#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umc s LEU 3 N 0.00 4.29 0.14 0.00 1.43 -1.26 0.63 118.68 123.91 1umc s LEU 3 Ca 0.00 1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 1umc s LEU 3 Cb 0.00 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 43.05 1umc s LEU 3 CO 0.00 -0.21 0.37 0.00 0.23 0.00 0.00 176.35 176.74 1umc s MET 4 N 1.17 1.10 0.65 1.70 0.23 -0.20 -4.91 119.30 119.04 1umc s MET 4 Ca 0.40 -0.87 -0.07 0.00 -1.03 0.00 0.00 55.69 54.12 1umc s MET 4 Cb -0.18 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1umc s MET 4 CO 0.18 -0.42 0.97 0.95 -2.03 0.00 0.00 175.02 174.67 1umc s THR 5 N -3.86 3.23 0.32 3.16 -4.23 -1.26 -2.06 115.64 110.95 1umc s THR 5 Ca 0.07 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1umc s THR 5 Cb 0.02 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.82 1umc s THR 5 CO -0.08 -0.37 1.89 -0.03 -0.54 0.00 0.00 174.62 175.50 1umc h MET 6 N -0.39 0.85 -0.53 3.99 4.05 -1.68 -0.82 114.93 120.41 1umc h MET 6 Ca -0.45 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 1umc h MET 6 Cb 1.27 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.85 1umc h MET 6 CO 0.61 0.56 0.30 0.28 0.23 0.00 0.00 176.91 178.90 1umc h VAL 7 N 0.88 1.17 -0.35 -5.77 2.07 -1.74 -0.52 116.25 111.98 1umc h VAL 7 Ca 0.41 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1umc h VAL 7 Cb 0.41 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1umc h VAL 7 CO -0.18 0.18 0.09 1.56 0.02 0.00 0.00 177.57 179.24 1umc h GLN 8 N 0.71 0.56 -0.44 1.57 4.20 -1.57 -0.67 115.11 119.47 1umc h GLN 8 Ca 0.19 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1umc h GLN 8 Cb 0.02 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1umc h GLN 8 CO -0.03 0.60 0.27 0.00 -0.67 0.00 0.00 178.83 179.00 1umc h ALA 9 N 0.93 0.56 -0.48 3.87 0.00 -0.91 0.14 119.26 123.36 1umc h ALA 9 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1umc h ALA 9 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1umc h ALA 9 CO 0.00 -0.04 0.23 -0.07 0.00 0.00 0.00 179.25 179.36 1umc h LEU 10 N 0.54 0.64 -0.77 0.00 3.38 -0.94 -0.16 115.31 118.00 1umc h LEU 10 Ca 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1umc h LEU 10 Cb -0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1umc h LEU 10 CO -0.07 0.59 0.36 -1.13 0.09 0.00 0.00 178.44 178.29 1umc h ASN 11 N 0.64 1.02 -0.42 -0.43 -0.73 -0.79 -1.27 115.58 113.60 1umc h ASN 11 Ca 0.16 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1umc h ASN 11 Cb 0.13 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1umc h ASN 11 CO -0.02 0.87 0.24 -0.09 -0.37 0.00 0.00 177.43 178.06 1umc h ARG 12 N 1.09 0.58 -0.03 6.67 9.65 -0.30 -1.12 114.38 130.93 1umc h ARG 12 Ca 0.26 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1umc h ARG 12 Cb 0.13 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1umc h ARG 12 CO -0.03 0.46 -0.02 0.00 2.80 0.00 0.00 179.97 183.18 1umc h ALA 13 N 1.09 0.01 -0.43 2.80 0.00 -0.57 0.98 119.26 123.14 1umc h ALA 13 Ca 0.15 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1umc h ALA 13 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1umc h ALA 13 CO -0.02 -0.51 0.22 -0.07 0.00 0.00 0.00 179.25 178.87 1umc h LEU 14 N -0.02 0.33 -0.53 0.00 3.38 -1.07 -0.91 115.31 116.49 1umc h LEU 14 Ca 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1umc h LEU 14 Cb 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1umc h LEU 14 CO -0.05 0.23 0.32 -0.78 0.09 0.00 0.00 178.44 178.26 1umc h ASP 15 N 0.44 0.62 0.12 -0.43 3.58 -0.93 -0.11 116.42 119.73 1umc h ASP 15 Ca 0.19 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1umc h ASP 15 Cb 0.08 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1umc h ASP 15 CO -0.13 0.49 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.33 1umc h GLU 16 N 0.71 -0.16 -0.45 0.28 5.08 -0.30 -1.01 114.58 118.73 1umc h GLU 16 Ca 0.19 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1umc h GLU 16 Cb -0.03 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1umc h GLU 16 CO -0.04 -0.08 0.04 0.93 -1.00 0.00 0.00 179.01 178.86 1umc h GLU 17 N -0.19 0.71 -0.19 2.33 4.39 -1.06 -1.27 114.58 119.30 1umc h GLU 17 Ca -0.02 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 1umc h GLU 17 Cb 0.15 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1umc h GLU 17 CO 0.03 0.69 -0.44 0.52 -1.16 0.00 0.00 179.01 178.66 1umc h MET 18 N 0.67 0.45 -0.09 2.33 2.86 -0.83 0.16 114.93 120.49 1umc h MET 18 Ca 0.14 -0.24 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 1umc h MET 18 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1umc h MET 18 CO 0.01 0.81 -0.61 0.00 1.06 0.00 0.00 176.91 178.18 1umc h ALA 19 N 1.16 0.78 -0.15 6.32 0.00 -0.91 -3.26 119.26 123.21 1umc h ALA 19 Ca 0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1umc h ALA 19 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1umc h ALA 19 CO 0.08 0.72 -0.39 -0.22 0.00 0.00 0.00 179.25 179.44 1umc h LYS 20 N 0.24 0.52 -3.87 0.00 1.63 -0.90 -3.44 116.57 110.75 1umc h LYS 20 Ca -0.01 -0.36 -0.50 0.00 -0.85 0.00 0.00 60.65 58.93 1umc h LYS 20 Cb 1.13 0.06 -0.38 0.00 -0.60 0.00 0.00 32.23 32.43 1umc h LYS 20 CO 0.10 0.98 -0.78 0.34 -3.45 0.00 0.00 179.45 176.64 1umc s ASP 21 N -6.54 2.31 0.59 4.20 -1.08 0.54 -5.02 116.67 111.67 1umc s ASP 21 Ca -0.13 -0.44 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 1umc s ASP 21 Cb 0.06 -0.66 1.68 0.00 -1.46 0.00 0.00 42.92 42.54 1umc s ASP 21 CO 0.81 -0.21 2.12 -0.65 0.52 0.00 0.00 175.17 177.77 1umc h PRO 22 N 8.23 0.00 0.00 4.34 0.11 -1.85 -1.59 132.00 141.23 1umc h PRO 22 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1umc h PRO 22 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1umc h PRO 22 CO 0.34 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.67 1umc n ARG 23 N -3.81 0.22 -2.54 1.05 1.74 -1.26 -4.71 116.66 107.34 1umc n ARG 23 Ca 0.01 0.37 -0.43 0.00 -0.77 0.00 0.00 57.85 57.03 1umc n ARG 23 Cb 0.29 -1.86 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 1umc n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1umc s VAL 24 N -3.26 4.48 0.08 1.55 1.01 -0.60 -0.33 120.40 123.32 1umc s VAL 24 Ca 0.06 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.86 1umc s VAL 24 Cb 0.10 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1umc s VAL 24 CO 0.45 -0.17 -0.12 0.68 0.00 0.00 0.00 175.10 175.94 1umc s VAL 25 N 3.37 0.98 -0.10 2.92 -7.23 -1.05 -4.85 120.40 114.44 1umc s VAL 25 Ca 0.49 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1umc s VAL 25 Cb -0.18 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 1umc s VAL 25 CO 0.10 -0.35 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.72 1umc s VAL 26 N -1.63 3.05 -0.02 1.32 1.01 0.19 -0.37 120.40 123.96 1umc s VAL 26 Ca -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1umc s VAL 26 Cb -0.08 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1umc s VAL 26 CO 0.01 0.55 0.10 -1.48 0.00 0.00 0.00 175.10 174.29 1umc s LEU 27 N -0.10 1.64 0.00 3.92 2.34 -1.09 -0.32 118.68 125.08 1umc s LEU 27 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1umc s LEU 27 Cb -0.14 0.46 0.00 0.00 -0.56 0.00 0.00 46.19 45.95 1umc s LEU 27 CO 0.04 -0.19 0.00 0.61 -1.06 0.00 0.00 176.35 175.74 1umc n GLY 28 N 2.27 -2.44 3.68 -3.48 0.00 -0.89 -1.43 105.19 102.90 1umc n GLY 28 Ca -0.18 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1umc n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1umc s GLU 29 N -1.95 4.32 -1.74 1.61 2.02 -1.26 -1.14 118.70 120.56 1umc s GLU 29 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.54 1umc s GLU 29 Cb 0.00 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1umc s GLU 29 CO 0.00 -0.52 0.00 -0.25 0.02 0.00 0.00 175.26 174.51 1umc n ASP 30 N 5.71 -5.42 0.14 -0.19 8.00 -1.26 -4.79 116.55 118.73 1umc n ASP 30 Ca 0.11 0.12 0.08 0.00 0.71 0.00 0.00 54.79 55.82 1umc n ASP 30 Cb 0.46 -4.50 0.05 0.00 -0.02 0.00 0.00 41.12 37.11 1umc n ASP 30 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1umc h VAL 31 N 0.00 0.25 0.00 2.53 -1.51 -1.88 -0.69 116.25 114.95 1umc h VAL 31 Ca -0.43 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1umc h VAL 31 Cb 1.31 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 1umc h VAL 31 CO 0.54 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.63 1umc n GLY 32 N 1.20 1.67 0.33 5.19 0.00 -1.26 -3.50 105.19 108.81 1umc n GLY 32 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 1umc n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1umc h LYS 33 N 0.00 0.13 -0.20 1.61 3.64 -1.91 0.68 116.57 120.51 1umc h LYS 33 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1umc h LYS 33 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1umc h LYS 33 CO 0.00 0.09 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.90 1umc h ARG 34 N 0.14 0.39 0.00 1.90 9.65 -1.83 -3.47 114.38 121.16 1umc h ARG 34 Ca 0.77 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.50 1umc h ARG 34 Cb 1.87 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.43 1umc h ARG 34 CO -0.71 0.63 0.00 0.41 2.80 0.00 0.00 179.97 183.10 1umc n GLY 35 N -0.39 0.63 0.00 2.80 0.00 0.24 -4.85 105.19 103.62 1umc n GLY 35 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1umc n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umc n GLY 36 N -2.73 0.63 0.10 -0.02 0.00 -0.27 -1.64 105.19 101.26 1umc n GLY 36 Ca 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1umc n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1umc n VAL 37 N 1.05 1.12 -0.58 1.61 0.24 -1.26 -1.19 118.33 119.31 1umc n VAL 37 Ca 0.00 0.44 0.03 0.00 -2.04 0.00 0.00 64.34 62.77 1umc n VAL 37 Cb 0.00 -1.37 0.05 0.00 -1.47 0.00 0.00 33.84 31.04 1umc n VAL 37 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1umc n PHE 38 N -2.00 0.00 -0.97 6.34 3.72 -1.26 -5.00 117.46 118.29 1umc n PHE 38 Ca 0.01 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 1umc n PHE 38 Cb 0.12 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1umc n PHE 38 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1umc n LEU 39 N -0.72 0.83 0.09 4.37 4.77 -0.34 -4.86 117.00 121.14 1umc n LEU 39 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1umc n LEU 39 Cb 0.43 -2.10 0.58 0.00 -2.33 0.00 0.00 43.42 40.00 1umc n LEU 39 CO 0.00 -0.80 1.13 0.58 -1.33 0.00 0.00 177.39 176.98 1umc h VAL 40 N 0.00 0.95 -0.52 4.08 2.07 -1.81 -1.99 116.25 119.03 1umc h VAL 40 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1umc h VAL 40 Cb 0.78 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1umc h VAL 40 CO 0.00 0.04 0.00 0.35 0.02 0.00 0.00 177.57 177.98 1umc n THR 41 N -4.48 1.64 -1.63 2.57 -2.24 -0.91 -3.92 114.28 105.31 1umc n THR 41 Ca 0.03 -1.25 -0.50 0.00 -2.27 0.00 0.00 64.05 60.06 1umc n THR 41 Cb 0.23 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1umc n THR 41 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1umc n GLU 42 N 0.75 1.54 0.00 -0.78 2.13 -0.65 -2.11 120.64 121.51 1umc n GLU 42 Ca 0.22 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1umc n GLU 42 Cb 0.76 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1umc n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1umc n GLY 43 N 3.08 2.97 0.33 8.31 0.00 -1.26 -4.87 105.19 113.74 1umc n GLY 43 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1umc n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1umc h LEU 44 N 0.00 1.02 -0.05 0.99 3.38 -1.79 -2.14 115.31 116.72 1umc h LEU 44 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1umc h LEU 44 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1umc h LEU 44 CO 0.00 0.79 0.03 0.25 0.09 0.00 0.00 178.44 179.61 1umc h LEU 45 N 1.17 0.06 -1.80 1.67 5.85 -1.86 0.41 115.31 120.80 1umc h LEU 45 Ca 0.30 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1umc h LEU 45 Cb -0.04 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1umc h LEU 45 CO -0.06 0.04 -0.12 0.06 -0.34 0.00 0.00 178.44 178.02 1umc h GLN 46 N 0.07 0.00 0.10 1.25 3.07 -1.87 0.58 115.11 118.32 1umc h GLN 46 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.47 1umc h GLN 46 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 1umc h GLN 46 CO -0.01 0.12 -1.54 -0.22 0.09 0.00 0.00 178.83 177.28 1umc h LYS 47 N 0.00 0.22 0.00 0.06 3.64 -0.81 -3.40 116.57 116.27 1umc h LYS 47 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1umc h LYS 47 Cb 0.23 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1umc h LYS 47 CO 0.02 1.18 -1.02 0.66 -2.27 0.00 0.00 179.45 178.01 1umc n TYR 48 N -3.88 0.00 0.00 1.91 4.01 0.14 -5.10 117.16 114.23 1umc n TYR 48 Ca -0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1umc n TYR 48 Cb 0.91 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1umc n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1umc n GLY 49 N 1.46 0.96 0.29 2.72 0.00 0.19 -4.52 105.19 106.29 1umc n GLY 49 Ca 0.03 -1.77 0.16 0.00 0.00 0.00 0.00 46.02 44.44 1umc n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1umc h PRO 50 N 0.00 0.00 -0.05 1.61 0.13 -1.78 -2.26 132.00 129.64 1umc h PRO 50 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1umc h PRO 50 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1umc h PRO 50 CO 0.00 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 177.57 1umc n ASP 51 N -3.56 0.44 0.00 1.44 8.00 -1.26 -3.53 116.55 118.08 1umc n ASP 51 Ca -0.02 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1umc n ASP 51 Cb 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1umc n ASP 51 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1umc n ARG 52 N -0.45 3.22 -3.63 -1.24 1.74 -0.88 -4.91 116.66 110.50 1umc n ARG 52 Ca 0.12 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 1umc n ARG 52 Cb 0.12 -0.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.88 1umc n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1umc s VAL 53 N -0.84 0.58 -0.11 1.55 1.01 -1.03 0.55 120.40 122.12 1umc s VAL 53 Ca 0.00 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1umc s VAL 53 Cb 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1umc s VAL 53 CO 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 175.10 174.11 1umc s MET 54 N 1.44 3.14 0.30 2.72 0.23 0.56 -4.48 119.30 123.22 1umc s MET 54 Ca 0.12 -0.82 -0.29 0.00 -1.03 0.00 0.00 55.69 53.67 1umc s MET 54 Cb -0.19 -2.40 -0.10 0.00 -1.53 0.00 0.00 34.83 30.61 1umc s MET 54 CO -0.19 0.19 1.22 -0.51 -2.03 0.00 0.00 175.02 173.70 1umc s ASP 55 N 0.33 6.99 0.36 -1.18 1.01 -1.26 -2.09 116.67 120.84 1umc s ASP 55 Ca -0.16 2.49 0.08 0.00 0.71 0.00 0.00 52.55 55.67 1umc s ASP 55 Cb -0.17 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.06 1umc s ASP 55 CO 0.08 -0.37 0.05 0.42 0.21 0.00 0.00 175.17 175.56 1umc s THR 56 N -1.04 2.52 0.97 -1.27 -4.23 -0.29 -4.84 115.64 107.45 1umc s THR 56 Ca 0.48 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1umc s THR 56 Cb -0.36 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 70.78 1umc s THR 56 CO 0.47 -0.14 1.09 -2.84 -0.54 0.00 0.00 174.62 172.65 1umc s PRO 57 N -3.76 0.67 -1.36 3.99 0.02 -1.26 -4.63 135.00 128.67 1umc s PRO 57 Ca 0.36 0.73 -0.16 0.00 0.02 0.00 0.00 61.00 61.95 1umc s PRO 57 Cb 0.02 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.85 1umc s PRO 57 CO 0.20 -2.62 1.91 -0.11 -0.33 0.00 0.00 177.00 176.05 1umc n LEU 58 N -4.13 5.66 -3.35 -5.54 0.00 -1.26 -4.81 117.00 103.57 1umc n LEU 58 Ca 0.06 -4.02 -0.10 0.00 0.00 0.00 0.00 56.01 51.96 1umc n LEU 58 Cb 0.56 -1.71 -0.08 0.00 0.00 0.00 0.00 43.42 42.18 1umc n LEU 58 CO 0.56 0.52 -0.06 -0.55 0.00 0.00 0.00 177.39 177.86 1umc s SER 59 N 3.80 0.32 0.47 1.96 0.15 -1.26 -5.02 113.70 114.12 1umc s SER 59 Ca 0.51 0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.54 1umc s SER 59 Cb 0.08 1.08 1.15 0.00 -1.71 0.00 0.00 66.02 66.62 1umc s SER 59 CO 0.02 -0.31 1.96 -0.33 1.20 0.00 0.00 173.24 175.78 1umc h GLU 60 N 8.19 0.00 -0.27 5.44 3.07 -1.88 -0.68 114.58 128.45 1umc h GLU 60 Ca -0.18 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.51 1umc h GLU 60 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1umc h GLU 60 CO 0.27 0.20 -0.49 0.00 -1.40 0.00 0.00 179.01 177.60 1umc h ALA 61 N 1.80 0.42 -0.44 3.43 0.00 -1.86 -1.57 119.26 121.04 1umc h ALA 61 Ca -0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1umc h ALA 61 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1umc h ALA 61 CO 0.03 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1umc h ALA 62 N 0.66 0.60 0.91 0.00 0.00 -1.81 -0.32 119.26 119.30 1umc h ALA 62 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1umc h ALA 62 Cb 1.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1umc h ALA 62 CO 0.11 0.41 -0.43 0.82 0.00 0.00 0.00 179.25 180.16 1umc h ILE 63 N 0.64 0.00 -0.01 0.00 2.04 -1.08 0.41 117.51 119.51 1umc h ILE 63 Ca 0.12 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1umc h ILE 63 Cb 0.52 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1umc h ILE 63 CO 0.03 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.74 1umc h VAL 64 N -1.22 0.96 -0.46 1.67 2.07 -1.34 -0.76 116.25 117.17 1umc h VAL 64 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1umc h VAL 64 Cb 0.93 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1umc h VAL 64 CO 0.20 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.29 1umc h GLY 65 N -0.02 0.68 1.18 2.17 0.00 -1.10 -0.01 103.07 105.98 1umc h GLY 65 Ca 0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1umc h GLY 65 CO -0.02 0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.89 1umc h ALA 66 N 1.11 1.00 -0.97 3.60 0.00 -0.86 0.02 119.26 123.16 1umc h ALA 66 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1umc h ALA 66 Cb 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1umc h ALA 66 CO -0.03 0.63 0.61 0.00 0.00 0.00 0.00 179.25 180.47 1umc h ALA 67 N 1.14 1.25 -0.01 0.00 0.00 -0.73 0.16 119.26 121.09 1umc h ALA 67 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1umc h ALA 67 Cb 0.43 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1umc h ALA 67 CO 0.01 0.66 0.00 1.25 0.00 0.00 0.00 179.25 181.18 1umc h LEU 68 N 1.33 0.01 -0.87 0.00 7.12 -0.06 -1.10 115.31 121.75 1umc h LEU 68 Ca 0.35 -0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1umc h LEU 68 Cb -0.10 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 1umc h LEU 68 CO -0.07 0.11 0.57 1.23 -0.13 0.00 0.00 178.44 180.15 1umc h GLY 69 N -0.09 1.23 0.92 3.75 0.00 -0.36 -0.79 103.07 107.72 1umc h GLY 69 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1umc h GLY 69 CO -0.00 0.43 0.11 -0.33 0.00 0.00 0.00 176.54 176.75 1umc h MET 70 N 1.15 0.37 -0.90 4.80 2.86 -0.52 -2.14 114.93 120.54 1umc h MET 70 Ca 0.32 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1umc h MET 70 Cb -0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1umc h MET 70 CO -0.08 0.38 0.55 0.00 1.06 0.00 0.00 176.91 178.82 1umc h ALA 71 N 0.97 1.15 0.00 6.32 0.00 -0.82 -0.86 119.26 126.03 1umc h ALA 71 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1umc h ALA 71 Cb 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1umc h ALA 71 CO -0.01 0.60 -0.34 0.00 0.00 0.00 0.00 179.25 179.51 1umc h ALA 72 N 1.30 1.32 0.04 0.00 0.00 -0.98 -3.29 119.26 117.66 1umc h ALA 72 Ca 0.33 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1umc h ALA 72 Cb -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1umc h ALA 72 CO -0.06 0.42 -1.76 1.25 0.00 0.00 0.00 179.25 179.10 1umc h HIS 73 N 0.00 0.15 0.00 0.00 6.17 -0.73 -3.44 115.15 117.29 1umc h HIS 73 Ca -0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1umc h HIS 73 Cb 0.64 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1umc h HIS 73 CO 0.00 1.23 0.00 0.41 0.71 0.00 0.00 177.93 180.28 1umc n GLY 74 N 1.67 0.00 3.99 5.26 0.00 -0.44 -5.11 105.19 110.57 1umc n GLY 74 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1umc n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umc s LEU 75 N 0.00 3.61 -0.60 0.99 1.43 -0.54 -4.91 118.68 118.66 1umc s LEU 75 Ca 0.00 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1umc s LEU 75 Cb 0.00 -2.75 0.17 0.00 0.03 0.00 0.00 46.19 43.63 1umc s LEU 75 CO 0.00 -0.80 0.43 -0.13 0.23 0.00 0.00 176.35 176.08 1umc s ARG 76 N -4.43 1.91 0.36 1.70 0.52 0.55 -3.87 118.95 115.69 1umc s ARG 76 Ca 0.54 -2.88 -0.25 0.00 -0.52 0.00 0.00 55.73 52.61 1umc s ARG 76 Cb -0.10 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.53 1umc s ARG 76 CO 0.34 -1.31 1.02 -1.25 0.02 0.00 0.00 175.30 174.13 1umc s PRO 77 N -0.87 4.35 -0.37 3.54 0.04 -1.26 -2.54 135.00 137.89 1umc s PRO 77 Ca 0.27 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1umc s PRO 77 Cb -0.03 -2.70 0.11 0.00 0.04 0.00 0.00 34.50 31.92 1umc s PRO 77 CO -0.16 0.03 0.09 0.08 0.04 0.00 0.00 177.00 177.08 1umc s VAL 78 N -1.59 2.17 0.25 -0.36 1.01 0.50 -1.63 120.40 120.76 1umc s VAL 78 Ca 0.54 -2.42 -0.19 0.00 0.00 0.00 0.00 61.98 59.91 1umc s VAL 78 Cb -0.22 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 1umc s VAL 78 CO 0.28 -0.64 0.74 0.00 0.00 0.00 0.00 175.10 175.48 1umc s ALA 79 N 0.77 3.38 -0.06 5.51 0.00 0.11 -2.66 121.76 128.82 1umc s ALA 79 Ca 0.12 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1umc s ALA 79 Cb -0.20 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1umc s ALA 79 CO -0.08 0.32 -0.25 -2.00 0.00 0.00 0.00 175.76 173.75 1umc s GLU 80 N -2.20 2.52 -0.26 0.00 2.12 -0.51 0.07 118.70 120.44 1umc s GLU 80 Ca 0.46 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 1umc s GLU 80 Cb -0.15 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.09 1umc s GLU 80 CO 0.20 0.40 -0.00 0.42 -0.54 0.00 0.00 175.26 175.74 1umc s ILE 81 N -0.21 3.41 0.34 -3.70 -1.09 -0.20 -4.40 121.20 115.34 1umc s ILE 81 Ca -0.02 -0.77 0.14 0.00 -2.23 0.00 0.00 60.65 57.76 1umc s ILE 81 Cb -0.13 -2.70 0.33 0.00 -1.58 0.00 0.00 42.46 38.38 1umc s ILE 81 CO 0.03 0.21 1.64 -0.61 -1.23 0.00 0.00 174.94 174.98 1umc h GLN 82 N 8.12 0.24 -3.23 2.79 4.15 -1.90 -3.36 115.11 121.92 1umc h GLN 82 Ca -0.34 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 58.88 1umc h GLN 82 Cb 1.13 -0.05 -0.27 0.00 0.21 0.00 0.00 27.48 28.49 1umc h GLN 82 CO 0.59 0.16 -0.50 -0.06 -1.93 0.00 0.00 178.83 177.09 1umc s PHE 83 N -5.68 -0.22 0.56 3.99 0.40 -1.26 -4.29 117.98 111.48 1umc s PHE 83 Ca -0.10 0.55 0.30 0.00 -0.60 0.00 0.00 56.93 57.08 1umc s PHE 83 Cb 0.30 0.05 1.46 0.00 0.51 0.00 0.00 43.02 45.35 1umc s PHE 83 CO 0.79 -0.13 1.89 0.00 0.70 0.00 0.00 175.22 178.46 1umc h ALA 84 N 6.17 2.53 0.00 5.36 0.00 -0.66 0.33 119.26 132.99 1umc h ALA 84 Ca -0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1umc h ALA 84 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1umc h ALA 84 CO 0.39 -0.92 -0.06 -0.44 0.00 0.00 0.00 179.25 178.22 1umc h ASP 85 N 0.00 0.00 -0.64 0.00 5.19 -1.82 -2.72 116.42 116.43 1umc h ASP 85 Ca 0.32 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.63 1umc h ASP 85 Cb 1.46 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.90 1umc h ASP 85 CO -0.00 0.06 0.13 -1.22 -3.12 0.00 0.00 179.24 175.09 1umc n TYR 86 N -3.42 2.20 0.13 4.55 4.01 0.12 -4.27 117.16 120.48 1umc n TYR 86 Ca -0.02 -0.92 0.01 0.00 -0.16 0.00 0.00 57.90 56.81 1umc n TYR 86 Cb 0.19 -0.59 0.04 0.00 -0.31 0.00 0.00 39.34 38.68 1umc n TYR 86 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1umc h ILE 87 N 3.23 0.99 -0.71 -0.72 6.09 -1.60 -3.37 117.51 121.42 1umc h ILE 87 Ca 0.13 -2.31 0.11 0.00 -1.37 0.00 0.00 64.86 61.42 1umc h ILE 87 Cb 2.11 2.42 -0.08 0.00 0.47 0.00 0.00 36.82 41.74 1umc h ILE 87 CO 0.60 0.55 0.32 -0.26 -3.07 0.00 0.00 178.15 176.28 1umc h PHE 88 N 0.00 0.56 -0.06 2.19 0.04 -1.83 -0.51 116.94 117.32 1umc h PHE 88 Ca -0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 1umc h PHE 88 Cb 1.38 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 1umc h PHE 88 CO 0.00 0.15 0.11 -1.35 -0.60 0.00 0.00 178.31 176.62 1umc h PRO 89 N 0.52 0.00 -0.36 1.51 0.11 -1.92 0.09 132.00 131.95 1umc h PRO 89 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1umc h PRO 89 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1umc h PRO 89 CO -0.32 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.88 1umc n GLY 90 N -1.28 3.38 0.18 -0.55 0.00 -0.27 -4.12 105.19 102.53 1umc n GLY 90 Ca -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1umc n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1umc h PHE 91 N 2.28 0.14 -0.77 1.61 3.57 -0.25 -1.56 116.94 121.96 1umc h PHE 91 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1umc h PHE 91 Cb 1.22 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1umc h PHE 91 CO 0.47 0.01 0.50 0.22 -2.23 0.00 0.00 178.31 177.27 1umc h ASP 92 N 0.22 0.85 -0.86 0.41 3.58 -1.84 0.69 116.42 119.46 1umc h ASP 92 Ca 0.21 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1umc h ASP 92 Cb 0.26 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 1umc h ASP 92 CO -0.28 0.61 0.56 1.56 -2.88 0.00 0.00 179.24 178.81 1umc h GLN 93 N 1.01 1.07 0.08 0.28 1.08 -1.74 0.59 115.11 117.48 1umc h GLN 93 Ca 0.29 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1umc h GLN 93 Cb -0.07 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.12 1umc h GLN 93 CO -0.08 0.71 -0.04 1.25 -0.95 0.00 0.00 178.83 179.72 1umc h LEU 94 N 1.10 -0.10 0.00 1.46 5.85 -0.30 -0.47 115.31 122.85 1umc h LEU 94 Ca 0.33 -0.36 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 1umc h LEU 94 Cb -0.04 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1umc h LEU 94 CO -0.10 0.32 -0.96 -0.37 -0.34 0.00 0.00 178.44 176.99 1umc h VAL 95 N -0.54 0.86 0.05 1.05 -1.51 -0.80 -1.23 116.25 114.12 1umc h VAL 95 Ca -0.01 -2.34 -0.38 0.00 -1.23 0.00 0.00 66.70 62.74 1umc h VAL 95 Cb 0.45 2.35 -0.05 0.00 -2.13 0.00 0.00 31.29 31.91 1umc h VAL 95 CO 0.02 0.49 -2.26 -1.20 -1.23 0.00 0.00 177.57 173.39 1umc n SER 96 N -3.11 2.04 -0.10 4.19 7.64 0.20 -4.24 113.62 120.24 1umc n SER 96 Ca -0.03 0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1umc n SER 96 Cb 0.82 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 1umc n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1umc n GLN 97 N -3.41 0.53 0.32 1.43 1.13 -1.01 -4.19 117.38 112.18 1umc n GLN 97 Ca -0.40 0.46 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 1umc n GLN 97 Cb 1.00 -1.64 -0.08 0.00 0.11 0.00 0.00 30.24 29.63 1umc n GLN 97 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1umc h VAL 98 N -1.00 0.27 -0.45 5.09 2.07 -1.07 -2.77 116.25 118.39 1umc h VAL 98 Ca -0.26 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1umc h VAL 98 Cb 1.07 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1umc h VAL 98 CO -0.15 0.03 0.20 0.00 0.02 0.00 0.00 177.57 177.67 1umc h ALA 99 N -0.81 1.51 -0.07 1.67 0.00 -1.41 -3.22 119.26 116.92 1umc h ALA 99 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1umc h ALA 99 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1umc h ALA 99 CO 0.14 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.41 1umc n LYS 100 N -4.38 2.04 0.13 0.00 5.02 -1.25 -4.31 118.16 115.41 1umc n LYS 100 Ca 0.03 -1.84 -0.13 0.00 -2.02 0.00 0.00 58.31 54.35 1umc n LYS 100 Cb 0.13 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1umc n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1umc h LEU 101 N 4.20 -0.94 -0.42 -0.35 5.85 -1.50 0.85 115.31 123.01 1umc h LEU 101 Ca 0.00 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1umc h LEU 101 Cb 0.90 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1umc h LEU 101 CO 0.00 -0.42 0.18 -0.09 -0.34 0.00 0.00 178.44 177.77 1umc h ARG 102 N -0.57 0.35 0.65 1.25 2.43 -1.82 -2.37 114.38 114.30 1umc h ARG 102 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1umc h ARG 102 Cb 0.59 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1umc h ARG 102 CO -0.18 0.23 -0.31 -0.92 -1.51 0.00 0.00 179.97 177.28 1umc h TYR 103 N 0.36 -0.81 0.00 2.20 3.20 -1.78 0.22 116.97 120.37 1umc h TYR 103 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1umc h TYR 103 Cb 0.14 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1umc h TYR 103 CO -0.13 -0.47 0.00 0.07 -1.64 0.00 0.00 178.16 175.99 1umc h ARG 104 N -0.96 0.00 -0.70 1.82 0.11 -0.82 -2.27 114.38 111.56 1umc h ARG 104 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1umc h ARG 104 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1umc h ARG 104 CO 0.15 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.09 1umc n SER 105 N -2.54 3.99 -2.47 0.08 3.41 -0.90 -4.93 113.62 110.27 1umc n SER 105 Ca 0.01 -2.05 -0.20 0.00 -0.26 0.00 0.00 58.87 56.36 1umc n SER 105 Cb 0.20 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 1umc n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1umc n GLY 106 N 1.52 -0.50 2.31 5.00 0.00 -0.85 -1.19 105.19 111.47 1umc n GLY 106 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1umc n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umc n GLY 107 N -1.05 0.84 0.23 -0.02 0.00 0.77 -4.93 105.19 101.04 1umc n GLY 107 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1umc n GLY 107 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1umc h GLN 108 N 2.93 0.41 -6.36 1.61 4.20 -1.38 -3.43 115.11 113.09 1umc h GLN 108 Ca 0.00 -0.15 -0.65 0.00 0.06 0.00 0.00 58.65 57.91 1umc h GLN 108 Cb 0.00 -0.03 -0.29 0.00 0.30 0.00 0.00 27.48 27.46 1umc h GLN 108 CO 0.00 0.64 -0.87 -0.06 -0.67 0.00 0.00 178.83 177.87 1umc s PHE 109 N -4.46 2.10 0.29 2.96 0.08 -1.26 -5.13 117.98 112.56 1umc s PHE 109 Ca -0.06 -0.40 0.09 0.00 0.12 0.00 0.00 56.93 56.68 1umc s PHE 109 Cb 0.14 -1.33 -0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1umc s PHE 109 CO 0.78 -0.00 -0.13 0.95 -0.10 0.00 0.00 175.22 176.72 1umc s THR 110 N -0.61 2.10 -0.58 0.64 -4.23 -1.26 -3.33 115.64 108.38 1umc s THR 110 Ca 0.09 -2.25 0.06 0.00 -1.18 0.00 0.00 61.69 58.41 1umc s THR 110 Cb -0.09 -2.40 0.32 0.00 1.34 0.00 0.00 72.50 71.67 1umc s THR 110 CO -0.00 -0.35 0.88 0.00 -0.54 0.00 0.00 174.62 174.61 1umc n ALA 111 N -0.62 4.33 -1.77 3.99 0.00 -1.26 -3.52 120.51 121.65 1umc n ALA 111 Ca -0.06 -4.62 -0.34 0.00 0.00 0.00 0.00 53.44 48.42 1umc n ALA 111 Cb 0.62 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 1umc n ALA 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1umc n PRO 112 N 0.08 1.66 -4.20 0.00 -0.04 -1.17 -3.24 135.00 128.10 1umc n PRO 112 Ca 0.30 -2.30 -0.12 0.00 -0.04 0.00 0.00 63.50 61.34 1umc n PRO 112 Cb 0.41 -3.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.34 1umc n PRO 112 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1umc s LEU 113 N 7.16 2.50 -0.04 1.53 0.05 -1.26 -4.16 118.68 124.46 1umc s LEU 113 Ca 0.64 -0.98 0.05 0.00 0.05 0.00 0.00 54.13 53.88 1umc s LEU 113 Cb 0.05 -0.21 -0.01 0.00 -2.05 0.00 0.00 46.19 43.98 1umc s LEU 113 CO 0.13 -0.38 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.68 1umc s VAL 114 N -3.33 1.43 -0.33 1.48 1.01 -0.65 -1.78 120.40 118.23 1umc s VAL 114 Ca 0.13 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1umc s VAL 114 Cb 0.03 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.28 1umc s VAL 114 CO -0.02 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 1umc s VAL 115 N -0.07 2.44 0.28 2.92 1.01 -0.06 0.08 120.40 126.99 1umc s VAL 115 Ca -0.01 -2.14 -0.16 0.00 0.00 0.00 0.00 61.98 59.66 1umc s VAL 115 Cb -0.10 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 1umc s VAL 115 CO 0.02 -0.49 0.71 -0.13 0.00 0.00 0.00 175.10 175.21 1umc s ARG 116 N 0.98 4.07 -0.28 2.72 0.52 0.11 -0.78 118.95 126.29 1umc s ARG 116 Ca 0.06 0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 55.77 1umc s ARG 116 Cb -0.20 -2.61 0.11 0.00 0.52 0.00 0.00 34.95 32.78 1umc s ARG 116 CO -0.07 0.25 0.90 0.00 0.02 0.00 0.00 175.30 176.40 1umc s MET 117 N -2.61 0.56 0.42 3.54 0.23 -0.77 -1.04 119.30 119.64 1umc s MET 117 Ca 0.50 0.81 -0.24 0.00 -1.03 0.00 0.00 55.69 55.73 1umc s MET 117 Cb -0.12 0.20 -0.08 0.00 -1.53 0.00 0.00 34.83 33.29 1umc s MET 117 CO 0.19 -0.09 1.09 -2.14 -2.03 0.00 0.00 175.02 172.04 1umc s PRO 118 N 0.88 4.02 0.23 3.16 0.02 -1.26 -1.05 135.00 140.99 1umc s PRO 118 Ca -0.04 1.60 -0.02 0.00 0.02 0.00 0.00 61.00 62.57 1umc s PRO 118 Cb -0.05 -2.49 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1umc s PRO 118 CO -0.11 -0.29 0.33 -1.13 -0.33 0.00 0.00 177.00 175.47 1umc n SER 119 N -0.23 -0.92 -0.10 2.53 3.41 -0.05 -0.03 113.62 118.23 1umc n SER 119 Ca 0.06 -2.18 0.01 0.00 -0.26 0.00 0.00 58.87 56.50 1umc n SER 119 Cb 0.49 1.69 -0.01 0.00 -0.26 0.00 0.00 64.21 66.12 1umc n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1umc n GLY 120 N -0.36 -2.47 0.00 5.00 0.00 -0.49 -1.59 105.19 105.27 1umc n GLY 120 Ca -0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1umc n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umc n GLY 121 N -2.30 2.00 2.02 -0.02 0.00 -0.89 -4.14 105.19 101.86 1umc n GLY 121 Ca -0.01 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 1umc n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umc n GLY 122 N 5.00 0.45 0.38 -0.02 0.00 -1.26 -4.63 105.19 105.11 1umc n GLY 122 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1umc n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1umc n VAL 123 N -2.98 0.96 -3.81 1.61 0.24 -1.26 -4.96 118.33 108.12 1umc n VAL 123 Ca -0.00 -1.25 -0.24 0.00 -2.04 0.00 0.00 64.34 60.81 1umc n VAL 123 Cb 0.02 0.16 0.01 0.00 -1.47 0.00 0.00 33.84 32.56 1umc n VAL 123 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1umc n ARG 124 N -0.67 -4.41 0.00 7.34 1.74 -1.26 -4.90 116.66 114.51 1umc n ARG 124 Ca 0.08 0.54 0.12 0.00 -0.77 0.00 0.00 57.85 57.82 1umc n ARG 124 Cb 0.70 -5.00 0.16 0.00 -1.02 0.00 0.00 32.46 27.31 1umc n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1umc n GLY 125 N -1.71 -0.61 7.00 -0.13 0.00 -1.26 -5.04 105.19 103.44 1umc n GLY 125 Ca -0.26 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1umc n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umc n GLY 126 N 1.42 0.95 0.20 -0.02 0.00 -1.26 -2.41 105.19 104.07 1umc n GLY 126 Ca 0.09 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1umc n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1umc h HIS 127 N 0.00 0.75 -0.19 1.61 3.86 -1.86 -3.36 115.15 115.96 1umc h HIS 127 Ca 0.00 -0.30 -0.07 0.00 -1.16 0.00 0.00 60.37 58.83 1umc h HIS 127 Cb 0.00 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1umc h HIS 127 CO 0.00 1.07 -0.16 0.72 0.86 0.00 0.00 177.93 180.42 1umc n HIS 128 N -3.91 0.60 -2.34 2.45 8.25 -1.25 -4.36 115.22 114.65 1umc n HIS 128 Ca -0.05 -1.35 0.02 0.00 -0.26 0.00 0.00 57.72 56.08 1umc n HIS 128 Cb 0.67 -0.34 0.01 0.00 1.12 0.00 0.00 29.99 31.45 1umc n HIS 128 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1umc n HIS 129 N -1.08 0.00 -0.01 4.41 -0.00 -1.01 -4.61 115.22 112.92 1umc n HIS 129 Ca 0.25 -0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 1umc n HIS 129 Cb 0.86 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.80 1umc n HIS 129 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1umc n SER 130 N 0.34 0.00 -4.55 0.41 7.64 -1.26 -4.10 113.62 112.10 1umc n SER 130 Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1umc n SER 130 Cb 1.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.27 1umc n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1umc n GLN 131 N 0.00 0.50 -3.59 1.43 6.02 -1.26 -2.10 117.38 118.38 1umc n GLN 131 Ca 0.00 0.22 -0.28 0.00 -0.01 0.00 0.00 57.00 56.93 1umc n GLN 131 Cb 0.00 -2.04 -0.11 0.00 1.02 0.00 0.00 30.24 29.11 1umc n GLN 131 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1umc s SER 132 N -1.48 2.79 -0.01 1.08 0.01 -1.26 -1.40 113.70 113.42 1umc s SER 132 Ca 0.71 -3.20 0.02 0.00 1.31 0.00 0.00 55.95 54.79 1umc s SER 132 Cb -0.37 -0.86 0.08 0.00 0.21 0.00 0.00 66.02 65.08 1umc s SER 132 CO 0.52 -0.16 0.83 -0.81 0.41 0.00 0.00 173.24 174.03 1umc n PRO 133 N 2.73 1.32 -0.34 12.44 -0.04 -1.26 -4.55 135.00 145.30 1umc n PRO 133 Ca 0.23 -0.32 0.23 0.00 -0.04 0.00 0.00 63.50 63.61 1umc n PRO 133 Cb 0.42 -1.34 0.47 0.00 -0.04 0.00 0.00 33.50 33.00 1umc n PRO 133 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1umc h GLU 134 N 0.45 0.34 -0.84 0.54 9.09 -1.99 -0.15 114.58 122.02 1umc h GLU 134 Ca 0.00 -0.02 0.15 0.00 0.05 0.00 0.00 59.36 59.54 1umc h GLU 134 Cb 0.41 -0.08 -0.10 0.00 -1.65 0.00 0.00 28.75 27.33 1umc h GLU 134 CO 0.03 0.22 0.42 0.00 0.05 0.00 0.00 179.01 179.73 1umc h ALA 135 N 1.84 1.27 -0.84 1.06 0.00 -1.91 0.12 119.26 120.79 1umc h ALA 135 Ca 0.73 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.80 1umc h ALA 135 Cb 1.63 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1umc h ALA 135 CO -0.59 -0.13 0.55 0.45 0.00 0.00 0.00 179.25 179.52 1umc h HIS 136 N 0.58 0.93 0.03 0.00 3.86 -1.38 -0.99 115.15 118.18 1umc h HIS 136 Ca 0.47 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.64 1umc h HIS 136 Cb 0.69 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 28.86 1umc h HIS 136 CO -0.10 0.48 -0.24 0.74 0.86 0.00 0.00 177.93 179.66 1umc h PHE 137 N 0.91 0.20 -0.43 2.45 0.04 -0.95 -3.22 116.94 115.94 1umc h PHE 137 Ca 0.37 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 61.06 1umc h PHE 137 Cb 0.25 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1umc h PHE 137 CO -0.00 1.01 0.29 0.28 -0.60 0.00 0.00 178.31 179.29 1umc h VAL 138 N -0.68 0.97 0.00 -0.55 2.07 -0.73 0.03 116.25 117.37 1umc h VAL 138 Ca -0.04 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1umc h VAL 138 Cb 1.10 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1umc h VAL 138 CO 0.05 0.07 0.00 1.57 0.02 0.00 0.00 177.57 179.27 1umc n HIS 139 N -4.48 0.63 -3.35 1.57 -0.00 -0.39 -4.62 115.22 104.59 1umc n HIS 139 Ca 0.05 0.21 -0.42 0.00 -0.00 0.00 0.00 57.72 57.57 1umc n HIS 139 Cb 0.23 -0.84 -0.09 0.00 -0.00 0.00 0.00 29.99 29.29 1umc n HIS 139 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1umc s THR 140 N -3.15 5.11 0.32 3.57 2.01 -0.01 -5.04 115.64 118.45 1umc s THR 140 Ca 0.08 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1umc s THR 140 Cb 0.12 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1umc s THR 140 CO 0.47 -0.27 1.43 0.00 -0.69 0.00 0.00 174.62 175.56 1umc s ALA 141 N 2.11 3.59 0.00 7.40 0.00 -1.26 -3.09 121.76 130.50 1umc s ALA 141 Ca 0.12 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1umc s ALA 141 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1umc s ALA 141 CO 0.13 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1umc n GLY 142 N 1.22 0.45 3.46 0.00 0.00 -1.26 -4.57 105.19 104.49 1umc n GLY 142 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1umc n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umc s LEU 143 N 0.00 2.68 -0.14 0.99 1.43 -1.18 -4.48 118.68 117.98 1umc s LEU 143 Ca 0.00 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1umc s LEU 143 Cb 0.00 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1umc s LEU 143 CO 0.00 0.34 0.13 -0.54 0.23 0.00 0.00 176.35 176.51 1umc s LYS 144 N -0.72 3.59 -0.12 1.70 1.02 -0.39 -4.82 119.74 119.99 1umc s LYS 144 Ca 0.11 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1umc s LYS 144 Cb -0.11 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1umc s LYS 144 CO 0.00 0.66 -0.20 0.08 -0.92 0.00 0.00 175.35 174.98 1umc s VAL 145 N -0.69 1.84 -0.05 3.17 1.01 -0.45 -0.17 120.40 125.05 1umc s VAL 145 Ca 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1umc s VAL 145 Cb -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1umc s VAL 145 CO 0.03 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1umc s VAL 146 N 0.77 1.21 -0.20 2.92 1.01 -0.32 -0.77 120.40 125.02 1umc s VAL 146 Ca -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1umc s VAL 146 Cb -0.16 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1umc s VAL 146 CO 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.44 1umc s ALA 147 N 0.38 1.49 0.32 5.51 0.00 0.04 0.37 121.76 129.87 1umc s ALA 147 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1umc s ALA 147 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1umc s ALA 147 CO 0.03 -1.05 0.50 0.14 0.00 0.00 0.00 175.76 175.38 1umc s VAL 148 N 1.62 5.14 0.00 0.00 -7.23 -1.12 -4.21 120.40 114.60 1umc s VAL 148 Ca -0.02 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1umc s VAL 148 Cb -0.17 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.91 1umc s VAL 148 CO -0.07 -0.50 0.21 -1.54 -0.31 0.00 0.00 175.10 172.89 1umc n SER 149 N -1.67 0.23 -4.02 4.85 3.41 -1.26 -4.31 113.62 110.84 1umc n SER 149 Ca -0.06 -1.04 -0.08 0.00 -0.26 0.00 0.00 58.87 57.43 1umc n SER 149 Cb 0.56 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.41 1umc n SER 149 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1umc s THR 150 N -0.04 0.16 0.32 6.66 -4.23 -1.26 -5.03 115.64 112.21 1umc s THR 150 Ca 0.00 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1umc s THR 150 Cb 0.00 -0.81 0.19 0.00 1.34 0.00 0.00 72.50 73.21 1umc s THR 150 CO 0.00 -0.71 1.89 -0.65 -0.54 0.00 0.00 174.62 174.61 1umc h PRO 151 N 3.98 0.71 -0.17 3.99 0.11 -1.89 -0.05 132.00 138.69 1umc h PRO 151 Ca -0.33 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1umc h PRO 151 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1umc h PRO 151 CO 0.52 0.62 0.10 -0.92 -0.21 0.00 0.00 178.00 178.11 1umc h TYR 152 N 0.70 0.23 -0.29 0.65 3.20 -1.91 -2.52 116.97 117.02 1umc h TYR 152 Ca 0.16 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1umc h TYR 152 Cb 0.20 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1umc h TYR 152 CO 0.01 0.21 -0.30 -0.44 -1.64 0.00 0.00 178.16 176.00 1umc h ASP 153 N 0.19 0.62 -0.10 -2.11 3.32 -1.91 -2.68 116.42 113.74 1umc h ASP 153 Ca 0.06 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1umc h ASP 153 Cb 0.05 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 1umc h ASP 153 CO -0.01 0.88 -0.33 0.00 -1.72 0.00 0.00 179.24 178.07 1umc h ALA 154 N 1.16 -0.41 0.12 3.45 0.00 -0.67 0.22 119.26 123.13 1umc h ALA 154 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1umc h ALA 154 Cb 0.78 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1umc h ALA 154 CO 0.06 -0.82 -0.06 -0.22 0.00 0.00 0.00 179.25 178.22 1umc h LYS 155 N -0.42 -0.16 -0.54 0.00 3.64 -1.46 -2.05 116.57 115.58 1umc h LYS 155 Ca 0.09 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1umc h LYS 155 Cb 0.56 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1umc h LYS 155 CO -0.33 0.12 0.29 0.78 -2.27 0.00 0.00 179.45 178.03 1umc h GLY 156 N -0.44 0.76 1.97 5.01 0.00 -1.30 -1.96 103.07 107.11 1umc h GLY 156 Ca -0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 1umc h GLY 156 CO 0.03 0.14 -0.93 1.41 0.00 0.00 0.00 176.54 177.18 1umc h LEU 157 N 0.55 0.04 -0.26 3.11 3.38 -0.62 -2.16 115.31 119.35 1umc h LEU 157 Ca 0.23 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1umc h LEU 157 Cb 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1umc h LEU 157 CO -0.15 0.95 -0.28 0.25 0.09 0.00 0.00 178.44 179.30 1umc h LEU 158 N 0.01 0.69 -0.85 1.67 5.85 -1.27 0.85 115.31 122.26 1umc h LEU 158 Ca -0.02 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1umc h LEU 158 Cb 1.63 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1umc h LEU 158 CO 0.12 1.03 0.55 0.11 -0.34 0.00 0.00 178.44 179.92 1umc h LYS 159 N 0.36 1.12 -0.04 1.25 1.57 -1.41 -0.43 116.57 118.99 1umc h LYS 159 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1umc h LYS 159 Cb 0.84 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1umc h LYS 159 CO 0.07 0.75 0.03 0.00 -0.57 0.00 0.00 179.45 179.72 1umc h ALA 160 N 1.30 0.06 -0.60 3.86 0.00 -1.15 -2.49 119.26 120.24 1umc h ALA 160 Ca 0.31 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1umc h ALA 160 Cb -0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1umc h ALA 160 CO -0.07 -0.45 0.26 0.00 0.00 0.00 0.00 179.25 179.00 1umc h ALA 161 N 1.01 0.78 0.00 0.00 0.00 -0.21 0.10 119.26 120.95 1umc h ALA 161 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1umc h ALA 161 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1umc h ALA 161 CO -0.00 -0.13 -0.12 0.82 0.00 0.00 0.00 179.25 179.82 1umc h ILE 162 N 0.47 0.85 0.00 0.00 2.04 -0.84 -2.12 117.51 117.91 1umc h ILE 162 Ca 0.29 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1umc h ILE 162 Cb 0.31 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1umc h ILE 162 CO -0.26 0.11 -1.10 0.03 0.00 0.00 0.00 178.15 176.93 1umc h ARG 163 N 0.00 0.00 -6.61 2.37 3.08 -0.81 -3.46 114.38 108.94 1umc h ARG 163 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1umc h ARG 163 Cb 0.24 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.32 1umc h ARG 163 CO 0.02 0.20 0.66 0.34 -1.07 0.00 0.00 179.97 180.12 1umc s ASP 164 N -5.74 6.90 0.00 7.04 -1.08 -0.09 -4.91 116.67 118.79 1umc s ASP 164 Ca -0.01 2.33 0.29 0.00 -0.52 0.00 0.00 52.55 54.65 1umc s ASP 164 Cb 0.09 -2.60 1.33 0.00 -1.46 0.00 0.00 42.92 40.27 1umc s ASP 164 CO 0.79 -0.56 1.97 -0.62 0.52 0.00 0.00 175.17 177.27 1umc n GLU 165 N 3.19 0.14 -3.41 4.34 -0.58 -1.26 -4.65 120.64 118.40 1umc n GLU 165 Ca 0.08 -0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 1umc n GLU 165 Cb 0.43 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 1umc n GLU 165 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1umc s ASP 166 N -2.86 6.77 0.20 1.62 1.01 -1.26 -3.06 116.67 119.09 1umc s ASP 166 Ca 0.19 1.00 -0.32 0.00 0.71 0.00 0.00 52.55 54.12 1umc s ASP 166 Cb 0.19 -2.26 -0.13 0.00 1.01 0.00 0.00 42.92 41.74 1umc s ASP 166 CO 0.51 0.10 1.66 -2.65 0.21 0.00 0.00 175.17 175.01 1umc n PRO 167 N 0.75 2.56 -4.43 8.23 -0.02 -1.20 -4.52 135.00 136.37 1umc n PRO 167 Ca -0.05 0.92 -0.28 0.00 -2.02 0.00 0.00 63.50 62.07 1umc n PRO 167 Cb 0.52 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 1umc n PRO 167 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1umc s VAL 168 N 0.97 1.45 -0.39 -1.45 1.01 -0.73 -1.26 120.40 119.99 1umc s VAL 168 Ca 0.75 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 1umc s VAL 168 Cb -0.56 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1umc s VAL 168 CO 0.36 0.43 0.35 -0.69 0.00 0.00 0.00 175.10 175.54 1umc s VAL 169 N 1.00 5.19 -0.46 2.92 1.01 0.76 -0.89 120.40 129.94 1umc s VAL 169 Ca -0.06 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1umc s VAL 169 Cb -0.15 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.39 1umc s VAL 169 CO -0.02 -0.24 0.37 0.12 0.00 0.00 0.00 175.10 175.33 1umc s PHE 170 N 1.91 3.25 -0.10 5.22 5.36 0.04 -1.18 117.98 132.48 1umc s PHE 170 Ca 0.09 -0.91 -0.16 0.00 -0.96 0.00 0.00 56.93 54.99 1umc s PHE 170 Cb -0.18 -3.04 -0.05 0.00 -0.34 0.00 0.00 43.02 39.41 1umc s PHE 170 CO 0.12 -0.76 0.40 -0.51 -1.46 0.00 0.00 175.22 173.01 1umc s LEU 171 N 1.63 4.32 -0.30 6.12 1.02 0.16 -1.85 118.68 129.78 1umc s LEU 171 Ca 0.04 0.77 0.03 0.00 0.02 0.00 0.00 54.13 54.99 1umc s LEU 171 Cb -0.23 -2.57 0.08 0.00 0.02 0.00 0.00 46.19 43.49 1umc s LEU 171 CO 0.07 0.12 -0.02 -1.61 0.02 0.00 0.00 176.35 174.94 1umc s GLU 172 N 0.08 1.79 -0.32 1.70 2.02 -0.22 -2.79 118.70 120.97 1umc s GLU 172 Ca 0.23 -1.64 -0.28 0.00 0.02 0.00 0.00 54.97 53.30 1umc s GLU 172 Cb -0.15 -3.05 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 1umc s GLU 172 CO 0.09 -0.78 2.29 -2.30 0.02 0.00 0.00 175.26 174.58 1umc n PRO 173 N 4.34 1.61 0.23 0.39 -0.02 -1.26 -0.87 135.00 139.41 1umc n PRO 173 Ca -0.04 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1umc n PRO 173 Cb 0.42 -3.21 0.63 0.00 -0.02 0.00 0.00 33.50 31.32 1umc n PRO 173 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1umc h LYS 174 N 16.11 0.04 0.00 -0.52 2.10 -1.60 -0.74 116.57 131.95 1umc h LYS 174 Ca -0.35 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1umc h LYS 174 Cb 1.26 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1umc h LYS 174 CO 1.03 0.03 0.00 0.07 -2.00 0.00 0.00 179.45 178.57 1umc h ARG 175 N 0.04 0.00 -0.24 0.07 0.11 -1.82 -1.49 114.38 111.06 1umc h ARG 175 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1umc h ARG 175 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1umc h ARG 175 CO -0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1umc n LEU 176 N -2.98 3.14 -0.14 0.08 4.77 -0.29 -4.20 117.00 117.39 1umc n LEU 176 Ca -0.01 -1.24 0.17 0.00 -0.03 0.00 0.00 56.01 54.90 1umc n LEU 176 Cb 0.19 -0.15 0.55 0.00 -2.33 0.00 0.00 43.42 41.69 1umc n LEU 176 CO 0.23 0.62 1.21 1.88 -1.33 0.00 0.00 177.39 180.00 1umc h TYR 177 N 4.37 0.37 0.00 -1.77 0.05 -1.22 -3.17 116.97 115.61 1umc h TYR 177 Ca 0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1umc h TYR 177 Cb 0.95 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 38.49 1umc h TYR 177 CO 0.15 0.14 -0.53 0.54 -1.05 0.00 0.00 178.16 177.40 1umc n ARG 178 N -4.45 0.00 0.27 4.88 1.74 -1.26 -2.11 116.66 115.72 1umc n ARG 178 Ca 0.14 -1.07 0.10 0.00 -0.77 0.00 0.00 57.85 56.25 1umc n ARG 178 Cb 0.57 -0.31 0.71 0.00 -1.02 0.00 0.00 32.46 32.41 1umc n ARG 178 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1umc h SER 179 N 0.19 0.00 -4.93 0.55 4.64 -1.71 -3.45 113.55 108.83 1umc h SER 179 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1umc h SER 179 Cb 1.45 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.39 1umc h SER 179 CO 0.01 0.03 0.25 0.54 -0.87 0.00 0.00 176.83 176.79 1umc s VAL 180 N -4.83 0.00 -0.63 0.95 0.11 -1.26 -5.11 120.40 109.62 1umc s VAL 180 Ca -0.05 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1umc s VAL 180 Cb 0.16 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.17 1umc s VAL 180 CO 0.63 0.00 0.47 -0.54 -3.33 0.00 0.00 175.10 172.33 1umc s LYS 181 N -3.01 2.67 0.55 1.54 1.02 -1.26 -4.18 119.74 117.07 1umc s LYS 181 Ca -0.01 -2.45 -0.02 0.00 0.02 0.00 0.00 55.97 53.50 1umc s LYS 181 Cb -0.01 -3.83 0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1umc s LYS 181 CO -0.07 -1.19 0.81 -2.00 -0.92 0.00 0.00 175.35 171.98 1umc s GLU 182 N 0.09 2.81 -0.08 1.68 2.12 -0.88 -4.50 118.70 119.94 1umc s GLU 182 Ca 0.16 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1umc s GLU 182 Cb -0.19 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.77 1umc s GLU 182 CO -0.04 -0.62 1.16 -2.00 -0.54 0.00 0.00 175.26 173.22 1umc s GLU 183 N -4.82 4.35 -0.16 4.30 2.56 -1.26 -1.04 118.70 122.63 1umc s GLU 183 Ca 0.53 1.60 -0.01 0.00 0.00 0.00 0.00 54.97 57.08 1umc s GLU 183 Cb -0.10 -3.58 0.05 0.00 2.00 0.00 0.00 34.13 32.50 1umc s GLU 183 CO 0.41 -0.45 -0.01 0.08 -0.56 0.00 0.00 175.26 174.73 1umc s VAL 184 N 2.33 0.78 0.26 3.70 1.01 0.20 -4.63 120.40 124.06 1umc s VAL 184 Ca 0.54 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1umc s VAL 184 Cb -0.23 -1.09 -0.13 0.00 0.00 0.00 0.00 36.38 34.93 1umc s VAL 184 CO 0.20 0.01 1.40 -2.65 0.00 0.00 0.00 175.10 174.06 1umc n PRO 185 N 4.98 2.09 0.15 2.72 -0.02 -1.26 -1.35 135.00 142.31 1umc n PRO 185 Ca -0.10 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1umc n PRO 185 Cb 0.48 -2.40 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 1umc n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1umc h GLU 186 N 4.03 0.00 -7.34 -0.52 5.08 -2.00 -3.46 114.58 110.37 1umc h GLU 186 Ca -0.45 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.41 1umc h GLU 186 Cb 1.27 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.65 1umc h GLU 186 CO 0.74 0.00 0.30 -1.83 -1.00 0.00 0.00 179.01 177.22 1umc s GLU 187 N -3.17 1.86 -0.15 2.33 -1.05 -1.26 -4.97 118.70 112.29 1umc s GLU 187 Ca 0.08 0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 55.52 1umc s GLU 187 Cb 0.09 -1.87 -0.01 0.00 -0.44 0.00 0.00 34.13 31.90 1umc s GLU 187 CO 0.65 -1.84 1.13 0.34 0.95 0.00 0.00 175.26 176.49 1umc s ASP 188 N -3.53 7.07 0.06 0.83 -1.08 -1.26 -5.01 116.67 113.74 1umc s ASP 188 Ca 0.62 1.59 -0.15 0.00 -0.52 0.00 0.00 52.55 54.08 1umc s ASP 188 Cb -0.17 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.77 1umc s ASP 188 CO 0.56 -0.64 0.35 -0.72 0.52 0.00 0.00 175.17 175.24 1umc s TYR 189 N 2.90 -0.16 0.36 -5.34 1.13 -1.26 -5.18 117.35 109.79 1umc s TYR 189 Ca 0.50 0.00 0.03 0.00 -1.41 0.00 0.00 57.07 56.20 1umc s TYR 189 Cb -0.19 0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1umc s TYR 189 CO 0.14 -0.57 0.09 0.95 -2.51 0.00 0.00 175.55 173.65 1umc s THR 190 N -2.88 0.88 0.07 -3.49 -4.23 -1.26 -4.54 115.64 100.19 1umc s THR 190 Ca -0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1umc s THR 190 Cb 0.00 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1umc s THR 190 CO -0.05 0.00 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.13 1umc s LEU 191 N -3.53 2.29 -0.05 4.79 1.43 -0.87 -4.93 118.68 117.82 1umc s LEU 191 Ca 0.31 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1umc s LEU 191 Cb 0.06 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1umc s LEU 191 CO 0.15 -0.10 1.18 -2.16 0.23 0.00 0.00 176.35 175.64 1umc s PRO 192 N -1.85 4.37 0.08 1.29 0.04 -1.26 -4.66 135.00 133.00 1umc s PRO 192 Ca -0.02 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1umc s PRO 192 Cb -0.09 -3.54 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 1umc s PRO 192 CO 0.02 -0.41 1.12 0.42 0.04 0.00 0.00 177.00 178.19 1umc s ILE 193 N 2.07 4.18 0.00 0.56 1.01 -1.26 -3.22 121.20 124.54 1umc s ILE 193 Ca 0.55 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1umc s ILE 193 Cb -0.24 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1umc s ILE 193 CO 0.22 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1umc n GLY 194 N 2.84 0.83 3.14 6.18 0.00 -1.26 -4.99 105.19 111.93 1umc n GLY 194 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1umc n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umc s LYS 195 N -0.79 2.89 0.92 1.61 -0.14 -1.20 -3.54 119.74 119.49 1umc s LYS 195 Ca 0.00 -0.81 -0.12 0.00 -1.36 0.00 0.00 55.97 53.69 1umc s LYS 195 Cb 0.00 -2.38 0.14 0.00 -1.68 0.00 0.00 37.83 33.92 1umc s LYS 195 CO 0.00 -0.06 1.09 0.00 -0.76 0.00 0.00 175.35 175.63 1umc s ALA 196 N 0.93 1.41 -0.12 5.17 0.00 -1.23 -4.60 121.76 123.32 1umc s ALA 196 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1umc s ALA 196 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1umc s ALA 196 CO -0.04 -2.46 -0.18 0.00 0.00 0.00 0.00 175.76 173.08 1umc s ALA 197 N -2.95 1.91 -0.30 0.00 0.00 0.12 -4.98 121.76 115.56 1umc s ALA 197 Ca 0.64 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 1umc s ALA 197 Cb -0.18 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1umc s ALA 197 CO 0.57 -0.04 0.99 -1.17 0.00 0.00 0.00 175.76 176.11 1umc s LEU 198 N 0.88 4.00 -0.13 0.00 1.98 -1.26 -1.16 118.68 122.99 1umc s LEU 198 Ca -0.08 0.98 0.03 0.00 -2.89 0.00 0.00 54.13 52.18 1umc s LEU 198 Cb -0.15 -3.41 -0.24 0.00 0.66 0.00 0.00 46.19 43.06 1umc s LEU 198 CO -0.01 -0.77 0.31 0.54 -1.89 0.00 0.00 176.35 174.53 1umc n ARG 199 N 6.60 0.70 -3.74 1.98 5.12 -0.03 -4.93 116.66 122.35 1umc n ARG 199 Ca 0.10 0.22 -0.13 0.00 -1.93 0.00 0.00 57.85 56.11 1umc n ARG 199 Cb 0.47 -1.68 -0.14 0.00 -1.16 0.00 0.00 32.46 29.96 1umc n ARG 199 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1umc s ARG 200 N -2.55 0.13 -0.09 5.56 0.52 -1.07 -4.91 118.95 116.53 1umc s ARG 200 Ca -0.18 0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 1umc s ARG 200 Cb 0.07 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 1umc s ARG 200 CO 0.76 -0.16 0.55 -2.00 0.02 0.00 0.00 175.30 174.47 1umc s GLU 201 N 1.18 4.36 0.33 3.54 2.12 -1.26 -0.23 118.70 128.74 1umc s GLU 201 Ca -0.09 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.77 1umc s GLU 201 Cb -0.11 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1umc s GLU 201 CO -0.07 0.16 0.51 0.20 -0.54 0.00 0.00 175.26 175.52 1umc s GLY 202 N 0.59 1.16 0.00 -1.50 0.00 -1.26 -4.66 107.32 101.66 1umc s GLY 202 Ca 0.29 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1umc s GLY 202 CO 0.13 -0.85 0.00 0.58 0.00 0.00 0.00 173.10 172.96 1umc n LYS 203 N -0.52 0.00 -0.01 2.90 2.85 -0.63 -4.53 118.16 118.22 1umc n LYS 203 Ca -0.01 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1umc n LYS 203 Cb 0.61 -0.42 -0.15 0.00 -0.65 0.00 0.00 35.03 34.42 1umc n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1umc n ASP 204 N 0.00 0.42 -3.58 -5.58 8.00 0.20 -4.26 116.55 111.76 1umc n ASP 204 Ca 0.00 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1umc n ASP 204 Cb 0.22 1.89 -0.06 0.00 -0.02 0.00 0.00 41.12 43.15 1umc n ASP 204 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1umc s LEU 205 N -4.35 -0.58 -0.14 0.64 2.96 -1.21 -4.71 118.68 111.29 1umc s LEU 205 Ca -0.07 0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 54.65 1umc s LEU 205 Cb 0.13 2.25 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 1umc s LEU 205 CO 0.84 -0.39 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.54 1umc s THR 206 N -0.57 3.77 -0.32 3.68 2.01 0.16 0.09 115.64 124.45 1umc s THR 206 Ca -0.04 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1umc s THR 206 Cb -0.02 -2.63 0.07 0.00 0.01 0.00 0.00 72.50 69.93 1umc s THR 206 CO 0.03 0.51 0.02 -0.76 -0.69 0.00 0.00 174.62 173.74 1umc s LEU 207 N 0.17 4.19 -0.22 4.42 1.43 0.10 -1.14 118.68 127.63 1umc s LEU 207 Ca -0.03 -1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 51.41 1umc s LEU 207 Cb -0.14 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1umc s LEU 207 CO 0.03 -0.32 0.16 -0.63 0.23 0.00 0.00 176.35 175.82 1umc s ILE 208 N 1.16 5.38 0.20 -0.59 1.01 -0.53 -0.35 121.20 127.46 1umc s ILE 208 Ca -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 1umc s ILE 208 Cb -0.20 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1umc s ILE 208 CO -0.03 0.38 0.48 0.00 0.00 0.00 0.00 174.94 175.77 1umc s TYR 210 N -4.83 -0.07 0.00 0.00 -0.85 -1.26 -1.48 117.35 108.86 1umc s TYR 210 Ca 0.10 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1umc s TYR 210 Cb -0.03 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1umc s TYR 210 CO 0.06 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.23 1umc n GLY 211 N -0.37 2.53 0.27 5.49 0.00 -1.26 -3.66 105.19 108.19 1umc n GLY 211 Ca -0.06 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1umc n GLY 211 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1umc n THR 212 N 0.00 -0.32 1.50 2.61 -1.04 -1.26 -1.77 114.28 114.00 1umc n THR 212 Ca 0.00 1.70 0.15 0.00 -2.04 0.00 0.00 64.05 63.85 1umc n THR 212 Cb 0.00 -2.48 0.70 0.00 -1.82 0.00 0.00 70.33 66.74 1umc n THR 212 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1umc n VAL 213 N -5.08 0.00 -0.31 12.58 0.24 -1.24 -4.37 118.33 120.15 1umc n VAL 213 Ca 0.18 -0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 1umc n VAL 213 Cb 0.59 -0.26 0.31 0.00 -1.47 0.00 0.00 33.84 33.01 1umc n VAL 213 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1umc h MET 214 N 0.37 0.43 -0.08 7.34 2.86 -1.54 -1.94 114.93 122.38 1umc h MET 214 Ca 0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1umc h MET 214 Cb 0.29 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 1umc h MET 214 CO 0.00 0.28 -0.23 -1.35 1.06 0.00 0.00 176.91 176.68 1umc h PRO 215 N 0.44 -0.30 -0.40 -0.22 0.11 -1.84 0.82 132.00 130.60 1umc h PRO 215 Ca 0.56 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.60 1umc h PRO 215 Cb 1.05 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1umc h PRO 215 CO -0.51 -0.20 -0.15 0.93 -0.21 0.00 0.00 178.00 177.86 1umc h GLU 216 N -0.32 0.74 0.25 1.05 3.07 -1.77 -2.11 114.58 115.50 1umc h GLU 216 Ca 0.08 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1umc h GLU 216 Cb 0.44 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1umc h GLU 216 CO -0.26 0.85 -0.12 0.28 -1.40 0.00 0.00 179.01 178.36 1umc h VAL 217 N 0.67 0.80 -0.99 3.13 2.07 -0.97 0.20 116.25 121.15 1umc h VAL 217 Ca 0.11 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1umc h VAL 217 Cb 0.63 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1umc h VAL 217 CO 0.04 0.09 0.64 -0.07 0.02 0.00 0.00 177.57 178.29 1umc h LEU 218 N -0.55 1.01 -0.87 2.57 3.38 -0.85 0.80 115.31 120.80 1umc h LEU 218 Ca -0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1umc h LEU 218 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1umc h LEU 218 CO 0.06 0.64 -0.38 -0.61 0.09 0.00 0.00 178.44 178.23 1umc h GLN 219 N 1.14 0.36 -0.49 1.13 4.15 -1.21 -1.22 115.11 118.96 1umc h GLN 219 Ca 0.43 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 1umc h GLN 219 Cb 0.20 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1umc h GLN 219 CO -0.18 0.69 -0.08 0.00 -1.93 0.00 0.00 178.83 177.34 1umc h ALA 220 N 1.29 0.93 0.05 3.38 0.00 0.12 -1.56 119.26 123.48 1umc h ALA 220 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1umc h ALA 220 Cb 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1umc h ALA 220 CO 0.07 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 1umc h ALA 221 N 1.11 -0.07 -0.77 0.00 0.00 -0.45 -1.40 119.26 117.68 1umc h ALA 221 Ca 0.14 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1umc h ALA 221 Cb 0.59 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1umc h ALA 221 CO 0.04 -0.46 0.38 0.00 0.00 0.00 0.00 179.25 179.20 1umc h ALA 222 N 0.72 1.09 0.00 0.00 0.00 -1.01 0.77 119.26 120.83 1umc h ALA 222 Ca -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1umc h ALA 222 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1umc h ALA 222 CO 0.01 -0.07 -0.24 0.93 0.00 0.00 0.00 179.25 179.87 1umc h GLU 223 N 0.60 0.00 -0.02 0.00 5.08 -1.08 -2.47 114.58 116.68 1umc h GLU 223 Ca 0.40 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.59 1umc h GLU 223 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1umc h GLU 223 CO -0.32 0.24 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.14 1umc h LEU 224 N 0.00 0.19 0.06 1.33 3.38 0.23 -2.99 115.31 117.50 1umc h LEU 224 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1umc h LEU 224 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1umc h LEU 224 CO 0.03 0.85 -0.03 0.00 0.09 0.00 0.00 178.44 179.38 1umc h ALA 225 N 1.15 -0.07 -0.24 1.53 0.00 -0.73 0.46 119.26 121.35 1umc h ALA 225 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1umc h ALA 225 Cb 1.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1umc h ALA 225 CO 0.11 -0.42 0.23 0.87 0.00 0.00 0.00 179.25 180.03 1umc h LYS 226 N -0.32 0.00 -0.35 0.00 1.57 -1.50 0.23 116.57 116.20 1umc h LYS 226 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1umc h LYS 226 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1umc h LYS 226 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1umc n ALA 227 N -2.41 2.46 -0.62 3.86 0.00 -0.93 -4.93 120.51 117.94 1umc n ALA 227 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1umc n ALA 227 Cb 0.37 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1umc n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1umc n GLY 228 N 1.25 0.78 3.69 0.00 0.00 0.81 -5.05 105.19 106.68 1umc n GLY 228 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1umc n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1umc s VAL 229 N -2.92 5.34 -0.67 1.61 1.01 0.16 -4.97 120.40 119.95 1umc s VAL 229 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1umc s VAL 229 Cb 0.00 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.98 1umc s VAL 229 CO 0.00 0.36 0.70 -0.55 0.00 0.00 0.00 175.10 175.62 1umc s SER 230 N 0.76 6.39 -0.08 3.32 0.15 -1.26 -2.85 113.70 120.13 1umc s SER 230 Ca 0.11 -1.94 -0.10 0.00 0.70 0.00 0.00 55.95 54.71 1umc s SER 230 Cb -0.13 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1umc s SER 230 CO 0.03 -0.89 0.24 0.00 1.20 0.00 0.00 173.24 173.83 1umc s ALA 231 N 1.67 3.80 -0.25 5.45 0.00 -1.26 -0.62 121.76 130.55 1umc s ALA 231 Ca 0.13 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1umc s ALA 231 Cb -0.20 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1umc s ALA 231 CO -0.00 0.54 0.27 -2.00 0.00 0.00 0.00 175.76 174.57 1umc s GLU 232 N -0.97 4.06 -0.24 0.00 2.12 0.11 -4.02 118.70 119.76 1umc s GLU 232 Ca 0.18 -0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.31 1umc s GLU 232 Cb -0.14 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 1umc s GLU 232 CO 0.07 -0.09 0.14 0.08 -0.54 0.00 0.00 175.26 174.93 1umc s VAL 233 N 1.50 5.15 -0.20 3.70 1.01 0.68 0.02 120.40 132.25 1umc s VAL 233 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1umc s VAL 233 Cb -0.15 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1umc s VAL 233 CO 0.08 0.34 -0.15 -0.22 0.00 0.00 0.00 175.10 175.15 1umc s LEU 234 N 1.21 2.45 -0.49 3.92 2.96 0.52 -0.85 118.68 128.40 1umc s LEU 234 Ca 0.07 -0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 52.93 1umc s LEU 234 Cb -0.14 -1.40 0.07 0.00 0.50 0.00 0.00 46.19 45.21 1umc s LEU 234 CO 0.05 -0.09 0.50 -0.62 -1.32 0.00 0.00 176.35 174.88 1umc s ASP 235 N 1.29 6.18 0.38 3.68 2.15 -0.31 -1.49 116.67 128.55 1umc s ASP 235 Ca -0.00 -1.13 0.09 0.00 0.43 0.00 0.00 52.55 51.94 1umc s ASP 235 Cb -0.16 -2.23 0.84 0.00 -0.30 0.00 0.00 42.92 41.07 1umc s ASP 235 CO -0.10 -0.76 1.93 -0.07 -0.17 0.00 0.00 175.17 176.00 1umc h LEU 236 N 9.20 0.59 0.00 -1.34 3.38 -1.53 0.34 115.31 125.95 1umc h LEU 236 Ca -0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1umc h LEU 236 Cb 1.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1umc h LEU 236 CO 0.92 0.35 0.00 0.54 0.09 0.00 0.00 178.44 180.34 1umc n ARG 237 N -4.50 0.00 -3.69 1.13 1.74 -1.26 -3.57 116.66 106.52 1umc n ARG 237 Ca 0.13 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 1umc n ARG 237 Cb 0.35 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 1umc n ARG 237 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1umc s THR 238 N 0.00 4.99 -0.22 0.55 2.01 -1.26 -0.78 115.64 120.93 1umc s THR 238 Ca 0.00 0.06 0.20 0.00 0.31 0.00 0.00 61.69 62.25 1umc s THR 238 Cb 0.00 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1umc s THR 238 CO 0.00 0.31 1.12 -0.07 -0.69 0.00 0.00 174.62 175.29 1umc h LEU 239 N 8.04 0.00 -6.42 4.42 3.38 -1.23 -3.36 115.31 120.14 1umc h LEU 239 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1umc h LEU 239 Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.69 1umc h LEU 239 CO 0.59 0.25 -0.33 -0.32 0.09 0.00 0.00 178.44 178.71 1umc s MET 240 N -3.15 0.47 0.03 1.13 0.00 -1.03 -3.49 119.30 113.26 1umc s MET 240 Ca 0.01 0.92 -0.28 0.00 0.00 0.00 0.00 55.69 56.34 1umc s MET 240 Cb 0.08 0.24 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 1umc s MET 240 CO 0.77 -0.52 0.89 -1.25 0.00 0.00 0.00 175.02 174.91 1umc s PRO 241 N 2.73 4.57 0.47 4.11 0.04 -1.26 -1.34 135.00 144.32 1umc s PRO 241 Ca 0.12 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1umc s PRO 241 Cb -0.14 -3.41 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 1umc s PRO 241 CO -0.18 0.11 0.90 1.67 0.04 0.00 0.00 177.00 179.54 1umc s TRP 242 N 0.46 3.45 -1.08 0.56 1.48 -1.23 -4.26 118.94 118.33 1umc s TRP 242 Ca 0.46 1.31 -0.24 0.00 -1.06 0.00 0.00 56.10 56.57 1umc s TRP 242 Cb -0.21 -2.66 -0.15 0.00 -1.16 0.00 0.00 33.47 29.28 1umc s TRP 242 CO 0.26 -0.25 1.98 -3.47 -4.06 0.00 0.00 176.95 171.40 1umc n ASP 243 N -1.42 2.40 -0.17 -2.66 -0.08 -1.23 -4.80 116.55 108.60 1umc n ASP 243 Ca 0.05 -2.62 -0.02 0.00 -1.51 0.00 0.00 54.79 50.69 1umc n ASP 243 Cb 0.54 -1.65 0.08 0.00 2.34 0.00 0.00 41.12 42.43 1umc n ASP 243 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1umc h TYR 244 N 10.21 0.28 0.42 -0.67 3.20 -1.92 -2.43 116.97 126.06 1umc h TYR 244 Ca 0.17 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1umc h TYR 244 Cb 0.93 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1umc h TYR 244 CO 1.14 0.06 -0.20 0.93 -1.64 0.00 0.00 178.16 178.44 1umc h GLU 245 N 0.32 -0.55 -0.67 1.82 4.39 -1.97 -1.41 114.58 116.52 1umc h GLU 245 Ca 0.26 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.13 1umc h GLU 245 Cb 0.32 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.00 1umc h GLU 245 CO -0.29 -0.35 0.16 0.00 -1.16 0.00 0.00 179.01 177.36 1umc h ALA 246 N -0.01 0.83 0.38 3.43 0.00 -1.93 0.14 119.26 122.09 1umc h ALA 246 Ca -0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1umc h ALA 246 Cb 0.45 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1umc h ALA 246 CO 0.10 -0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.14 1umc h VAL 247 N 0.28 0.62 -0.94 0.00 2.07 -1.28 -2.64 116.25 114.36 1umc h VAL 247 Ca 0.36 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1umc h VAL 247 Cb 0.57 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1umc h VAL 247 CO -0.45 0.07 0.60 0.24 0.02 0.00 0.00 177.57 178.05 1umc h MET 248 N -0.71 1.26 0.46 1.57 2.07 -0.91 -1.82 114.93 116.86 1umc h MET 248 Ca -0.05 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.47 1umc h MET 248 Cb 0.50 -0.28 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1umc h MET 248 CO 0.08 0.86 -0.27 -0.91 1.07 0.00 0.00 176.91 177.74 1umc h ASN 249 N 1.29 -0.68 0.03 1.22 -0.26 -0.99 0.25 115.58 116.43 1umc h ASN 249 Ca 0.34 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 56.15 1umc h ASN 249 Cb -0.11 0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 1umc h ASN 249 CO -0.07 -0.44 -0.25 -1.28 -1.06 0.00 0.00 177.43 174.34 1umc h SER 250 N -0.70 -0.72 -0.64 5.81 0.87 -1.27 -1.04 113.55 115.87 1umc h SER 250 Ca -0.05 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1umc h SER 250 Cb 0.56 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1umc h SER 250 CO 0.06 -0.32 0.42 0.58 -0.53 0.00 0.00 176.83 177.04 1umc h VAL 251 N -0.40 1.14 -0.26 2.23 2.07 -1.25 -0.58 116.25 119.21 1umc h VAL 251 Ca 0.05 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1umc h VAL 251 Cb 0.47 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1umc h VAL 251 CO -0.20 0.15 0.10 0.00 0.02 0.00 0.00 177.57 177.64 1umc h ALA 252 N 1.61 0.30 0.08 1.67 0.00 0.32 0.39 119.26 123.61 1umc h ALA 252 Ca 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1umc h ALA 252 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1umc h ALA 252 CO -0.06 -0.30 -0.04 -0.22 0.00 0.00 0.00 179.25 178.63 1umc h LYS 253 N 0.23 -0.10 -0.80 0.00 3.64 -0.23 -3.33 116.57 115.98 1umc h LYS 253 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1umc h LYS 253 Cb 0.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1umc h LYS 253 CO -0.10 -0.07 0.45 1.79 -2.27 0.00 0.00 179.45 179.25 1umc h THR 254 N -0.12 1.23 0.00 1.00 1.35 -1.18 -3.47 112.91 111.73 1umc h THR 254 Ca -0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1umc h THR 254 Cb 0.08 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.64 1umc h THR 254 CO 0.02 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1umc n GLY 255 N -1.22 2.50 2.88 5.82 0.00 0.14 -4.68 105.19 110.62 1umc n GLY 255 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1umc n GLY 255 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1umc s ARG 256 N -0.17 0.05 0.05 1.61 1.70 -1.26 0.31 118.95 121.25 1umc s ARG 256 Ca 0.00 0.27 0.04 0.00 -0.47 0.00 0.00 55.73 55.57 1umc s ARG 256 Cb 0.00 -0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1umc s ARG 256 CO 0.00 -0.14 -0.13 0.54 -1.08 0.00 0.00 175.30 174.49 1umc s VAL 257 N 0.95 0.99 -0.09 4.99 0.11 -1.26 -0.67 120.40 125.42 1umc s VAL 257 Ca -0.08 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1umc s VAL 257 Cb -0.10 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1umc s VAL 257 CO -0.04 -0.18 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.79 1umc s VAL 258 N -1.13 0.93 -0.18 2.04 1.01 -0.29 -2.06 120.40 120.71 1umc s VAL 258 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1umc s VAL 258 Cb -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1umc s VAL 258 CO 0.02 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.74 1umc s LEU 259 N 1.36 3.69 -0.05 3.92 1.02 0.80 -1.45 118.68 127.96 1umc s LEU 259 Ca -0.02 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.20 1umc s LEU 259 Cb -0.14 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.14 1umc s LEU 259 CO -0.04 0.15 -0.22 -0.69 0.02 0.00 0.00 176.35 175.58 1umc s VAL 260 N 0.48 1.83 -0.06 -1.59 1.01 0.03 0.06 120.40 122.16 1umc s VAL 260 Ca 0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1umc s VAL 260 Cb -0.13 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1umc s VAL 260 CO 0.01 0.51 0.78 -0.55 0.00 0.00 0.00 175.10 175.85 1umc s SER 261 N -0.08 -0.55 0.00 3.32 0.15 -0.60 -4.16 113.70 111.79 1umc s SER 261 Ca -0.04 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.40 1umc s SER 261 Cb -0.13 0.47 0.80 0.00 -1.71 0.00 0.00 66.02 65.45 1umc s SER 261 CO 0.03 -0.56 1.60 -0.90 1.20 0.00 0.00 173.24 174.61 1umc n ASP 262 N 0.68 1.64 -4.79 5.45 5.75 -1.26 -2.58 116.55 121.44 1umc n ASP 262 Ca -0.16 -1.43 -0.35 0.00 -0.01 0.00 0.00 54.79 52.84 1umc n ASP 262 Cb 0.58 0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.71 1umc n ASP 262 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1umc s ALA 263 N -2.14 2.84 0.43 2.12 0.00 -1.26 -3.78 121.76 119.97 1umc s ALA 263 Ca 0.32 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1umc s ALA 263 Cb 0.20 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.92 1umc s ALA 263 CO 0.39 -0.47 0.90 -2.30 0.00 0.00 0.00 175.76 174.28 1umc n PRO 264 N -0.95 1.13 0.34 0.00 -0.02 -1.26 -1.42 135.00 132.83 1umc n PRO 264 Ca 0.09 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1umc n PRO 264 Cb 0.51 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1umc n PRO 264 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1umc h ARG 265 N 1.29 -0.83 -6.21 -0.52 2.43 -1.58 -3.38 114.38 105.58 1umc h ARG 265 Ca -0.44 0.06 -0.69 0.00 -0.81 0.00 0.00 59.98 58.10 1umc h ARG 265 Cb 1.35 0.19 0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1umc h ARG 265 CO 0.55 -0.56 0.92 0.72 -1.51 0.00 0.00 179.97 180.09 1umc n HIS 266 N -4.32 2.10 -2.72 2.20 8.25 -1.26 -1.52 115.22 117.95 1umc n HIS 266 Ca -0.11 0.37 -0.20 0.00 -0.26 0.00 0.00 57.72 57.52 1umc n HIS 266 Cb 0.34 -2.52 0.01 0.00 1.12 0.00 0.00 29.99 28.94 1umc n HIS 266 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1umc n ALA 267 N 5.42 -0.82 -1.95 -1.41 0.00 -1.26 -4.98 120.51 115.51 1umc n ALA 267 Ca 0.24 0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.59 1umc n ALA 267 Cb 0.19 -2.75 0.18 0.00 0.00 0.00 0.00 19.45 17.07 1umc n ALA 267 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1umc s SER 268 N -2.34 3.30 0.09 0.00 1.04 -0.57 -4.92 113.70 110.30 1umc s SER 268 Ca 0.15 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 1umc s SER 268 Cb -0.07 -0.15 -0.12 0.00 0.10 0.00 0.00 66.02 65.78 1umc s SER 268 CO 0.18 -2.60 1.35 0.15 0.98 0.00 0.00 173.24 173.30 1umc h PHE 269 N -1.43 0.93 0.00 5.02 3.57 -1.88 -2.88 116.94 120.27 1umc h PHE 269 Ca -0.42 -0.35 -0.03 0.00 3.53 0.00 0.00 57.97 60.70 1umc h PHE 269 Cb 1.23 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1umc h PHE 269 CO -1.03 1.14 -0.14 -0.39 -2.23 0.00 0.00 178.31 175.66 1umc h VAL 270 N 0.45 0.57 -0.24 1.41 -1.51 -1.94 -0.39 116.25 114.60 1umc h VAL 270 Ca 0.00 -0.63 -0.10 0.00 -1.23 0.00 0.00 66.70 64.74 1umc h VAL 270 Cb 1.11 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1umc h VAL 270 CO 0.11 0.14 -0.27 0.28 -1.23 0.00 0.00 177.57 176.60 1umc h SER 271 N 0.00 0.46 0.06 4.19 0.02 -1.81 0.06 113.55 116.52 1umc h SER 271 Ca -0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1umc h SER 271 Cb 0.40 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1umc h SER 271 CO 0.02 0.72 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.32 1umc h GLU 272 N 0.40 -0.07 -0.57 3.45 4.57 -0.88 -0.62 114.58 120.84 1umc h GLU 272 Ca 0.06 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1umc h GLU 272 Cb 0.68 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1umc h GLU 272 CO 0.05 0.25 0.33 0.28 -1.18 0.00 0.00 179.01 178.74 1umc h VAL 273 N -0.41 1.18 -0.46 0.32 2.07 -1.32 -1.09 116.25 116.54 1umc h VAL 273 Ca -0.01 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1umc h VAL 273 Cb 0.36 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1umc h VAL 273 CO 0.01 0.19 0.30 0.00 0.02 0.00 0.00 177.57 178.10 1umc h ALA 274 N 1.16 0.59 -0.19 1.67 0.00 -0.93 1.00 119.26 122.55 1umc h ALA 274 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1umc h ALA 274 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1umc h ALA 274 CO -0.04 0.03 -0.14 0.00 0.00 0.00 0.00 179.25 179.10 1umc h ALA 275 N 1.17 1.40 -0.02 0.00 0.00 -0.83 -1.84 119.26 119.14 1umc h ALA 275 Ca 0.17 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1umc h ALA 275 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1umc h ALA 275 CO -0.04 0.41 -0.80 1.15 0.00 0.00 0.00 179.25 179.97 1umc h THR 276 N 0.30 1.47 -0.30 0.00 2.02 -0.53 -2.20 112.91 113.65 1umc h THR 276 Ca 0.06 -2.44 -0.07 0.00 0.77 0.00 0.00 66.41 64.73 1umc h THR 276 Cb 0.44 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1umc h THR 276 CO 0.03 0.71 -0.09 0.40 0.37 0.00 0.00 175.52 176.94 1umc h ILE 277 N 0.13 1.28 0.00 3.11 2.04 -0.33 -1.92 117.51 121.82 1umc h ILE 277 Ca -0.03 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1umc h ILE 277 Cb 1.39 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1umc h ILE 277 CO 0.12 0.37 -0.23 0.00 0.00 0.00 0.00 178.15 178.41 1umc h ALA 278 N 0.78 1.49 0.09 1.87 0.00 -1.32 0.47 119.26 122.65 1umc h ALA 278 Ca 0.07 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 1umc h ALA 278 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1umc h ALA 278 CO 0.03 0.28 -1.27 1.49 0.00 0.00 0.00 179.25 179.79 1umc h GLU 279 N 0.00 0.20 0.00 0.00 4.81 -1.19 -3.30 114.58 115.10 1umc h GLU 279 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1umc h GLU 279 Cb 0.44 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1umc h GLU 279 CO 0.03 1.12 -1.46 -0.25 -0.73 0.00 0.00 179.01 177.72 1umc n ASP 280 N -3.46 1.24 -1.97 1.04 8.00 -0.74 -4.68 116.55 115.98 1umc n ASP 280 Ca -0.09 -0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.16 1umc n ASP 280 Cb 1.01 1.53 0.06 0.00 -0.02 0.00 0.00 41.12 43.70 1umc n ASP 280 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1umc n LEU 281 N -1.87 2.34 -0.30 0.64 4.77 0.15 -4.85 117.00 117.88 1umc n LEU 281 Ca -0.01 -3.28 0.02 0.00 -0.03 0.00 0.00 56.01 52.72 1umc n LEU 281 Cb 0.36 0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 1umc n LEU 281 CO 0.32 1.19 1.17 0.25 -1.33 0.00 0.00 177.39 178.99 1umc h LEU 282 N 1.85 0.75 -2.52 2.23 5.85 -1.66 -0.62 115.31 121.19 1umc h LEU 282 Ca -0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1umc h LEU 282 Cb 1.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1umc h LEU 282 CO 0.26 0.44 0.00 -2.24 -0.34 0.00 0.00 178.44 176.56 1umc h ASP 283 N 0.87 0.00 -0.01 1.25 2.03 -1.91 -2.14 116.42 116.50 1umc h ASP 283 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1umc h ASP 283 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1umc h ASP 283 CO -0.22 0.00 -0.52 0.23 -1.03 0.00 0.00 179.24 177.70 1umc n MET 284 N -2.98 1.14 -2.80 4.15 2.81 -0.26 -4.95 117.12 114.23 1umc n MET 284 Ca -0.02 -0.90 -0.42 0.00 -1.81 0.00 0.00 57.70 54.55 1umc n MET 284 Cb 0.11 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1umc n MET 284 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1umc s LEU 285 N -2.50 4.28 -0.00 4.03 1.43 -0.81 -4.35 118.68 120.76 1umc s LEU 285 Ca 0.17 1.42 0.19 0.00 -1.03 0.00 0.00 54.13 54.88 1umc s LEU 285 Cb 0.18 -3.40 -0.21 0.00 0.03 0.00 0.00 46.19 42.79 1umc s LEU 285 CO 0.59 -0.33 0.78 0.18 0.23 0.00 0.00 176.35 177.80 1umc n LEU 286 N 4.54 0.84 -3.66 1.79 4.77 0.15 -4.97 117.00 120.45 1umc n LEU 286 Ca 0.05 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1umc n LEU 286 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1umc n LEU 286 CO 0.50 0.21 0.14 0.00 -1.33 0.00 0.00 177.39 176.91 1umc s ALA 287 N -2.80 -0.90 0.50 -1.18 0.00 -1.23 -4.88 121.76 111.27 1umc s ALA 287 Ca 0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 1umc s ALA 287 Cb 0.14 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 1umc s ALA 287 CO 0.77 -0.59 1.28 -2.14 0.00 0.00 0.00 175.76 175.08 1umc s PRO 288 N -3.49 3.48 -0.08 0.00 0.02 -1.26 -4.74 135.00 128.93 1umc s PRO 288 Ca 0.01 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1umc s PRO 288 Cb 0.01 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 1umc s PRO 288 CO -0.10 -0.85 1.53 -2.14 -0.33 0.00 0.00 177.00 175.11 1umc s PRO 289 N -2.75 4.20 -0.14 5.54 0.02 -1.26 -4.67 135.00 135.94 1umc s PRO 289 Ca 0.67 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.67 1umc s PRO 289 Cb -0.35 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 1umc s PRO 289 CO 0.43 -0.79 0.06 0.42 -0.33 0.00 0.00 177.00 176.79 1umc s ILE 290 N 3.75 4.79 -0.21 2.83 1.01 -0.88 -5.01 121.20 127.49 1umc s ILE 290 Ca 0.68 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 1umc s ILE 290 Cb -0.30 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1umc s ILE 290 CO 0.25 0.54 -0.06 -0.13 0.00 0.00 0.00 174.94 175.54 1umc s ARG 291 N -0.29 3.36 -0.43 2.79 0.52 -1.26 -0.14 118.95 123.49 1umc s ARG 291 Ca 0.08 -0.64 -0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1umc s ARG 291 Cb -0.12 -2.95 0.09 0.00 0.52 0.00 0.00 34.95 32.49 1umc s ARG 291 CO 0.02 -0.16 0.27 0.08 0.02 0.00 0.00 175.30 175.52 1umc s VAL 292 N 1.37 4.18 0.44 3.52 1.01 0.11 -4.96 120.40 126.07 1umc s VAL 292 Ca 0.04 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.56 1umc s VAL 292 Cb -0.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1umc s VAL 292 CO -0.03 -0.55 0.10 0.35 0.00 0.00 0.00 175.10 174.96 1umc n THR 293 N 4.90 0.00 -2.15 3.92 -2.24 -1.25 -1.55 114.28 115.91 1umc n THR 293 Ca -0.09 -2.40 -0.32 0.00 -2.27 0.00 0.00 64.05 58.96 1umc n THR 293 Cb 0.42 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1umc n THR 293 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1umc s GLY 294 N -3.62 2.08 0.60 3.38 0.00 -0.51 -4.84 107.32 104.42 1umc s GLY 294 Ca 0.14 0.30 -0.16 0.00 0.00 0.00 0.00 44.72 45.00 1umc s GLY 294 CO 0.10 0.60 1.07 -1.36 0.00 0.00 0.00 173.10 173.51 1umc s PHE 295 N -2.55 2.88 -1.39 1.90 0.08 -1.26 -1.79 117.98 115.85 1umc s PHE 295 Ca 0.62 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 59.08 1umc s PHE 295 Cb -0.14 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.19 1umc s PHE 295 CO 0.36 -1.27 2.54 -0.25 -0.10 0.00 0.00 175.22 176.51 1umc n ASP 296 N -2.04 6.35 -3.97 1.36 8.00 -1.26 -4.51 116.55 120.49 1umc n ASP 296 Ca 0.09 -2.60 -0.09 0.00 0.71 0.00 0.00 54.79 52.90 1umc n ASP 296 Cb 0.52 -1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 1umc n ASP 296 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1umc s THR 297 N 2.88 0.12 0.76 -3.53 -4.23 -1.26 -5.07 115.64 105.31 1umc s THR 297 Ca 0.58 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.50 1umc s THR 297 Cb 0.15 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.40 1umc s THR 297 CO -0.05 -0.55 1.12 -2.84 -0.54 0.00 0.00 174.62 171.77 1umc s PRO 298 N -3.94 2.18 -0.17 3.99 0.02 -1.26 -4.86 135.00 130.96 1umc s PRO 298 Ca 0.13 1.39 -0.29 0.00 0.02 0.00 0.00 61.00 62.25 1umc s PRO 298 Cb 0.05 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 1umc s PRO 298 CO -0.05 -1.73 1.84 -0.47 -0.33 0.00 0.00 177.00 176.26 1umc s TYR 299 N -2.55 1.69 0.27 6.54 6.14 -1.26 -4.96 117.35 123.23 1umc s TYR 299 Ca 0.66 0.34 -0.29 0.00 0.64 0.00 0.00 57.07 58.42 1umc s TYR 299 Cb -0.21 -4.03 -0.09 0.00 0.42 0.00 0.00 41.96 38.05 1umc s TYR 299 CO 0.50 -3.76 1.01 -1.25 0.64 0.00 0.00 175.55 172.70 1umc s PRO 300 N 5.08 4.70 -0.08 4.97 0.04 -1.26 -2.68 135.00 145.76 1umc s PRO 300 Ca 0.82 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1umc s PRO 300 Cb -0.30 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1umc s PRO 300 CO 0.33 0.33 0.03 -0.92 0.04 0.00 0.00 177.00 176.81 1umc h TYR 301 N 3.81 -0.02 -0.32 0.56 3.20 -1.93 -3.16 116.97 119.10 1umc h TYR 301 Ca -0.46 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.48 1umc h TYR 301 Cb 1.21 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.41 1umc h TYR 301 CO 0.60 -0.01 -0.15 0.00 -1.64 0.00 0.00 178.16 176.95 1umc h ALA 302 N -1.14 0.10 -0.51 1.82 0.00 -2.00 -1.64 119.26 115.90 1umc h ALA 302 Ca -0.00 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 1umc h ALA 302 Cb 0.02 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1umc h ALA 302 CO 0.00 -0.54 0.32 1.04 0.00 0.00 0.00 179.25 180.08 1umc n GLN 303 N -5.33 1.72 -0.23 0.00 3.00 -1.26 -4.63 117.38 110.65 1umc n GLN 303 Ca 0.01 -1.57 -0.07 0.00 -0.01 0.00 0.00 57.00 55.36 1umc n GLN 303 Cb 0.24 -1.63 -0.02 0.00 0.00 0.00 0.00 30.24 28.84 1umc n GLN 303 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1umc h ASP 304 N 0.60 -1.40 0.61 1.08 1.82 -1.26 0.78 116.42 118.65 1umc h ASP 304 Ca 0.31 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1umc h ASP 304 Cb 1.94 0.66 0.00 0.00 0.68 0.00 0.00 39.33 42.61 1umc h ASP 304 CO 0.56 -0.32 0.00 0.11 -1.61 0.00 0.00 179.24 177.98 1umc h LYS 305 N -0.18 0.00 0.00 0.28 1.79 -1.85 -1.98 116.57 114.63 1umc h LYS 305 Ca 0.21 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1umc h LYS 305 Cb 0.56 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1umc h LYS 305 CO -0.72 0.00 -0.88 -0.07 -1.08 0.00 0.00 179.45 176.69 1umc h LEU 306 N 0.00 0.00 0.04 2.94 3.38 -1.24 -3.37 115.31 117.05 1umc h LEU 306 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1umc h LEU 306 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1umc h LEU 306 CO 0.00 0.21 -0.02 0.22 0.09 0.00 0.00 178.44 178.94 1umc h TYR 307 N 0.00 -0.04 -2.95 1.13 3.20 -0.52 -3.45 116.97 114.34 1umc h TYR 307 Ca -0.04 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.29 1umc h TYR 307 Cb 1.20 0.01 0.08 0.00 1.54 0.00 0.00 36.73 39.56 1umc h TYR 307 CO 0.00 0.52 0.88 -0.11 -1.64 0.00 0.00 178.16 177.80 1umc n LEU 308 N -4.73 4.00 -4.67 2.82 7.94 -1.02 -4.63 117.00 116.70 1umc n LEU 308 Ca -0.06 1.12 -0.46 0.00 -1.11 0.00 0.00 56.01 55.49 1umc n LEU 308 Cb 0.28 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.64 1umc n LEU 308 CO 0.22 0.04 1.22 -2.65 -1.11 0.00 0.00 177.39 175.11 1umc n PRO 309 N 2.74 2.16 -3.49 1.96 -0.02 -1.26 -4.94 135.00 132.15 1umc n PRO 309 Ca 0.12 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 62.15 1umc n PRO 309 Cb 0.35 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.26 1umc n PRO 309 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1umc s THR 310 N 1.21 5.13 0.29 3.45 -4.23 -1.26 -4.90 115.64 115.33 1umc s THR 310 Ca 0.80 -0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1umc s THR 310 Cb -0.68 -3.86 0.28 0.00 1.34 0.00 0.00 72.50 69.58 1umc s THR 310 CO 0.39 -0.51 1.88 0.58 -0.54 0.00 0.00 174.62 176.42 1umc h VAL 311 N 0.83 1.04 0.10 2.29 2.07 -1.94 -1.72 116.25 118.92 1umc h VAL 311 Ca -0.50 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1umc h VAL 311 Cb 1.22 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1umc h VAL 311 CO 0.61 0.20 -0.09 0.74 0.02 0.00 0.00 177.57 179.05 1umc h THR 312 N 1.07 0.80 -0.89 2.57 2.02 -1.94 -0.10 112.91 116.44 1umc h THR 312 Ca 0.43 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.72 1umc h THR 312 Cb 0.26 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 1umc h THR 312 CO -0.18 0.00 0.53 -0.09 0.37 0.00 0.00 175.52 176.15 1umc h ARG 313 N -0.20 0.84 -0.31 6.66 9.65 -1.75 0.49 114.38 129.76 1umc h ARG 313 Ca 0.00 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 1umc h ARG 313 Cb 0.19 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1umc h ARG 313 CO -0.02 0.55 -0.08 0.82 2.80 0.00 0.00 179.97 184.05 1umc h ILE 314 N 0.86 1.28 -0.75 1.20 2.04 -0.95 -2.52 117.51 118.67 1umc h ILE 314 Ca 0.44 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1umc h ILE 314 Cb 0.42 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1umc h ILE 314 CO -0.26 0.36 0.45 -0.07 0.00 0.00 0.00 178.15 178.62 1umc h LEU 315 N 0.37 0.91 -0.51 1.44 3.38 -0.20 0.17 115.31 120.87 1umc h LEU 315 Ca 0.08 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1umc h LEU 315 Cb 0.56 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1umc h LEU 315 CO 0.03 0.72 0.28 0.78 0.09 0.00 0.00 178.44 180.34 1umc h ASN 316 N 1.03 0.43 -0.37 -0.43 -0.26 -0.83 0.20 115.58 115.35 1umc h ASN 316 Ca 0.27 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1umc h ASN 316 Cb -0.02 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1umc h ASN 316 CO -0.05 0.30 0.22 0.00 -1.06 0.00 0.00 177.43 176.84 1umc h ALA 317 N 1.25 0.48 -0.86 -0.83 0.00 -0.95 -1.93 119.26 116.43 1umc h ALA 317 Ca 0.22 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1umc h ALA 317 Cb 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1umc h ALA 317 CO -0.13 -0.01 0.53 0.00 0.00 0.00 0.00 179.25 179.64 1umc h ALA 318 N 1.08 1.20 -0.60 0.00 0.00 -0.18 -1.78 119.26 118.98 1umc h ALA 318 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1umc h ALA 318 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1umc h ALA 318 CO -0.02 0.24 0.33 -0.22 0.00 0.00 0.00 179.25 179.58 1umc h LYS 319 N 0.94 0.83 -0.87 0.00 3.64 0.03 -0.28 116.57 120.86 1umc h LYS 319 Ca 0.39 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1umc h LYS 319 Cb 0.23 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1umc h LYS 319 CO -0.19 0.63 0.44 0.00 -2.27 0.00 0.00 179.45 178.06 1umc h ARG 320 N 0.81 1.24 -0.40 1.90 3.08 -0.69 0.33 114.38 120.65 1umc h ARG 320 Ca 0.21 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1umc h ARG 320 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1umc h ARG 320 CO -0.03 0.93 0.08 0.00 -1.07 0.00 0.00 179.97 179.88 1umc h ALA 321 N 1.25 0.53 -0.13 0.04 0.00 -0.85 -2.24 119.26 117.86 1umc h ALA 321 Ca 0.30 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1umc h ALA 321 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1umc h ALA 321 CO -0.04 0.22 -0.69 -0.07 0.00 0.00 0.00 179.25 178.67 1umc h LEU 322 N 0.51 0.63 -0.51 0.00 3.38 -0.70 -3.13 115.31 115.49 1umc h LEU 322 Ca 0.12 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1umc h LEU 322 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1umc h LEU 322 CO 0.00 1.14 0.00 0.47 0.09 0.00 0.00 178.44 180.14 1umc n ASP 323 N -3.90 0.76 0.00 -0.43 8.00 0.11 -5.09 116.55 116.00 1umc n ASP 323 Ca -0.05 -1.63 0.16 0.00 0.71 0.00 0.00 54.79 53.98 1umc n ASP 323 Cb 0.69 -0.06 0.94 0.00 -0.02 0.00 0.00 41.12 42.66 1umc n ASP 323 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81