#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mct n ASP 2 N 0.00 5.70 -4.87 6.12 2.03 -1.26 -5.05 116.55 119.22 3mct n ASP 2 Ca 0.00 -3.14 -0.33 0.00 0.52 0.00 0.00 54.79 51.84 3mct n ASP 2 Cb 0.00 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 38.96 3mct n ASP 2 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3mct s VAL 3 N -1.17 5.02 0.16 5.18 -7.23 -1.26 -0.58 120.40 120.51 3mct s VAL 3 Ca 0.33 0.40 -0.23 0.00 -1.81 0.00 0.00 61.98 60.67 3mct s VAL 3 Cb -0.03 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.33 3mct s VAL 3 CO -0.01 0.08 0.66 0.54 -0.31 0.00 0.00 175.10 176.06 3mct s VAL 4 N -1.64 0.00 -0.15 1.32 0.11 0.44 -4.87 120.40 115.61 3mct s VAL 4 Ca 0.41 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 3mct s VAL 4 Cb -0.13 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 3mct s VAL 4 CO 0.21 0.00 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.47 3mct s SER 5 N -2.75 4.47 0.01 3.54 0.01 -1.26 -1.00 113.70 116.72 3mct s SER 5 Ca 0.03 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.10 3mct s SER 5 Cb -0.02 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 3mct s SER 5 CO -0.09 0.16 -0.08 -0.76 0.41 0.00 0.00 173.24 172.88 3mct s LEU 6 N 0.40 2.09 -0.13 2.44 1.02 -1.26 -5.05 118.68 118.19 3mct s LEU 6 Ca -0.06 -0.27 -0.29 0.00 0.02 0.00 0.00 54.13 53.53 3mct s LEU 6 Cb -0.15 -0.37 -0.25 0.00 0.02 0.00 0.00 46.19 45.44 3mct s LEU 6 CO 0.04 0.02 0.82 0.44 0.02 0.00 0.00 176.35 177.69 3mct h ASP 7 N 5.50 0.00 -5.18 2.29 5.19 -1.99 -3.48 116.42 118.75 3mct h ASP 7 Ca -0.32 -0.95 -0.08 0.00 -0.62 0.00 0.00 57.03 55.06 3mct h ASP 7 Cb 1.19 -0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 3mct h ASP 7 CO 0.47 0.95 -0.28 -1.59 -3.12 0.00 0.00 179.24 175.67 3mct s LYS 8 N -2.43 1.04 0.72 3.56 0.00 -1.26 -5.17 119.74 116.20 3mct s LYS 8 Ca -0.19 -1.01 -0.05 0.00 0.00 0.00 0.00 55.97 54.73 3mct s LYS 8 Cb -0.02 0.39 0.09 0.00 0.00 0.00 0.00 37.83 38.29 3mct s LYS 8 CO 0.69 -0.38 1.01 -1.25 0.00 0.00 0.00 175.35 175.42 3mct s PRO 9 N -3.90 1.89 -0.35 1.78 0.04 -1.26 -5.01 135.00 128.20 3mct s PRO 9 Ca 0.10 -0.62 -0.29 0.00 0.04 0.00 0.00 61.00 60.23 3mct s PRO 9 Cb 0.03 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3mct s PRO 9 CO -0.06 -1.37 1.22 -0.06 0.04 0.00 0.00 177.00 176.78 3mct s PHE 10 N -3.22 2.80 -0.05 0.56 0.08 -1.26 -4.88 117.98 112.01 3mct s PHE 10 Ca 0.63 0.90 -0.01 0.00 0.12 0.00 0.00 56.93 58.58 3mct s PHE 10 Cb -0.08 -3.99 -0.26 0.00 -0.57 0.00 0.00 43.02 38.11 3mct s PHE 10 CO 0.45 -1.41 0.63 0.52 -0.10 0.00 0.00 175.22 175.31 3mct h MET 11 N 9.12 0.20 -5.18 0.44 2.86 -1.95 -3.45 114.93 116.97 3mct h MET 11 Ca -0.24 -0.35 -0.36 0.00 -2.06 0.00 0.00 59.70 56.69 3mct h MET 11 Cb 1.08 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.70 3mct h MET 11 CO 1.06 1.01 -0.73 0.71 1.06 0.00 0.00 176.91 180.01 3mct s TYR 12 N -2.59 1.27 0.25 -0.22 2.02 -1.26 -1.58 117.35 115.23 3mct s TYR 12 Ca -0.13 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 55.86 3mct s TYR 12 Cb 0.07 -0.66 0.46 0.00 -0.40 0.00 0.00 41.96 41.43 3mct s TYR 12 CO 0.82 0.09 1.65 0.35 -1.57 0.00 0.00 175.55 176.90 3mct h PHE 13 N 3.24 0.10 -0.04 2.71 3.57 -1.66 -1.12 116.94 123.74 3mct h PHE 13 Ca -0.38 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.18 3mct h PHE 13 Cb 1.19 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3mct h PHE 13 CO 0.65 -0.18 0.05 0.93 -2.23 0.00 0.00 178.31 177.53 3mct h GLU 14 N 0.17 0.00 0.00 1.11 3.07 -1.98 -1.90 114.58 115.05 3mct h GLU 14 Ca 0.42 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.18 3mct h GLU 14 Cb 0.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3mct h GLU 14 CO -0.60 0.00 -0.49 0.93 -1.40 0.00 0.00 179.01 177.45 3mct h GLU 15 N 0.00 0.00 -6.13 2.33 5.08 -1.62 -3.44 114.58 110.80 3mct h GLU 15 Ca 0.02 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.77 3mct h GLU 15 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3mct h GLU 15 CO -0.00 0.49 1.32 -0.89 -1.00 0.00 0.00 179.01 178.93 3mct n ILE 16 N -3.53 0.45 -0.66 3.13 5.41 -0.72 -4.85 119.36 118.60 3mct n ILE 16 Ca -0.00 -0.26 0.06 0.00 1.00 0.00 0.00 62.75 63.55 3mct n ILE 16 Cb 0.60 -2.12 0.36 0.00 -0.71 0.00 0.00 39.64 37.76 3mct n ILE 16 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3mct n ASP 17 N 9.11 5.15 -3.73 4.38 5.68 -1.26 -4.96 116.55 130.92 3mct n ASP 17 Ca 0.28 -2.81 -0.07 0.00 -0.50 0.00 0.00 54.79 51.70 3mct n ASP 17 Cb 0.35 -0.66 -0.01 0.00 -1.14 0.00 0.00 41.12 39.65 3mct n ASP 17 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3mct s ASN 18 N -0.68 -0.21 0.12 -1.12 3.84 -1.26 -5.18 114.94 110.45 3mct s ASN 18 Ca 0.48 -0.64 -0.13 0.00 0.21 0.00 0.00 52.86 52.77 3mct s ASN 18 Cb 0.36 0.71 0.02 0.00 -0.55 0.00 0.00 41.25 41.79 3mct s ASN 18 CO 0.14 -1.32 0.33 -1.83 -2.79 0.00 0.00 177.10 171.63 3mct s GLU 19 N -3.62 1.03 -0.02 0.43 -1.05 -1.26 -4.47 118.70 109.74 3mct s GLU 19 Ca 0.12 -0.85 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 3mct s GLU 19 Cb -0.05 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3mct s GLU 19 CO 0.07 -0.38 0.11 -1.17 0.95 0.00 0.00 175.26 174.84 3mct s LEU 20 N -2.85 1.62 0.16 1.83 0.20 -0.40 -4.88 118.68 114.36 3mct s LEU 20 Ca 0.06 -0.02 -0.31 0.00 0.69 0.00 0.00 54.13 54.54 3mct s LEU 20 Cb 0.03 0.49 -0.10 0.00 -0.43 0.00 0.00 46.19 46.17 3mct s LEU 20 CO -0.10 -0.20 1.62 -1.81 -0.29 0.00 0.00 176.35 175.57 3mct s ASP 21 N -0.69 6.55 0.17 3.68 1.01 -1.26 -4.38 116.67 121.75 3mct s ASP 21 Ca -0.08 2.65 -0.31 0.00 0.71 0.00 0.00 52.55 55.52 3mct s ASP 21 Cb -0.05 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 3mct s ASP 21 CO 0.01 -0.87 1.49 -0.47 0.21 0.00 0.00 175.17 175.54 3mct s TYR 22 N 1.43 3.11 -0.37 4.23 5.04 -1.26 -5.00 117.35 124.53 3mct s TYR 22 Ca 0.72 0.79 -0.10 0.00 -2.44 0.00 0.00 57.07 56.05 3mct s TYR 22 Cb -0.44 -3.84 0.04 0.00 0.35 0.00 0.00 41.96 38.06 3mct s TYR 22 CO 0.32 -2.99 0.19 -1.21 -1.34 0.00 0.00 175.55 170.51 3mct s GLU 23 N 0.83 2.74 0.55 4.97 2.02 -1.26 -4.96 118.70 123.59 3mct s GLU 23 Ca 0.66 -1.15 0.28 0.00 0.02 0.00 0.00 54.97 54.79 3mct s GLU 23 Cb -0.41 -3.67 1.55 0.00 0.10 0.00 0.00 34.13 31.70 3mct s GLU 23 CO 0.33 -0.72 1.85 -1.00 0.02 0.00 0.00 175.26 175.75 3mct h PRO 24 N 8.38 0.00 0.00 0.39 0.13 -2.04 -1.35 132.00 137.50 3mct h PRO 24 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 3mct h PRO 24 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3mct h PRO 24 CO 0.66 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.16 3mct h GLU 25 N 0.00 0.00 0.00 0.86 3.07 -2.03 -2.58 114.58 113.90 3mct h GLU 25 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mct h GLU 25 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3mct h GLU 25 CO 0.00 0.20 -0.01 0.66 -1.40 0.00 0.00 179.01 178.46 3mct h SER 26 N 0.00 0.00 0.81 1.42 4.64 -1.67 -1.64 113.55 117.11 3mct h SER 26 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mct h SER 26 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3mct h SER 26 CO 0.03 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3mct h ALA 27 N 1.99 1.00 -0.01 5.18 0.00 -1.67 -2.43 119.26 123.32 3mct h ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mct h ALA 27 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mct h ALA 27 CO 0.00 0.00 -0.23 0.09 0.00 0.00 0.00 179.25 179.11 3mct n ASN 28 N -2.96 1.09 -4.87 0.00 4.13 -0.61 -4.94 115.26 107.09 3mct n ASN 28 Ca 0.00 -0.96 -0.30 0.00 1.68 0.00 0.00 54.58 55.00 3mct n ASN 28 Cb 0.25 0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 3mct n ASN 28 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3mct s GLU 29 N -2.45 3.78 -0.28 3.52 2.02 -0.92 -4.97 118.70 119.40 3mct s GLU 29 Ca 0.26 0.54 -0.37 0.00 0.02 0.00 0.00 54.97 55.42 3mct s GLU 29 Cb 0.19 -2.33 -0.13 0.00 0.10 0.00 0.00 34.13 31.96 3mct s GLU 29 CO 0.50 -0.12 1.99 0.28 0.02 0.00 0.00 175.26 177.93 3mct n VAL 30 N -1.50 0.31 0.07 2.63 0.31 -1.26 -4.87 118.33 114.02 3mct n VAL 30 Ca 0.03 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 3mct n VAL 30 Cb 0.54 -1.55 -0.10 0.00 -0.91 0.00 0.00 33.84 31.81 3mct n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mct h ALA 31 N 10.10 0.36 -3.45 3.52 0.00 -1.94 -3.41 119.26 124.44 3mct h ALA 31 Ca -0.37 -0.88 -0.21 0.00 0.00 0.00 0.00 54.91 53.45 3mct h ALA 31 Cb 1.31 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 3mct h ALA 31 CO 0.99 1.18 -0.67 -1.59 0.00 0.00 0.00 179.25 179.16 3mct s LYS 32 N -2.77 0.13 -0.01 0.00 -2.85 -1.26 -1.06 119.74 111.92 3mct s LYS 32 Ca 0.00 -0.12 0.09 0.00 -1.00 0.00 0.00 55.97 54.93 3mct s LYS 32 Cb 0.10 0.05 -0.13 0.00 -2.06 0.00 0.00 37.83 35.79 3mct s LYS 32 CO 0.82 -0.02 0.21 0.36 0.10 0.00 0.00 175.35 176.82 3mct n LYS 33 N 2.64 0.74 -4.69 1.78 -0.00 -1.26 -5.03 118.16 112.35 3mct n LYS 33 Ca -0.15 -0.07 -0.31 0.00 -0.00 0.00 0.00 58.31 57.78 3mct n LYS 33 Cb 0.58 -1.16 -0.13 0.00 -0.00 0.00 0.00 35.03 34.32 3mct n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3mct s LEU 34 N -3.45 2.54 0.43 -5.58 1.43 -1.26 -5.10 118.68 107.70 3mct s LEU 34 Ca -0.02 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 3mct s LEU 34 Cb 0.06 -1.48 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3mct s LEU 34 CO 0.35 0.26 1.18 -2.16 0.23 0.00 0.00 176.35 176.21 3mct s PRO 35 N -1.42 3.90 -1.40 1.29 0.04 -1.26 -2.72 135.00 133.42 3mct s PRO 35 Ca 0.14 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 3mct s PRO 35 Cb -0.10 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.90 3mct s PRO 35 CO 0.05 -0.45 0.24 0.66 0.04 0.00 0.00 177.00 177.54 3mct n TYR 36 N -0.20 -1.52 0.03 0.56 4.01 -1.26 -4.82 117.16 113.97 3mct n TYR 36 Ca 0.06 0.21 0.07 0.00 -0.16 0.00 0.00 57.90 58.08 3mct n TYR 36 Cb 0.47 -3.53 0.49 0.00 -0.31 0.00 0.00 39.34 36.46 3mct n TYR 36 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3mct h GLN 37 N -0.52 0.39 -0.54 -0.72 4.15 -1.89 -1.28 115.11 114.71 3mct h GLN 37 Ca -0.43 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 58.88 3mct h GLN 37 Cb 1.30 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 3mct h GLN 37 CO 0.50 0.26 -0.03 0.78 -1.93 0.00 0.00 178.83 178.40 3mct h GLY 38 N 0.40 1.02 1.31 2.39 0.00 -1.88 0.54 103.07 106.85 3mct h GLY 38 Ca 0.15 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 3mct h GLY 38 CO -0.04 0.68 -0.30 1.46 0.00 0.00 0.00 176.54 178.34 3mct h GLN 39 N 0.86 0.77 -0.24 4.80 1.08 -1.64 -2.44 115.11 118.31 3mct h GLN 39 Ca 0.15 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 3mct h GLN 39 Cb 0.55 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3mct h GLN 39 CO 0.03 0.97 0.04 1.25 -0.95 0.00 0.00 178.83 180.18 3mct h LEU 40 N 0.66 0.37 -0.19 1.46 5.85 -1.06 -0.22 115.31 122.18 3mct h LEU 40 Ca 0.08 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.60 3mct h LEU 40 Cb 0.83 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3mct h LEU 40 CO 0.07 0.53 -0.20 0.50 -0.34 0.00 0.00 178.44 179.00 3mct h LYS 41 N 0.20 -0.22 -0.35 1.25 3.64 -0.80 -1.56 116.57 118.73 3mct h LYS 41 Ca 0.07 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3mct h LYS 41 Cb 0.31 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3mct h LYS 41 CO 0.00 -0.15 0.10 -0.07 -2.27 0.00 0.00 179.45 177.07 3mct h LEU 42 N -0.23 0.52 -0.79 5.20 3.38 -1.41 -2.81 115.31 119.18 3mct h LEU 42 Ca 0.12 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3mct h LEU 42 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3mct h LEU 42 CO -0.32 0.60 0.50 0.25 0.09 0.00 0.00 178.44 179.56 3mct h LEU 43 N 0.42 0.84 -0.26 1.67 5.85 -0.76 -1.01 115.31 122.05 3mct h LEU 43 Ca 0.11 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3mct h LEU 43 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3mct h LEU 43 CO -0.00 0.58 0.02 -0.07 -0.34 0.00 0.00 178.44 178.62 3mct h LEU 44 N 0.99 0.43 -0.32 2.25 3.38 -1.21 -1.06 115.31 119.76 3mct h LEU 44 Ca 0.32 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3mct h LEU 44 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3mct h LEU 44 CO -0.11 0.61 0.12 1.23 0.09 0.00 0.00 178.44 180.39 3mct h GLY 45 N 0.24 0.51 1.91 0.83 0.00 -1.35 -1.07 103.07 104.14 3mct h GLY 45 Ca 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3mct h GLY 45 CO 0.01 0.27 -0.42 0.83 0.00 0.00 0.00 176.54 177.22 3mct h GLU 46 N 0.36 0.10 -0.32 4.80 5.08 -1.20 -0.99 114.58 122.42 3mct h GLU 46 Ca 0.11 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3mct h GLU 46 Cb 0.19 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3mct h GLU 46 CO -0.01 0.51 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.08 3mct h LEU 47 N 0.08 0.87 0.50 1.33 3.38 -1.03 -1.92 115.31 118.53 3mct h LEU 47 Ca 0.01 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3mct h LEU 47 Cb 0.79 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3mct h LEU 47 CO 0.06 1.18 -0.29 0.15 0.09 0.00 0.00 178.44 179.63 3mct h PHE 48 N 0.58 -0.76 0.09 1.13 3.57 -0.97 -1.21 116.94 119.36 3mct h PHE 48 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3mct h PHE 48 Cb 0.95 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3mct h PHE 48 CO 0.07 -0.45 -0.29 0.35 -2.23 0.00 0.00 178.31 175.77 3mct h PHE 49 N -0.74 -0.77 -0.33 0.41 3.57 -1.19 -2.46 116.94 115.43 3mct h PHE 49 Ca -0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3mct h PHE 49 Cb 0.60 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3mct h PHE 49 CO -0.08 -0.39 0.07 -0.07 -2.23 0.00 0.00 178.31 175.61 3mct h LEU 50 N -0.48 0.44 -0.93 0.59 4.07 -1.36 -1.94 115.31 115.69 3mct h LEU 50 Ca 0.04 -0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 3mct h LEU 50 Cb 0.53 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 3mct h LEU 50 CO -0.19 0.45 -0.26 0.28 -1.08 0.00 0.00 178.44 177.65 3mct h SER 51 N 0.47 0.49 -0.05 -0.43 0.02 -0.94 -2.01 113.55 111.10 3mct h SER 51 Ca 0.11 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3mct h SER 51 Cb 0.20 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3mct h SER 51 CO -0.00 0.74 0.03 0.50 -1.14 0.00 0.00 176.83 176.96 3mct h LYS 52 N 0.43 0.07 -0.67 3.45 3.64 -0.91 0.09 116.57 122.67 3mct h LYS 52 Ca 0.06 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3mct h LYS 52 Cb 0.68 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3mct h LYS 52 CO 0.05 0.11 0.44 -0.07 -2.27 0.00 0.00 179.45 177.72 3mct h LEU 53 N 0.02 0.72 -0.20 5.20 3.38 -1.25 -0.11 115.31 123.07 3mct h LEU 53 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3mct h LEU 53 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3mct h LEU 53 CO -0.00 0.51 0.04 -0.61 0.09 0.00 0.00 178.44 178.46 3mct h GLN 54 N 0.84 0.33 -0.88 1.13 4.15 -0.90 0.17 115.11 119.95 3mct h GLN 54 Ca 0.26 -0.09 0.11 0.00 0.77 0.00 0.00 58.65 59.70 3mct h GLN 54 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 3mct h GLN 54 CO -0.07 0.47 0.57 -0.09 -1.93 0.00 0.00 178.83 177.78 3mct h ARG 55 N 0.13 0.79 -0.21 1.69 2.43 0.36 0.31 114.38 119.88 3mct h ARG 55 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3mct h ARG 55 Cb 0.30 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3mct h ARG 55 CO 0.00 0.52 0.00 0.72 -1.51 0.00 0.00 179.97 179.70 3mct n HIS 56 N -4.54 0.28 -1.45 2.20 8.25 -0.19 -4.93 115.22 114.83 3mct n HIS 56 Ca 0.16 -0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 3mct n HIS 56 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 3mct n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mct n GLY 57 N 1.03 1.53 0.77 -1.41 0.00 0.11 -4.89 105.19 102.33 3mct n GLY 57 Ca 0.13 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3mct n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mct n ILE 58 N -2.58 0.62 -0.09 -0.61 -5.35 0.50 -4.62 119.36 107.23 3mct n ILE 58 Ca -0.15 -0.81 -0.20 0.00 -0.27 0.00 0.00 62.75 61.32 3mct n ILE 58 Cb 0.50 0.81 -0.12 0.00 -1.74 0.00 0.00 39.64 39.09 3mct n ILE 58 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3mct h LEU 59 N 2.84 0.01 -9.40 7.28 5.85 -1.84 -3.43 115.31 116.60 3mct h LEU 59 Ca 0.00 -0.62 -0.59 0.00 0.84 0.00 0.00 57.88 57.50 3mct h LEU 59 Cb 0.74 -0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.81 3mct h LEU 59 CO 0.00 1.39 0.96 -0.67 -0.34 0.00 0.00 178.44 179.78 3mct n ASP 60 N -4.46 3.33 0.00 1.25 -0.08 -1.26 -1.44 116.55 113.89 3mct n ASP 60 Ca -0.27 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 3mct n ASP 60 Cb 0.64 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.69 3mct n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3mct n GLY 61 N 3.92 0.84 3.94 0.27 0.00 0.14 -4.97 105.19 109.33 3mct n GLY 61 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3mct n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mct s ALA 62 N -3.01 3.37 -0.17 4.61 0.00 -0.52 -4.64 121.76 121.40 3mct s ALA 62 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3mct s ALA 62 Cb 0.00 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.64 3mct s ALA 62 CO 0.00 -1.05 -0.13 0.99 0.00 0.00 0.00 175.76 175.57 3mct s THR 63 N -3.07 2.82 -0.25 0.00 2.01 -0.68 -2.19 115.64 114.29 3mct s THR 63 Ca 0.58 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 3mct s THR 63 Cb -0.11 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 3mct s THR 63 CO 0.43 0.50 0.43 -0.69 -0.69 0.00 0.00 174.62 174.60 3mct s VAL 64 N 0.91 5.14 -0.35 3.82 1.01 0.19 -1.25 120.40 129.87 3mct s VAL 64 Ca -0.03 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 3mct s VAL 64 Cb -0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3mct s VAL 64 CO -0.01 0.16 0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3mct s VAL 65 N 1.96 4.76 -0.24 2.92 1.01 0.03 -0.89 120.40 129.95 3mct s VAL 65 Ca 0.18 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3mct s VAL 65 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3mct s VAL 65 CO 0.09 -0.09 -0.02 -0.47 0.00 0.00 0.00 175.10 174.61 3mct s TYR 66 N 1.61 3.01 -0.15 5.22 6.14 -0.23 -1.08 117.35 131.87 3mct s TYR 66 Ca 0.04 -1.05 -0.03 0.00 0.64 0.00 0.00 57.07 56.67 3mct s TYR 66 Cb -0.18 -2.12 -0.02 0.00 0.42 0.00 0.00 41.96 40.05 3mct s TYR 66 CO 0.07 -0.58 -0.06 0.42 0.64 0.00 0.00 175.55 176.04 3mct s ILE 67 N 1.46 3.60 0.00 3.14 1.01 -0.35 -1.32 121.20 128.74 3mct s ILE 67 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3mct s ILE 67 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3mct s ILE 67 CO -0.02 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3mct n GLY 68 N 3.66 0.94 0.18 6.18 0.00 -0.52 -1.11 105.19 114.53 3mct n GLY 68 Ca -0.18 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.42 3mct n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mct h SER 69 N 0.00 0.00 -3.69 1.61 4.64 -1.75 -3.40 113.55 110.96 3mct h SER 69 Ca 0.00 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3mct h SER 69 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3mct h SER 69 CO 0.00 0.00 0.23 0.00 -0.87 0.00 0.00 176.83 176.20 3mct s ALA 70 N -3.23 3.34 0.29 5.18 0.00 -1.26 -1.16 121.76 124.93 3mct s ALA 70 Ca 0.06 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3mct s ALA 70 Cb 0.07 -3.02 0.46 0.00 0.00 0.00 0.00 23.12 20.63 3mct s ALA 70 CO 0.69 0.25 1.77 -1.00 0.00 0.00 0.00 175.76 177.48 3mct h PRO 71 N 3.59 0.55 -0.34 0.00 0.13 -1.93 -3.50 132.00 130.50 3mct h PRO 71 Ca -0.47 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.40 3mct h PRO 71 Cb 1.20 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3mct h PRO 71 CO 0.66 0.67 -0.10 0.41 -0.23 0.00 0.00 178.00 179.41 3mct n GLY 72 N -0.58 0.61 0.33 1.56 0.00 -0.30 -0.80 105.19 106.01 3mct n GLY 72 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 3mct n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mct h THR 73 N 0.00 0.17 -0.02 2.61 2.02 -1.93 0.16 112.91 115.93 3mct h THR 73 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3mct h THR 73 Cb 0.50 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3mct h THR 73 CO 0.14 0.00 0.02 1.12 0.37 0.00 0.00 175.52 177.17 3mct h HIS 74 N -0.11 0.00 0.00 3.16 2.07 -1.93 -2.18 115.15 116.17 3mct h HIS 74 Ca 0.28 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.76 3mct h HIS 74 Cb 0.56 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.53 3mct h HIS 74 CO -0.66 0.00 -0.16 0.82 -3.07 0.00 0.00 177.93 174.86 3mct h ILE 75 N 0.00 1.06 -0.74 6.12 2.04 -1.06 -2.20 117.51 122.74 3mct h ILE 75 Ca 0.01 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 3mct h ILE 75 Cb 0.05 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3mct h ILE 75 CO -0.00 0.16 0.30 -0.09 0.00 0.00 0.00 178.15 178.52 3mct h ARG 76 N 0.00 1.10 0.07 2.37 9.65 -1.46 -0.23 114.38 125.87 3mct h ARG 76 Ca -0.00 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3mct h ARG 76 Cb 0.29 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3mct h ARG 76 CO 0.02 0.90 -0.03 -0.92 2.80 0.00 0.00 179.97 182.74 3mct h TYR 77 N 1.06 -0.08 -0.32 2.20 5.03 -1.55 -1.68 116.97 121.63 3mct h TYR 77 Ca 0.25 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.63 3mct h TYR 77 Cb 0.20 0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.43 3mct h TYR 77 CO 0.02 0.07 -0.23 -0.07 -1.32 0.00 0.00 178.16 176.62 3mct h LEU 78 N -0.22 -0.76 -0.27 2.82 3.38 -1.21 -0.27 115.31 118.78 3mct h LEU 78 Ca -0.01 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3mct h LEU 78 Cb 0.19 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3mct h LEU 78 CO 0.01 -0.26 -0.06 -0.09 0.09 0.00 0.00 178.44 178.14 3mct h ARG 79 N -0.20 0.01 -0.59 1.13 1.12 -0.95 -2.56 114.38 112.35 3mct h ARG 79 Ca 0.16 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3mct h ARG 79 Cb 0.45 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 3mct h ARG 79 CO -0.44 0.01 0.37 -0.44 -3.11 0.00 0.00 179.97 176.36 3mct h ASP 80 N 0.01 0.70 -0.07 -3.80 3.32 -1.01 -0.46 116.42 115.12 3mct h ASP 80 Ca 0.13 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3mct h ASP 80 Cb 0.20 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3mct h ASP 80 CO -0.27 0.53 -0.22 -0.74 -1.72 0.00 0.00 179.24 176.82 3mct h HIS 81 N 0.80 -0.57 0.00 4.55 2.76 -0.73 0.17 115.15 122.12 3mct h HIS 81 Ca 0.21 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.27 3mct h HIS 81 Cb -0.05 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3mct h HIS 81 CO -0.03 -0.30 -0.65 0.74 -1.30 0.00 0.00 177.93 176.40 3mct h PHE 82 N -0.31 0.00 -0.58 5.26 0.04 -1.35 -2.59 116.94 117.41 3mct h PHE 82 Ca 0.08 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 3mct h PHE 82 Cb 0.42 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3mct h PHE 82 CO -0.29 0.65 -0.05 -0.92 -0.60 0.00 0.00 178.31 177.10 3mct h TYR 83 N 0.00 1.16 0.00 -0.55 5.03 -0.72 -1.76 116.97 120.14 3mct h TYR 83 Ca -0.01 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.09 3mct h TYR 83 Cb 1.27 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 39.25 3mct h TYR 83 CO 0.00 1.04 0.00 -0.91 -1.32 0.00 0.00 178.16 176.97 3mct h ASN 84 N 0.95 0.00 0.86 -2.11 -0.26 -0.59 -2.85 115.58 111.58 3mct h ASN 84 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3mct h ASN 84 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 3mct h ASN 84 CO 0.04 0.00 -0.22 0.18 -1.06 0.00 0.00 177.43 176.37 3mct n LEU 85 N -2.91 0.29 0.00 1.61 4.77 -0.98 -4.92 117.00 114.87 3mct n LEU 85 Ca 0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3mct n LEU 85 Cb 0.46 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3mct n LEU 85 CO 0.31 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3mct n GLY 86 N 1.47 0.52 3.73 -0.72 0.00 -1.06 -5.05 105.19 104.08 3mct n GLY 86 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3mct n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mct s VAL 87 N -2.19 3.87 -0.34 1.61 1.01 -0.70 -5.00 120.40 118.65 3mct s VAL 87 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 3mct s VAL 87 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3mct s VAL 87 CO 0.00 0.18 0.47 -0.63 0.00 0.00 0.00 175.10 175.12 3mct s ILE 88 N 0.43 5.06 -0.02 2.22 -1.09 -1.26 -4.31 121.20 122.23 3mct s ILE 88 Ca 0.55 0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 59.20 3mct s ILE 88 Cb -0.30 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 3mct s ILE 88 CO 0.33 -0.17 0.08 -0.63 -1.23 0.00 0.00 174.94 173.32 3mct s ILE 89 N 2.27 0.03 -0.01 2.92 1.01 -1.26 0.29 121.20 126.45 3mct s ILE 89 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3mct s ILE 89 Cb -0.16 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 3mct s ILE 89 CO 0.13 -0.13 -0.01 -0.54 0.00 0.00 0.00 174.94 174.39 3mct s LYS 90 N -0.39 2.79 -0.02 2.79 1.02 -0.93 -4.91 119.74 120.10 3mct s LYS 90 Ca -0.05 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.41 3mct s LYS 90 Cb -0.03 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3mct s LYS 90 CO 0.00 0.63 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.28 3mct s TRP 91 N -1.05 2.51 -0.21 3.18 0.52 0.46 -0.64 118.94 123.71 3mct s TRP 91 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 3mct s TRP 91 Cb -0.11 -1.54 0.07 0.00 -1.15 0.00 0.00 33.47 30.73 3mct s TRP 91 CO 0.09 0.10 0.03 1.41 0.02 0.00 0.00 176.95 178.60 3mct s MET 92 N -0.81 0.77 -0.22 4.98 1.75 -0.07 -0.70 119.30 124.99 3mct s MET 92 Ca 0.11 -0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 53.93 3mct s MET 92 Cb -0.10 -2.14 -0.02 0.00 2.84 0.00 0.00 34.83 35.41 3mct s MET 92 CO 0.01 -0.68 0.01 -0.51 -0.65 0.00 0.00 175.02 173.20 3mct s LEU 93 N 1.78 3.23 -0.10 4.11 1.43 0.39 -1.07 118.68 128.45 3mct s LEU 93 Ca -0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3mct s LEU 93 Cb -0.17 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3mct s LEU 93 CO -0.10 0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 175.70 3mct s ILE 94 N 1.33 1.51 -0.10 -0.59 1.01 -0.44 0.38 121.20 124.29 3mct s ILE 94 Ca 0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3mct s ILE 94 Cb -0.15 -1.36 0.11 0.00 0.01 0.00 0.00 42.46 41.08 3mct s ILE 94 CO 0.01 0.44 0.93 -0.62 0.00 0.00 0.00 174.94 175.70 3mct s ASP 95 N 0.80 -0.40 0.21 3.58 -1.08 -0.96 -1.43 116.67 117.39 3mct s ASP 95 Ca -0.10 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 3mct s ASP 95 Cb -0.16 0.35 0.80 0.00 -1.46 0.00 0.00 42.92 42.45 3mct s ASP 95 CO 0.01 -0.45 1.76 0.61 0.52 0.00 0.00 175.17 177.63 3mct n GLY 96 N 0.47 -1.70 3.95 2.66 0.00 -1.23 -1.53 105.19 107.82 3mct n GLY 96 Ca -0.11 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3mct n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mct s ARG 97 N -3.10 2.93 0.20 1.61 0.52 -1.26 -4.78 118.95 115.07 3mct s ARG 97 Ca 0.11 -0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 54.67 3mct s ARG 97 Cb 0.12 -2.47 -0.08 0.00 0.52 0.00 0.00 34.95 33.04 3mct s ARG 97 CO 0.60 -0.46 0.75 -1.01 0.02 0.00 0.00 175.30 175.20 3mct s HIS 98 N -2.70 3.77 0.50 -0.53 3.76 -1.26 -4.81 115.29 114.01 3mct s HIS 98 Ca 0.51 1.51 -0.08 0.00 -0.15 0.00 0.00 55.06 56.86 3mct s HIS 98 Cb -0.10 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 30.85 3mct s HIS 98 CO 0.40 0.42 0.84 -1.01 -0.85 0.00 0.00 174.74 174.53 3mct s HIS 99 N -1.35 3.56 0.09 1.40 3.76 -1.26 -4.26 115.29 117.22 3mct s HIS 99 Ca 0.40 0.98 -0.31 0.00 -0.15 0.00 0.00 55.06 55.98 3mct s HIS 99 Cb -0.20 -2.43 -0.09 0.00 1.11 0.00 0.00 32.58 30.97 3mct s HIS 99 CO 0.23 -0.33 1.72 0.34 -0.85 0.00 0.00 174.74 175.85 3mct s ASP 100 N -3.90 6.53 0.19 1.40 -1.08 0.02 -4.85 116.67 114.98 3mct s ASP 100 Ca 0.50 2.59 0.09 0.00 -0.52 0.00 0.00 52.55 55.21 3mct s ASP 100 Cb -0.10 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 3mct s ASP 100 CO 0.44 -0.93 1.15 -2.65 0.52 0.00 0.00 175.17 173.70 3mct n PRO 101 N 5.59 0.06 0.00 4.34 -0.02 -1.26 -1.02 135.00 142.69 3mct n PRO 101 Ca 0.17 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3mct n PRO 101 Cb 0.40 -1.89 0.30 0.00 -0.02 0.00 0.00 33.50 32.29 3mct n PRO 101 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3mct n ILE 102 N -1.78 1.04 0.40 4.25 -5.35 -1.26 -2.28 119.36 114.38 3mct n ILE 102 Ca -0.01 0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.85 3mct n ILE 102 Cb 0.21 -1.03 0.10 0.00 -1.74 0.00 0.00 39.64 37.18 3mct n ILE 102 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3mct h LEU 103 N 0.00 0.00-10.35 7.28 3.38 -1.45 -3.48 115.31 110.69 3mct h LEU 103 Ca 0.00 -0.15 -0.48 0.00 0.09 0.00 0.00 57.88 57.34 3mct h LEU 103 Cb 0.24 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.14 3mct h LEU 103 CO 0.00 0.08 0.25 0.20 0.09 0.00 0.00 178.44 179.06 3mct s ASN 104 N -4.62 3.41 -1.53 -0.43 0.02 -0.96 -4.20 114.94 106.62 3mct s ASN 104 Ca 0.04 1.40 0.00 0.00 -1.02 0.00 0.00 52.86 53.27 3mct s ASN 104 Cb 0.12 -2.08 0.00 0.00 0.02 0.00 0.00 41.25 39.31 3mct s ASN 104 CO 0.75 -2.67 0.00 0.61 0.02 0.00 0.00 177.10 175.82 3mct n GLY 105 N -1.25 1.13 3.29 0.66 0.00 -1.26 -5.01 105.19 102.75 3mct n GLY 105 Ca 0.07 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3mct n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mct s LEU 106 N -3.63 2.76 0.52 0.99 1.43 -1.26 -5.00 118.68 114.49 3mct s LEU 106 Ca 0.00 -0.43 0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3mct s LEU 106 Cb 0.00 -1.69 1.26 0.00 0.03 0.00 0.00 46.19 45.80 3mct s LEU 106 CO 0.00 -0.00 2.13 0.03 0.23 0.00 0.00 176.35 178.74 3mct h ARG 107 N 7.96 0.03 -0.00 1.70 3.08 -1.95 -2.46 114.38 122.73 3mct h ARG 107 Ca -0.41 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3mct h ARG 107 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3mct h ARG 107 CO 0.61 0.02 -0.06 -0.40 -1.07 0.00 0.00 179.97 179.06 3mct n ASP 108 N -4.52 0.35 -4.02 7.04 5.75 -1.26 -4.76 116.55 115.12 3mct n ASP 108 Ca -0.01 -0.61 -0.28 0.00 -0.01 0.00 0.00 54.79 53.88 3mct n ASP 108 Cb 0.14 -0.10 -0.17 0.00 -1.03 0.00 0.00 41.12 39.97 3mct n ASP 108 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3mct s VAL 109 N -2.39 1.41 -0.19 2.12 -7.23 -0.93 -0.40 120.40 112.79 3mct s VAL 109 Ca 0.33 -0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 59.86 3mct s VAL 109 Cb 0.20 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 3mct s VAL 109 CO 0.45 0.42 0.03 -0.89 -0.31 0.00 0.00 175.10 174.80 3mct s THR 110 N 1.15 4.36 -0.17 5.32 2.01 0.12 -4.66 115.64 123.77 3mct s THR 110 Ca -0.04 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 3mct s THR 110 Cb -0.14 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 3mct s THR 110 CO -0.04 0.44 0.05 -0.76 -0.69 0.00 0.00 174.62 173.62 3mct s LEU 111 N 0.74 3.75 -0.06 4.42 1.43 -1.26 -0.47 118.68 127.23 3mct s LEU 111 Ca 0.02 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3mct s LEU 111 Cb -0.14 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3mct s LEU 111 CO 0.02 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 3mct s VAL 112 N 0.28 1.64 -0.73 -1.59 1.01 0.16 -4.95 120.40 116.22 3mct s VAL 112 Ca 0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3mct s VAL 112 Cb -0.12 -1.42 0.19 0.00 0.00 0.00 0.00 36.38 35.03 3mct s VAL 112 CO 0.01 0.47 0.62 -0.89 0.00 0.00 0.00 175.10 175.30 3mct s THR 113 N 0.18 4.88 -0.27 3.92 2.01 -1.25 -2.27 115.64 122.83 3mct s THR 113 Ca -0.09 -2.55 -0.21 0.00 0.31 0.00 0.00 61.69 59.15 3mct s THR 113 Cb -0.14 -4.07 0.07 0.00 0.01 0.00 0.00 72.50 68.37 3mct s THR 113 CO 0.04 -0.96 0.70 -0.13 -0.69 0.00 0.00 174.62 173.59 3mct s ARG 114 N 0.22 0.77 -0.23 4.92 1.81 -0.58 -4.85 118.95 121.01 3mct s ARG 114 Ca 0.16 1.10 -0.22 0.00 -1.72 0.00 0.00 55.73 55.05 3mct s ARG 114 Cb -0.15 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.61 3mct s ARG 114 CO -0.06 -0.12 0.71 -0.06 -0.68 0.00 0.00 175.30 175.09 3mct s PHE 115 N 0.95 3.32 0.30 -0.53 0.08 -1.26 -3.31 117.98 117.54 3mct s PHE 115 Ca -0.05 0.98 -0.28 0.00 0.12 0.00 0.00 56.93 57.70 3mct s PHE 115 Cb -0.05 -2.92 -0.09 0.00 -0.57 0.00 0.00 43.02 39.39 3mct s PHE 115 CO -0.09 -0.31 1.09 0.14 -0.10 0.00 0.00 175.22 175.95 3mct s VAL 116 N 2.46 3.54 0.27 -0.44 -7.23 -1.26 -5.02 120.40 112.72 3mct s VAL 116 Ca 0.31 1.47 0.02 0.00 -1.81 0.00 0.00 61.98 61.96 3mct s VAL 116 Cb -0.16 -3.90 -0.05 0.00 0.56 0.00 0.00 36.38 32.83 3mct s VAL 116 CO 0.09 0.29 0.07 1.51 -0.31 0.00 0.00 175.10 176.75 3mct s ASP 117 N -1.03 1.57 0.24 4.85 1.47 -1.26 -5.02 116.67 117.50 3mct s ASP 117 Ca 0.47 -1.35 -0.06 0.00 1.18 0.00 0.00 52.55 52.79 3mct s ASP 117 Cb -0.30 0.08 0.44 0.00 -0.34 0.00 0.00 42.92 42.80 3mct s ASP 117 CO 0.38 -0.67 1.69 -0.08 0.68 0.00 0.00 175.17 177.17 3mct h GLU 118 N 2.34 0.26 -0.82 2.11 4.81 -1.97 -0.58 114.58 120.73 3mct h GLU 118 Ca -0.39 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3mct h GLU 118 Cb 1.24 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 3mct h GLU 118 CO 0.64 0.18 0.51 1.49 -0.73 0.00 0.00 179.01 181.09 3mct h GLU 119 N 0.27 0.93 -0.47 1.92 4.81 -2.00 -2.22 114.58 117.82 3mct h GLU 119 Ca 0.40 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 3mct h GLU 119 Cb 0.67 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3mct h GLU 119 CO -0.50 0.61 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.27 3mct h TYR 120 N 0.96 1.11 -0.94 0.92 3.20 -1.57 -2.86 116.97 117.79 3mct h TYR 120 Ca 0.35 -0.27 0.10 0.00 3.14 0.00 0.00 58.73 62.05 3mct h TYR 120 Cb 0.12 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.05 3mct h TYR 120 CO -0.03 1.09 0.58 -0.07 -1.64 0.00 0.00 178.16 178.08 3mct h LEU 121 N 0.81 0.87 -0.49 2.82 3.38 -0.60 -1.40 115.31 120.71 3mct h LEU 121 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3mct h LEU 121 Cb 0.79 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3mct h LEU 121 CO 0.07 0.50 0.24 0.03 0.09 0.00 0.00 178.44 179.37 3mct h ARG 122 N 0.97 0.70 -0.36 1.13 3.08 -1.25 -1.40 114.38 117.25 3mct h ARG 122 Ca 0.44 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.29 3mct h ARG 122 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3mct h ARG 122 CO -0.23 0.58 -0.20 0.66 -1.07 0.00 0.00 179.97 179.71 3mct h SER 123 N 0.64 0.68 -0.03 7.04 4.64 -1.13 -1.83 113.55 123.56 3mct h SER 123 Ca 0.17 -0.23 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 3mct h SER 123 Cb 0.10 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3mct h SER 123 CO -0.02 0.88 -0.57 0.16 -0.87 0.00 0.00 176.83 176.41 3mct h ILE 124 N 0.60 1.31 -0.38 0.95 3.07 -1.10 -1.21 117.51 120.76 3mct h ILE 124 Ca 0.09 -1.81 0.01 0.00 1.55 0.00 0.00 64.86 64.70 3mct h ILE 124 Cb 0.67 1.77 -0.02 0.00 -0.27 0.00 0.00 36.82 38.97 3mct h ILE 124 CO 0.05 0.57 0.23 0.50 -1.05 0.00 0.00 178.15 178.45 3mct h LYS 125 N 0.47 0.46 -0.66 0.16 1.63 -1.07 0.51 116.57 118.07 3mct h LYS 125 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3mct h LYS 125 Cb 1.13 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 3mct h LYS 125 CO 0.11 0.30 0.29 0.87 -3.45 0.00 0.00 179.45 177.57 3mct h LYS 126 N 0.47 0.96 0.01 1.90 1.57 -1.21 -1.74 116.57 118.53 3mct h LYS 126 Ca 0.15 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3mct h LYS 126 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3mct h LYS 126 CO -0.06 0.76 -0.91 -0.56 -0.57 0.00 0.00 179.45 178.11 3mct h GLN 127 N 0.95 0.16 0.00 3.15 3.07 -0.35 -3.27 115.11 118.81 3mct h GLN 127 Ca 0.23 -0.19 -0.12 0.00 0.09 0.00 0.00 58.65 58.66 3mct h GLN 127 Cb 0.15 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 3mct h GLN 127 CO -0.02 0.96 -0.56 -0.07 0.09 0.00 0.00 178.83 179.23 3mct h LEU 128 N 0.08 0.00 -9.44 0.06 4.07 0.17 -3.46 115.31 106.80 3mct h LEU 128 Ca -0.04 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.30 3mct h LEU 128 Cb 1.56 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.40 3mct h LEU 128 CO 0.14 0.56 0.24 1.57 -1.08 0.00 0.00 178.44 179.87 3mct n HIS 129 N -3.38 1.39 -1.15 1.13 -0.00 -0.67 -1.03 115.22 111.51 3mct n HIS 129 Ca 0.01 0.66 -0.28 0.00 -0.00 0.00 0.00 57.72 58.11 3mct n HIS 129 Cb 0.69 -2.29 0.07 0.00 -0.00 0.00 0.00 29.99 28.47 3mct n HIS 129 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3mct n PRO 130 N 1.27 2.35 -2.88 1.57 -0.04 -1.26 -5.04 135.00 130.97 3mct n PRO 130 Ca 0.12 -2.67 -0.33 0.00 -0.04 0.00 0.00 63.50 60.58 3mct n PRO 130 Cb 0.29 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 3mct n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3mct s SER 131 N -1.11 6.85 0.09 3.54 0.01 -0.20 -5.03 113.70 117.85 3mct s SER 131 Ca 0.53 1.54 -0.30 0.00 1.31 0.00 0.00 55.95 59.02 3mct s SER 131 Cb 0.41 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 3mct s SER 131 CO -0.00 -0.33 1.01 -0.54 0.41 0.00 0.00 173.24 173.78 3mct s LYS 132 N -3.22 4.63 -0.11 12.44 -0.14 -1.26 -4.97 119.74 127.11 3mct s LYS 132 Ca 0.59 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.72 3mct s LYS 132 Cb -0.09 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 3mct s LYS 132 CO 0.16 0.09 -0.11 0.42 -0.76 0.00 0.00 175.35 175.16 3mct s ILE 133 N 0.28 3.30 -0.21 2.17 1.01 -1.26 -1.69 121.20 124.80 3mct s ILE 133 Ca 0.49 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3mct s ILE 133 Cb -0.24 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 3mct s ILE 133 CO 0.30 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 175.09 3mct s ILE 134 N -0.09 3.21 -0.15 2.92 1.01 -0.38 -0.15 121.20 127.57 3mct s ILE 134 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3mct s ILE 134 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3mct s ILE 134 CO 0.03 0.44 0.12 -0.22 0.00 0.00 0.00 174.94 175.31 3mct s LEU 135 N 1.38 4.21 -0.08 2.97 2.96 -0.73 -0.79 118.68 128.60 3mct s LEU 135 Ca 0.05 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3mct s LEU 135 Cb -0.14 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3mct s LEU 135 CO -0.04 0.32 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.57 3mct s ILE 136 N -0.49 1.13 -0.08 6.68 1.01 -0.24 -0.61 121.20 128.61 3mct s ILE 136 Ca 0.12 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3mct s ILE 136 Cb -0.12 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3mct s ILE 136 CO 0.02 0.37 -0.17 -0.55 0.00 0.00 0.00 174.94 174.61 3mct s SER 137 N 1.01 2.26 -0.14 3.58 0.15 -0.13 -1.21 113.70 119.23 3mct s SER 137 Ca -0.08 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.41 3mct s SER 137 Cb -0.15 -1.01 0.47 0.00 -1.71 0.00 0.00 66.02 63.62 3mct s SER 137 CO -0.00 0.09 1.14 -0.67 1.20 0.00 0.00 173.24 175.00 3mct n ASP 138 N 3.66 1.41 -4.77 5.45 2.03 -0.26 -2.50 116.55 121.57 3mct n ASP 138 Ca -0.21 -2.12 -0.37 0.00 0.52 0.00 0.00 54.79 52.60 3mct n ASP 138 Cb 0.52 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.52 3mct n ASP 138 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3mct s VAL 139 N -2.01 2.98 -0.08 5.18 -7.23 -1.24 -4.76 120.40 113.25 3mct s VAL 139 Ca 0.31 0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 61.19 3mct s VAL 139 Cb 0.36 -3.39 0.03 0.00 0.56 0.00 0.00 36.38 33.93 3mct s VAL 139 CO -0.10 0.01 0.19 -0.13 -0.31 0.00 0.00 175.10 174.76 3mct s ARG 140 N -2.63 0.19 0.00 4.82 0.52 -1.26 -5.01 118.95 115.58 3mct s ARG 140 Ca 0.63 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 3mct s ARG 140 Cb -0.31 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.16 3mct s ARG 140 CO 0.37 -0.08 0.60 0.43 0.02 0.00 0.00 175.30 176.64 3mct n SER 141 N 3.50 0.00 0.00 0.23 7.64 -1.26 -5.17 113.62 118.56 3mct n SER 141 Ca -0.18 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3mct n SER 141 Cb 0.56 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3mct n SER 141 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mct n PRO 148 N -1.85 -1.51 -1.50 1.43 -0.02 -1.26 -5.12 135.00 125.16 3mct n PRO 148 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3mct n PRO 148 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.57 3mct n PRO 148 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mct s SER 149 N -2.54 4.51 0.39 2.55 1.04 -1.26 -4.88 113.70 113.50 3mct s SER 149 Ca 0.00 1.40 0.10 0.00 0.48 0.00 0.00 55.95 57.93 3mct s SER 149 Cb 0.00 -2.15 0.79 0.00 0.10 0.00 0.00 66.02 64.76 3mct s SER 149 CO 0.00 -1.97 1.91 0.74 0.98 0.00 0.00 173.24 174.89 3mct h THR 150 N -1.09 1.18 -0.67 2.02 2.02 -1.99 -1.84 112.91 112.54 3mct h THR 150 Ca -0.47 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3mct h THR 150 Cb 1.26 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3mct h THR 150 CO 0.58 0.25 0.38 0.00 0.37 0.00 0.00 175.52 177.10 3mct h ALA 151 N 1.65 0.86 -0.37 6.16 0.00 -1.92 -0.08 119.26 125.57 3mct h ALA 151 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mct h ALA 151 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3mct h ALA 151 CO 0.03 0.37 0.13 -0.44 0.00 0.00 0.00 179.25 179.33 3mct h ASP 152 N 0.92 0.52 0.64 0.00 3.32 -1.80 -2.60 116.42 117.43 3mct h ASP 152 Ca 0.24 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3mct h ASP 152 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3mct h ASP 152 CO -0.04 0.58 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.53 3mct h LEU 153 N 0.44 -1.20 -0.84 1.55 3.38 -0.82 -0.85 115.31 116.98 3mct h LEU 153 Ca 0.12 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.34 3mct h LEU 153 Cb 0.23 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 3mct h LEU 153 CO -0.01 -0.68 0.38 -0.07 0.09 0.00 0.00 178.44 178.15 3mct h LEU 154 N -1.06 0.37 -0.94 1.67 3.38 -1.07 0.30 115.31 117.97 3mct h LEU 154 Ca -0.08 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3mct h LEU 154 Cb 0.88 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3mct h LEU 154 CO 0.04 0.10 0.03 -1.28 0.09 0.00 0.00 178.44 177.42 3mct h SER 155 N 0.48 0.77 -0.25 -0.43 0.87 -1.28 0.12 113.55 113.83 3mct h SER 155 Ca 0.49 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3mct h SER 155 Cb 0.80 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3mct h SER 155 CO -0.44 0.82 -0.19 0.78 -0.53 0.00 0.00 176.83 177.26 3mct h ASN 156 N 0.76 0.60 -0.28 6.23 -0.26 0.91 -1.77 115.58 121.77 3mct h ASN 156 Ca 0.15 -0.45 -0.07 0.00 -0.56 0.00 0.00 56.30 55.38 3mct h ASN 156 Cb 0.42 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 3mct h ASN 156 CO 0.01 0.92 -0.03 1.88 -1.06 0.00 0.00 177.43 179.15 3mct h TYR 157 N 0.29 0.68 -0.48 1.19 0.05 -0.38 -0.61 116.97 117.70 3mct h TYR 157 Ca 0.05 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.62 3mct h TYR 157 Cb 0.73 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 3mct h TYR 157 CO 0.07 0.67 -0.18 0.00 -1.05 0.00 0.00 178.16 177.67 3mct h ALA 158 N 1.37 0.78 -0.63 3.88 0.00 -0.68 -2.02 119.26 121.96 3mct h ALA 158 Ca 0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3mct h ALA 158 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3mct h ALA 158 CO 0.02 0.66 0.05 1.25 0.00 0.00 0.00 179.25 181.23 3mct h LEU 159 N 0.83 1.04 -0.86 0.00 5.85 -0.85 -2.36 115.31 118.97 3mct h LEU 159 Ca 0.12 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3mct h LEU 159 Cb 0.73 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3mct h LEU 159 CO 0.06 1.07 0.28 1.56 -0.34 0.00 0.00 178.44 181.06 3mct h GLN 160 N 0.99 1.12 -0.54 1.25 4.20 -0.91 -1.52 115.11 119.69 3mct h GLN 160 Ca 0.19 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3mct h GLN 160 Cb 0.50 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3mct h GLN 160 CO 0.02 0.92 0.01 -0.91 -0.67 0.00 0.00 178.83 178.20 3mct h ASN 161 N 1.09 0.89 0.59 1.46 2.35 -1.17 -2.35 115.58 118.44 3mct h ASN 161 Ca 0.25 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3mct h ASN 161 Cb 0.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3mct h ASN 161 CO -0.02 0.94 -0.17 0.58 -1.65 0.00 0.00 177.43 177.11 3mct h VAL 162 N 0.85 0.57 -0.21 2.81 2.07 -0.95 -1.34 116.25 120.06 3mct h VAL 162 Ca 0.16 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3mct h VAL 162 Cb 0.49 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3mct h VAL 162 CO 0.02 0.17 -0.08 0.24 0.02 0.00 0.00 177.57 177.94 3mct h MET 163 N 0.00 0.43 -0.15 1.57 2.86 -0.75 -1.57 114.93 117.32 3mct h MET 163 Ca -0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 3mct h MET 163 Cb 0.51 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3mct h MET 163 CO 0.02 0.69 -0.08 0.82 1.06 0.00 0.00 176.91 179.42 3mct h ILE 164 N 0.14 1.32 -0.22 -1.22 2.04 -1.26 0.19 117.51 118.51 3mct h ILE 164 Ca 0.05 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3mct h ILE 164 Cb 0.55 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3mct h ILE 164 CO 0.03 0.33 0.12 0.77 0.00 0.00 0.00 178.15 179.40 3mct h SER 165 N -0.00 0.27 -0.01 1.72 4.64 -1.26 0.57 113.55 119.48 3mct h SER 165 Ca 0.03 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3mct h SER 165 Cb 0.56 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3mct h SER 165 CO 0.02 0.28 -0.03 0.40 -0.87 0.00 0.00 176.83 176.63 3mct h ILE 166 N 0.24 1.49 0.00 0.95 2.04 -1.32 -3.30 117.51 117.61 3mct h ILE 166 Ca 0.08 -1.50 -0.11 0.00 1.00 0.00 0.00 64.86 64.33 3mct h ILE 166 Cb 0.07 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3mct h ILE 166 CO -0.01 0.40 -0.51 -0.07 0.00 0.00 0.00 178.15 177.96 3mct h LEU 167 N -0.57 0.00 -3.18 1.44 4.07 -0.63 -3.48 115.31 112.97 3mct h LEU 167 Ca -0.00 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.53 3mct h LEU 167 Cb 0.66 0.00 0.09 0.00 1.08 0.00 0.00 40.66 42.49 3mct h LEU 167 CO 0.01 0.51 -0.94 -3.20 -1.08 0.00 0.00 178.44 173.74 3mct n ASN 168 N -3.66 -5.31 -4.82 -0.43 4.05 0.20 -4.85 115.26 100.44 3mct n ASN 168 Ca -0.01 -1.01 -0.32 0.00 0.45 0.00 0.00 54.58 53.70 3mct n ASN 168 Cb 0.57 -3.43 0.02 0.00 1.23 0.00 0.00 39.78 38.18 3mct n ASN 168 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3mct s PRO 169 N -5.94 3.23 0.42 1.20 0.04 -1.26 -4.71 135.00 127.98 3mct s PRO 169 Ca 0.47 1.01 0.26 0.00 0.04 0.00 0.00 61.00 62.77 3mct s PRO 169 Cb -0.16 -2.03 0.65 0.00 0.04 0.00 0.00 34.50 33.00 3mct s PRO 169 CO 0.86 -0.87 1.72 -0.39 0.04 0.00 0.00 177.00 178.36 3mct h VAL 170 N -0.16 0.00 -2.72 -0.36 -1.51 -0.87 -3.41 116.25 107.22 3mct h VAL 170 Ca -0.45 -0.78 0.04 0.00 -1.23 0.00 0.00 66.70 64.28 3mct h VAL 170 Cb 1.21 1.77 -0.12 0.00 -2.13 0.00 0.00 31.29 32.01 3mct h VAL 170 CO 0.58 0.00 0.32 0.00 -1.23 0.00 0.00 177.57 177.24 3mct s ALA 171 N -3.29 -1.64 0.02 5.19 0.00 -1.25 -0.35 121.76 120.43 3mct s ALA 171 Ca 0.06 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 3mct s ALA 171 Cb 0.07 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.94 3mct s ALA 171 CO 0.62 -0.78 0.41 -1.54 0.00 0.00 0.00 175.76 174.47 3mct s SER 172 N -2.69 -0.30 -0.12 0.00 1.04 0.92 -1.77 113.70 110.79 3mct s SER 172 Ca 0.04 0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 3mct s SER 172 Cb -0.01 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3mct s SER 172 CO -0.09 -0.60 -0.09 -0.55 0.98 0.00 0.00 173.24 172.89 3mct s SER 173 N -1.72 2.24 0.04 7.02 0.15 0.22 -0.64 113.70 121.01 3mct s SER 173 Ca -0.08 -0.34 0.07 0.00 0.70 0.00 0.00 55.95 56.30 3mct s SER 173 Cb -0.02 -0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 3mct s SER 173 CO 0.01 -0.09 -0.20 -0.76 1.20 0.00 0.00 173.24 173.39 3mct s LEU 174 N 1.58 2.15 0.12 3.45 1.43 0.46 -0.95 118.68 126.92 3mct s LEU 174 Ca 0.03 -0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 3mct s LEU 174 Cb -0.13 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 3mct s LEU 174 CO -0.08 0.17 1.45 -0.75 0.23 0.00 0.00 176.35 177.37 3mct s LYS 175 N -1.08 4.28 -0.18 1.70 2.20 -1.04 -0.04 119.74 125.59 3mct s LYS 175 Ca 0.07 2.16 -0.05 0.00 -0.36 0.00 0.00 55.97 57.80 3mct s LYS 175 Cb -0.09 -3.26 0.07 0.00 -1.51 0.00 0.00 37.83 33.04 3mct s LYS 175 CO 0.01 -0.51 0.13 -0.46 -0.36 0.00 0.00 175.35 174.17 3mct s TRP 176 N 1.27 0.04 -0.12 4.03 -0.00 -0.34 -4.84 118.94 118.99 3mct s TRP 176 Ca 0.67 -0.14 -0.02 0.00 -0.00 0.00 0.00 56.10 56.60 3mct s TRP 176 Cb -0.39 -0.59 0.04 0.00 -0.00 0.00 0.00 33.47 32.54 3mct s TRP 176 CO 0.30 -0.53 0.02 0.50 -0.00 0.00 0.00 176.95 177.24 3mct s ARG 177 N 2.20 0.54 0.29 5.86 3.52 -1.26 -0.81 118.95 129.29 3mct s ARG 177 Ca 0.04 -0.09 -0.29 0.00 -0.13 0.00 0.00 55.73 55.25 3mct s ARG 177 Cb -0.16 -1.44 -0.10 0.00 -1.56 0.00 0.00 34.95 31.69 3mct s ARG 177 CO -0.10 -0.46 1.35 0.00 -0.81 0.00 0.00 175.30 175.28 3mct n PRO 179 N 1.55 1.09 -2.45 0.00 -0.02 -1.26 -4.93 135.00 128.97 3mct n PRO 179 Ca 0.03 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3mct n PRO 179 Cb 0.41 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3mct n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3mct s PHE 180 N -1.42 3.53 0.26 6.00 0.08 -1.26 -4.79 117.98 120.37 3mct s PHE 180 Ca 0.80 1.58 -0.06 0.00 0.12 0.00 0.00 56.93 59.36 3mct s PHE 180 Cb -0.40 -3.33 0.47 0.00 -0.57 0.00 0.00 43.02 39.19 3mct s PHE 180 CO 0.43 -0.78 1.61 -1.00 -0.10 0.00 0.00 175.22 175.38 3mct h PRO 181 N 4.65 0.06 0.00 0.24 0.13 -1.89 0.27 132.00 135.47 3mct h PRO 181 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mct h PRO 181 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mct h PRO 181 CO 0.71 0.04 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 3mct n ASP 182 N -5.42 0.00 -1.33 1.44 5.75 -1.26 -1.73 116.55 114.01 3mct n ASP 182 Ca 0.15 -0.35 -0.00 0.00 -0.01 0.00 0.00 54.79 54.58 3mct n ASP 182 Cb 0.51 -0.05 0.11 0.00 -1.03 0.00 0.00 41.12 40.65 3mct n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mct n GLN 183 N -1.05 1.46 -2.39 0.11 6.02 0.95 -5.07 117.38 117.41 3mct n GLN 183 Ca 0.10 -3.08 -0.37 0.00 -0.01 0.00 0.00 57.00 53.63 3mct n GLN 183 Cb 0.06 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 3mct n GLN 183 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3mct s TRP 184 N -2.41 3.10 0.10 1.08 -0.11 -0.70 -4.70 118.94 115.30 3mct s TRP 184 Ca 0.38 1.59 0.00 0.00 1.22 0.00 0.00 56.10 59.29 3mct s TRP 184 Cb 0.38 -3.28 0.00 0.00 -1.50 0.00 0.00 33.47 29.07 3mct s TRP 184 CO -0.08 -1.08 0.00 -0.89 -4.62 0.00 0.00 176.95 170.28 3mct n ILE 185 N -0.15 0.94 -3.47 5.86 5.41 -1.26 -5.12 119.36 121.58 3mct n ILE 185 Ca 0.05 0.31 -0.13 0.00 1.00 0.00 0.00 62.75 63.98 3mct n ILE 185 Cb 0.48 -1.46 -0.03 0.00 -0.71 0.00 0.00 39.64 37.92 3mct n ILE 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3mct s LYS 186 N -2.00 1.12 0.62 0.38 -2.85 -1.26 -5.15 119.74 110.60 3mct s LYS 186 Ca 0.00 -0.22 -0.17 0.00 -1.00 0.00 0.00 55.97 54.58 3mct s LYS 186 Cb 0.00 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.27 3mct s LYS 186 CO 0.00 -0.45 1.13 -0.51 0.10 0.00 0.00 175.35 175.62 3mct s ASP 187 N -2.21 5.23 0.27 0.03 1.01 -1.26 -4.97 116.67 114.76 3mct s ASP 187 Ca -0.02 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.23 3mct s ASP 187 Cb -0.01 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3mct s ASP 187 CO -0.06 -1.55 0.52 0.72 0.21 0.00 0.00 175.17 175.02 3mct s PHE 188 N -2.07 0.37 0.10 4.23 -0.71 -0.97 -4.95 117.98 113.99 3mct s PHE 188 Ca 0.70 -0.75 0.07 0.00 -1.04 0.00 0.00 56.93 55.92 3mct s PHE 188 Cb -0.23 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 3mct s PHE 188 CO 0.36 -1.07 -0.12 0.71 -1.34 0.00 0.00 175.22 173.76 3mct s TYR 189 N -3.79 2.70 0.06 3.49 1.51 -1.26 0.99 117.35 121.04 3mct s TYR 189 Ca 0.22 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 3mct s TYR 189 Cb -0.01 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 3mct s TYR 189 CO 0.10 0.41 -0.06 0.96 -1.11 0.00 0.00 175.55 175.85 3mct s ILE 190 N -1.17 0.49 0.69 2.71 -4.36 -0.55 -4.91 121.20 114.08 3mct s ILE 190 Ca 0.20 -1.46 -0.17 0.00 -0.26 0.00 0.00 60.65 58.96 3mct s ILE 190 Cb -0.11 -1.07 0.01 0.00 1.25 0.00 0.00 42.46 42.54 3mct s ILE 190 CO 0.12 -0.66 1.26 -2.65 0.24 0.00 0.00 174.94 173.25 3mct n PRO 191 N 0.75 0.89 -2.67 0.37 -0.02 -1.26 -0.77 135.00 132.29 3mct n PRO 191 Ca -0.18 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 3mct n PRO 191 Cb 0.58 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 3mct n PRO 191 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3mct s HIS 192 N -1.56 3.80 0.03 6.00 2.46 -0.65 -4.68 115.29 120.69 3mct s HIS 192 Ca 0.81 1.78 -0.27 0.00 0.47 0.00 0.00 55.06 57.85 3mct s HIS 192 Cb -0.36 -3.10 0.09 0.00 -0.13 0.00 0.00 32.58 29.08 3mct s HIS 192 CO 0.43 0.05 1.23 0.20 -2.47 0.00 0.00 174.74 174.18 3mct s GLY 193 N -0.37 -0.06 -0.03 1.59 0.00 -1.26 -4.69 107.32 102.49 3mct s GLY 193 Ca 0.46 -0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.87 3mct s GLY 193 CO 0.32 5.11 0.70 -1.31 0.00 0.00 0.00 173.10 177.92 3mct s ASN 194 N -3.75 7.04 -1.15 1.64 -0.87 -0.28 -4.81 114.94 112.77 3mct s ASN 194 Ca 0.28 1.25 -0.17 0.00 -1.57 0.00 0.00 52.86 52.65 3mct s ASN 194 Cb -0.01 -2.42 0.12 0.00 -0.02 0.00 0.00 41.25 38.92 3mct s ASN 194 CO 0.01 -0.05 1.45 -0.54 -2.57 0.00 0.00 177.10 175.41 3mct s LYS 195 N 0.41 3.90 0.09 -0.60 -0.14 -1.26 -1.37 119.74 120.77 3mct s LYS 195 Ca 0.37 -2.06 -0.31 0.00 -1.36 0.00 0.00 55.97 52.61 3mct s LYS 195 Cb -0.19 -5.20 -0.08 0.00 -1.68 0.00 0.00 37.83 30.69 3mct s LYS 195 CO 0.19 -1.96 1.44 1.41 -0.76 0.00 0.00 175.35 175.68 3mct s MET 196 N 2.97 4.29 0.36 1.68 -2.45 0.16 -1.64 119.30 124.66 3mct s MET 196 Ca 0.44 2.11 -0.24 0.00 -1.25 0.00 0.00 55.69 56.75 3mct s MET 196 Cb -0.01 -3.35 -0.10 0.00 1.25 0.00 0.00 34.83 32.61 3mct s MET 196 CO -0.01 -0.52 0.95 -0.51 1.05 0.00 0.00 175.02 175.97 3mct s LEU 197 N 1.58 4.19 -0.32 4.11 1.02 -0.62 -1.83 118.68 126.82 3mct s LEU 197 Ca 0.66 1.79 -0.02 0.00 0.02 0.00 0.00 54.13 56.58 3mct s LEU 197 Cb -0.37 -4.21 0.06 0.00 0.02 0.00 0.00 46.19 41.70 3mct s LEU 197 CO 0.30 -0.18 0.04 -1.10 0.02 0.00 0.00 176.35 175.43 3mct s GLN 198 N -2.46 2.34 0.49 1.70 -0.21 -1.26 -4.96 119.66 115.30 3mct s GLN 198 Ca 0.55 -1.37 -0.22 0.00 0.02 0.00 0.00 55.36 54.33 3mct s GLN 198 Cb -0.15 -3.26 -0.06 0.00 1.00 0.00 0.00 33.01 30.53 3mct s GLN 198 CO 0.20 -0.71 1.19 -1.25 -2.12 0.00 0.00 175.29 172.60 3mct s PRO 199 N 1.23 3.55 -0.58 2.91 0.04 -1.26 -2.74 135.00 138.15 3mct s PRO 199 Ca -0.02 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3mct s PRO 199 Cb -0.20 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3mct s PRO 199 CO -0.02 -0.74 0.00 1.19 0.04 0.00 0.00 177.00 177.47 3mct n PHE 200 N -0.77 0.00 -1.52 0.56 3.72 -1.26 -4.56 117.46 113.63 3mct n PHE 200 Ca 0.09 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.19 3mct n PHE 200 Cb 0.48 -1.32 0.09 0.00 -0.94 0.00 0.00 39.48 37.80 3mct n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mct s ALA 201 N -2.12 2.22 0.70 4.37 0.00 -1.11 -4.56 121.76 121.26 3mct s ALA 201 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 3mct s ALA 201 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 3mct s ALA 201 CO 0.00 -1.75 0.98 -2.30 0.00 0.00 0.00 175.76 172.69 3mct n PRO 202 N -3.45 0.59 -0.30 0.00 -0.02 -1.26 -4.83 135.00 125.73 3mct n PRO 202 Ca 0.07 0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 3mct n PRO 202 Cb 0.56 -2.23 0.20 0.00 -0.02 0.00 0.00 33.50 32.01 3mct n PRO 202 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3mct n SER 203 N -1.55 -0.17 -0.55 2.55 7.64 -0.22 -1.49 113.62 119.83 3mct n SER 203 Ca 0.13 1.44 0.06 0.00 1.01 0.00 0.00 58.87 61.51 3mct n SER 203 Cb 0.49 -0.49 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 3mct n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3mct n TYR 204 N -5.28 0.31 -2.34 1.43 4.01 -1.26 -4.73 117.16 109.30 3mct n TYR 204 Ca 0.18 -1.26 -0.41 0.00 -0.16 0.00 0.00 57.90 56.24 3mct n TYR 204 Cb 0.57 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 3mct n TYR 204 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3mct s SER 205 N -2.83 7.08 -0.04 7.72 0.15 -0.55 -4.93 113.70 120.29 3mct s SER 205 Ca 0.38 2.38 0.18 0.00 0.70 0.00 0.00 55.95 59.59 3mct s SER 205 Cb 0.34 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.60 3mct s SER 205 CO -0.00 -0.32 1.49 0.00 1.20 0.00 0.00 173.24 175.61 3mct n ALA 206 N 1.47 2.56 -1.83 5.45 0.00 -1.26 -4.92 120.51 121.97 3mct n ALA 206 Ca 0.01 -1.41 -0.40 0.00 0.00 0.00 0.00 53.44 51.65 3mct n ALA 206 Cb 0.44 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 3mct n ALA 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mct s GLU 207 N -1.34 4.75 0.35 0.00 2.12 -1.26 -4.57 118.70 118.74 3mct s GLU 207 Ca 0.43 1.37 0.07 0.00 0.36 0.00 0.00 54.97 57.20 3mct s GLU 207 Cb 0.25 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 3mct s GLU 207 CO 0.25 0.52 0.27 0.00 -0.54 0.00 0.00 175.26 175.76 3mct s MET 208 N -1.24 1.80 -0.11 4.30 0.23 0.01 -4.60 119.30 119.69 3mct s MET 208 Ca 0.40 -2.06 0.03 0.00 -1.03 0.00 0.00 55.69 53.04 3mct s MET 208 Cb -0.25 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.28 3mct s MET 208 CO 0.30 -0.64 -0.23 1.03 -2.03 0.00 0.00 175.02 173.44 3mct s ARG 209 N -3.45 2.99 -0.33 3.16 1.81 -0.76 -1.20 118.95 121.18 3mct s ARG 209 Ca 0.39 -0.85 -0.20 0.00 -1.72 0.00 0.00 55.73 53.34 3mct s ARG 209 Cb 0.02 -2.31 -0.00 0.00 -0.45 0.00 0.00 34.95 32.21 3mct s ARG 209 CO 0.27 0.12 0.63 -1.17 -0.68 0.00 0.00 175.30 174.46 3mct s LEU 210 N 0.50 4.19 -0.21 2.53 2.96 0.95 -0.67 118.68 128.93 3mct s LEU 210 Ca -0.15 0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3mct s LEU 210 Cb -0.17 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 3mct s LEU 210 CO 0.06 -0.52 0.02 -0.76 -1.32 0.00 0.00 176.35 173.82 3mct s LEU 211 N 2.64 3.30 0.03 -0.68 1.43 -0.47 -0.40 118.68 124.53 3mct s LEU 211 Ca 0.25 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3mct s LEU 211 Cb -0.15 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3mct s LEU 211 CO 0.13 0.04 -0.10 -0.44 0.23 0.00 0.00 176.35 176.20 3mct s SER 212 N 1.16 1.21 -0.12 2.29 0.01 0.19 -1.12 113.70 117.32 3mct s SER 212 Ca 0.03 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3mct s SER 212 Cb -0.14 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.04 3mct s SER 212 CO 0.02 -0.03 -0.18 -0.63 0.41 0.00 0.00 173.24 172.82 3mct s ILE 213 N -0.87 1.75 -0.41 1.44 1.01 -1.26 -0.06 121.20 122.81 3mct s ILE 213 Ca -0.02 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3mct s ILE 213 Cb -0.07 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3mct s ILE 213 CO 0.01 0.49 0.37 -0.31 0.00 0.00 0.00 174.94 175.50 3mct s TYR 214 N 0.90 3.20 -0.02 3.97 2.02 0.53 -4.96 117.35 123.00 3mct s TYR 214 Ca -0.07 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3mct s TYR 214 Cb -0.15 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 3mct s TYR 214 CO -0.02 -0.62 0.17 0.99 -1.57 0.00 0.00 175.55 174.51 3mct s THR 215 N 1.93 5.38 0.00 -0.71 2.01 -1.26 -4.85 115.64 118.13 3mct s THR 215 Ca 0.09 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.93 3mct s THR 215 Cb -0.18 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3mct s THR 215 CO 0.12 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3mct n GLY 216 N 1.04 0.60 0.76 4.40 0.00 -1.26 -3.93 105.19 106.81 3mct n GLY 216 Ca -0.12 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.11 3mct n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mct n GLU 217 N 0.00 2.82 -2.59 1.61 0.28 -1.26 -5.02 120.64 116.48 3mct n GLU 217 Ca 0.00 -2.61 -0.24 0.00 -0.16 0.00 0.00 57.16 54.15 3mct n GLU 217 Cb 0.00 -1.67 0.03 0.00 1.43 0.00 0.00 31.44 31.23 3mct n GLU 217 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3mct s ASN 218 N -1.75 5.42 -0.23 -1.84 -0.87 -1.25 -5.10 114.94 109.32 3mct s ASN 218 Ca 0.36 0.35 -0.03 0.00 -1.57 0.00 0.00 52.86 51.97 3mct s ASN 218 Cb 0.28 -1.31 0.12 0.00 -0.02 0.00 0.00 41.25 40.31 3mct s ASN 218 CO 0.10 -1.09 0.32 -0.32 -2.57 0.00 0.00 177.10 173.54 3mct s MET 219 N -4.86 0.29 -0.09 -0.60 1.75 -1.26 -4.82 119.30 109.72 3mct s MET 219 Ca 0.54 0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 55.25 3mct s MET 219 Cb -0.10 -0.75 -0.05 0.00 2.84 0.00 0.00 34.83 36.76 3mct s MET 219 CO 0.41 -0.66 0.32 0.50 -0.65 0.00 0.00 175.02 174.95 3mct s ARG 220 N 2.46 3.99 0.37 4.11 3.52 -1.26 -5.07 118.95 127.08 3mct s ARG 220 Ca 0.10 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 3mct s ARG 220 Cb -0.15 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.85 3mct s ARG 220 CO -0.15 0.49 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.31 3mct s LEU 221 N -0.35 2.70 -0.02 -0.88 1.43 -1.26 -1.63 118.68 118.66 3mct s LEU 221 Ca 0.20 -1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 51.97 3mct s LEU 221 Cb -0.14 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.27 3mct s LEU 221 CO 0.08 -0.41 0.06 0.42 0.23 0.00 0.00 176.35 176.73 3mct s THR 222 N -2.80 -0.02 0.37 5.49 -4.23 0.05 -4.74 115.64 109.75 3mct s THR 222 Ca 0.34 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.66 3mct s THR 222 Cb 0.07 -0.10 -0.10 0.00 1.34 0.00 0.00 72.50 73.72 3mct s THR 222 CO 0.17 0.02 0.99 -0.60 -0.54 0.00 0.00 174.62 174.66 3mct s ARG 223 N 0.34 4.38 -0.13 3.99 3.52 -1.26 -1.49 118.95 128.30 3mct s ARG 223 Ca -0.03 1.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.96 3mct s ARG 223 Cb -0.04 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.75 3mct s ARG 223 CO -0.01 0.08 -0.15 0.54 -0.81 0.00 0.00 175.30 174.95 3mct s VAL 224 N -1.70 1.58 0.40 7.11 0.11 0.28 -4.96 120.40 123.22 3mct s VAL 224 Ca 0.55 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 3mct s VAL 224 Cb -0.19 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 3mct s VAL 224 CO 0.24 0.46 0.27 0.42 -3.33 0.00 0.00 175.10 173.16 3mct s THR 225 N 1.25 2.60 0.33 5.04 -4.23 -1.26 -2.28 115.64 117.09 3mct s THR 225 Ca -0.00 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3mct s THR 225 Cb -0.14 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3mct s THR 225 CO -0.07 -0.03 1.97 0.50 -0.54 0.00 0.00 174.62 176.46 3mct h LYS 226 N 1.24 0.91 -0.21 3.99 3.64 -1.97 0.14 116.57 124.30 3mct h LYS 226 Ca -0.42 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 3mct h LYS 226 Cb 1.26 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3mct h LYS 226 CO 0.63 0.60 -0.11 0.66 -2.27 0.00 0.00 179.45 178.96 3mct h SER 227 N 0.93 0.32 -0.32 4.20 4.64 -1.99 0.14 113.55 121.48 3mct h SER 227 Ca 0.29 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3mct h SER 227 Cb 0.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3mct h SER 227 CO -0.08 0.46 -0.27 0.44 -0.87 0.00 0.00 176.83 176.52 3mct h ASP 228 N 0.32 0.79 -0.54 4.97 3.32 -1.23 -1.89 116.42 122.16 3mct h ASP 228 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3mct h ASP 228 Cb 0.39 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3mct h ASP 228 CO 0.02 1.08 0.36 0.00 -1.72 0.00 0.00 179.24 178.98 3mct h ALA 229 N 0.73 1.61 -0.44 3.45 0.00 0.07 0.55 119.26 125.23 3mct h ALA 229 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3mct h ALA 229 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3mct h ALA 229 CO 0.07 0.36 -0.29 0.28 0.00 0.00 0.00 179.25 179.67 3mct h VAL 230 N 0.74 1.27 -0.27 0.00 2.07 -0.50 -2.64 116.25 116.91 3mct h VAL 230 Ca 0.20 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3mct h VAL 230 Cb -0.08 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3mct h VAL 230 CO -0.04 0.50 0.05 -1.13 0.02 0.00 0.00 177.57 176.96 3mct h ASN 231 N 0.82 0.43 -0.71 0.57 -0.73 -0.43 -2.74 115.58 112.79 3mct h ASN 231 Ca 0.09 -0.26 0.07 0.00 1.87 0.00 0.00 56.30 58.07 3mct h ASN 231 Cb 0.88 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.29 3mct h ASN 231 CO 0.08 0.57 0.39 1.88 -0.37 0.00 0.00 177.43 179.99 3mct h TYR 232 N 0.26 0.72 -0.46 0.67 0.05 -0.89 -0.82 116.97 116.50 3mct h TYR 232 Ca 0.08 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3mct h TYR 232 Cb 0.33 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3mct h TYR 232 CO 0.02 0.32 0.25 1.49 -1.05 0.00 0.00 178.16 179.19 3mct h GLU 233 N 0.70 0.64 -0.03 4.88 4.81 -1.41 -0.64 114.58 123.53 3mct h GLU 233 Ca 0.33 -0.08 -0.25 0.00 -0.13 0.00 0.00 59.36 59.23 3mct h GLU 233 Cb 0.25 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.52 3mct h GLU 233 CO -0.21 0.51 -0.97 0.87 -0.73 0.00 0.00 179.01 178.48 3mct h LYS 234 N 0.60 0.68 -0.18 1.92 1.57 -1.16 -1.14 116.57 118.86 3mct h LYS 234 Ca 0.16 -0.68 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 3mct h LYS 234 Cb 0.06 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3mct h LYS 234 CO -0.03 1.27 -0.10 0.87 -0.57 0.00 0.00 179.45 180.90 3mct h LYS 235 N 0.40 0.39 -0.11 3.15 1.79 -1.19 -0.86 116.57 120.15 3mct h LYS 235 Ca -0.10 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.09 3mct h LYS 235 Cb 1.61 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 3mct h LYS 235 CO 0.19 0.70 -0.36 0.52 -1.08 0.00 0.00 179.45 179.42 3mct h MET 236 N 0.07 0.22 -0.26 3.15 2.86 -1.18 -1.63 114.93 118.17 3mct h MET 236 Ca 0.04 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 3mct h MET 236 Cb 0.60 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3mct h MET 236 CO 0.03 0.56 -0.42 -0.92 1.06 0.00 0.00 176.91 177.22 3mct h TYR 237 N 0.19 0.75 -0.48 -0.22 3.20 -1.14 -1.35 116.97 117.92 3mct h TYR 237 Ca 0.02 -0.22 -0.12 0.00 3.14 0.00 0.00 58.73 61.55 3mct h TYR 237 Cb 0.74 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3mct h TYR 237 CO 0.01 0.94 -0.16 -0.92 -1.64 0.00 0.00 178.16 176.40 3mct h TYR 238 N 0.51 1.07 -0.09 -3.82 3.20 -1.12 -0.82 116.97 115.90 3mct h TYR 238 Ca 0.04 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 3mct h TYR 238 Cb 0.94 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3mct h TYR 238 CO 0.04 1.04 0.05 1.25 -1.64 0.00 0.00 178.16 178.91 3mct h LEU 239 N 0.79 0.12 0.04 2.82 5.85 -1.09 -1.93 115.31 121.91 3mct h LEU 239 Ca 0.11 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mct h LEU 239 Cb 0.72 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3mct h LEU 239 CO 0.06 0.18 -0.02 0.78 -0.34 0.00 0.00 178.44 179.09 3mct h ASN 240 N 0.05 -0.05 -0.28 1.25 2.35 -1.23 0.37 115.58 118.05 3mct h ASN 240 Ca 0.03 -0.36 -0.15 0.00 -0.55 0.00 0.00 56.30 55.28 3mct h ASN 240 Cb 0.08 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3mct h ASN 240 CO -0.01 0.34 -0.41 0.50 -1.65 0.00 0.00 177.43 176.20 3mct h LYS 241 N -0.44 0.77 0.00 0.81 1.63 -1.23 -3.38 116.57 114.73 3mct h LYS 241 Ca -0.01 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3mct h LYS 241 Cb 0.40 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3mct h LYS 241 CO 0.01 1.09 -0.93 -0.89 -3.45 0.00 0.00 179.45 175.27 3mct n ILE 242 N -4.15 1.44 0.35 2.00 2.08 -0.74 -4.53 119.36 115.82 3mct n ILE 242 Ca -0.04 0.16 -0.17 0.00 0.56 0.00 0.00 62.75 63.26 3mct n ILE 242 Cb 0.55 -2.29 -0.09 0.00 -0.75 0.00 0.00 39.64 37.06 3mct n ILE 242 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3mct h VAL 243 N -0.93 0.32 0.00 1.39 2.07 -1.33 -2.96 116.25 114.81 3mct h VAL 243 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3mct h VAL 243 Cb 0.93 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3mct h VAL 243 CO 0.00 0.02 0.00 0.54 0.02 0.00 0.00 177.57 178.15 3mct n ARG 244 N -5.43 0.04 -0.24 1.57 1.74 0.07 -0.87 116.66 113.55 3mct n ARG 244 Ca -0.13 0.49 0.10 0.00 -0.77 0.00 0.00 57.85 57.54 3mct n ARG 244 Cb 0.36 -1.61 0.26 0.00 -1.02 0.00 0.00 32.46 30.45 3mct n ARG 244 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mct n ASN 245 N -1.69 2.93 -4.87 0.55 3.02 -1.12 -4.48 115.26 109.59 3mct n ASN 245 Ca 0.00 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.27 3mct n ASN 245 Cb 0.04 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 3mct n ASN 245 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mct s LYS 246 N -1.38 3.83 -0.32 3.52 -0.14 -0.05 -4.74 119.74 120.47 3mct s LYS 246 Ca 0.37 0.30 -0.07 0.00 -1.36 0.00 0.00 55.97 55.21 3mct s LYS 246 Cb 0.20 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.66 3mct s LYS 246 CO 0.27 0.36 0.11 0.08 -0.76 0.00 0.00 175.35 175.41 3mct s VAL 247 N -1.74 4.04 -1.16 3.17 1.01 0.25 -1.03 120.40 124.94 3mct s VAL 247 Ca 0.45 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3mct s VAL 247 Cb -0.12 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.18 3mct s VAL 247 CO 0.21 -0.03 1.56 -0.69 0.00 0.00 0.00 175.10 176.15 3mct s VAL 248 N 1.49 4.15 -0.70 2.92 1.01 0.33 -0.42 120.40 129.19 3mct s VAL 248 Ca 0.02 -1.50 0.11 0.00 0.00 0.00 0.00 61.98 60.61 3mct s VAL 248 Cb -0.18 -5.09 0.11 0.00 0.00 0.00 0.00 36.38 31.21 3mct s VAL 248 CO 0.03 -1.93 1.34 1.33 0.00 0.00 0.00 175.10 175.88 3mct n VAL 249 N 6.39 1.45 -0.94 2.92 0.24 -0.17 -0.64 118.33 127.58 3mct n VAL 249 Ca 0.40 0.51 0.07 0.00 -2.04 0.00 0.00 64.34 63.28 3mct n VAL 249 Cb 0.48 -1.47 0.37 0.00 -1.47 0.00 0.00 33.84 31.75 3mct n VAL 249 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3mct n ASN 250 N -1.81 5.35 -4.24 -1.34 2.04 -1.26 -4.78 115.26 109.23 3mct n ASN 250 Ca 0.00 -2.97 -0.42 0.00 -0.44 0.00 0.00 54.58 50.75 3mct n ASN 250 Cb 0.06 -0.66 -0.07 0.00 -2.53 0.00 0.00 39.78 36.57 3mct n ASN 250 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3mct s PHE 251 N -2.80 3.41 -0.69 -2.53 5.36 0.18 -4.97 117.98 115.94 3mct s PHE 251 Ca 0.52 -1.80 -0.27 0.00 -0.96 0.00 0.00 56.93 54.42 3mct s PHE 251 Cb 0.40 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 3mct s PHE 251 CO 0.14 -0.99 1.40 0.34 -1.46 0.00 0.00 175.22 174.66 3mct s ASP 252 N 2.73 5.99 -0.13 6.13 2.15 -1.26 -4.74 116.67 127.54 3mct s ASP 252 Ca 0.07 -0.20 -0.30 0.00 0.43 0.00 0.00 52.55 52.55 3mct s ASP 252 Cb -0.25 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 39.92 3mct s ASP 252 CO -0.01 -1.92 0.89 -0.47 -0.17 0.00 0.00 175.17 173.49 3mct s TYR 253 N 6.40 -0.47 0.55 -5.34 5.04 -1.26 -5.03 117.35 117.24 3mct s TYR 253 Ca 0.43 0.83 0.32 0.00 -2.44 0.00 0.00 57.07 56.22 3mct s TYR 253 Cb -0.09 0.43 1.48 0.00 0.35 0.00 0.00 41.96 44.13 3mct s TYR 253 CO 0.18 -0.43 1.84 -1.35 -1.34 0.00 0.00 175.55 174.44 3mct h PRO 254 N 2.78 0.00 -4.19 4.97 0.11 -2.02 -3.36 132.00 130.30 3mct h PRO 254 Ca -0.22 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.39 3mct h PRO 254 Cb 1.16 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.90 3mct h PRO 254 CO 0.33 0.00 -0.80 1.21 -0.21 0.00 0.00 178.00 178.53 3mct s ASN 255 N -5.29 1.92 0.00 -2.05 2.47 -1.26 -5.03 114.94 105.70 3mct s ASN 255 Ca -0.05 -0.26 0.24 0.00 0.42 0.00 0.00 52.86 53.22 3mct s ASN 255 Cb 0.20 -0.75 0.32 0.00 -1.45 0.00 0.00 41.25 39.57 3mct s ASN 255 CO 0.72 -0.10 1.34 0.00 -3.72 0.00 0.00 177.10 175.34 3mct n GLN 256 N 4.70 2.40 -1.80 0.43 6.02 -1.26 -4.66 117.38 123.21 3mct n GLN 256 Ca -0.15 -2.08 -0.37 0.00 -0.01 0.00 0.00 57.00 54.40 3mct n GLN 256 Cb 0.50 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.34 3mct n GLN 256 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3mct s GLU 257 N -1.77 2.68 0.20 -1.09 8.01 -1.26 -0.51 118.70 124.95 3mct s GLU 257 Ca 0.33 2.03 -0.19 0.00 0.01 0.00 0.00 54.97 57.15 3mct s GLU 257 Cb 0.21 -1.89 0.16 0.00 -4.31 0.00 0.00 34.13 28.31 3mct s GLU 257 CO 0.31 -1.49 1.59 -0.92 0.01 0.00 0.00 175.26 174.75 3mct h TYR 258 N 0.67 -0.85 -0.50 1.61 3.20 -1.31 -1.28 116.97 118.51 3mct h TYR 258 Ca -0.51 0.07 0.15 0.00 3.14 0.00 0.00 58.73 61.58 3mct h TYR 258 Cb 1.33 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 40.05 3mct h TYR 258 CO 0.43 -0.37 0.39 -0.44 -1.64 0.00 0.00 178.16 176.52 3mct h ASP 259 N -0.12 0.00 0.78 -2.11 5.19 -1.87 0.39 116.42 118.67 3mct h ASP 259 Ca 0.26 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.42 3mct h ASP 259 Cb 0.55 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 3mct h ASP 259 CO -0.72 0.00 -1.19 1.88 -3.12 0.00 0.00 179.24 176.09 3mct h TYR 260 N 0.00 0.22 -0.27 4.55 -1.99 -1.57 0.13 116.97 118.05 3mct h TYR 260 Ca 0.24 -0.16 -0.07 0.00 2.00 0.00 0.00 58.73 60.74 3mct h TYR 260 Cb 1.01 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 3mct h TYR 260 CO 0.00 1.14 -0.11 0.35 -0.00 0.00 0.00 178.16 179.54 3mct h PHE 261 N 0.03 0.64 -0.11 4.88 3.57 -0.58 0.83 116.94 126.20 3mct h PHE 261 Ca -0.10 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 3mct h PHE 261 Cb 1.88 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 3mct h PHE 261 CO 0.03 0.79 0.01 1.25 -2.23 0.00 0.00 178.31 178.16 3mct h HIS 262 N 0.30 0.20 -0.68 0.41 2.76 -0.33 -2.79 115.15 115.02 3mct h HIS 262 Ca 0.06 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 3mct h HIS 262 Cb 0.61 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.45 3mct h HIS 262 CO 0.06 0.41 0.34 1.98 -1.30 0.00 0.00 177.93 179.42 3mct h MET 263 N -0.07 0.59 -0.43 5.26 1.85 -0.64 -2.25 114.93 119.23 3mct h MET 263 Ca 0.03 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 3mct h MET 263 Cb 0.32 -0.13 -0.09 0.00 0.43 0.00 0.00 31.60 32.13 3mct h MET 263 CO 0.00 0.39 -0.15 -0.92 -0.40 0.00 0.00 176.91 175.83 3mct h TYR 264 N 0.60 -0.35 -0.32 1.39 5.03 -0.63 0.46 116.97 123.16 3mct h TYR 264 Ca 0.32 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.67 3mct h TYR 264 Cb 0.30 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 3mct h TYR 264 CO -0.10 -0.23 0.17 0.74 -1.32 0.00 0.00 178.16 177.41 3mct h PHE 265 N -0.05 0.42 -0.06 -3.82 -1.00 -1.15 -0.80 116.94 110.48 3mct h PHE 265 Ca 0.21 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.93 3mct h PHE 265 Cb 0.38 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3mct h PHE 265 CO -0.41 0.30 -0.19 0.52 -1.61 0.00 0.00 178.31 176.91 3mct h MET 266 N 0.44 0.24 0.00 1.51 2.86 -0.95 -3.26 114.93 115.76 3mct h MET 266 Ca 0.11 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3mct h MET 266 Cb 0.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 3mct h MET 266 CO -0.02 0.80 -0.12 -0.07 1.06 0.00 0.00 176.91 178.56 3mct h LEU 267 N -0.28 0.00 -0.96 1.22 3.38 -0.54 -2.34 115.31 115.79 3mct h LEU 267 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3mct h LEU 267 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3mct h LEU 267 CO 0.04 0.12 0.00 0.08 0.09 0.00 0.00 178.44 178.77 3mct h ARG 268 N 0.00 0.00 0.00 1.13 0.11 -1.20 -2.32 114.38 112.10 3mct h ARG 268 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mct h ARG 268 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 3mct h ARG 268 CO 0.02 0.00 -0.82 1.79 0.10 0.00 0.00 179.97 181.05 3mct h THR 269 N 0.00 0.00 -3.74 0.08 1.35 -1.55 -3.47 112.91 105.57 3mct h THR 269 Ca 0.00 -0.65 -0.51 0.00 -0.55 0.00 0.00 66.41 64.70 3mct h THR 269 Cb 0.29 1.15 0.03 0.00 -1.73 0.00 0.00 68.15 67.89 3mct h THR 269 CO 0.00 0.00 0.56 -0.69 -0.25 0.00 0.00 175.52 175.14 3mct s VAL 270 N -3.24 3.22 0.21 6.82 1.01 -0.87 -4.91 120.40 122.64 3mct s VAL 270 Ca 0.04 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 3mct s VAL 270 Cb 0.12 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 3mct s VAL 270 CO 0.76 0.26 0.56 -0.31 0.00 0.00 0.00 175.10 176.37 3mct s TYR 271 N -0.87 3.47 0.10 5.22 1.51 -1.26 -5.08 117.35 120.44 3mct s TYR 271 Ca 0.48 0.94 0.01 0.00 -1.01 0.00 0.00 57.07 57.49 3mct s TYR 271 Cb -0.35 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 3mct s TYR 271 CO 0.44 0.30 -0.03 0.00 -1.11 0.00 0.00 175.55 175.15 3mct h ASN 273 N 2.95 0.59 -3.59 0.00 2.35 -1.97 -3.46 115.58 112.44 3mct h ASN 273 Ca -0.35 -0.92 -0.52 0.00 -0.55 0.00 0.00 56.30 53.96 3mct h ASN 273 Cb 1.17 -0.19 0.03 0.00 0.05 0.00 0.00 38.32 39.38 3mct h ASN 273 CO 0.64 1.58 0.58 -0.75 -1.65 0.00 0.00 177.43 177.83 3mct s LYS 274 N -2.51 4.47 -0.05 0.81 2.20 -1.26 -5.03 119.74 118.37 3mct s LYS 274 Ca -0.14 1.97 -0.13 0.00 -0.36 0.00 0.00 55.97 57.32 3mct s LYS 274 Cb 0.03 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 3mct s LYS 274 CO 0.86 -0.09 0.33 0.99 -0.36 0.00 0.00 175.35 177.08 3mct s THR 275 N -0.42 5.19 0.14 3.43 2.01 -1.26 -5.09 115.64 119.63 3mct s THR 275 Ca 0.52 0.65 0.11 0.00 0.31 0.00 0.00 61.69 63.28 3mct s THR 275 Cb -0.35 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3mct s THR 275 CO 0.41 0.55 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.28 3mct s PHE 276 N -0.80 2.33 -0.27 4.92 0.40 -1.26 -5.04 117.98 118.27 3mct s PHE 276 Ca 0.21 -0.36 0.27 0.00 -0.60 0.00 0.00 56.93 56.45 3mct s PHE 276 Cb -0.15 -1.24 0.78 0.00 0.51 0.00 0.00 43.02 42.92 3mct s PHE 276 CO 0.10 0.37 1.76 -1.00 0.70 0.00 0.00 175.22 177.15 3mct h PRO 277 N 3.75 0.00 -3.65 0.24 0.13 -1.98 -3.46 132.00 127.02 3mct h PRO 277 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 3mct h PRO 277 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 3mct h PRO 277 CO 0.41 0.00 -0.27 0.95 -0.23 0.00 0.00 178.00 178.86 3mct s THR 278 N -3.37 0.12 0.23 1.56 -4.23 -1.26 -5.03 115.64 103.65 3mct s THR 278 Ca 0.05 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 3mct s THR 278 Cb 0.07 -1.26 0.13 0.00 1.34 0.00 0.00 72.50 72.78 3mct s THR 278 CO 0.61 -0.53 1.75 0.74 -0.54 0.00 0.00 174.62 176.65 3mct h THR 279 N 2.65 1.25 -0.75 3.99 2.02 -2.00 -2.01 112.91 118.07 3mct h THR 279 Ca -0.34 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 65.97 3mct h THR 279 Cb 1.22 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3mct h THR 279 CO 0.53 0.36 0.49 0.50 0.37 0.00 0.00 175.52 177.77 3mct h LYS 280 N 0.99 0.78 -0.26 6.66 3.64 -1.98 0.57 116.57 126.96 3mct h LYS 280 Ca 0.21 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3mct h LYS 280 Cb 0.35 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3mct h LYS 280 CO 0.00 0.52 -0.23 0.00 -2.27 0.00 0.00 179.45 177.46 3mct h ALA 281 N 1.59 0.38 0.04 5.00 0.00 -1.81 -1.40 119.26 123.07 3mct h ALA 281 Ca 0.32 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mct h ALA 281 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mct h ALA 281 CO -0.11 0.35 -0.02 -0.22 0.00 0.00 0.00 179.25 179.25 3mct h LYS 282 N 0.35 -0.06 -0.29 0.00 3.64 -0.58 -2.41 116.57 117.23 3mct h LYS 282 Ca 0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3mct h LYS 282 Cb 0.79 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3mct h LYS 282 CO 0.06 0.10 0.13 0.28 -2.27 0.00 0.00 179.45 177.75 3mct h VAL 283 N -0.20 0.97 -0.94 2.00 2.07 -0.96 0.63 116.25 119.81 3mct h VAL 283 Ca -0.01 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3mct h VAL 283 Cb 0.18 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3mct h VAL 283 CO 0.01 0.05 0.61 -0.07 0.02 0.00 0.00 177.57 178.19 3mct h LEU 284 N 0.28 0.96 -0.07 2.57 3.38 -1.26 0.16 115.31 121.34 3mct h LEU 284 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3mct h LEU 284 Cb 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3mct h LEU 284 CO -0.10 0.62 -0.01 0.15 0.09 0.00 0.00 178.44 179.20 3mct h PHE 285 N 1.10 0.13 -0.50 1.13 3.04 -0.78 0.71 116.94 121.77 3mct h PHE 285 Ca 0.40 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.33 3mct h PHE 285 Cb 0.17 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3mct h PHE 285 CO -0.00 0.41 0.31 -0.07 -2.02 0.00 0.00 178.31 176.95 3mct h LEU 286 N -0.19 0.60 -0.26 0.59 3.38 -0.51 -0.41 115.31 118.52 3mct h LEU 286 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3mct h LEU 286 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mct h LEU 286 CO 0.00 0.47 0.11 -0.61 0.09 0.00 0.00 178.44 178.50 3mct h GLN 287 N 0.68 0.39 -0.17 1.13 4.15 -0.59 0.12 115.11 120.82 3mct h GLN 287 Ca 0.18 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3mct h GLN 287 Cb -0.03 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3mct h GLN 287 CO -0.04 0.42 -0.07 0.37 -1.93 0.00 0.00 178.83 177.58 3mct h GLN 288 N 0.27 -0.05 -0.59 1.69 -0.00 -0.69 0.48 115.11 116.22 3mct h GLN 288 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.77 3mct h GLN 288 Cb 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.63 3mct h GLN 288 CO -0.01 -0.03 0.35 1.03 0.00 0.00 0.00 178.83 180.17 3mct h SER 289 N -0.05 0.57 -0.10 -0.69 0.87 -0.75 -0.45 113.55 112.94 3mct h SER 289 Ca 0.09 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3mct h SER 289 Cb 0.19 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3mct h SER 289 CO -0.21 0.39 0.01 0.40 -0.53 0.00 0.00 176.83 176.89 3mct h ILE 290 N 0.69 1.24 -0.76 2.23 2.04 -0.43 -1.61 117.51 120.92 3mct h ILE 290 Ca 0.24 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3mct h ILE 290 Cb 0.05 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3mct h ILE 290 CO -0.11 0.22 0.27 -0.26 0.00 0.00 0.00 178.15 178.26 3mct h PHE 291 N -0.08 1.20 -0.48 1.37 -1.00 -0.71 -1.13 116.94 116.10 3mct h PHE 291 Ca 0.03 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 3mct h PHE 291 Cb 0.33 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3mct h PHE 291 CO 0.03 0.93 0.14 -0.09 -1.61 0.00 0.00 178.31 177.70 3mct h ARG 292 N 1.12 0.76 -0.48 1.51 2.43 -1.03 0.13 114.38 118.82 3mct h ARG 292 Ca 0.25 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3mct h ARG 292 Cb 0.27 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3mct h ARG 292 CO -0.01 0.72 0.29 0.35 -1.51 0.00 0.00 179.97 179.82 3mct h PHE 293 N 0.65 0.55 -0.00 2.20 3.04 -1.02 -2.15 116.94 120.21 3mct h PHE 293 Ca 0.15 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3mct h PHE 293 Cb 0.29 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3mct h PHE 293 CO 0.02 0.33 -0.03 1.28 -2.02 0.00 0.00 178.31 177.89 3mct n LEU 294 N -4.80 0.18 -2.20 0.59 4.77 -0.45 -4.91 117.00 110.18 3mct n LEU 294 Ca 0.03 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3mct n LEU 294 Cb 0.05 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3mct n LEU 294 CO 0.33 0.03 0.07 -3.20 -1.33 0.00 0.00 177.39 173.30 3mct n ASN 295 N -1.06 -4.58 -4.56 -1.43 4.05 0.26 -4.90 115.26 103.06 3mct n ASN 295 Ca 0.18 -0.26 -0.37 0.00 0.45 0.00 0.00 54.58 54.58 3mct n ASN 295 Cb 0.21 -3.31 -0.11 0.00 1.23 0.00 0.00 39.78 37.80 3mct n ASN 295 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3mct s ILE 296 N -3.06 4.97 -1.15 -1.44 1.01 -0.13 -4.97 121.20 116.42 3mct s ILE 296 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3mct s ILE 296 Cb -0.12 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3mct s ILE 296 CO 0.34 0.30 0.29 -2.65 0.00 0.00 0.00 174.94 173.22