29 -0.07 -1.16 0.00 0.00 179.01 179.03 1lqu h LEU 450 N 0.63 0.47 -0.62 1.33 3.38 -0.76 -2.61 115.31 117.12 1lqu h LEU 450 Ca 0.06 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1lqu h LEU 450 Cb 0.88 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1lqu h LEU 450 CO 0.08 0.33 -0.66 -0.07 0.09 0.00 0.00 178.44 178.21 1lqu h LEU 451 N 0.58 0.16 -0.59 1.67 3.38 -0.84 0.42 115.31 120.10 1lqu h LEU 451 Ca 0.21 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1lqu h LEU 451 Cb 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1lqu h LEU 451 CO -0.10 0.77 0.34 -0.09 0.09 0.00 0.00 178.44 179.45 1lqu h ARG 452 N 0.10 0.64 0.04 1.13 2.43 -0.72 0.54 114.38 118.54 1lqu h ARG 452 Ca -0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1lqu h ARG 452 Cb 1.17 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1lqu h ARG 452 CO 0.10 0.42 -0.30 0.82 -1.51 0.00 0.00 179.97 179.49 1lqu h ILE 453 N 0.66 1.65 -0.30 1.20 1.08 -1.43 -3.03 117.51 117.34 1lqu h ILE 453 Ca 0.25 -2.30 -0.11 0.00 -0.39 0.00 0.00 64.86 62.31 1lqu h ILE 453 Cb 0.08 3.18 -0.01 0.00 -3.07 0.00 0.00 36.82 37.00 1lqu h ILE 453 CO -0.13 0.62 -0.25 1.23 -0.69 0.00 0.00 178.15 178.93 1lqu h GLY 454 N -0.69 0.64 -2.24 5.37 0.00 -0.79 -2.94 103.07 102.42 1lqu h GLY 454 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1lqu h GLY 454 CO 0.06 0.49 0.00 1.04 0.00 0.00 0.00 176.54 178.13 1lqu n LEU 455 N -4.11 3.47 -0.35 3.11 4.77 0.17 -4.66 117.00 119.40 1lqu n LEU 455 Ca -0.00 -1.66 0.15 0.00 -0.03 0.00 0.00 56.01 54.46 1lqu n LEU 455 Cb 0.42 -0.30 0.64 0.00 -2.33 0.00 0.00 43.42 41.86 1lqu n LEU 455 CO 0.43 0.79 0.94 0.61 -1.33 0.00 0.00 177.39 178.83