#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcs s ALA 3 N 0.00 3.84 -0.19 -0.72 0.00 -1.26 -5.08 121.76 118.35 3mcs s ALA 3 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 3mcs s ALA 3 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3mcs s ALA 3 CO 0.00 0.68 0.50 0.08 0.00 0.00 0.00 175.76 177.01 3mcs s VAL 4 N -1.45 5.12 0.35 0.00 1.01 -1.26 -5.01 120.40 119.16 3mcs s VAL 4 Ca 0.33 0.92 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 3mcs s VAL 4 Cb -0.13 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3mcs s VAL 4 CO 0.21 0.20 1.19 -2.16 0.00 0.00 0.00 175.10 174.54 3mcs s PRO 5 N 1.52 4.30 -0.30 2.72 0.04 -1.26 -4.21 135.00 137.82 3mcs s PRO 5 Ca 0.23 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 3mcs s PRO 5 Cb -0.15 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 3mcs s PRO 5 CO 0.09 -0.14 0.19 0.42 0.04 0.00 0.00 177.00 177.60 3mcs s ILE 6 N -1.26 5.13 -0.23 0.56 -1.09 -0.56 -4.63 121.20 119.11 3mcs s ILE 6 Ca 0.51 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 3mcs s ILE 6 Cb -0.34 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.09 3mcs s ILE 6 CO 0.44 0.17 -0.10 -0.22 -1.23 0.00 0.00 174.94 174.00 3mcs s LEU 7 N 1.72 2.80 -0.05 2.97 2.96 -1.26 -0.53 118.68 127.29 3mcs s LEU 7 Ca 0.06 -1.14 0.06 0.00 -0.22 0.00 0.00 54.13 52.89 3mcs s LEU 7 Cb -0.16 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3mcs s LEU 7 CO 0.10 -0.17 -0.23 0.20 -1.32 0.00 0.00 176.35 174.93 3mcs s ASN 8 N 1.27 2.80 -0.25 3.68 0.01 -0.44 -0.61 114.94 121.41 3mcs s ASN 8 Ca -0.05 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 3mcs s ASN 8 Cb -0.18 -0.72 0.05 0.00 0.41 0.00 0.00 41.25 40.80 3mcs s ASN 8 CO -0.07 0.23 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.95 3mcs s VAL 9 N -0.15 2.33 -0.14 1.60 1.01 -0.34 -0.83 120.40 123.88 3mcs s VAL 9 Ca -0.02 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 3mcs s VAL 9 Cb -0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3mcs s VAL 9 CO 0.03 0.10 0.10 -0.31 0.00 0.00 0.00 175.10 175.02 3mcs s TYR 10 N 1.18 3.43 0.04 5.22 2.02 -0.09 -0.93 117.35 128.23 3mcs s TYR 10 Ca -0.05 0.36 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 3mcs s TYR 10 Cb -0.18 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3mcs s TYR 10 CO -0.06 0.50 -0.06 0.16 -1.57 0.00 0.00 175.55 174.52 3mcs s ASP 11 N -0.46 0.64 0.02 2.29 1.47 -0.45 -0.87 116.67 119.31 3mcs s ASP 11 Ca 0.11 -0.59 -0.27 0.00 1.18 0.00 0.00 52.55 52.97 3mcs s ASP 11 Cb -0.12 0.07 0.09 0.00 -0.34 0.00 0.00 42.92 42.62 3mcs s ASP 11 CO 0.02 -0.28 0.77 0.72 0.68 0.00 0.00 175.17 177.08 3mcs s PHE 12 N -1.73 -0.47 0.03 2.11 -0.12 -0.73 -1.15 117.98 115.91 3mcs s PHE 12 Ca -0.09 0.49 -0.27 0.00 -0.05 0.00 0.00 56.93 57.00 3mcs s PHE 12 Cb -0.08 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 3mcs s PHE 12 CO -0.01 -0.63 0.85 -2.00 -0.05 0.00 0.00 175.22 173.38 3mcs s GLU 13 N -2.68 4.55 -0.02 1.99 2.12 -1.16 0.59 118.70 124.09 3mcs s GLU 13 Ca -0.00 1.21 -0.18 0.00 0.36 0.00 0.00 54.97 56.35 3mcs s GLU 13 Cb -0.01 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 3mcs s GLU 13 CO -0.05 0.16 0.51 0.08 -0.54 0.00 0.00 175.26 175.42 3mcs s VAL 14 N 0.32 4.99 0.58 3.70 1.01 -0.03 -0.49 120.40 130.49 3mcs s VAL 14 Ca 0.43 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 3mcs s VAL 14 Cb -0.21 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3mcs s VAL 14 CO 0.25 0.45 1.04 0.29 0.00 0.00 0.00 175.10 177.13 3mcs n LYS 15 N 2.62 1.06 -0.14 2.72 5.02 -0.44 -4.65 118.16 124.36 3mcs n LYS 15 Ca -0.09 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.51 3mcs n LYS 15 Cb 0.51 -2.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 3mcs n LYS 15 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3mcs h LYS 16 N 0.71 -0.23 -1.00 1.97 2.10 -1.96 -2.86 116.57 115.30 3mcs h LYS 16 Ca -0.49 0.02 -0.47 0.00 -2.00 0.00 0.00 60.65 57.71 3mcs h LYS 16 Cb 1.35 0.05 -0.28 0.00 -0.90 0.00 0.00 32.23 32.46 3mcs h LYS 16 CO 0.52 -0.15 0.60 -0.40 -2.00 0.00 0.00 179.45 178.02 3mcs n ASP 17 N -4.62 3.83 -0.27 7.07 5.75 -1.26 -4.33 116.55 122.71 3mcs n ASP 17 Ca -0.02 -3.45 0.07 0.00 -0.01 0.00 0.00 54.79 51.38 3mcs n ASP 17 Cb 0.23 -0.81 0.10 0.00 -1.03 0.00 0.00 41.12 39.62 3mcs n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mcs n LYS 18 N -0.96 0.92 -0.28 0.11 4.76 -1.08 -4.78 118.16 116.84 3mcs n LYS 18 Ca 0.54 -2.19 -0.03 0.00 -2.87 0.00 0.00 58.31 53.76 3mcs n LYS 18 Cb 1.52 -1.19 0.09 0.00 -1.84 0.00 0.00 35.03 33.61 3mcs n LYS 18 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3mcs h GLU 19 N 0.11 0.96 -0.19 1.97 5.08 -1.76 0.20 114.58 120.96 3mcs h GLU 19 Ca -0.01 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3mcs h GLU 19 Cb 1.14 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3mcs h GLU 19 CO 0.00 0.64 0.02 1.15 -1.00 0.00 0.00 179.01 179.82 3mcs h THR 20 N 0.99 0.89 -0.71 1.13 2.02 -1.95 -0.96 112.91 114.32 3mcs h THR 20 Ca 0.31 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 3mcs h THR 20 Cb -0.02 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3mcs h THR 20 CO -0.10 0.01 0.23 0.28 0.37 0.00 0.00 175.52 176.32 3mcs h SER 21 N 0.08 1.00 -0.19 4.18 0.02 -1.80 -2.32 113.55 114.52 3mcs h SER 21 Ca 0.09 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3mcs h SER 21 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3mcs h SER 21 CO -0.13 0.92 0.07 0.22 -1.14 0.00 0.00 176.83 176.77 3mcs h TYR 22 N 1.04 0.12 -0.32 3.45 3.20 -0.47 -1.90 116.97 122.10 3mcs h TYR 22 Ca 0.23 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3mcs h TYR 22 Cb 0.27 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3mcs h TYR 22 CO 0.02 0.06 0.08 0.87 -1.64 0.00 0.00 178.16 177.56 3mcs h LYS 23 N 0.16 0.51 -0.11 1.82 1.57 -0.89 -1.35 116.57 118.27 3mcs h LYS 23 Ca 0.08 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3mcs h LYS 23 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3mcs h LYS 23 CO -0.08 0.56 -0.02 0.77 -0.57 0.00 0.00 179.45 180.12 3mcs h SER 24 N 0.36 -0.08 -0.24 0.86 0.02 -1.40 -0.10 113.55 112.96 3mcs h SER 24 Ca 0.10 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3mcs h SER 24 Cb 0.28 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3mcs h SER 24 CO -0.00 -0.02 -0.20 0.00 -1.14 0.00 0.00 176.83 175.46 3mcs h ALA 25 N 1.10 0.96 -0.19 3.77 0.00 -1.29 -1.33 119.26 122.28 3mcs h ALA 25 Ca 0.05 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 3mcs h ALA 25 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mcs h ALA 25 CO -0.10 0.61 -0.67 1.15 0.00 0.00 0.00 179.25 180.23 3mcs h THR 26 N 0.62 1.30 0.11 0.00 2.02 -1.11 -1.77 112.91 114.08 3mcs h THR 26 Ca 0.09 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.37 3mcs h THR 26 Cb 0.68 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 3mcs h THR 26 CO 0.05 0.60 -0.07 -0.33 0.37 0.00 0.00 175.52 176.15 3mcs h GLU 27 N 0.53 -0.16 -0.63 6.66 5.08 -0.87 -1.21 114.58 123.98 3mcs h GLU 27 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3mcs h GLU 27 Cb 1.28 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3mcs h GLU 27 CO 0.14 -0.11 0.31 -0.44 -1.00 0.00 0.00 179.01 177.91 3mcs h ASP 28 N -0.17 0.42 -0.33 1.42 3.32 -1.24 -0.48 116.42 119.36 3mcs h ASP 28 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3mcs h ASP 28 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3mcs h ASP 28 CO 0.01 0.26 0.16 0.22 -1.72 0.00 0.00 179.24 178.17 3mcs h TYR 29 N 0.56 0.47 -0.40 4.55 3.20 -0.99 0.99 116.97 125.35 3mcs h TYR 29 Ca 0.30 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3mcs h TYR 29 Cb 0.27 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3mcs h TYR 29 CO -0.11 0.40 -0.03 0.28 -1.64 0.00 0.00 178.16 177.07 3mcs h VAL 30 N 0.39 1.27 -0.20 1.81 2.07 -0.97 -1.60 116.25 119.01 3mcs h VAL 30 Ca 0.11 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 3mcs h VAL 30 Cb 0.11 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3mcs h VAL 30 CO -0.01 0.36 -0.42 0.78 0.02 0.00 0.00 177.57 178.29 3mcs h ASN 31 N 0.55 0.51 0.79 0.57 2.35 -0.85 -3.19 115.58 116.30 3mcs h ASN 31 Ca 0.11 -0.23 -0.25 0.00 -0.55 0.00 0.00 56.30 55.38 3mcs h ASN 31 Cb 0.52 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3mcs h ASN 31 CO 0.03 0.87 -1.17 0.50 -1.65 0.00 0.00 177.43 176.01 3mcs h LYS 32 N 0.39 0.13 0.00 0.81 3.64 -0.78 -2.73 116.57 118.04 3mcs h LYS 32 Ca 0.03 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3mcs h LYS 32 Cb 0.91 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3mcs h LYS 32 CO 0.08 1.07 0.00 2.41 -2.27 0.00 0.00 179.45 180.74 3mcs n THR 33 N -3.42 0.00 0.00 1.00 -1.04 -0.61 -3.01 114.28 107.21 3mcs n THR 33 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3mcs n THR 33 Cb 0.99 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3mcs n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mcs n GLY 35 N -0.21 0.00 0.00 3.41 0.00 -1.03 -0.79 105.19 106.58 3mcs n GLY 35 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mcs n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mcs n VAL 36 N 0.00 0.03 -3.27 1.61 0.31 -1.16 -5.09 118.33 110.76 3mcs n VAL 36 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 3mcs n VAL 36 Cb 0.00 -0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 32.00 3mcs n VAL 36 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mcs s GLU 37 N -2.01 3.76 0.12 5.55 2.02 0.03 -5.08 118.70 123.09 3mcs s GLU 37 Ca -0.00 0.25 -0.09 0.00 0.02 0.00 0.00 54.97 55.15 3mcs s GLU 37 Cb 0.00 -2.58 -0.06 0.00 0.10 0.00 0.00 34.13 31.59 3mcs s GLU 37 CO 0.02 0.21 0.43 -0.65 0.02 0.00 0.00 175.26 175.28 3mcs s GLN 38 N -3.26 3.75 0.00 1.61 -1.52 -1.26 -4.35 119.66 114.63 3mcs s GLN 38 Ca 0.47 0.15 0.00 0.00 -1.95 0.00 0.00 55.36 54.03 3mcs s GLN 38 Cb -0.11 -2.90 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 3mcs s GLN 38 CO 0.26 0.49 0.00 0.41 -0.25 0.00 0.00 175.29 176.20 3mcs n GLY 39 N 0.53 0.55 3.58 3.09 0.00 -1.26 -4.85 105.19 106.84 3mcs n GLY 39 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3mcs n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcs s VAL 40 N -2.36 5.04 -0.13 1.61 0.11 -1.26 -0.38 120.40 123.03 3mcs s VAL 40 Ca 0.00 0.56 0.16 0.00 -2.93 0.00 0.00 61.98 59.77 3mcs s VAL 40 Cb 0.00 -3.89 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 3mcs s VAL 40 CO 0.00 -0.08 1.11 -0.07 -3.33 0.00 0.00 175.10 172.73 3mcs h LEU 41 N 8.95 0.00 0.00 2.54 3.38 -1.27 -3.44 115.31 125.47 3mcs h LEU 41 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3mcs h LEU 41 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3mcs h LEU 41 CO 0.74 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.42 3mcs n GLY 42 N 1.31 2.22 3.02 0.83 0.00 -1.10 -1.93 105.19 109.54 3mcs n GLY 42 Ca -0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 3mcs n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcs s LEU 43 N 0.00 1.88 -0.23 0.99 1.02 -0.18 -1.68 118.68 120.49 3mcs s LEU 43 Ca 0.00 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.93 3mcs s LEU 43 Cb 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 46.19 45.73 3mcs s LEU 43 CO 0.00 0.09 0.07 -0.36 0.02 0.00 0.00 176.35 176.17 3mcs s PHE 44 N 0.02 0.96 -0.21 0.29 0.40 0.07 -2.18 117.98 117.33 3mcs s PHE 44 Ca -0.00 -0.97 -0.11 0.00 -0.60 0.00 0.00 56.93 55.25 3mcs s PHE 44 Cb -0.07 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 3mcs s PHE 44 CO 0.00 -0.68 0.16 0.00 0.70 0.00 0.00 175.22 175.40 3mcs s ALA 45 N 1.88 3.65 0.28 5.36 0.00 0.17 -1.06 121.76 132.04 3mcs s ALA 45 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3mcs s ALA 45 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3mcs s ALA 45 CO -0.16 -0.01 0.18 0.00 0.00 0.00 0.00 175.76 175.78 3mcs s ALA 46 N 0.69 1.74 -0.00 0.00 0.00 -0.24 -0.83 121.76 123.11 3mcs s ALA 46 Ca 0.09 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 3mcs s ALA 46 Cb -0.12 1.29 -0.00 0.00 0.00 0.00 0.00 23.12 24.28 3mcs s ALA 46 CO 0.01 -0.56 0.02 0.99 0.00 0.00 0.00 175.76 176.22 3mcs s THR 47 N -3.71 0.04 -0.28 0.00 2.01 0.23 -1.72 115.64 112.21 3mcs s THR 47 Ca 0.38 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3mcs s THR 47 Cb 0.05 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.45 3mcs s THR 47 CO 0.18 -0.18 -0.01 -0.62 -0.69 0.00 0.00 174.62 173.30 3mcs s ASP 48 N -0.53 4.68 0.00 3.53 2.15 -0.47 -0.81 116.67 125.22 3mcs s ASP 48 Ca -0.06 -1.00 0.24 0.00 0.43 0.00 0.00 52.55 52.17 3mcs s ASP 48 Cb -0.04 -1.72 0.40 0.00 -0.30 0.00 0.00 42.92 41.26 3mcs s ASP 48 CO -0.00 -0.19 1.38 -0.62 -0.17 0.00 0.00 175.17 175.57 3mcs n GLU 49 N 4.69 2.25 -2.09 4.34 1.02 -1.26 -0.19 120.64 129.40 3mcs n GLU 49 Ca -0.15 -1.85 -0.41 0.00 -0.02 0.00 0.00 57.16 54.73 3mcs n GLU 49 Cb 0.46 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3mcs n GLU 49 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mcs s ARG 50 N -1.85 4.32 0.00 3.49 0.52 -1.26 -4.29 118.95 119.89 3mcs s ARG 50 Ca 0.32 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 3mcs s ARG 50 Cb 0.21 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.58 3mcs s ARG 50 CO 0.31 -0.28 0.00 -0.25 0.02 0.00 0.00 175.30 175.10 3mcs n ASP 51 N 1.52 0.00 -3.76 0.23 8.00 -1.26 -4.42 116.55 116.86 3mcs n ASP 51 Ca 0.03 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 3mcs n ASP 51 Cb 0.41 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.35 3mcs n ASP 51 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mcs s LYS 52 N 0.00 0.06 -0.05 -1.24 1.02 -1.26 -5.11 119.74 113.16 3mcs s LYS 52 Ca 0.00 0.20 -0.33 0.00 0.02 0.00 0.00 55.97 55.86 3mcs s LYS 52 Cb 0.00 -0.39 -0.11 0.00 -0.52 0.00 0.00 37.83 36.81 3mcs s LYS 52 CO 0.00 -0.20 1.89 2.41 -0.92 0.00 0.00 175.35 178.53 3mcs n THR 53 N 4.45 0.60 -4.95 2.17 -1.04 -1.26 -4.73 114.28 109.53 3mcs n THR 53 Ca -0.22 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 3mcs n THR 53 Cb 0.50 -1.98 -0.15 0.00 -1.82 0.00 0.00 70.33 66.88 3mcs n THR 53 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3mcs s THR 54 N 4.04 2.70 0.06 12.58 2.01 0.73 -0.85 115.64 136.91 3mcs s THR 54 Ca 0.91 -0.80 -0.23 0.00 0.31 0.00 0.00 61.69 61.88 3mcs s THR 54 Cb -0.63 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 3mcs s THR 54 CO 0.49 0.54 0.71 -0.55 -0.69 0.00 0.00 174.62 175.12 3mcs s SER 55 N 0.23 7.17 -0.04 3.53 0.15 0.20 -1.37 113.70 123.56 3mcs s SER 55 Ca -0.11 1.40 0.05 0.00 0.70 0.00 0.00 55.95 57.98 3mcs s SER 55 Cb -0.16 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3mcs s SER 55 CO 0.06 0.09 -0.18 -0.31 1.20 0.00 0.00 173.24 174.10 3mcs s TYR 56 N -0.36 1.72 -0.11 3.44 1.51 -0.70 -1.77 117.35 121.07 3mcs s TYR 56 Ca 0.35 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 3mcs s TYR 56 Cb -0.20 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3mcs s TYR 56 CO 0.22 -0.13 0.03 0.42 -1.11 0.00 0.00 175.55 174.98 3mcs s ILE 57 N -0.11 0.25 -0.23 2.71 1.01 -0.05 -1.08 121.20 123.70 3mcs s ILE 57 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 3mcs s ILE 57 Cb -0.10 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3mcs s ILE 57 CO 0.01 0.06 0.37 -0.69 0.00 0.00 0.00 174.94 174.70 3mcs s VAL 58 N 2.01 5.20 -0.08 2.92 1.01 -0.23 -0.91 120.40 130.33 3mcs s VAL 58 Ca 0.03 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3mcs s VAL 58 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3mcs s VAL 58 CO -0.06 0.22 -0.18 -1.61 0.00 0.00 0.00 175.10 173.47 3mcs s GLU 59 N 1.57 2.33 -0.04 2.72 2.02 -0.01 -0.75 118.70 126.54 3mcs s GLU 59 Ca 0.17 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3mcs s GLU 59 Cb -0.15 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.27 3mcs s GLU 59 CO 0.08 0.13 -0.05 -1.50 0.02 0.00 0.00 175.26 173.95 3mcs s ILE 60 N 0.42 0.56 0.22 -1.63 2.07 -0.67 -1.32 121.20 120.85 3mcs s ILE 60 Ca -0.15 -0.13 0.07 0.00 -1.41 0.00 0.00 60.65 59.03 3mcs s ILE 60 Cb -0.16 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 3mcs s ILE 60 CO 0.06 0.23 -0.12 -0.31 -1.91 0.00 0.00 174.94 172.89 3mcs s TYR 61 N 0.91 1.75 0.20 3.50 1.51 0.31 -0.75 117.35 124.77 3mcs s TYR 61 Ca -0.11 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 3mcs s TYR 61 Cb -0.14 -0.87 0.12 0.00 -0.11 0.00 0.00 41.96 40.96 3mcs s TYR 61 CO 0.00 0.32 1.47 -0.97 -1.11 0.00 0.00 175.55 175.26 3mcs h ASN 62 N 2.49 0.34 -5.14 2.29 -0.73 -1.01 -1.49 115.58 112.33 3mcs h ASN 62 Ca -0.38 -0.22 0.09 0.00 1.87 0.00 0.00 56.30 57.66 3mcs h ASN 62 Cb 1.22 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 39.67 3mcs h ASN 62 CO 0.63 0.94 0.35 1.51 -0.37 0.00 0.00 177.43 180.49 3mcs s ASP 63 N -6.93 -0.15 0.55 1.15 1.47 -1.26 -3.99 116.67 107.51 3mcs s ASP 63 Ca -0.04 -0.68 0.31 0.00 1.18 0.00 0.00 52.55 53.33 3mcs s ASP 63 Cb 0.11 0.66 1.58 0.00 -0.34 0.00 0.00 42.92 44.93 3mcs s ASP 63 CO 0.82 -1.26 2.10 0.10 0.68 0.00 0.00 175.17 177.60 3mcs h TYR 64 N 2.00 0.00 -0.08 2.11 -0.00 -1.92 -2.38 116.97 116.70 3mcs h TYR 64 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.27 3mcs h TYR 64 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.98 3mcs h TYR 64 CO 0.72 0.08 -0.79 1.25 -0.00 0.00 0.00 178.16 179.42 3mcs h LEU 65 N 0.00 0.84 -0.84 0.10 5.85 -1.98 -0.33 115.31 118.96 3mcs h LEU 65 Ca -0.00 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.05 3mcs h LEU 65 Cb 0.33 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3mcs h LEU 65 CO 0.01 1.40 0.55 0.00 -0.34 0.00 0.00 178.44 180.06 3mcs h ALA 66 N 0.47 1.06 -0.04 1.25 0.00 -1.77 -0.63 119.26 119.60 3mcs h ALA 66 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3mcs h ALA 66 Cb 1.44 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mcs h ALA 66 CO 0.16 0.48 0.00 0.35 0.00 0.00 0.00 179.25 180.24 3mcs h PHE 67 N 1.14 0.07 -0.77 0.00 3.57 -1.40 -1.79 116.94 117.76 3mcs h PHE 67 Ca 0.31 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3mcs h PHE 67 Cb -0.13 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3mcs h PHE 67 CO -0.01 0.32 0.51 1.03 -2.23 0.00 0.00 178.31 177.93 3mcs h SER 68 N -0.20 0.79 -0.14 0.41 0.87 -0.71 -0.90 113.55 113.67 3mcs h SER 68 Ca 0.01 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 3mcs h SER 68 Cb 0.29 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3mcs h SER 68 CO 0.00 0.54 -0.34 0.78 -0.53 0.00 0.00 176.83 177.28 3mcs h ASN 69 N 0.91 0.67 -0.65 6.23 2.35 -1.02 -2.96 115.58 121.12 3mcs h ASN 69 Ca 0.32 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3mcs h ASN 69 Cb 0.10 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3mcs h ASN 69 CO -0.10 0.96 0.33 -0.74 -1.65 0.00 0.00 177.43 176.23 3mcs h HIS 70 N 0.54 0.92 0.00 1.19 -0.00 -0.31 -0.21 115.15 117.29 3mcs h HIS 70 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3mcs h HIS 70 Cb 0.84 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3mcs h HIS 70 CO 0.04 0.68 0.00 0.25 -0.00 0.00 0.00 177.93 178.90 3mcs n THR 71 N -4.50 0.91 0.49 6.26 -2.24 -0.48 -1.97 114.28 112.75 3mcs n THR 71 Ca 0.05 0.25 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3mcs n THR 71 Cb 0.11 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.10 3mcs n THR 71 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mcs n LYS 72 N -1.97 0.73 -1.83 -0.78 5.02 -0.75 -4.63 118.16 113.94 3mcs n LYS 72 Ca 0.02 -0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 3mcs n LYS 72 Cb 0.20 -1.41 0.12 0.00 -0.02 0.00 0.00 35.03 33.92 3mcs n LYS 72 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3mcs s ASN 73 N -3.40 3.98 0.17 4.39 3.84 -0.16 -4.85 114.94 118.90 3mcs s ASN 73 Ca 0.01 0.70 -0.12 0.00 0.21 0.00 0.00 52.86 53.66 3mcs s ASN 73 Cb 0.13 -1.11 0.07 0.00 -0.55 0.00 0.00 41.25 39.79 3mcs s ASN 73 CO 0.78 -2.23 1.71 -0.61 -2.79 0.00 0.00 177.10 173.96 3mcs h GLN 74 N -1.28 0.90 -0.17 0.43 5.75 -1.91 -2.60 115.11 116.23 3mcs h GLN 74 Ca -0.46 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 57.91 3mcs h GLN 74 Cb 1.31 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.66 3mcs h GLN 74 CO 0.59 0.79 -0.29 0.00 -2.65 0.00 0.00 178.83 177.26 3mcs h ALA 75 N 1.07 -0.29 -0.51 3.38 0.00 -1.91 -1.22 119.26 119.78 3mcs h ALA 75 Ca 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3mcs h ALA 75 Cb 0.25 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3mcs h ALA 75 CO -0.01 -0.75 0.05 1.03 0.00 0.00 0.00 179.25 179.56 3mcs h SER 76 N -0.35 0.84 -0.63 0.00 0.87 -1.76 -1.87 113.55 110.65 3mcs h SER 76 Ca 0.11 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3mcs h SER 76 Cb 0.52 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3mcs h SER 76 CO -0.36 0.91 0.42 0.11 -0.53 0.00 0.00 176.83 177.38 3mcs h LYS 77 N 0.74 0.79 -0.13 2.24 6.56 -1.08 0.12 116.57 125.82 3mcs h LYS 77 Ca 0.15 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.58 3mcs h LYS 77 Cb 0.45 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 3mcs h LYS 77 CO 0.02 0.52 -0.38 -0.44 -2.06 0.00 0.00 179.45 177.11 3mcs h ASP 78 N 0.81 0.55 -0.12 0.86 3.32 -0.93 -2.87 116.42 118.06 3mcs h ASP 78 Ca 0.24 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 3mcs h ASP 78 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3mcs h ASP 78 CO -0.06 1.05 0.00 0.15 -1.72 0.00 0.00 179.24 178.67 3mcs h PHE 79 N 0.08 0.22 0.00 4.55 3.57 -0.94 -2.60 116.94 121.83 3mcs h PHE 79 Ca -0.01 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3mcs h PHE 79 Cb 1.00 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 3mcs h PHE 79 CO 0.11 0.45 -0.01 0.87 -2.23 0.00 0.00 178.31 177.50 3mcs h LYS 80 N -0.06 0.00 0.00 1.11 6.56 -0.88 0.12 116.57 123.42 3mcs h LYS 80 Ca 0.03 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 3mcs h LYS 80 Cb 0.36 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 3mcs h LYS 80 CO 0.01 0.01 -0.19 0.00 -2.06 0.00 0.00 179.45 177.22 3mcs h ALA 81 N 1.99 0.95 0.00 3.86 0.00 -1.23 -3.32 119.26 121.51 3mcs h ALA 81 Ca -0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 3mcs h ALA 81 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3mcs h ALA 81 CO 0.00 0.23 -2.11 0.28 0.00 0.00 0.00 179.25 177.65 3mcs n VAL 82 N -3.24 0.95 -0.21 0.00 0.31 0.36 -4.58 118.33 111.92 3mcs n VAL 82 Ca 0.01 -0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 63.58 3mcs n VAL 82 Cb 0.49 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 33.06 3mcs n VAL 82 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3mcs h ILE 83 N 0.00 0.19 -0.76 2.52 2.04 -1.45 -0.39 117.51 119.66 3mcs h ILE 83 Ca -0.32 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.70 3mcs h ILE 83 Cb 1.77 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3mcs h ILE 83 CO 0.02 0.00 0.51 -0.65 0.00 0.00 0.00 178.15 178.03 3mcs h PRO 84 N -0.13 0.36 0.00 2.37 0.11 -1.81 0.23 132.00 133.14 3mcs h PRO 84 Ca 0.25 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 3mcs h PRO 84 Cb 0.55 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3mcs h PRO 84 CO -0.69 0.24 -0.42 1.96 -0.21 0.00 0.00 178.00 178.88 3mcs h GLN 85 N 0.37 0.00 -0.00 1.05 4.20 -1.35 -3.32 115.11 116.06 3mcs h GLN 85 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3mcs h GLN 85 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3mcs h GLN 85 CO -0.11 0.42 -0.08 0.44 -0.67 0.00 0.00 178.83 178.83 3mcs n ILE 86 N -3.95 0.00 -4.17 2.54 -5.35 -0.30 -4.94 119.36 103.19 3mcs n ILE 86 Ca -0.02 -0.46 -0.34 0.00 -0.27 0.00 0.00 62.75 61.66 3mcs n ILE 86 Cb 0.46 1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 39.33 3mcs n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mcs s ALA 87 N -0.80 3.29 -0.15 -1.28 0.00 0.66 -1.32 121.76 122.16 3mcs s ALA 87 Ca 0.04 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3mcs s ALA 87 Cb 0.04 -1.75 -0.25 0.00 0.00 0.00 0.00 23.12 21.16 3mcs s ALA 87 CO 0.11 0.27 0.72 1.49 0.00 0.00 0.00 175.76 178.34 3mcs h GLU 88 N 6.41 0.00 0.00 0.00 4.57 -1.05 -3.44 114.58 121.07 3mcs h GLU 88 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3mcs h GLU 88 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3mcs h GLU 88 CO 0.66 0.99 0.00 0.41 -1.18 0.00 0.00 179.01 179.89 3mcs n GLY 89 N 1.60 1.69 5.41 1.92 0.00 -1.25 -5.04 105.19 109.52 3mcs n GLY 89 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3mcs n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mcs n ASN 90 N 0.00 0.00 -3.35 1.61 4.13 -1.26 -2.98 115.26 113.41 3mcs n ASN 90 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 3mcs n ASN 90 Cb 0.00 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 3mcs n ASN 90 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3mcs n LEU 91 N 0.00 -4.90 -4.93 3.41 0.00 -1.24 -5.03 117.00 104.31 3mcs n LEU 91 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 56.01 55.03 3mcs n LEU 91 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 43.42 40.37 3mcs n LEU 91 CO 0.00 0.21 0.51 0.20 0.00 0.00 0.00 177.39 178.32 3mcs s ASN 92 N -3.67 5.33 -0.30 1.96 0.01 -0.30 -4.92 114.94 113.05 3mcs s ASN 92 Ca 0.33 0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 52.87 3mcs s ASN 92 Cb -0.05 -1.40 0.12 0.00 0.41 0.00 0.00 41.25 40.33 3mcs s ASN 92 CO 0.75 -1.21 0.66 -0.94 -1.51 0.00 0.00 177.10 174.86 3mcs s SER 93 N -4.38 -1.10 -0.18 -1.22 1.04 -1.26 -1.34 113.70 105.26 3mcs s SER 93 Ca 0.56 1.56 -0.12 0.00 0.48 0.00 0.00 55.95 58.43 3mcs s SER 93 Cb -0.11 2.09 -0.05 0.00 0.10 0.00 0.00 66.02 68.06 3mcs s SER 93 CO 0.43 -0.22 0.20 0.00 0.98 0.00 0.00 173.24 174.63 3mcs s ALA 94 N 2.60 3.65 -0.20 5.32 0.00 -0.10 -4.95 121.76 128.08 3mcs s ALA 94 Ca -0.07 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 3mcs s ALA 94 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3mcs s ALA 94 CO -0.19 0.14 0.08 -1.21 0.00 0.00 0.00 175.76 174.59 3mcs s GLU 95 N 0.36 3.97 -0.09 0.00 2.02 -1.26 -1.19 118.70 122.50 3mcs s GLU 95 Ca 0.12 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.81 3mcs s GLU 95 Cb -0.12 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 3mcs s GLU 95 CO 0.01 0.19 -0.23 0.42 0.02 0.00 0.00 175.26 175.66 3mcs s ILE 96 N 0.63 1.99 -0.44 -1.63 1.01 0.22 -1.14 121.20 121.84 3mcs s ILE 96 Ca 0.04 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3mcs s ILE 96 Cb -0.13 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.64 3mcs s ILE 96 CO 0.01 0.55 1.25 -1.81 0.00 0.00 0.00 174.94 174.94 3mcs s ASP 97 N 0.31 6.52 0.05 3.58 1.01 0.44 -4.21 116.67 124.38 3mcs s ASP 97 Ca -0.17 0.64 -0.31 0.00 0.71 0.00 0.00 52.55 53.43 3mcs s ASP 97 Cb -0.17 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 3mcs s ASP 97 CO 0.08 -1.31 1.39 -0.69 0.21 0.00 0.00 175.17 174.85 3mcs s VAL 98 N 4.83 3.55 -0.27 -1.27 1.01 -1.26 -1.68 120.40 125.31 3mcs s VAL 98 Ca 0.53 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 3mcs s VAL 98 Cb -0.10 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 3mcs s VAL 98 CO 0.32 0.04 -0.28 0.00 0.00 0.00 0.00 175.10 175.18 3mcs n GLN 99 N 4.69 0.60 -3.98 2.72 1.13 0.48 -4.38 117.38 118.64 3mcs n GLN 99 Ca 0.12 0.27 -0.17 0.00 -1.94 0.00 0.00 57.00 55.29 3mcs n GLN 99 Cb 0.43 -1.52 -0.16 0.00 0.11 0.00 0.00 30.24 29.10 3mcs n GLN 99 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3mcs s ILE 100 N -2.50 0.22 -0.14 5.09 1.01 -0.61 -1.71 121.20 122.56 3mcs s ILE 100 Ca -0.37 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3mcs s ILE 100 Cb 0.13 -0.29 0.05 0.00 0.01 0.00 0.00 42.46 42.37 3mcs s ILE 100 CO 0.52 0.14 0.09 0.00 0.00 0.00 0.00 174.94 175.69 3mcs s ALA 101 N 0.80 0.35 -0.02 9.38 0.00 -0.79 0.38 121.76 131.87 3mcs s ALA 101 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3mcs s ALA 101 Cb -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3mcs s ALA 101 CO -0.01 -1.01 -0.00 0.15 0.00 0.00 0.00 175.76 174.88 3mcs s LYS 102 N 2.15 0.24 0.22 0.00 1.02 -0.74 -0.52 119.74 122.12 3mcs s LYS 102 Ca 0.03 0.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.93 3mcs s LYS 102 Cb -0.15 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 3mcs s LYS 102 CO -0.08 -0.10 0.46 0.16 -0.92 0.00 0.00 175.35 174.88 3mcs s ASP 103 N 0.78 -0.11 0.35 2.83 1.47 -0.80 -1.35 116.67 119.84 3mcs s ASP 103 Ca -0.08 -0.82 0.09 0.00 1.18 0.00 0.00 52.55 52.92 3mcs s ASP 103 Cb -0.11 0.56 -0.06 0.00 -0.34 0.00 0.00 42.92 42.97 3mcs s ASP 103 CO -0.01 -1.08 -0.04 -0.54 0.68 0.00 0.00 175.17 174.17 3mcs s LYS 104 N -3.98 1.94 0.03 2.11 1.02 -0.24 -2.16 119.74 118.46 3mcs s LYS 104 Ca 0.19 -1.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.00 3mcs s LYS 104 Cb -0.00 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 3mcs s LYS 104 CO 0.05 0.12 1.22 0.21 -0.92 0.00 0.00 175.35 176.03 3mcs s LYS 105 N -3.66 4.40 -0.25 1.68 2.36 -1.26 -4.50 119.74 118.51 3mcs s LYS 105 Ca 0.34 1.77 -0.10 0.00 -2.55 0.00 0.00 55.97 55.43 3mcs s LYS 105 Cb 0.02 -3.41 -0.05 0.00 -1.05 0.00 0.00 37.83 33.35 3mcs s LYS 105 CO 0.18 -0.32 0.14 0.42 1.55 0.00 0.00 175.35 177.32 3mcs s ILE 106 N 1.41 5.10 -0.58 5.43 1.01 -1.26 -5.01 121.20 127.30 3mcs s ILE 106 Ca 0.59 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3mcs s ILE 106 Cb -0.29 -3.39 0.15 0.00 0.01 0.00 0.00 42.46 38.94 3mcs s ILE 106 CO 0.27 0.33 0.45 -1.61 0.00 0.00 0.00 174.94 174.38 3mcs s GLU 107 N 1.31 2.73 0.53 2.79 0.41 -1.26 -4.68 118.70 120.52 3mcs s GLU 107 Ca 0.07 -2.08 -0.22 0.00 -0.41 0.00 0.00 54.97 52.33 3mcs s GLU 107 Cb -0.14 -3.99 -0.05 0.00 -1.78 0.00 0.00 34.13 28.16 3mcs s GLU 107 CO 0.06 -1.21 1.30 1.14 -0.49 0.00 0.00 175.26 176.06 3mcs s GLN 108 N 0.80 3.29 0.09 1.61 -2.07 -1.26 -5.02 119.66 117.10 3mcs s GLN 108 Ca 0.11 2.10 0.01 0.00 -1.82 0.00 0.00 55.36 55.75 3mcs s GLN 108 Cb -0.22 -2.28 -0.00 0.00 -1.09 0.00 0.00 33.01 29.42 3mcs s GLN 108 CO -0.03 -1.03 0.11 0.27 -1.32 0.00 0.00 175.29 173.29 3mcs n ASN 109 N -0.92 -0.29 0.25 12.60 0.23 -1.26 -5.03 115.26 120.85 3mcs n ASN 109 Ca 0.10 -1.54 0.12 0.00 -0.53 0.00 0.00 54.58 52.72 3mcs n ASN 109 Cb 0.46 0.58 0.65 0.00 -2.08 0.00 0.00 39.78 39.39 3mcs n ASN 109 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3mcs h ASP 110 N 0.54 0.00 0.46 0.53 3.32 -1.96 -3.05 116.42 116.26 3mcs h ASP 110 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3mcs h ASP 110 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3mcs h ASP 110 CO 0.10 0.15 -0.39 0.59 -1.72 0.00 0.00 179.24 177.97 3mcs n ASN 111 N -3.55 0.59 -4.70 6.45 4.13 -1.26 -4.94 115.26 111.98 3mcs n ASN 111 Ca -0.01 -0.37 -0.44 0.00 1.68 0.00 0.00 54.58 55.44 3mcs n ASN 111 Cb 0.30 0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 3mcs n ASN 111 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3mcs n THR 112 N -1.26 0.16 -3.93 3.41 -1.04 -1.15 -3.55 114.28 106.91 3mcs n THR 112 Ca 0.08 -0.04 -0.28 0.00 -2.04 0.00 0.00 64.05 61.77 3mcs n THR 112 Cb 0.34 -1.80 -0.17 0.00 -1.82 0.00 0.00 70.33 66.88 3mcs n THR 112 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3mcs s PHE 113 N 0.89 1.68 0.00 -1.42 5.36 -0.85 -4.71 117.98 118.93 3mcs s PHE 113 Ca 0.75 -0.89 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 3mcs s PHE 113 Cb -0.57 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 3mcs s PHE 113 CO 0.37 -0.56 -0.14 0.00 -1.46 0.00 0.00 175.22 173.42 3mcs s ALA 114 N 1.65 2.72 0.01 11.12 0.00 -1.25 -0.65 121.76 135.35 3mcs s ALA 114 Ca 0.05 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3mcs s ALA 114 Cb -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3mcs s ALA 114 CO -0.09 0.58 -0.05 0.08 0.00 0.00 0.00 175.76 176.28 3mcs s VAL 115 N -0.88 0.38 -0.09 0.00 1.01 -0.59 -0.39 120.40 119.83 3mcs s VAL 115 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3mcs s VAL 115 Cb -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 35.93 3mcs s VAL 115 CO 0.04 -0.06 -0.05 -0.47 0.00 0.00 0.00 175.10 174.57 3mcs s TYR 116 N -0.50 1.17 -0.02 5.22 5.04 -0.30 -1.89 117.35 126.07 3mcs s TYR 116 Ca -0.02 -0.51 0.07 0.00 -2.44 0.00 0.00 57.07 54.17 3mcs s TYR 116 Cb -0.04 -1.05 -0.02 0.00 0.35 0.00 0.00 41.96 41.19 3mcs s TYR 116 CO -0.00 -0.43 -0.24 0.99 -1.34 0.00 0.00 175.55 174.53 3mcs s THR 117 N 1.73 2.24 -0.11 4.34 2.01 -0.27 -0.85 115.64 124.73 3mcs s THR 117 Ca 0.04 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3mcs s THR 117 Cb -0.13 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3mcs s THR 117 CO -0.06 0.57 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.55 3mcs s VAL 118 N -0.64 1.78 -0.18 3.82 1.01 -0.66 -0.62 120.40 124.91 3mcs s VAL 118 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3mcs s VAL 118 Cb -0.10 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3mcs s VAL 118 CO -0.01 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.88 3mcs s ILE 119 N 0.67 1.45 -0.55 2.22 1.01 0.42 -2.24 121.20 124.18 3mcs s ILE 119 Ca -0.12 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 3mcs s ILE 119 Cb -0.16 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.81 3mcs s ILE 119 CO 0.03 0.17 0.81 -1.81 0.00 0.00 0.00 174.94 174.13 3mcs s ASP 120 N 1.48 6.26 0.27 3.58 1.01 -0.62 -1.15 116.67 127.50 3mcs s ASP 120 Ca -0.00 -0.72 -0.18 0.00 0.71 0.00 0.00 52.55 52.35 3mcs s ASP 120 Cb -0.16 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 3mcs s ASP 120 CO -0.08 -1.12 0.75 0.54 0.21 0.00 0.00 175.17 175.47 3mcs s VAL 121 N 3.37 4.59 0.15 -1.27 0.11 -0.29 -0.02 120.40 127.04 3mcs s VAL 121 Ca 0.22 1.18 -0.31 0.00 -2.93 0.00 0.00 61.98 60.14 3mcs s VAL 121 Cb -0.16 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 30.85 3mcs s VAL 121 CO 0.14 0.03 1.38 -0.54 -3.33 0.00 0.00 175.10 172.78 3mcs s LYS 122 N -2.43 4.33 0.38 1.54 1.02 -1.26 -4.77 119.74 118.55 3mcs s LYS 122 Ca 0.48 2.10 0.14 0.00 0.02 0.00 0.00 55.97 58.71 3mcs s LYS 122 Cb -0.14 -3.22 0.96 0.00 -0.52 0.00 0.00 37.83 34.91 3mcs s LYS 122 CO 0.19 -0.40 1.83 -1.35 -0.92 0.00 0.00 175.35 174.71 3mcs h PRO 123 N 6.33 0.52 -0.11 -1.68 0.11 -1.95 -0.32 132.00 134.90 3mcs h PRO 123 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3mcs h PRO 123 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3mcs h PRO 123 CO 0.84 0.34 -0.11 1.05 -0.21 0.00 0.00 178.00 179.91 3mcs h GLU 124 N 0.54 0.16 -0.48 1.05 9.09 -2.04 -3.05 114.58 119.84 3mcs h GLU 124 Ca 0.50 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3mcs h GLU 124 Cb 1.06 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3mcs h GLU 124 CO -0.24 0.29 0.00 0.09 0.05 0.00 0.00 179.01 179.20 3mcs n ASN 125 N -4.32 3.45 -0.08 3.06 5.03 -0.18 -4.72 115.26 117.51 3mcs n ASN 125 Ca -0.01 -1.96 -0.10 0.00 0.87 0.00 0.00 54.58 53.38 3mcs n ASN 125 Cb 0.24 -0.32 -0.03 0.00 -1.02 0.00 0.00 39.78 38.65 3mcs n ASN 125 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 3mcs h ASP 126 N 3.79 0.36 0.30 6.41 3.58 -1.33 -1.73 116.42 127.81 3mcs h ASP 126 Ca 0.00 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 3mcs h ASP 126 Cb 0.91 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 3mcs h ASP 126 CO 0.00 0.39 -0.49 0.11 -2.88 0.00 0.00 179.24 176.37 3mcs h LYS 127 N 0.30 -0.81 -0.94 0.28 6.56 -1.84 -0.91 116.57 119.21 3mcs h LYS 127 Ca 0.09 0.06 0.07 0.00 -1.06 0.00 0.00 60.65 59.80 3mcs h LYS 127 Cb 0.13 0.18 -0.07 0.00 -0.57 0.00 0.00 32.23 31.91 3mcs h LYS 127 CO -0.01 -0.54 0.59 1.49 -2.06 0.00 0.00 179.45 178.93 3mcs h GLU 128 N -0.84 1.04 -0.59 3.15 4.81 -1.90 -2.53 114.58 117.72 3mcs h GLU 128 Ca -0.03 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 3mcs h GLU 128 Cb 0.77 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3mcs h GLU 128 CO -0.16 0.69 -0.04 0.35 -0.73 0.00 0.00 179.01 179.12 3mcs h PHE 129 N 1.07 1.18 -0.29 0.92 3.04 -1.15 -2.96 116.94 118.75 3mcs h PHE 129 Ca 0.41 -0.22 0.06 0.00 3.98 0.00 0.00 57.97 62.20 3mcs h PHE 129 Cb 0.19 -0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.34 3mcs h PHE 129 CO -0.02 1.05 -0.08 0.00 -2.02 0.00 0.00 178.31 177.24 3mcs h ALA 130 N 0.97 0.18 -0.19 2.41 0.00 -0.71 0.79 119.26 122.71 3mcs h ALA 130 Ca 0.16 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3mcs h ALA 130 Cb 0.60 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3mcs h ALA 130 CO 0.04 -0.47 -0.19 0.93 0.00 0.00 0.00 179.25 179.56 3mcs h GLU 131 N -0.01 0.32 0.27 0.00 4.39 -1.52 -1.91 114.58 116.11 3mcs h GLU 131 Ca 0.14 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3mcs h GLU 131 Cb 0.23 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3mcs h GLU 131 CO -0.31 0.50 -0.13 0.82 -1.16 0.00 0.00 179.01 178.73 3mcs h ILE 132 N 0.29 0.76 -0.55 3.13 2.04 -0.99 -2.92 117.51 119.27 3mcs h ILE 132 Ca 0.05 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 3mcs h ILE 132 Cb 0.51 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3mcs h ILE 132 CO 0.03 0.12 0.08 -0.29 0.00 0.00 0.00 178.15 178.10 3mcs h ILE 133 N -0.71 1.24 -0.52 -0.67 2.10 -0.86 -2.19 117.51 115.90 3mcs h ILE 133 Ca -0.04 -0.94 0.09 0.00 1.08 0.00 0.00 64.86 65.05 3mcs h ILE 133 Cb 0.48 0.73 -0.07 0.00 -1.09 0.00 0.00 36.82 36.88 3mcs h ILE 133 CO 0.06 0.34 0.12 0.11 -1.08 0.00 0.00 178.15 177.70 3mcs h LYS 134 N 0.84 0.25 -0.08 2.19 1.57 -1.36 -0.00 116.57 119.97 3mcs h LYS 134 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3mcs h LYS 134 Cb 0.39 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3mcs h LYS 134 CO 0.01 0.17 0.04 -0.97 -0.57 0.00 0.00 179.45 178.12 3mcs h ASN 135 N 0.26 0.11 -0.70 0.86 -0.00 -1.25 -2.30 115.58 112.55 3mcs h ASN 135 Ca 0.26 -0.11 0.02 0.00 -0.00 0.00 0.00 56.30 56.47 3mcs h ASN 135 Cb 0.36 -0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 38.61 3mcs h ASN 135 CO -0.33 0.19 0.45 0.40 -0.00 0.00 0.00 177.43 178.14 3mcs h ILE 136 N 0.01 1.14 -0.46 2.57 1.08 -0.93 -0.76 117.51 120.16 3mcs h ILE 136 Ca 0.03 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.11 3mcs h ILE 136 Cb 0.11 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 3mcs h ILE 136 CO -0.00 0.16 -0.03 0.58 -0.69 0.00 0.00 178.15 178.17 3mcs h VAL 137 N 0.90 1.25 -0.49 1.67 2.07 -0.90 -1.02 116.25 119.74 3mcs h VAL 137 Ca 0.27 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 3mcs h VAL 137 Cb -0.05 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3mcs h VAL 137 CO -0.08 0.36 -0.11 -0.33 0.02 0.00 0.00 177.57 177.44 3mcs h GLU 138 N 0.72 0.93 -0.66 1.57 5.08 -0.92 -2.37 114.58 118.94 3mcs h GLU 138 Ca 0.14 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3mcs h GLU 138 Cb 0.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3mcs h GLU 138 CO 0.02 1.01 0.40 1.15 -1.00 0.00 0.00 179.01 180.60 3mcs h THR 139 N 0.79 1.07 -0.60 1.13 2.02 -0.93 -2.70 112.91 113.68 3mcs h THR 139 Ca 0.12 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3mcs h THR 139 Cb 0.66 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3mcs h THR 139 CO 0.05 0.14 0.36 0.74 0.37 0.00 0.00 175.52 177.18 3mcs h THR 140 N 0.79 1.04 -0.41 3.16 2.02 -0.97 -2.42 112.91 116.12 3mcs h THR 140 Ca 0.27 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3mcs h THR 140 Cb 0.04 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3mcs h THR 140 CO -0.11 0.13 0.17 0.15 0.37 0.00 0.00 175.52 176.22 3mcs h PHE 141 N 0.70 0.57 0.00 3.16 3.57 -1.11 0.08 116.94 123.91 3mcs h PHE 141 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3mcs h PHE 141 Cb 0.06 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3mcs h PHE 141 CO -0.06 0.44 0.00 0.09 -2.23 0.00 0.00 178.31 176.55 3mcs n ASN 142 N -4.38 0.18 -4.76 0.41 4.13 -0.95 -4.71 115.26 105.19 3mcs n ASN 142 Ca 0.03 0.52 -0.37 0.00 1.68 0.00 0.00 54.58 56.44 3mcs n ASN 142 Cb 0.14 -0.57 0.01 0.00 -1.54 0.00 0.00 39.78 37.82 3mcs n ASN 142 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3mcs s GLU 143 N -3.04 3.40 0.05 3.52 2.56 0.01 -4.96 118.70 120.25 3mcs s GLU 143 Ca 0.11 1.87 -0.30 0.00 0.00 0.00 0.00 54.97 56.65 3mcs s GLU 143 Cb 0.15 -2.22 -0.05 0.00 2.00 0.00 0.00 34.13 34.01 3mcs s GLU 143 CO 0.47 -0.87 1.13 -2.00 -0.56 0.00 0.00 175.26 173.42 3mcs s GLU 144 N -2.95 4.48 0.00 4.30 2.56 -1.26 -3.17 118.70 122.67 3mcs s GLU 144 Ca 0.69 1.66 0.00 0.00 0.00 0.00 0.00 54.97 57.33 3mcs s GLU 144 Cb -0.31 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.44 3mcs s GLU 144 CO 0.36 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.30 3mcs n GLY 145 N 3.04 2.38 3.69 -1.50 0.00 -1.26 -4.93 105.19 106.60 3mcs n GLY 145 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3mcs n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mcs s THR 146 N -2.55 4.15 -0.10 2.61 2.01 -1.19 -0.16 115.64 120.41 3mcs s THR 146 Ca 0.00 1.48 0.18 0.00 0.31 0.00 0.00 61.69 63.67 3mcs s THR 146 Cb 0.00 -3.95 -0.27 0.00 0.01 0.00 0.00 72.50 68.29 3mcs s THR 146 CO 0.00 -0.01 0.25 0.18 -0.69 0.00 0.00 174.62 174.35 3mcs n LEU 147 N 5.33 0.00 -3.62 4.42 4.77 0.03 -4.91 117.00 123.01 3mcs n LEU 147 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3mcs n LEU 147 Cb 0.46 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 3mcs n LEU 147 CO 0.56 0.22 0.52 -0.22 -1.33 0.00 0.00 177.39 177.14 3mcs s LEU 148 N -4.86 -0.65 -0.12 2.23 0.20 -0.88 -1.07 118.68 113.52 3mcs s LEU 148 Ca -0.08 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 55.90 3mcs s LEU 148 Cb 0.09 2.30 0.06 0.00 -0.43 0.00 0.00 46.19 48.21 3mcs s LEU 148 CO 0.79 -0.26 0.13 0.68 -0.29 0.00 0.00 176.35 177.40 3mcs s VAL 149 N 0.14 -0.20 -0.21 1.68 -7.23 -0.46 -1.67 120.40 112.45 3mcs s VAL 149 Ca -0.00 0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 3mcs s VAL 149 Cb -0.04 -0.41 -0.00 0.00 0.56 0.00 0.00 36.38 36.48 3mcs s VAL 149 CO -0.00 -0.03 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.37 3mcs s TYR 150 N 2.23 2.91 -0.10 2.82 2.02 0.67 -1.79 117.35 126.11 3mcs s TYR 150 Ca 0.04 -1.08 0.03 0.00 -0.37 0.00 0.00 57.07 55.68 3mcs s TYR 150 Cb -0.14 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 3mcs s TYR 150 CO -0.07 -0.59 -0.18 -1.17 -1.57 0.00 0.00 175.55 171.97 3mcs s LEU 151 N 1.40 1.84 0.37 -1.29 2.96 0.16 -1.24 118.68 122.89 3mcs s LEU 151 Ca 0.05 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.35 3mcs s LEU 151 Cb -0.14 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.47 3mcs s LEU 151 CO -0.05 0.07 0.81 -0.83 -1.32 0.00 0.00 176.35 175.03 3mcs s GLY 152 N 0.69 0.36 0.01 7.98 0.00 -0.77 -0.39 107.32 115.20 3mcs s GLY 152 Ca -0.13 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 43.94 3mcs s GLY 152 CO 0.03 -0.09 -0.22 -0.51 0.00 0.00 0.00 173.10 172.31 3mcs s THR 153 N -2.25 2.43 0.34 0.90 -4.23 -0.68 -0.20 115.64 111.96 3mcs s THR 153 Ca 0.16 -1.13 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 3mcs s THR 153 Cb -0.05 -1.93 -0.10 0.00 1.34 0.00 0.00 72.50 71.75 3mcs s THR 153 CO 0.11 0.47 1.36 -0.62 -0.54 0.00 0.00 174.62 175.40 3mcs s ASP 154 N -0.99 6.65 0.38 3.99 -1.08 -0.46 -0.42 116.67 124.73 3mcs s ASP 154 Ca 0.12 2.79 0.27 0.00 -0.52 0.00 0.00 52.55 55.20 3mcs s ASP 154 Cb -0.10 -2.65 0.89 0.00 -1.46 0.00 0.00 42.92 39.59 3mcs s ASP 154 CO 0.02 -0.63 1.78 0.03 0.52 0.00 0.00 175.17 176.88 3mcs h ARG 155 N 3.32 0.00 0.00 4.34 3.08 -1.49 -2.46 114.38 121.17 3mcs h ARG 155 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3mcs h ARG 155 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3mcs h ARG 155 CO 0.65 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 179.40 3mcs h ARG 156 N 0.00 0.00 -0.72 0.04 3.08 -1.90 -3.44 114.38 111.44 3mcs h ARG 156 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 3mcs h ARG 156 Cb 0.65 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.50 3mcs h ARG 156 CO 0.00 0.15 -0.14 1.21 -1.07 0.00 0.00 179.97 180.12 3mcs s ASN 157 N -6.23 -1.05 0.00 7.04 2.47 -0.93 -5.04 114.94 111.20 3mcs s ASN 157 Ca 0.05 0.49 0.18 0.00 0.42 0.00 0.00 52.86 54.01 3mcs s ASN 157 Cb 0.06 1.81 1.06 0.00 -1.45 0.00 0.00 41.25 42.73 3mcs s ASN 157 CO 0.68 -0.19 1.50 2.22 -3.72 0.00 0.00 177.10 177.59 3mcs n PHE 158 N 5.41 0.00 1.23 0.43 1.16 -1.18 -1.58 117.46 122.93 3mcs n PHE 158 Ca -0.01 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.71 3mcs n PHE 158 Cb 0.53 -0.06 0.48 0.00 -1.61 0.00 0.00 39.48 38.82 3mcs n PHE 158 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3mcs n ASN 159 N -1.06 0.55 -4.34 5.98 5.03 -1.26 -4.69 115.26 115.48 3mcs n ASN 159 Ca 0.13 -0.45 -0.46 0.00 0.87 0.00 0.00 54.58 54.67 3mcs n ASN 159 Cb 0.08 -0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.79 3mcs n ASN 159 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3mcs s LYS 160 N -2.66 3.09 0.12 3.52 2.20 -0.61 -1.14 119.74 124.27 3mcs s LYS 160 Ca 0.22 -1.65 -0.22 0.00 -0.36 0.00 0.00 55.97 53.96 3mcs s LYS 160 Cb 0.19 -4.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.12 3mcs s LYS 160 CO 0.54 -1.42 0.67 -1.58 -0.36 0.00 0.00 175.35 173.20 3mcs s TRP 161 N 1.87 3.85 -0.12 4.03 0.52 -0.30 -1.36 118.94 127.43 3mcs s TRP 161 Ca 0.09 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.67 3mcs s TRP 161 Cb -0.25 -2.63 0.01 0.00 -1.15 0.00 0.00 33.47 29.46 3mcs s TRP 161 CO 0.02 0.55 -0.17 0.00 0.02 0.00 0.00 176.95 177.38 3mcs s LEU 163 N 1.01 2.24 -0.15 0.00 2.96 0.21 -1.84 118.68 123.12 3mcs s LEU 163 Ca -0.05 -0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 52.99 3mcs s LEU 163 Cb -0.15 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3mcs s LEU 163 CO -0.03 -0.12 -0.04 0.12 -1.32 0.00 0.00 176.35 174.96 3mcs s PHE 164 N 1.39 3.03 -0.08 5.38 5.36 -0.37 -1.11 117.98 131.57 3mcs s PHE 164 Ca -0.00 -0.24 -0.07 0.00 -0.96 0.00 0.00 56.93 55.66 3mcs s PHE 164 Cb -0.16 -1.93 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3mcs s PHE 164 CO -0.09 0.02 0.21 -1.83 -1.46 0.00 0.00 175.22 172.07 3mcs s GLU 165 N 0.21 0.23 -0.04 10.12 -1.05 -0.79 -0.24 118.70 127.13 3mcs s GLU 165 Ca -0.02 0.32 0.07 0.00 -0.15 0.00 0.00 54.97 55.19 3mcs s GLU 165 Cb -0.14 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.60 3mcs s GLU 165 CO 0.03 -0.06 -0.25 0.08 0.95 0.00 0.00 175.26 176.01 3mcs s VAL 166 N 0.34 2.11 0.19 1.83 1.01 -0.67 -1.54 120.40 123.66 3mcs s VAL 166 Ca -0.02 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 60.99 3mcs s VAL 166 Cb -0.03 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3mcs s VAL 166 CO -0.01 0.58 -0.20 -0.31 0.00 0.00 0.00 175.10 175.15 3mcs s TYR 167 N -0.42 2.02 0.30 5.22 1.51 0.17 -0.79 117.35 125.36 3mcs s TYR 167 Ca 0.04 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3mcs s TYR 167 Cb -0.12 -0.97 0.49 0.00 -0.11 0.00 0.00 41.96 41.25 3mcs s TYR 167 CO 0.01 0.44 1.75 1.57 -1.11 0.00 0.00 175.55 178.21 3mcs h LYS 168 N 3.02 0.37 -3.10 -0.62 2.10 -0.86 -2.26 116.57 115.24 3mcs h LYS 168 Ca -0.43 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.09 3mcs h LYS 168 Cb 1.22 -0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 32.42 3mcs h LYS 168 CO 0.52 0.62 0.15 0.16 -2.00 0.00 0.00 179.45 178.91 3mcs s ASP 169 N -6.84 -0.40 0.45 7.07 1.47 -1.23 -3.45 116.67 113.74 3mcs s ASP 169 Ca -0.06 -0.29 0.11 0.00 1.18 0.00 0.00 52.55 53.49 3mcs s ASP 169 Cb 0.14 0.62 1.02 0.00 -0.34 0.00 0.00 42.92 44.36 3mcs s ASP 169 CO 0.77 -1.08 2.09 -0.29 0.68 0.00 0.00 175.17 177.35 3mcs h ILE 170 N 2.07 1.06 -0.62 2.11 2.10 -1.89 -1.69 117.51 120.65 3mcs h ILE 170 Ca -0.29 -0.12 -0.06 0.00 1.08 0.00 0.00 64.86 65.47 3mcs h ILE 170 Cb 1.28 0.69 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 3mcs h ILE 170 CO 0.35 0.06 0.17 0.44 -1.08 0.00 0.00 178.15 178.09 3mcs h ASP 171 N 0.34 0.93 -0.74 2.19 5.19 -1.97 -2.00 116.42 120.37 3mcs h ASP 171 Ca 0.09 -0.22 0.07 0.00 -0.62 0.00 0.00 57.03 56.35 3mcs h ASP 171 Cb -0.03 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 39.17 3mcs h ASP 171 CO -0.02 0.91 0.42 0.28 -3.12 0.00 0.00 179.24 177.72 3mcs h SER 172 N 0.91 0.63 -0.36 6.45 0.02 -1.66 0.50 113.55 120.03 3mcs h SER 172 Ca 0.20 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3mcs h SER 172 Cb 0.33 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3mcs h SER 172 CO -0.00 0.39 0.01 0.22 -1.14 0.00 0.00 176.83 176.32 3mcs h TYR 173 N 0.76 0.69 -0.38 3.45 3.20 -1.42 -1.72 116.97 121.56 3mcs h TYR 173 Ca 0.34 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 3mcs h TYR 173 Cb 0.23 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3mcs h TYR 173 CO -0.07 0.72 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.95 3mcs h LEU 174 N 0.45 0.68 -1.10 2.82 3.38 -0.75 -2.18 115.31 118.61 3mcs h LEU 174 Ca 0.10 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3mcs h LEU 174 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mcs h LEU 174 CO 0.02 0.85 -0.35 0.78 0.09 0.00 0.00 178.44 179.83 3mcs h ASN 175 N 0.62 0.19 -0.13 -0.43 2.35 -0.86 -0.53 115.58 116.79 3mcs h ASN 175 Ca 0.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3mcs h ASN 175 Cb 0.61 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3mcs h ASN 175 CO 0.04 0.53 0.04 -0.74 -1.65 0.00 0.00 177.43 175.65 3mcs h HIS 176 N 0.16 0.20 -0.00 1.19 -0.00 -0.84 -2.81 115.15 113.05 3mcs h HIS 176 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3mcs h HIS 176 Cb 0.69 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 3mcs h HIS 176 CO 0.01 0.31 -0.28 2.89 -0.00 0.00 0.00 177.93 180.86 3mcs n ARG 177 N -4.88 0.15 -0.22 5.26 1.85 -0.86 -2.92 116.66 115.04 3mcs n ARG 177 Ca -0.05 -0.06 0.11 0.00 -1.00 0.00 0.00 57.85 56.84 3mcs n ARG 177 Cb 0.13 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.31 3mcs n ARG 177 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3mcs n SER 178 N -1.37 2.98 -4.81 2.89 3.41 -0.23 -4.36 113.62 112.13 3mcs n SER 178 Ca 0.08 -1.94 -0.35 0.00 -0.26 0.00 0.00 58.87 56.39 3mcs n SER 178 Cb 0.33 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3mcs n SER 178 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mcs s ALA 179 N -1.43 3.27 0.22 7.33 0.00 -1.06 -4.91 121.76 125.18 3mcs s ALA 179 Ca 0.38 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 3mcs s ALA 179 Cb 0.21 -2.96 0.34 0.00 0.00 0.00 0.00 23.12 20.71 3mcs s ALA 179 CO 0.29 0.25 1.70 -0.22 0.00 0.00 0.00 175.76 177.78 3mcs h LYS 180 N 2.84 0.24 -0.05 0.00 3.64 -1.92 -0.62 116.57 120.71 3mcs h LYS 180 Ca -0.48 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3mcs h LYS 180 Cb 1.19 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3mcs h LYS 180 CO 0.64 0.16 0.00 0.10 -2.27 0.00 0.00 179.45 178.09 3mcs h TYR 181 N 0.25 0.07 0.11 1.91 -0.00 -1.94 0.11 116.97 117.49 3mcs h TYR 181 Ca 0.34 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.83 3mcs h TYR 181 Cb 0.54 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 3mcs h TYR 181 CO -0.26 0.07 -1.21 0.35 -0.00 0.00 0.00 178.16 177.11 3mcs h PHE 182 N 0.07 0.44 -0.51 0.10 3.57 -1.49 -3.02 116.94 116.10 3mcs h PHE 182 Ca 0.02 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.24 3mcs h PHE 182 Cb 0.05 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3mcs h PHE 182 CO 0.00 1.47 0.27 0.87 -2.23 0.00 0.00 178.31 178.69 3mcs h LYS 183 N -0.37 0.51 -0.82 1.11 1.57 -0.94 -0.97 116.57 116.65 3mcs h LYS 183 Ca -0.26 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3mcs h LYS 183 Cb 1.69 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.84 3mcs h LYS 183 CO 0.07 0.34 0.54 -0.44 -0.57 0.00 0.00 179.45 179.38 3mcs h ASP 184 N 0.52 0.84 -0.35 0.86 3.32 -0.91 -1.77 116.42 118.93 3mcs h ASP 184 Ca 0.22 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3mcs h ASP 184 Cb 0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3mcs h ASP 184 CO -0.14 0.56 -0.01 0.22 -1.72 0.00 0.00 179.24 178.15 3mcs h TYR 185 N 0.97 0.68 -0.10 4.55 3.20 -1.20 -0.75 116.97 124.32 3mcs h TYR 185 Ca 0.34 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3mcs h TYR 185 Cb 0.12 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3mcs h TYR 185 CO -0.00 0.73 -0.07 0.82 -1.64 0.00 0.00 178.16 178.01 3mcs h ILE 186 N 0.42 0.80 -0.07 1.81 1.08 -0.75 -1.46 117.51 119.34 3mcs h ILE 186 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 3mcs h ILE 186 Cb 0.47 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3mcs h ILE 186 CO 0.02 0.00 -0.05 0.74 -0.69 0.00 0.00 178.15 178.17 3mcs h THR 187 N -0.07 0.83 -0.86 -0.27 2.02 -1.24 -1.93 112.91 111.41 3mcs h THR 187 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3mcs h THR 187 Cb 0.16 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3mcs h THR 187 CO -0.14 0.00 0.55 -0.61 0.37 0.00 0.00 175.52 175.69 3mcs h GLN 188 N -0.06 1.04 -0.08 6.66 4.15 -0.90 -3.08 115.11 122.84 3mcs h GLN 188 Ca 0.05 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3mcs h GLN 188 Cb 0.13 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3mcs h GLN 188 CO -0.11 0.69 0.00 0.25 -1.93 0.00 0.00 178.83 177.73 3mcs n THR 189 N -4.55 0.07 -0.24 2.39 -2.24 -0.57 -4.63 114.28 104.51 3mcs n THR 189 Ca 0.11 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 3mcs n THR 189 Cb 0.09 1.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.41 3mcs n THR 189 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3mcs h LYS 190 N 3.77 -0.07 -2.38 -0.78 6.56 -1.25 -3.01 116.57 119.40 3mcs h LYS 190 Ca 0.00 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.09 3mcs h LYS 190 Cb 0.80 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 32.40 3mcs h LYS 190 CO 0.00 -0.05 1.47 -0.25 -2.06 0.00 0.00 179.45 178.56 3mcs n ASP 191 N -5.46 7.04 -0.02 0.86 8.00 -1.26 -4.87 116.55 120.83 3mcs n ASP 191 Ca 0.07 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.75 3mcs n ASP 191 Cb 0.37 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3mcs n ASP 191 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3mcs n ILE 193 N 2.19 0.00 -0.06 0.53 5.41 -1.14 -4.97 119.36 121.32 3mcs n ILE 193 Ca 0.58 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.24 3mcs n ILE 193 Cb 0.51 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.29 3mcs n ILE 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mcs n ALA 194 N -0.02 1.52 -3.56 -1.39 0.00 0.97 -4.85 120.51 113.17 3mcs n ALA 194 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 3mcs n ALA 194 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3mcs n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mcs s GLY 195 N -5.27 -0.32 -0.21 0.00 0.00 -1.15 -5.00 107.32 95.36 3mcs s GLY 195 Ca -0.07 1.55 -0.16 0.00 0.00 0.00 0.00 44.72 46.04 3mcs s GLY 195 CO 0.83 0.59 0.55 1.25 0.00 0.00 0.00 173.10 176.32 3mcs s LYS 196 N -2.33 0.60 -0.18 2.90 2.20 -1.26 -1.59 119.74 120.07 3mcs s LYS 196 Ca 0.06 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.52 3mcs s LYS 196 Cb -0.01 0.19 0.05 0.00 -1.51 0.00 0.00 37.83 36.56 3mcs s LYS 196 CO -0.05 -0.11 0.03 0.21 -0.36 0.00 0.00 175.35 175.06 3mcs s LYS 197 N 0.87 0.70 -0.13 4.03 2.20 -0.95 -5.02 119.74 121.44 3mcs s LYS 197 Ca -0.05 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 3mcs s LYS 197 Cb -0.05 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 3mcs s LYS 197 CO -0.07 -0.58 0.03 0.50 -0.36 0.00 0.00 175.35 174.86 3mcs s ARG 198 N 1.86 3.48 -0.23 4.03 3.52 -1.26 -1.65 118.95 128.69 3mcs s ARG 198 Ca -0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 3mcs s ARG 198 Cb -0.16 -2.99 0.07 0.00 -1.56 0.00 0.00 34.95 30.30 3mcs s ARG 198 CO -0.08 0.49 -0.00 0.00 -0.81 0.00 0.00 175.30 174.90 3mcs s ALA 199 N -0.26 1.59 0.13 6.12 0.00 -0.03 -4.99 121.76 124.31 3mcs s ALA 199 Ca 0.07 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3mcs s ALA 199 Cb -0.12 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 3mcs s ALA 199 CO 0.02 -1.25 1.26 -1.21 0.00 0.00 0.00 175.76 174.58 3mcs s GLU 200 N 1.58 4.41 0.05 0.00 2.02 -1.26 -1.15 118.70 124.35 3mcs s GLU 200 Ca -0.02 1.91 0.09 0.00 0.02 0.00 0.00 54.97 56.97 3mcs s GLU 200 Cb -0.18 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3mcs s GLU 200 CO -0.09 -0.25 -0.25 -0.51 0.02 0.00 0.00 175.26 174.18 3mcs s LEU 201 N 0.56 2.18 -0.45 1.80 1.43 0.47 -4.85 118.68 119.83 3mcs s LEU 201 Ca 0.58 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 3mcs s LEU 201 Cb -0.33 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.72 3mcs s LEU 201 CO 0.33 0.23 0.91 -1.58 0.23 0.00 0.00 176.35 176.47 3mcs s GLN 202 N -1.31 3.56 0.30 1.70 0.74 0.01 -3.84 119.66 120.83 3mcs s GLN 202 Ca 0.11 0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 3mcs s GLN 202 Cb -0.10 -3.91 -0.11 0.00 1.10 0.00 0.00 33.01 29.99 3mcs s GLN 202 CO 0.02 -1.18 1.54 0.08 -0.55 0.00 0.00 175.29 175.20 3mcs s VAL 203 N 3.69 2.18 -0.02 1.34 1.01 -1.26 -0.60 120.40 126.73 3mcs s VAL 203 Ca 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 3mcs s VAL 203 Cb -0.10 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3mcs s VAL 203 CO 0.25 0.03 -0.14 -0.11 0.00 0.00 0.00 175.10 175.13 3mcs n LEU 204 N 1.81 1.41 -3.68 3.92 0.00 -0.01 -4.88 117.00 115.57 3mcs n LEU 204 Ca 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 56.01 56.19 3mcs n LEU 204 Cb 0.38 -0.50 -0.10 0.00 0.00 0.00 0.00 43.42 43.21 3mcs n LEU 204 CO 0.63 -0.55 0.14 -0.75 0.00 0.00 0.00 177.39 176.86 3mcs s LYS 205 N -2.33 0.48 -0.06 1.96 2.47 -0.94 -5.01 119.74 116.31 3mcs s LYS 205 Ca -0.12 0.91 0.03 0.00 -1.56 0.00 0.00 55.97 55.23 3mcs s LYS 205 Cb 0.02 0.02 0.01 0.00 -1.46 0.00 0.00 37.83 36.42 3mcs s LYS 205 CO 0.18 -0.16 -0.13 0.42 0.16 0.00 0.00 175.35 175.82 3mcs s ILE 206 N 1.46 1.19 -0.04 5.43 1.01 -1.26 -0.65 121.20 128.33 3mcs s ILE 206 Ca -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3mcs s ILE 206 Cb -0.07 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.36 3mcs s ILE 206 CO -0.15 0.36 0.08 -1.61 0.00 0.00 0.00 174.94 173.62 3mcs s GLU 207 N 0.49 0.04 0.12 2.79 0.41 -0.93 -4.69 118.70 116.93 3mcs s GLU 207 Ca -0.12 0.23 -0.16 0.00 -0.41 0.00 0.00 54.97 54.52 3mcs s GLU 207 Cb -0.14 -0.15 0.03 0.00 -1.78 0.00 0.00 34.13 32.09 3mcs s GLU 207 CO 0.03 -0.13 0.39 0.54 -0.49 0.00 0.00 175.26 175.60 3mcs s ASN 208 N 0.85 -0.21 0.15 -0.19 4.22 -1.26 -1.01 114.94 117.49 3mcs s ASN 208 Ca -0.07 -0.33 -0.10 0.00 -2.14 0.00 0.00 52.86 50.22 3mcs s ASN 208 Cb -0.09 0.46 -0.03 0.00 1.28 0.00 0.00 41.25 42.87 3mcs s ASN 208 CO -0.03 -0.84 1.47 0.50 -2.04 0.00 0.00 177.10 176.15 3mcs h LYS 209 N 2.40 0.89 0.00 3.55 3.64 -1.68 -3.43 116.57 121.94 3mcs h LYS 209 Ca -0.34 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 3mcs h LYS 209 Cb 1.25 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3mcs h LYS 209 CO 0.47 1.14 0.00 0.41 -2.27 0.00 0.00 179.45 179.20 3mcs n GLY 210 N 0.18 -1.46 2.31 5.01 0.00 -1.26 -4.70 105.19 105.27 3mcs n GLY 210 Ca -0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 3mcs n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcs n GLY 211 N -1.45 0.52 3.77 -0.02 0.00 -0.92 -4.83 105.19 102.25 3mcs n GLY 211 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3mcs n GLY 211 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mcs s LEU 212 N -0.52 4.26 -0.47 0.99 2.96 -1.19 -4.84 118.68 119.87 3mcs s LEU 212 Ca 0.00 2.63 0.06 0.00 -0.22 0.00 0.00 54.13 56.60 3mcs s LEU 212 Cb 0.00 -3.85 0.18 0.00 0.50 0.00 0.00 46.19 43.02 3mcs s LEU 212 CO 0.00 -0.76 0.60 -0.62 -1.32 0.00 0.00 176.35 174.26 3mcs s ASP 213 N -0.72 -0.63 0.04 3.68 2.15 -1.23 -1.90 116.67 118.07 3mcs s ASP 213 Ca 0.55 -1.89 0.09 0.00 0.43 0.00 0.00 52.55 51.73 3mcs s ASP 213 Cb -0.38 1.30 -0.03 0.00 -0.30 0.00 0.00 42.92 43.51 3mcs s ASP 213 CO 0.49 -0.11 -0.26 -0.47 -0.17 0.00 0.00 175.17 174.65 3mcs s TYR 214 N 0.87 2.25 -0.11 -5.34 5.04 0.33 -5.02 117.35 115.37 3mcs s TYR 214 Ca 0.28 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.45 3mcs s TYR 214 Cb -0.01 -1.36 0.05 0.00 0.35 0.00 0.00 41.96 40.99 3mcs s TYR 214 CO -0.08 0.10 0.25 0.21 -1.34 0.00 0.00 175.55 174.69 3mcs s LYS 215 N -1.17 0.18 -0.50 4.97 2.20 -1.26 -1.88 119.74 122.28 3mcs s LYS 215 Ca 0.11 0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 56.07 3mcs s LYS 215 Cb -0.10 -0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.05 3mcs s LYS 215 CO 0.02 -0.21 2.42 1.17 -0.36 0.00 0.00 175.35 178.38 3mcs n LYS 216 N 4.68 1.05 0.00 4.03 4.81 -0.70 -5.03 118.16 127.00 3mcs n LYS 216 Ca -0.18 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3mcs n LYS 216 Cb 0.52 -3.27 0.00 0.00 0.02 0.00 0.00 35.03 32.30 3mcs n LYS 216 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04