#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcp h THR 4 N 0.00 0.51 -0.21 -0.72 2.02 -1.98 -2.12 112.91 110.41 3mcp h THR 4 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3mcp h THR 4 Cb 0.00 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3mcp h THR 4 CO 0.00 0.00 -0.09 0.59 0.37 0.00 0.00 175.52 176.39 3mcp n ASN 5 N -3.83 2.79 -4.73 4.18 3.02 -1.26 -4.41 115.26 111.01 3mcp n ASN 5 Ca -0.01 -3.42 -0.39 0.00 -0.03 0.00 0.00 54.58 50.72 3mcp n ASN 5 Cb 0.17 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 3mcp n ASN 5 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mcp s ASP 6 N -2.51 6.99 0.26 6.41 -1.08 -0.80 -4.97 116.67 120.98 3mcp s ASP 6 Ca 0.40 1.19 0.25 0.00 -0.52 0.00 0.00 52.55 53.87 3mcp s ASP 6 Cb 0.36 -2.40 0.62 0.00 -1.46 0.00 0.00 42.92 40.03 3mcp s ASP 6 CO 0.02 -0.06 1.67 -0.55 0.52 0.00 0.00 175.17 176.78 3mcp h ASN 7 N 6.45 0.00 -2.91 -0.34 -1.07 -1.95 -1.71 115.58 114.05 3mcp h ASN 7 Ca -0.42 -0.02 -0.54 0.00 0.07 0.00 0.00 56.30 55.39 3mcp h ASN 7 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 3mcp h ASN 7 CO 0.74 0.01 0.82 -0.13 0.07 0.00 0.00 177.43 178.94 3mcp s ARG 8 N -3.14 4.28 -0.20 4.14 0.52 -1.26 -4.84 118.95 118.45 3mcp s ARG 8 Ca 0.09 2.01 -0.09 0.00 -0.52 0.00 0.00 55.73 57.22 3mcp s ARG 8 Cb 0.10 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 3mcp s ARG 8 CO 0.63 -0.56 0.10 0.42 0.02 0.00 0.00 175.30 175.91 3mcp s ILE 9 N 2.20 5.09 0.00 1.52 1.01 -1.26 -4.24 121.20 125.51 3mcp s ILE 9 Ca 0.65 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3mcp s ILE 9 Cb -0.33 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3mcp s ILE 9 CO 0.28 0.44 0.00 0.52 0.00 0.00 0.00 174.94 176.17 3mcp n VAL 10 N 3.65 0.00 -3.81 2.92 0.31 -0.49 -0.67 118.33 120.24 3mcp n VAL 10 Ca -0.16 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 3mcp n VAL 10 Cb 0.52 -0.18 0.01 0.00 -0.91 0.00 0.00 33.84 33.27 3mcp n VAL 10 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3mcp s THR 12 N 1.18 0.00 -0.12 2.52 -1.32 0.24 0.01 115.64 118.16 3mcp s THR 12 Ca 0.00 -0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 3mcp s THR 12 Cb 0.00 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.50 3mcp s THR 12 CO 0.00 0.00 0.37 -0.22 -2.21 0.00 0.00 174.62 172.56 3mcp s LEU 13 N -3.50 0.58 -0.40 9.08 0.20 -1.26 -1.64 118.68 121.75 3mcp s LEU 13 Ca 0.24 0.65 -0.00 0.00 0.69 0.00 0.00 54.13 55.70 3mcp s LEU 13 Cb 0.03 1.32 0.11 0.00 -0.43 0.00 0.00 46.19 47.22 3mcp s LEU 13 CO -0.04 -0.19 0.16 -0.62 -0.29 0.00 0.00 176.35 175.37 3mcp s ASP 14 N -0.08 5.07 -0.65 3.68 2.15 -0.21 -4.27 116.67 122.36 3mcp s ASP 14 Ca -0.02 -2.13 -0.02 0.00 0.43 0.00 0.00 52.55 50.81 3mcp s ASP 14 Cb -0.03 -1.76 0.47 0.00 -0.30 0.00 0.00 42.92 41.30 3mcp s ASP 14 CO 0.01 -0.48 2.03 0.00 -0.17 0.00 0.00 175.17 176.57 3mcp n ALA 15 N 4.40 6.29 -0.15 3.66 0.00 -1.26 -2.19 120.51 131.27 3mcp n ALA 15 Ca 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 53.44 49.96 3mcp n ALA 15 Cb 0.41 -1.75 0.02 0.00 0.00 0.00 0.00 19.45 18.13 3mcp n ALA 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mcp h GLY 16 N 1.93 0.16 0.00 0.00 0.00 -1.92 -3.45 103.07 99.79 3mcp h GLY 16 Ca 0.61 0.26 0.00 0.00 0.00 0.00 0.00 47.33 48.20 3mcp h GLY 16 CO 1.56 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 178.51 3mcp n GLY 17 N -1.39 2.04 3.53 4.60 0.00 -1.26 -5.03 105.19 107.68 3mcp n GLY 17 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mcp n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mcp n THR 18 N -0.31 0.00 -3.97 2.61 -2.24 -1.26 -4.90 114.28 104.20 3mcp n THR 18 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3mcp n THR 18 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3mcp n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mcp s ASN 19 N 0.00 0.54 -0.15 3.42 6.03 -1.26 -4.05 114.94 119.47 3mcp s ASN 19 Ca 0.00 -1.34 -0.05 0.00 -1.03 0.00 0.00 52.86 50.44 3mcp s ASN 19 Cb 0.00 0.74 -0.03 0.00 -3.03 0.00 0.00 41.25 38.92 3mcp s ASN 19 CO 0.00 -1.46 0.02 -0.36 -2.03 0.00 0.00 177.10 173.28 3mcp s PHE 20 N -2.77 3.18 -0.27 1.54 0.08 -0.59 -4.41 117.98 114.73 3mcp s PHE 20 Ca 0.24 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.33 3mcp s PHE 20 Cb -0.02 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 3mcp s PHE 20 CO 0.17 0.20 -0.06 0.08 -0.10 0.00 0.00 175.22 175.50 3mcp s VAL 21 N 0.01 1.99 0.01 -0.44 1.01 -0.93 -2.02 120.40 120.04 3mcp s VAL 21 Ca 0.04 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.19 3mcp s VAL 21 Cb -0.13 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 3mcp s VAL 21 CO 0.02 -0.18 0.43 -0.36 0.00 0.00 0.00 175.10 175.01 3mcp s PHE 22 N 1.15 3.74 0.09 5.22 0.40 -0.47 -1.04 117.98 127.07 3mcp s PHE 22 Ca -0.04 1.04 -0.00 0.00 -0.60 0.00 0.00 56.93 57.32 3mcp s PHE 22 Cb -0.19 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.02 3mcp s PHE 22 CO -0.07 0.63 0.13 0.45 0.70 0.00 0.00 175.22 177.06 3mcp n SER 23 N 1.77 -0.36 -3.77 1.36 2.88 -0.65 -1.76 113.62 113.11 3mcp n SER 23 Ca -0.13 -1.50 -0.13 0.00 -1.33 0.00 0.00 58.87 55.78 3mcp n SER 23 Cb 0.52 0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 64.55 3mcp n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mcp s ALA 24 N -1.89 -0.76 -0.09 -1.46 0.00 -1.26 -0.59 121.76 115.71 3mcp s ALA 24 Ca 0.08 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3mcp s ALA 24 Cb -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3mcp s ALA 24 CO 0.05 -0.22 -0.18 0.42 0.00 0.00 0.00 175.76 175.83 3mcp s ILE 25 N -0.86 1.62 -0.06 0.00 1.01 0.10 -2.08 121.20 120.92 3mcp s ILE 25 Ca -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3mcp s ILE 25 Cb -0.04 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.01 3mcp s ILE 25 CO 0.03 0.46 -0.09 -1.58 0.00 0.00 0.00 174.94 173.76 3mcp s GLN 26 N 0.56 1.36 7.14 2.79 0.74 -0.46 -1.40 119.66 130.39 3mcp s GLN 26 Ca -0.15 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 54.97 3mcp s GLN 26 Cb -0.17 -1.21 0.00 0.00 1.10 0.00 0.00 33.01 32.73 3mcp s GLN 26 CO 0.05 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.16 3mcp n GLY 27 N 4.00 3.06 0.18 2.59 0.00 -0.64 -1.56 105.19 112.82 3mcp n GLY 27 Ca -0.23 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.66 3mcp n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcp n GLY 28 N 0.00 -0.70 3.89 -0.02 0.00 -1.25 -4.86 105.19 102.25 3mcp n GLY 28 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3mcp n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mcp s LYS 29 N -2.77 3.72 -0.48 1.61 -2.85 -0.60 -5.04 119.74 113.32 3mcp s LYS 29 Ca 0.14 0.19 -0.23 0.00 -1.00 0.00 0.00 55.97 55.07 3mcp s LYS 29 Cb 0.17 -2.60 0.03 0.00 -2.06 0.00 0.00 37.83 33.38 3mcp s LYS 29 CO 0.70 0.20 0.81 -2.00 0.10 0.00 0.00 175.35 175.16 3mcp s GLU 30 N -3.34 3.36 -0.22 1.78 -6.30 -1.26 -1.36 118.70 111.36 3mcp s GLU 30 Ca 0.47 -0.21 0.15 0.00 -2.50 0.00 0.00 54.97 52.87 3mcp s GLU 30 Cb -0.11 -3.98 0.59 0.00 0.00 0.00 0.00 34.13 30.64 3mcp s GLU 30 CO 0.27 -1.21 1.52 0.44 0.02 0.00 0.00 175.26 176.29 3mcp n ILE 31 N 6.11 2.46 -4.37 -3.70 -5.35 -0.88 -4.94 119.36 108.69 3mcp n ILE 31 Ca 0.01 -1.89 -0.25 0.00 -0.27 0.00 0.00 62.75 60.36 3mcp n ILE 31 Cb 0.48 -0.28 -0.17 0.00 -1.74 0.00 0.00 39.64 37.93 3mcp n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mcp s ALA 32 N -2.89 1.28 -0.13 -1.28 0.00 -1.25 -4.95 121.76 112.53 3mcp s ALA 32 Ca 0.46 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 3mcp s ALA 32 Cb 0.37 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3mcp s ALA 32 CO 0.09 -0.05 2.08 -0.25 0.00 0.00 0.00 175.76 177.63 3mcp n ASP 33 N 4.16 3.43 -4.62 0.00 8.00 -1.26 -4.67 116.55 121.60 3mcp n ASP 33 Ca -0.20 0.60 -0.38 0.00 0.71 0.00 0.00 54.79 55.52 3mcp n ASP 33 Cb 0.51 -1.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.19 3mcp n ASP 33 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3mcp n PRO 34 N 7.88 0.87 -4.02 -0.24 -0.04 -1.26 -4.95 135.00 133.24 3mcp n PRO 34 Ca 0.27 0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 63.77 3mcp n PRO 34 Cb 0.38 -2.17 -0.16 0.00 -0.04 0.00 0.00 33.50 31.50 3mcp n PRO 34 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mcp s VAL 35 N -1.52 1.58 -0.30 0.52 1.01 -0.72 -4.98 120.40 115.99 3mcp s VAL 35 Ca 0.77 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3mcp s VAL 35 Cb -0.41 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3mcp s VAL 35 CO 0.46 0.46 0.13 -0.69 0.00 0.00 0.00 175.10 175.47 3mcp s VAL 36 N 1.48 4.53 0.16 2.92 1.01 -1.26 -1.37 120.40 127.87 3mcp s VAL 36 Ca 0.05 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3mcp s VAL 36 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3mcp s VAL 36 CO -0.11 0.12 -0.18 -0.76 0.00 0.00 0.00 175.10 174.17 3mcp s LEU 37 N 1.61 2.43 0.54 3.92 1.43 -0.86 -5.03 118.68 122.72 3mcp s LEU 37 Ca 0.05 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.14 3mcp s LEU 37 Cb -0.17 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 3mcp s LEU 37 CO 0.06 -0.04 1.00 -2.16 0.23 0.00 0.00 176.35 175.44 3mcp s PRO 38 N -2.74 3.81 -0.61 1.29 0.04 -1.26 -1.54 135.00 133.99 3mcp s PRO 38 Ca 0.15 0.96 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 3mcp s PRO 38 Cb -0.06 -2.11 0.14 0.00 0.04 0.00 0.00 34.50 32.51 3mcp s PRO 38 CO 0.06 -0.39 0.59 0.00 0.04 0.00 0.00 177.00 177.31 3mcp s ALA 39 N -2.68 3.69 -1.13 8.56 0.00 -1.26 -4.68 121.76 124.26 3mcp s ALA 39 Ca 0.59 -2.64 -0.19 0.00 0.00 0.00 0.00 51.96 49.72 3mcp s ALA 39 Cb -0.11 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3mcp s ALA 39 CO 0.35 -2.13 2.01 0.00 0.00 0.00 0.00 175.76 175.99 3mcp h ALA 41 N 7.42 2.06 0.00 0.00 0.00 -1.93 -1.69 119.26 125.12 3mcp h ALA 41 Ca 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 3mcp h ALA 41 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3mcp h ALA 41 CO 1.78 -0.30 -0.29 -0.44 0.00 0.00 0.00 179.25 180.00 3mcp h ASP 42 N 0.00 0.00 -3.78 0.00 5.19 -1.95 -0.23 116.42 115.66 3mcp h ASP 42 Ca 0.10 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.85 3mcp h ASP 42 Cb 0.47 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.60 3mcp h ASP 42 CO -0.00 0.29 -0.75 0.00 -3.12 0.00 0.00 179.24 175.66 3mcp h LEU 44 N 7.72 -1.42 -2.17 0.00 -0.00 -1.78 0.26 115.31 117.92 3mcp h LEU 44 Ca -0.13 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 3mcp h LEU 44 Cb 1.03 0.64 -0.00 0.00 -0.00 0.00 0.00 40.66 42.33 3mcp h LEU 44 CO 0.50 -0.34 -0.06 0.44 -0.00 0.00 0.00 178.44 178.98 3mcp h ASP 45 N -0.25 0.00 0.11 -0.43 3.32 -1.93 -0.78 116.42 116.46 3mcp h ASP 45 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3mcp h ASP 45 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3mcp h ASP 45 CO -0.64 0.06 -0.05 0.11 -1.72 0.00 0.00 179.24 176.99 3mcp h LYS 46 N 0.00 -0.15 0.02 3.56 6.56 -1.24 -2.43 116.57 122.89 3mcp h LYS 46 Ca -0.00 0.01 -0.24 0.00 -1.06 0.00 0.00 60.65 59.36 3mcp h LYS 46 Cb 0.14 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3mcp h LYS 46 CO 0.01 0.34 -1.00 0.00 -2.06 0.00 0.00 179.45 176.74 3mcp h LEU 48 N 0.21 0.48 -0.45 0.00 5.85 -1.28 -0.27 115.31 119.85 3mcp h LEU 48 Ca -0.09 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 3mcp h LEU 48 Cb 1.65 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3mcp h LEU 48 CO 0.17 0.32 -0.69 1.23 -0.34 0.00 0.00 178.44 179.13 3mcp h GLY 49 N 0.55 0.00 1.08 3.75 0.00 -0.95 -3.07 103.07 104.44 3mcp h GLY 49 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 3mcp h GLY 49 CO -0.07 0.00 -0.33 3.43 0.00 0.00 0.00 176.54 179.56 3mcp h ASN 50 N 0.00 0.93 -0.54 0.19 2.35 0.16 -2.27 115.58 116.40 3mcp h ASN 50 Ca -0.01 -0.46 0.08 0.00 -0.55 0.00 0.00 56.30 55.36 3mcp h ASN 50 Cb 1.32 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.37 3mcp h ASN 50 CO 0.09 1.20 0.19 -0.07 -1.65 0.00 0.00 177.43 177.19 3mcp h LEU 51 N 0.68 0.18 -0.13 1.61 3.38 -1.08 1.19 115.31 121.14 3mcp h LEU 51 Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3mcp h LEU 51 Cb 0.92 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3mcp h LEU 51 CO 0.08 0.13 0.08 0.58 0.09 0.00 0.00 178.44 179.40 3mcp h VAL 52 N 0.37 1.05 -0.35 1.22 2.07 -1.51 -1.46 116.25 117.64 3mcp h VAL 52 Ca 0.27 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3mcp h VAL 52 Cb 0.30 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3mcp h VAL 52 CO -0.27 0.05 0.21 -0.08 0.02 0.00 0.00 177.57 177.50 3mcp h GLU 53 N 0.16 0.47 -0.29 1.57 4.81 -0.63 0.25 114.58 120.92 3mcp h GLU 53 Ca 0.05 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3mcp h GLU 53 Cb 0.01 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3mcp h GLU 53 CO -0.01 0.35 -0.01 0.78 -0.73 0.00 0.00 179.01 179.40 3mcp h GLY 54 N 0.46 0.27 1.20 1.92 0.00 0.16 0.29 103.07 107.36 3mcp h GLY 54 Ca 0.13 0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 3mcp h GLY 54 CO -0.02 -0.07 -0.63 0.74 0.00 0.00 0.00 176.54 176.56 3mcp h PHE 55 N 0.07 1.06 -0.97 5.60 0.04 -1.15 -2.95 116.94 118.65 3mcp h PHE 55 Ca 0.14 -0.41 0.01 0.00 2.80 0.00 0.00 57.97 60.51 3mcp h PHE 55 Cb 0.19 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3mcp h PHE 55 CO -0.23 1.24 0.63 0.87 -0.60 0.00 0.00 178.31 180.22 3mcp h LYS 56 N 0.61 1.29 0.01 1.51 1.57 -0.60 -0.28 116.57 120.67 3mcp h LYS 56 Ca -0.01 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3mcp h LYS 56 Cb 1.24 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3mcp h LYS 56 CO 0.13 0.86 -0.26 0.00 -0.57 0.00 0.00 179.45 179.61 3mcp h ALA 57 N 1.35 -0.37 0.78 3.86 0.00 -0.36 -2.34 119.26 122.18 3mcp h ALA 57 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3mcp h ALA 57 Cb -0.13 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mcp h ALA 57 CO -0.07 -0.77 -0.37 0.82 0.00 0.00 0.00 179.25 178.85 3mcp h ILE 58 N -0.41 0.17 -0.96 0.00 2.04 -1.30 -3.12 117.51 113.92 3mcp h ILE 58 Ca 0.06 -0.12 0.25 0.00 1.00 0.00 0.00 64.86 66.05 3mcp h ILE 58 Cb 0.49 0.19 -0.18 0.00 -0.74 0.00 0.00 36.82 36.58 3mcp h ILE 58 CO -0.23 0.01 -0.03 1.67 0.00 0.00 0.00 178.15 179.57 3mcp n GLN 59 N -5.51 -0.08 0.33 2.37 7.27 -0.15 -0.09 117.38 121.53 3mcp n GLN 59 Ca -0.14 1.46 0.21 0.00 0.07 0.00 0.00 57.00 58.60 3mcp n GLN 59 Cb 0.42 -2.29 1.15 0.00 2.41 0.00 0.00 30.24 31.94 3mcp n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3mcp h ALA 60 N 1.93 1.11 -0.48 1.69 0.00 -1.35 -2.65 119.26 119.51 3mcp h ALA 60 Ca 0.56 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.16 3mcp h ALA 60 Cb 1.10 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 3mcp h ALA 60 CO -0.92 -0.03 -0.19 0.41 0.00 0.00 0.00 179.25 178.51 3mcp n GLY 61 N -1.13 5.39 3.77 0.00 0.00 0.87 -5.02 105.19 109.06 3mcp n GLY 61 Ca -0.03 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 3mcp n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcp s LEU 62 N -3.40 3.76 0.00 0.99 1.02 -1.00 -5.00 118.68 115.05 3mcp s LEU 62 Ca 0.48 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.57 3mcp s LEU 62 Cb 0.42 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 44.19 3mcp s LEU 62 CO -0.00 0.16 0.66 -0.81 0.02 0.00 0.00 176.35 176.37 3mcp n PRO 63 N 0.34 0.00 -2.31 1.29 -0.04 -1.26 -4.84 135.00 128.17 3mcp n PRO 63 Ca -0.09 0.33 -0.26 0.00 -0.04 0.00 0.00 63.50 63.45 3mcp n PRO 63 Cb 0.52 -1.23 0.13 0.00 -0.04 0.00 0.00 33.50 32.88 3mcp n PRO 63 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mcp s GLU 64 N -1.99 1.41 0.38 0.54 8.01 -1.26 -5.08 118.70 120.71 3mcp s GLU 64 Ca 0.00 -0.75 -0.15 0.00 0.01 0.00 0.00 54.97 54.08 3mcp s GLU 64 Cb 0.00 -2.15 -0.09 0.00 -4.31 0.00 0.00 34.13 27.59 3mcp s GLU 64 CO 0.00 -1.73 0.80 0.00 0.01 0.00 0.00 175.26 174.34 3mcp s ALA 65 N -3.40 3.25 0.47 5.21 0.00 -1.26 -5.05 121.76 120.97 3mcp s ALA 65 Ca 0.68 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 3mcp s ALA 65 Cb -0.06 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 3mcp s ALA 65 CO 0.47 0.17 1.02 -1.25 0.00 0.00 0.00 175.76 176.17 3mcp s PRO 66 N -3.32 3.92 0.05 0.00 0.04 -1.26 -4.70 135.00 129.73 3mcp s PRO 66 Ca 0.55 1.33 0.22 0.00 0.04 0.00 0.00 61.00 63.15 3mcp s PRO 66 Cb -0.10 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3mcp s PRO 66 CO 0.21 -0.33 0.89 0.28 0.04 0.00 0.00 177.00 178.09 3mcp n VAL 67 N -0.81 0.17 -0.59 -0.36 0.31 0.16 -4.96 118.33 112.24 3mcp n VAL 67 Ca 0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3mcp n VAL 67 Cb 0.52 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 3mcp n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mcp n ALA 68 N -1.94 0.00 -3.70 3.52 0.00 -1.24 -4.46 120.51 112.69 3mcp n ALA 68 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3mcp n ALA 68 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 3mcp n ALA 68 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3mcp s ILE 69 N -2.19 -0.19 0.08 0.00 -4.36 -0.92 -4.38 121.20 109.23 3mcp s ILE 69 Ca 0.00 0.16 0.03 0.00 -0.26 0.00 0.00 60.65 60.58 3mcp s ILE 69 Cb 0.00 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.18 3mcp s ILE 69 CO 0.00 0.07 -0.10 -0.94 0.24 0.00 0.00 174.94 174.21 3mcp s SER 70 N 1.71 1.27 0.12 4.36 1.04 -1.26 -1.17 113.70 119.76 3mcp s SER 70 Ca -0.06 -0.72 -0.25 0.00 0.48 0.00 0.00 55.95 55.39 3mcp s SER 70 Cb -0.10 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.11 3mcp s SER 70 CO -0.10 -0.24 0.84 0.72 0.98 0.00 0.00 173.24 175.43 3mcp s PHE 71 N -2.07 -0.29 0.17 5.02 -0.12 -0.64 -4.17 117.98 115.88 3mcp s PHE 71 Ca 0.00 0.04 -0.11 0.00 -0.05 0.00 0.00 56.93 56.81 3mcp s PHE 71 Cb -0.05 0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 42.87 3mcp s PHE 71 CO -0.00 -0.79 0.51 0.00 -0.05 0.00 0.00 175.22 174.89 3mcp s ALA 72 N -3.40 3.61 -0.03 1.99 0.00 -1.26 -2.27 121.76 120.41 3mcp s ALA 72 Ca 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 3mcp s ALA 72 Cb -0.02 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.69 3mcp s ALA 72 CO -0.04 0.51 0.08 0.12 0.00 0.00 0.00 175.76 176.43 3mcp s PHE 73 N -1.60 -0.09 0.18 0.00 5.36 0.23 -4.47 117.98 117.60 3mcp s PHE 73 Ca 0.41 0.22 -0.14 0.00 -0.96 0.00 0.00 56.93 56.46 3mcp s PHE 73 Cb -0.13 0.02 0.20 0.00 -0.34 0.00 0.00 43.02 42.77 3mcp s PHE 73 CO 0.20 -0.05 1.23 -2.30 -1.46 0.00 0.00 175.22 172.84 3mcp n PRO 74 N 3.08 -0.18 -1.18 10.12 -0.02 -1.26 -4.42 135.00 141.13 3mcp n PRO 74 Ca -0.13 1.22 0.16 0.00 -2.02 0.00 0.00 63.50 62.73 3mcp n PRO 74 Cb 0.59 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 3mcp n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mcp n GLY 75 N -1.38 -1.81 3.64 -1.23 0.00 -1.26 -4.92 105.19 98.23 3mcp n GLY 75 Ca 0.08 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3mcp n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mcp n PRO 76 N -3.67 0.82 -3.48 1.61 -0.04 -1.26 -4.79 135.00 124.19 3mcp n PRO 76 Ca 0.01 0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 3mcp n PRO 76 Cb 0.54 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 3mcp n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mcp s ALA 77 N -1.57 -1.69 -1.11 0.55 0.00 -1.26 -0.98 121.76 115.69 3mcp s ALA 77 Ca 0.77 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3mcp s ALA 77 Cb -0.38 0.67 0.15 0.00 0.00 0.00 0.00 23.12 23.55 3mcp s ALA 77 CO 0.46 -0.75 1.35 0.34 0.00 0.00 0.00 175.76 177.16 3mcp s ASP 78 N -2.64 6.89 0.24 0.00 -1.08 -0.32 -4.81 116.67 114.95 3mcp s ASP 78 Ca 0.03 -2.60 -0.07 0.00 -0.52 0.00 0.00 52.55 49.40 3mcp s ASP 78 Cb -0.01 -2.42 0.26 0.00 -1.46 0.00 0.00 42.92 39.29 3mcp s ASP 78 CO -0.10 -0.90 1.89 1.88 0.52 0.00 0.00 175.17 178.46 3mcp h TYR 79 N 7.82 1.08 -0.73 -5.34 0.05 -1.85 0.85 116.97 118.85 3mcp h TYR 79 Ca 0.27 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 3mcp h TYR 79 Cb 0.93 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 3mcp h TYR 79 CO 1.15 0.64 0.21 0.37 -1.05 0.00 0.00 178.16 179.47 3mcp h GLN 80 N 1.13 1.16 0.00 4.88 4.15 -1.90 -1.40 115.11 123.13 3mcp h GLN 80 Ca 0.35 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3mcp h GLN 80 Cb -0.03 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.50 3mcp h GLN 80 CO -0.11 1.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.79 3mcp h ALA 81 N 1.11 1.00 -0.92 3.38 0.00 -1.83 -3.48 119.26 118.52 3mcp h ALA 81 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 3mcp h ALA 81 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3mcp h ALA 81 CO -0.00 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.46 3mcp n GLY 82 N 0.99 0.36 3.25 0.00 0.00 0.25 -4.58 105.19 105.46 3mcp n GLY 82 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3mcp n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mcp s ILE 83 N -2.38 2.45 0.05 -0.61 -4.36 -0.99 0.11 121.20 115.47 3mcp s ILE 83 Ca 0.00 -0.85 -0.09 0.00 -0.26 0.00 0.00 60.65 59.44 3mcp s ILE 83 Cb 0.00 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 3mcp s ILE 83 CO 0.00 0.53 0.36 -0.63 0.24 0.00 0.00 174.94 175.45 3mcp s ILE 84 N 0.66 5.15 0.00 8.37 1.01 0.40 -1.18 121.20 135.61 3mcp s ILE 84 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3mcp s ILE 84 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3mcp s ILE 84 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3mcp n GLY 85 N 1.07 0.15 3.56 6.18 0.00 -0.15 -1.44 105.19 114.56 3mcp n GLY 85 Ca -0.10 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 3mcp n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mcp s ASP 86 N -1.00 5.88 0.26 1.61 1.11 -1.26 -4.73 116.67 118.54 3mcp s ASP 86 Ca 0.00 -0.87 -0.29 0.00 0.18 0.00 0.00 52.55 51.56 3mcp s ASP 86 Cb 0.00 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 3mcp s ASP 86 CO 0.00 -2.05 0.97 -0.76 1.18 0.00 0.00 175.17 174.51 3mcp s LEU 87 N 7.19 4.59 0.06 1.23 1.43 -1.26 -4.80 118.68 127.12 3mcp s LEU 87 Ca 0.55 2.00 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 3mcp s LEU 87 Cb -0.05 -3.66 -0.13 0.00 0.03 0.00 0.00 46.19 42.39 3mcp s LEU 87 CO -0.00 0.07 1.50 1.55 0.23 0.00 0.00 176.35 179.70 3mcp h PRO 88 N 3.96 0.24 0.00 1.29 0.13 -1.93 -3.16 132.00 132.53 3mcp h PRO 88 Ca -0.46 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3mcp h PRO 88 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3mcp h PRO 88 CO 0.67 0.45 0.00 0.27 -0.23 0.00 0.00 178.00 179.17 3mcp n ASN 89 N -4.79 0.00 -3.72 1.44 0.23 -1.26 -4.38 115.26 102.79 3mcp n ASN 89 Ca -0.05 -1.36 -0.30 0.00 -0.53 0.00 0.00 54.58 52.33 3mcp n ASN 89 Cb 0.20 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.76 3mcp n ASN 89 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3mcp s PHE 90 N -2.00 1.84 0.31 -2.53 0.40 -1.19 -4.93 117.98 109.88 3mcp s PHE 90 Ca 0.25 -2.07 0.15 0.00 -0.60 0.00 0.00 56.93 54.66 3mcp s PHE 90 Cb 0.11 -1.79 0.71 0.00 0.51 0.00 0.00 43.02 42.56 3mcp s PHE 90 CO 0.19 -0.84 1.79 -1.00 0.70 0.00 0.00 175.22 176.06 3mcp h PRO 91 N 7.43 0.00 -0.65 0.24 0.13 -1.76 -2.96 132.00 134.43 3mcp h PRO 91 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3mcp h PRO 91 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3mcp h PRO 91 CO 0.46 0.40 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 3mcp n SER 92 N -3.87 0.65 -0.23 1.44 3.41 -0.10 -3.46 113.62 111.47 3mcp n SER 92 Ca -0.01 -1.95 0.04 0.00 -0.26 0.00 0.00 58.87 56.69 3mcp n SER 92 Cb 0.46 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3mcp n SER 92 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3mcp n PHE 93 N -0.16 0.00 -1.80 7.33 3.01 -1.12 -4.45 117.46 120.26 3mcp n PHE 93 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3mcp n PHE 93 Cb 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 3mcp n PHE 93 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3mcp s ARG 94 N -1.19 4.16 0.00 -1.08 3.00 -1.22 -3.35 118.95 119.26 3mcp s ARG 94 Ca 0.08 2.52 0.00 0.00 0.00 0.00 0.00 55.73 58.33 3mcp s ARG 94 Cb 0.07 -3.10 0.00 0.00 0.00 0.00 0.00 34.95 31.92 3mcp s ARG 94 CO 0.21 -0.70 0.00 0.41 0.00 0.00 0.00 175.30 175.22 3mcp n GLY 95 N 3.87 3.44 0.00 -3.53 0.00 -1.26 -4.93 105.19 102.77 3mcp n GLY 95 Ca 0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3mcp n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcp n GLY 96 N 0.00 2.52 3.47 -0.02 0.00 -1.21 -5.01 105.19 104.94 3mcp n GLY 96 Ca 0.00 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3mcp n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcp s VAL 97 N 0.00 4.70 -1.27 1.61 1.01 -0.52 -4.91 120.40 121.02 3mcp s VAL 97 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 3mcp s VAL 97 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3mcp s VAL 97 CO 0.00 0.16 2.17 0.00 0.00 0.00 0.00 175.10 177.43 3mcp n ALA 98 N 4.99 5.00 -0.13 5.51 0.00 -1.26 -0.45 120.51 134.16 3mcp n ALA 98 Ca -0.14 -3.68 -0.11 0.00 0.00 0.00 0.00 53.44 49.50 3mcp n ALA 98 Cb 0.50 -3.55 -0.02 0.00 0.00 0.00 0.00 19.45 16.38 3mcp n ALA 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3mcp h LEU 99 N 10.90 0.75 0.43 0.00 5.85 -1.85 -2.22 115.31 129.16 3mcp h LEU 99 Ca 0.54 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3mcp h LEU 99 Cb 0.63 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3mcp h LEU 99 CO 1.90 0.93 -0.36 1.23 -0.34 0.00 0.00 178.44 181.80 3mcp h GLY 100 N 0.56 -1.08 0.82 3.75 0.00 0.51 -2.45 103.07 105.18 3mcp h GLY 100 Ca 0.10 0.48 0.10 0.00 0.00 0.00 0.00 47.33 48.01 3mcp h GLY 100 CO 0.04 -0.35 0.51 -2.55 0.00 0.00 0.00 176.54 174.19 3mcp h PRO 101 N -0.77 0.68 0.29 4.80 0.11 -1.75 -1.47 132.00 133.89 3mcp h PRO 101 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3mcp h PRO 101 Cb 0.64 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3mcp h PRO 101 CO -0.00 0.45 -0.29 0.35 -0.21 0.00 0.00 178.00 178.29 3mcp h PHE 102 N 0.70 -0.78 -0.44 0.65 3.57 -1.17 -0.38 116.94 119.09 3mcp h PHE 102 Ca 0.37 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 3mcp h PHE 102 Cb 0.49 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3mcp h PHE 102 CO -0.00 -0.42 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.58 3mcp h LEU 103 N -0.62 0.68 -1.85 0.59 3.38 -1.21 -2.16 115.31 114.13 3mcp h LEU 103 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3mcp h LEU 103 Cb 0.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3mcp h LEU 103 CO -0.06 0.76 -0.05 -0.08 0.09 0.00 0.00 178.44 179.09 3mcp h GLU 104 N 0.67 0.03 0.04 1.13 4.81 -0.86 -0.17 114.58 120.22 3mcp h GLU 104 Ca 0.13 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3mcp h GLU 104 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3mcp h GLU 104 CO 0.02 0.09 -0.02 0.22 -0.73 0.00 0.00 179.01 178.59 3mcp h ASP 105 N 0.03 -0.04 0.36 1.04 3.58 -0.63 0.20 116.42 120.95 3mcp h ASP 105 Ca 0.01 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.85 3mcp h ASP 105 Cb 0.12 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3mcp h ASP 105 CO 0.01 0.71 0.00 -0.38 -2.88 0.00 0.00 179.24 176.70 3mcp n ILE 106 N -4.74 0.92 0.00 2.25 5.41 -0.85 -3.41 119.36 118.94 3mcp n ILE 106 Ca -0.07 0.49 0.00 0.00 1.00 0.00 0.00 62.75 64.17 3mcp n ILE 106 Cb 0.31 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3mcp n ILE 106 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3mcp n PHE 107 N -2.27 0.00 0.00 1.39 3.72 -0.11 -5.05 117.46 115.14 3mcp n PHE 107 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3mcp n PHE 107 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3mcp n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mcp n GLY 108 N 1.38 1.82 3.68 1.37 0.00 0.06 -4.96 105.19 108.54 3mcp n GLY 108 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3mcp n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mcp s ILE 109 N 0.00 2.21 0.52 -0.61 -4.36 -1.26 -4.89 121.20 112.81 3mcp s ILE 109 Ca 0.00 0.07 -0.18 0.00 -0.26 0.00 0.00 60.65 60.28 3mcp s ILE 109 Cb 0.00 -2.15 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 3mcp s ILE 109 CO 0.00 -0.09 1.03 -2.16 0.24 0.00 0.00 174.94 173.96 3mcp s PRO 110 N -4.68 3.72 0.00 0.37 0.04 -1.26 -4.51 135.00 128.69 3mcp s PRO 110 Ca 0.66 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.98 3mcp s PRO 110 Cb -0.22 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3mcp s PRO 110 CO 0.58 -0.48 -0.20 0.14 0.04 0.00 0.00 177.00 177.08 3mcp s VAL 111 N -2.27 1.56 -0.10 -0.36 -7.23 -1.26 -2.17 120.40 108.58 3mcp s VAL 111 Ca 0.64 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.89 3mcp s VAL 111 Cb -0.14 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3mcp s VAL 111 CO 0.27 0.35 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.89 3mcp s PHE 112 N -0.57 1.94 -0.06 2.82 0.08 -0.32 -4.98 117.98 116.89 3mcp s PHE 112 Ca 0.07 -0.85 0.05 0.00 0.12 0.00 0.00 56.93 56.32 3mcp s PHE 112 Cb -0.08 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3mcp s PHE 112 CO 0.00 -0.42 -0.23 0.42 -0.10 0.00 0.00 175.22 174.89 3mcp s ILE 113 N 0.82 2.22 0.20 0.64 1.01 -1.26 -1.62 121.20 123.22 3mcp s ILE 113 Ca -0.10 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 3mcp s ILE 113 Cb -0.16 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3mcp s ILE 113 CO 0.01 0.57 0.25 0.20 0.00 0.00 0.00 174.94 175.97 3mcp s ASN 114 N -0.18 0.08 0.34 3.58 0.01 -0.96 -4.58 114.94 113.23 3mcp s ASN 114 Ca -0.03 -1.16 -0.03 0.00 -0.71 0.00 0.00 52.86 50.93 3mcp s ASN 114 Cb -0.14 0.44 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 3mcp s ASN 114 CO 0.04 -0.93 0.59 0.54 -1.51 0.00 0.00 177.10 175.83 3mcp s ASN 115 N -3.08 6.37 0.18 -1.22 2.20 -1.26 -0.60 114.94 117.53 3mcp s ASN 115 Ca 0.30 0.66 -0.22 0.00 -0.94 0.00 0.00 52.86 52.65 3mcp s ASN 115 Cb 0.04 -2.12 0.09 0.00 -2.00 0.00 0.00 41.25 37.26 3mcp s ASN 115 CO 0.09 -0.29 1.58 0.44 -2.94 0.00 0.00 177.10 175.98 3mcp h ASP 116 N 1.14 -1.24 -0.87 3.54 5.19 -1.94 -2.21 116.42 120.03 3mcp h ASP 116 Ca -0.48 0.23 0.15 0.00 -0.62 0.00 0.00 57.03 56.31 3mcp h ASP 116 Cb 1.20 0.60 -0.10 0.00 0.18 0.00 0.00 39.33 41.21 3mcp h ASP 116 CO 0.64 -0.32 0.46 1.23 -3.12 0.00 0.00 179.24 178.13 3mcp h GLY 117 N -0.19 1.44 0.78 2.75 0.00 -1.94 -1.27 103.07 104.64 3mcp h GLY 117 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3mcp h GLY 117 CO -0.67 -0.05 -0.19 1.76 0.00 0.00 0.00 176.54 177.40 3mcp h SER 118 N 0.64 -0.44 -0.38 0.19 0.02 -1.56 -2.56 113.55 109.46 3mcp h SER 118 Ca 0.48 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 3mcp h SER 118 Cb 0.70 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3mcp h SER 118 CO -0.37 -0.14 0.26 -0.07 -1.14 0.00 0.00 176.83 175.36 3mcp h LEU 119 N -0.75 0.25 -0.05 5.07 3.38 -1.23 -0.90 115.31 121.08 3mcp h LEU 119 Ca -0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3mcp h LEU 119 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3mcp h LEU 119 CO 0.09 0.17 -0.01 0.15 0.09 0.00 0.00 178.44 178.93 3mcp h PHE 120 N 0.29 0.10 -0.47 1.13 3.57 -1.14 0.50 116.94 120.92 3mcp h PHE 120 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3mcp h PHE 120 Cb 0.28 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3mcp h PHE 120 CO -0.00 0.40 0.22 0.00 -2.23 0.00 0.00 178.31 176.70 3mcp h ALA 121 N 0.68 0.61 -0.19 2.41 0.00 -1.03 -1.56 119.26 120.19 3mcp h ALA 121 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mcp h ALA 121 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mcp h ALA 121 CO 0.00 0.19 0.12 -0.92 0.00 0.00 0.00 179.25 178.64 3mcp h TYR 122 N 0.62 0.23 -0.31 0.00 3.20 -1.15 0.02 116.97 119.58 3mcp h TYR 122 Ca 0.16 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.10 3mcp h TYR 122 Cb 0.14 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 3mcp h TYR 122 CO -0.00 0.15 -0.12 0.78 -1.64 0.00 0.00 178.16 177.33 3mcp h GLY 123 N 0.25 0.16 2.00 1.82 0.00 -0.68 -1.86 103.07 104.76 3mcp h GLY 123 Ca 0.07 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3mcp h GLY 123 CO -0.02 -0.15 -0.23 0.83 0.00 0.00 0.00 176.54 176.98 3mcp h GLU 124 N -0.05 0.00 -0.01 4.80 4.39 -0.88 0.39 114.58 123.22 3mcp h GLU 124 Ca 0.16 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 3mcp h GLU 124 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3mcp h GLU 124 CO -0.35 0.23 -0.82 0.00 -1.16 0.00 0.00 179.01 176.91 3mcp h ALA 125 N 1.77 0.60 0.00 3.43 0.00 -0.19 -2.20 119.26 122.66 3mcp h ALA 125 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3mcp h ALA 125 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mcp h ALA 125 CO 0.03 0.89 -1.11 1.28 0.00 0.00 0.00 179.25 180.35 3mcp n LEU 126 N -3.69 0.02 0.00 0.00 4.77 -0.94 -4.29 117.00 112.87 3mcp n LEU 126 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3mcp n LEU 126 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3mcp n LEU 126 CO 0.47 0.00 -0.49 0.41 -1.33 0.00 0.00 177.39 176.45 3mcp n THR 127 N -1.60 0.00 0.00 -5.08 -1.04 0.13 -4.90 114.28 101.79 3mcp n THR 127 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3mcp n THR 127 Cb 0.11 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3mcp n THR 127 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mcp n GLY 128 N 3.32 0.63 0.28 3.41 0.00 -0.81 -4.92 105.19 107.11 3mcp n GLY 128 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3mcp n GLY 128 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mcp h VAL 129 N 0.00 1.27 -0.60 1.61 -1.51 -1.84 -3.30 116.25 111.87 3mcp h VAL 129 Ca 0.00 -1.43 0.09 0.00 -1.23 0.00 0.00 66.70 64.13 3mcp h VAL 129 Cb 0.00 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 30.27 3mcp h VAL 129 CO 0.00 0.49 0.23 0.25 -1.23 0.00 0.00 177.57 177.31 3mcp h LEU 130 N 0.85 0.23 -0.57 4.19 5.85 -1.66 0.15 115.31 124.34 3mcp h LEU 130 Ca 0.10 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3mcp h LEU 130 Cb 0.84 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3mcp h LEU 130 CO 0.07 0.14 0.15 -0.65 -0.34 0.00 0.00 178.44 177.82 3mcp h PRO 131 N 0.41 0.91 -0.25 5.25 0.11 -1.75 -1.93 132.00 134.75 3mcp h PRO 131 Ca 0.30 -0.21 0.05 0.00 0.11 0.00 0.00 66.00 66.25 3mcp h PRO 131 Cb 0.36 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3mcp h PRO 131 CO -0.30 0.84 -0.03 0.93 -0.21 0.00 0.00 178.00 179.23 3mcp h GLU 132 N 0.82 0.04 -0.20 1.05 5.08 -1.17 -2.05 114.58 118.15 3mcp h GLU 132 Ca 0.18 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3mcp h GLU 132 Cb 0.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3mcp h GLU 132 CO -0.00 0.03 0.03 0.82 -1.00 0.00 0.00 179.01 178.89 3mcp h ILE 133 N 0.04 0.90 -0.56 3.13 1.08 -0.66 -1.11 117.51 120.34 3mcp h ILE 133 Ca 0.12 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 3mcp h ILE 133 Cb 0.17 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3mcp h ILE 133 CO -0.22 0.02 0.14 0.78 -0.69 0.00 0.00 178.15 178.17 3mcp h ASN 134 N 0.11 0.80 -0.21 1.72 2.35 -1.12 -0.72 115.58 118.50 3mcp h ASN 134 Ca 0.09 -0.14 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 3mcp h ASN 134 Cb 0.09 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3mcp h ASN 134 CO -0.13 0.78 -0.55 0.08 -1.65 0.00 0.00 177.43 175.97 3mcp h ARG 135 N 0.83 0.75 0.00 0.81 0.11 -1.17 -2.09 114.38 113.61 3mcp h ARG 135 Ca 0.18 -0.52 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 3mcp h ARG 135 Cb 0.30 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 3mcp h ARG 135 CO -0.00 1.14 -0.05 -0.09 0.10 0.00 0.00 179.97 181.07 3mcp h ARG 136 N 0.47 0.00 0.35 0.08 2.43 -0.77 0.93 114.38 117.87 3mcp h ARG 136 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3mcp h ARG 136 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3mcp h ARG 136 CO 0.12 0.05 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.39 3mcp h LEU 137 N 0.00 -0.40 -0.54 3.80 3.38 -0.94 -2.03 115.31 118.58 3mcp h LEU 137 Ca -0.00 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.02 3mcp h LEU 137 Cb 0.11 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3mcp h LEU 137 CO 0.01 0.06 0.02 0.03 0.09 0.00 0.00 178.44 178.65 3mcp h ARG 138 N -1.08 0.14 -0.97 1.13 3.08 -0.51 0.22 114.38 116.39 3mcp h ARG 138 Ca -0.05 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.12 3mcp h ARG 138 Cb 0.43 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 3mcp h ARG 138 CO 0.08 0.09 0.59 1.49 -1.07 0.00 0.00 179.97 181.15 3mcp h GLU 139 N 0.14 0.89 0.00 0.04 4.81 0.73 0.28 114.58 121.47 3mcp h GLU 139 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3mcp h GLU 139 Cb 0.42 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3mcp h GLU 139 CO -0.43 0.59 0.00 0.00 -0.73 0.00 0.00 179.01 178.44 3mcp n ALA 140 N -2.36 2.45 -0.89 2.92 0.00 0.67 -4.87 120.51 118.42 3mcp n ALA 140 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3mcp n ALA 140 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3mcp n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mcp n GLY 141 N 0.61 0.46 3.85 0.00 0.00 1.00 -4.94 105.19 106.16 3mcp n GLY 141 Ca 0.19 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3mcp n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mcp s SER 142 N -2.78 6.76 0.05 1.61 0.15 -0.69 -4.98 113.70 113.81 3mcp s SER 142 Ca 0.00 0.97 0.26 0.00 0.70 0.00 0.00 55.95 57.88 3mcp s SER 142 Cb 0.00 -2.25 0.64 0.00 -1.71 0.00 0.00 66.02 62.70 3mcp s SER 142 CO 0.00 0.12 1.52 0.35 1.20 0.00 0.00 173.24 176.44 3mcp n THR 143 N 0.82 0.14 -2.72 6.45 -2.24 -1.26 -4.01 114.28 111.45 3mcp n THR 143 Ca -0.06 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3mcp n THR 143 Cb 0.52 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3mcp n THR 143 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mcp s LYS 144 N -3.05 4.70 -0.04 -0.78 2.20 -1.26 -5.06 119.74 116.45 3mcp s LYS 144 Ca 0.10 1.46 0.02 0.00 -0.36 0.00 0.00 55.97 57.19 3mcp s LYS 144 Cb 0.16 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.12 3mcp s LYS 144 CO 0.66 0.21 -0.09 -0.98 -0.36 0.00 0.00 175.35 174.80 3mcp s ARG 145 N -0.01 1.06 -0.18 4.03 1.04 -1.26 -4.74 118.95 118.90 3mcp s ARG 145 Ca 0.47 -0.28 -0.13 0.00 -1.04 0.00 0.00 55.73 54.76 3mcp s ARG 145 Cb -0.23 -0.97 -0.05 0.00 -2.04 0.00 0.00 34.95 31.65 3mcp s ARG 145 CO 0.30 0.05 0.24 0.71 -0.04 0.00 0.00 175.30 176.56 3mcp s TYR 146 N 0.44 3.43 -0.14 5.89 1.51 -1.26 -4.97 117.35 122.26 3mcp s TYR 146 Ca -0.07 0.50 0.07 0.00 -1.01 0.00 0.00 57.07 56.56 3mcp s TYR 146 Cb -0.11 -2.29 -0.10 0.00 -0.11 0.00 0.00 41.96 39.35 3mcp s TYR 146 CO 0.01 0.23 0.22 1.63 -1.11 0.00 0.00 175.55 176.53 3mcp n LYS 147 N 3.64 2.02 -4.02 -0.62 5.02 -1.26 -4.96 118.16 117.98 3mcp n LYS 147 Ca -0.13 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.77 3mcp n LYS 147 Cb 0.52 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 34.39 3mcp n LYS 147 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3mcp s ASN 148 N -2.36 5.40 -0.04 4.39 0.01 -1.26 -0.56 114.94 120.52 3mcp s ASN 148 Ca -0.01 -0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 3mcp s ASN 148 Cb 0.05 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.78 3mcp s ASN 148 CO 0.30 0.13 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.67 3mcp s LEU 149 N 0.63 1.81 -0.33 0.60 2.96 -0.25 -0.75 118.68 123.35 3mcp s LEU 149 Ca 0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3mcp s LEU 149 Cb -0.13 -0.76 0.08 0.00 0.50 0.00 0.00 46.19 45.88 3mcp s LEU 149 CO 0.02 0.09 0.04 -0.22 -1.32 0.00 0.00 176.35 174.96 3mcp s LEU 150 N 0.22 4.31 -0.17 -0.68 2.96 -0.08 -0.99 118.68 124.24 3mcp s LEU 150 Ca -0.05 -1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 52.12 3mcp s LEU 150 Cb -0.11 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3mcp s LEU 150 CO 0.02 -0.34 0.13 -0.83 -1.32 0.00 0.00 176.35 174.01 3mcp s GLY 151 N 1.29 2.08 -0.03 7.98 0.00 -0.32 -1.23 107.32 117.09 3mcp s GLY 151 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3mcp s GLY 151 CO -0.04 -0.07 -0.07 -1.34 0.00 0.00 0.00 173.10 171.58 3mcp s VAL 152 N -0.19 0.66 -0.28 1.40 -7.23 0.22 -0.30 120.40 114.68 3mcp s VAL 152 Ca 0.11 -0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.89 3mcp s VAL 152 Cb -0.11 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 3mcp s VAL 152 CO 0.00 0.22 0.16 0.42 -0.31 0.00 0.00 175.10 175.60 3mcp s THR 153 N 0.29 4.99 -0.42 5.32 -4.23 -0.12 -1.41 115.64 120.06 3mcp s THR 153 Ca -0.04 -0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 3mcp s THR 153 Cb -0.09 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.36 3mcp s THR 153 CO 0.00 0.22 0.59 -0.76 -0.54 0.00 0.00 174.62 174.13 3mcp s LEU 154 N 1.70 4.53 0.00 4.79 1.43 0.13 -2.43 118.68 128.84 3mcp s LEU 154 Ca 0.06 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3mcp s LEU 154 Cb -0.16 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3mcp s LEU 154 CO 0.09 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.58 3mcp n GLY 155 N 5.00 2.38 0.45 -3.19 0.00 -1.26 -1.68 105.19 106.89 3mcp n GLY 155 Ca -0.03 0.03 0.30 0.00 0.00 0.00 0.00 46.02 46.32 3mcp n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcp h THR 156 N 0.00 0.36 -1.80 2.61 1.03 -1.96 -2.40 112.91 110.75 3mcp h THR 156 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 3mcp h THR 156 Cb 0.00 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.19 3mcp h THR 156 CO 0.00 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.16 3mcp n GLY 157 N -1.54 5.28 2.41 2.99 0.00 -1.26 -4.49 105.19 108.58 3mcp n GLY 157 Ca 0.30 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 3mcp n GLY 157 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mcp n PHE 158 N 0.00 3.38 -1.79 1.61 7.35 -1.26 -4.47 117.46 122.28 3mcp n PHE 158 Ca 0.00 -4.12 -0.30 0.00 -0.76 0.00 0.00 57.45 52.27 3mcp n PHE 158 Cb 0.00 -0.55 0.05 0.00 0.35 0.00 0.00 39.48 39.33 3mcp n PHE 158 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3mcp s GLY 159 N -2.38 1.64 -0.00 7.13 0.00 -1.02 -3.71 107.32 108.97 3mcp s GLY 159 Ca 0.39 -0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 3mcp s GLY 159 CO -0.02 0.13 0.84 0.00 0.00 0.00 0.00 173.10 174.05 3mcp s ALA 160 N -3.26 -1.80 0.03 3.20 0.00 -1.26 -0.94 121.76 117.73 3mcp s ALA 160 Ca 0.58 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 3mcp s ALA 160 Cb -0.12 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 3mcp s ALA 160 CO 0.53 -0.62 0.14 0.20 0.00 0.00 0.00 175.76 176.00 3mcp s GLY 161 N -2.24 0.11 -0.07 0.00 0.00 0.58 -4.13 107.32 101.58 3mcp s GLY 161 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.36 3mcp s GLY 161 CO -0.07 -0.55 -0.10 0.14 0.00 0.00 0.00 173.10 172.52 3mcp s VAL 162 N -2.42 1.00 -0.15 1.40 1.01 -1.26 -1.18 120.40 118.80 3mcp s VAL 162 Ca -0.06 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3mcp s VAL 162 Cb -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3mcp s VAL 162 CO -0.03 0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 174.54 3mcp s VAL 163 N 0.91 2.52 -0.37 2.92 1.01 -0.17 -0.03 120.40 127.20 3mcp s VAL 163 Ca -0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 3mcp s VAL 163 Cb -0.15 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.24 3mcp s VAL 163 CO 0.01 0.52 0.16 -0.63 0.00 0.00 0.00 175.10 175.16 3mcp s ILE 164 N 0.83 3.75 -1.15 2.22 -1.09 -0.11 -1.09 121.20 124.56 3mcp s ILE 164 Ca -0.05 -1.41 -0.26 0.00 -2.23 0.00 0.00 60.65 56.70 3mcp s ILE 164 Cb -0.15 -3.26 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3mcp s ILE 164 CO -0.01 -0.37 0.48 -0.67 -1.23 0.00 0.00 174.94 173.15 3mcp n ASP 165 N 4.79 -2.73 0.00 3.58 2.03 0.28 -0.63 116.55 123.86 3mcp n ASP 165 Ca -0.10 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.04 3mcp n ASP 165 Cb 0.43 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3mcp n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mcp n GLY 166 N -2.08 3.20 3.54 0.27 0.00 -1.26 -5.00 105.19 103.85 3mcp n GLY 166 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3mcp n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mcp s GLU 167 N -0.43 3.46 0.13 1.61 0.41 0.19 -5.03 118.70 119.04 3mcp s GLU 167 Ca 0.00 -0.33 -0.31 0.00 -0.41 0.00 0.00 54.97 53.92 3mcp s GLU 167 Cb 0.00 -3.86 -0.10 0.00 -1.78 0.00 0.00 34.13 28.38 3mcp s GLU 167 CO 0.00 -0.74 1.77 -1.17 -0.49 0.00 0.00 175.26 174.63 3mcp s LEU 168 N 2.39 4.39 -1.00 1.80 2.96 -1.26 -0.94 118.68 127.02 3mcp s LEU 168 Ca 0.18 2.73 -0.23 0.00 -0.22 0.00 0.00 54.13 56.59 3mcp s LEU 168 Cb -0.16 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3mcp s LEU 168 CO 0.14 -0.97 1.43 -0.22 -1.32 0.00 0.00 176.35 175.41 3mcp s LEU 169 N 2.33 3.49 0.05 -0.68 0.20 0.96 -4.83 118.68 120.19 3mcp s LEU 169 Ca 0.78 -1.37 -0.19 0.00 0.69 0.00 0.00 54.13 54.04 3mcp s LEU 169 Cb -0.46 -2.57 -0.15 0.00 -0.43 0.00 0.00 46.19 42.59 3mcp s LEU 169 CO 0.35 -1.53 1.30 0.03 -0.29 0.00 0.00 176.35 176.20 3mcp h ARG 170 N 9.81 0.46 0.00 1.98 3.08 -1.90 -3.38 114.38 124.43 3mcp h ARG 170 Ca 0.16 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3mcp h ARG 170 Cb 1.01 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3mcp h ARG 170 CO 1.42 0.90 0.00 0.41 -1.07 0.00 0.00 179.97 181.62 3mcp n GLY 171 N 0.41 -0.50 0.01 0.04 0.00 -1.26 -0.61 105.19 103.27 3mcp n GLY 171 Ca -0.07 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.49 3mcp n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mcp n ASP 172 N -0.97 0.05 -0.38 1.61 8.00 -1.26 -2.52 116.55 121.08 3mcp n ASP 172 Ca 0.00 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.08 3mcp n ASP 172 Cb 0.00 -0.52 0.16 0.00 -0.02 0.00 0.00 41.12 40.74 3mcp n ASP 172 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mcp n ASN 173 N -1.55 1.89 -3.63 -2.24 4.13 -1.26 -4.94 115.26 107.66 3mcp n ASN 173 Ca 0.05 -3.32 -0.27 0.00 1.68 0.00 0.00 54.58 52.72 3mcp n ASN 173 Cb 0.27 -0.45 0.01 0.00 -1.54 0.00 0.00 39.78 38.07 3mcp n ASN 173 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mcp n ALA 174 N -1.13 -1.16 -2.14 5.41 0.00 -1.05 -4.85 120.51 115.59 3mcp n ALA 174 Ca 0.16 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.80 3mcp n ALA 174 Cb 0.69 -3.81 0.07 0.00 0.00 0.00 0.00 19.45 16.40 3mcp n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcp n ALA 175 N -4.13 2.58 -1.74 0.00 0.00 -1.02 -4.89 120.51 111.31 3mcp n ALA 175 Ca 0.01 -2.36 -0.35 0.00 0.00 0.00 0.00 53.44 50.75 3mcp n ALA 175 Cb 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3mcp n ALA 175 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mcp s GLY 176 N -2.16 2.54 -1.13 0.00 0.00 0.22 -3.77 107.32 103.02 3mcp s GLY 176 Ca 0.29 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.76 3mcp s GLY 176 CO -0.11 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.70 3mcp n GLY 177 N -0.01 1.18 3.73 0.20 0.00 -1.26 -4.82 105.19 104.21 3mcp n GLY 177 Ca 0.11 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3mcp n GLY 177 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mcp s TYR 178 N -2.35 3.34 0.00 1.61 2.02 -1.25 -4.19 117.35 116.53 3mcp s TYR 178 Ca 0.00 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 3mcp s TYR 178 Cb 0.00 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 3mcp s TYR 178 CO 0.00 -1.59 0.04 1.33 -1.57 0.00 0.00 175.55 173.76 3mcp n VAL 179 N 2.81 0.00 0.20 0.71 0.24 -1.26 -4.82 118.33 116.21 3mcp n VAL 179 Ca 0.06 -0.33 0.05 0.00 -2.04 0.00 0.00 64.34 62.08 3mcp n VAL 179 Cb 0.44 1.04 0.42 0.00 -1.47 0.00 0.00 33.84 34.27 3mcp n VAL 179 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3mcp h TRP 180 N 0.00 0.00 -0.61 6.34 5.08 -1.91 -3.08 115.95 121.78 3mcp h TRP 180 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3mcp h TRP 180 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3mcp h TRP 180 CO 0.00 0.33 0.00 0.00 -1.28 0.00 0.00 178.44 177.49 3mcp s LEU 182 N -1.74 2.76 0.26 0.00 1.43 -1.17 -4.77 118.68 115.45 3mcp s LEU 182 Ca 0.48 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.08 3mcp s LEU 182 Cb 0.30 -4.35 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 3mcp s LEU 182 CO 0.24 -2.41 1.32 -0.60 0.23 0.00 0.00 176.35 175.13 3mcp s ARG 183 N -4.86 4.37 0.07 1.70 3.52 -1.26 -1.23 118.95 121.26 3mcp s ARG 183 Ca 0.63 2.15 -0.30 0.00 -0.13 0.00 0.00 55.73 58.08 3mcp s ARG 183 Cb -0.18 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3mcp s ARG 183 CO 0.57 -0.23 1.00 1.21 -0.81 0.00 0.00 175.30 177.04 3mcp s ASN 184 N -0.05 7.39 0.02 -2.12 3.84 -0.69 -4.52 114.94 118.82 3mcp s ASN 184 Ca 0.53 1.79 -0.25 0.00 0.21 0.00 0.00 52.86 55.14 3mcp s ASN 184 Cb -0.38 -2.58 -0.17 0.00 -0.55 0.00 0.00 41.25 37.56 3mcp s ASN 184 CO 0.45 -0.19 1.39 0.50 -2.79 0.00 0.00 177.10 176.46 3mcp h LYS 185 N 6.09 -0.23 -0.17 0.43 3.64 -1.94 -2.94 116.57 121.45 3mcp h LYS 185 Ca -0.42 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3mcp h LYS 185 Cb 1.21 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3mcp h LYS 185 CO 0.74 0.06 0.00 1.63 -2.27 0.00 0.00 179.45 179.61 3mcp n LYS 186 N -5.07 1.76 -3.00 1.90 5.02 -1.26 -4.32 118.16 113.20 3mcp n LYS 186 Ca -0.09 -1.14 -0.14 0.00 -2.02 0.00 0.00 58.31 54.92 3mcp n LYS 186 Cb 0.21 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 3mcp n LYS 186 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3mcp n TYR 187 N 0.37 -0.93 -0.61 2.13 4.01 -1.21 -5.02 117.16 115.90 3mcp n TYR 187 Ca 0.16 -3.15 0.46 0.00 -0.16 0.00 0.00 57.90 55.22 3mcp n TYR 187 Cb 0.34 0.35 0.73 0.00 -0.31 0.00 0.00 39.34 40.45 3mcp n TYR 187 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3mcp n PRO 188 N 0.28 -0.01 0.03 -0.72 -0.02 -1.11 0.83 135.00 134.28 3mcp n PRO 188 Ca 0.17 1.03 0.13 0.00 -2.02 0.00 0.00 63.50 62.81 3mcp n PRO 188 Cb 0.68 -2.29 0.54 0.00 -0.02 0.00 0.00 33.50 32.41 3mcp n PRO 188 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mcp n GLU 189 N -3.93 0.08 -4.43 -0.52 4.71 -1.26 -4.64 120.64 110.64 3mcp n GLU 189 Ca 0.40 0.08 -0.28 0.00 -0.01 0.00 0.00 57.16 57.35 3mcp n GLU 189 Cb 1.77 -1.60 -0.08 0.00 -1.01 0.00 0.00 31.44 30.52 3mcp n GLU 189 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3mcp s TYR 190 N -3.04 2.26 0.48 -0.32 1.51 0.24 -5.05 117.35 113.44 3mcp s TYR 190 Ca 0.13 -0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 3mcp s TYR 190 Cb 0.16 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3mcp s TYR 190 CO 0.53 0.20 0.74 0.96 -1.11 0.00 0.00 175.55 176.88 3mcp s ILE 191 N -2.73 4.10 0.38 2.71 -4.36 -1.26 -1.71 121.20 118.33 3mcp s ILE 191 Ca 0.28 -0.28 0.15 0.00 -0.26 0.00 0.00 60.65 60.54 3mcp s ILE 191 Cb 0.04 -3.55 0.13 0.00 1.25 0.00 0.00 42.46 40.34 3mcp s ILE 191 CO 0.15 -0.45 1.88 -0.37 0.24 0.00 0.00 174.94 176.40 3mcp h VAL 192 N 0.25 1.14 -0.06 8.37 -1.51 -1.21 -2.74 116.25 120.50 3mcp h VAL 192 Ca -0.46 -1.08 0.02 0.00 -1.23 0.00 0.00 66.70 63.94 3mcp h VAL 192 Cb 1.25 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 3mcp h VAL 192 CO 0.59 0.30 0.06 -0.08 -1.23 0.00 0.00 177.57 177.21 3mcp h GLU 193 N 0.00 0.00 0.00 5.19 4.81 -1.76 0.09 114.58 122.91 3mcp h GLU 193 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3mcp h GLU 193 Cb 0.57 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3mcp h GLU 193 CO 0.04 0.00 -0.10 1.49 -0.73 0.00 0.00 179.01 179.71 3mcp h GLU 194 N 0.00 0.00 -0.04 1.92 4.57 -1.79 -2.48 114.58 116.76 3mcp h GLU 194 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3mcp h GLU 194 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3mcp h GLU 194 CO -0.00 0.10 0.00 0.45 -1.18 0.00 0.00 179.01 178.38 3mcp n SER 195 N -3.39 1.66 -3.62 1.04 2.88 -0.12 -4.38 113.62 107.69 3mcp n SER 195 Ca -0.01 -1.39 -0.28 0.00 -1.33 0.00 0.00 58.87 55.86 3mcp n SER 195 Cb 0.28 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.60 3mcp n SER 195 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3mcp s VAL 196 N -0.56 1.19 0.00 2.46 1.01 -0.40 -4.38 120.40 119.72 3mcp s VAL 196 Ca 0.07 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.25 3mcp s VAL 196 Cb 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3mcp s VAL 196 CO 0.07 -1.03 0.00 -1.54 0.00 0.00 0.00 175.10 172.59 3mcp n SER 197 N 3.09 0.00 0.00 3.32 3.41 -1.25 -4.07 113.62 118.12 3mcp n SER 197 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.85 3mcp n SER 197 Cb 0.39 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.81 3mcp n SER 197 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3mcp h ILE 198 N 0.09 1.04 -0.07 -1.33 2.04 -1.65 -2.15 117.51 115.48 3mcp h ILE 198 Ca 0.00 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3mcp h ILE 198 Cb 0.00 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3mcp h ILE 198 CO 0.00 0.08 -0.02 0.03 0.00 0.00 0.00 178.15 178.24 3mcp h ARG 199 N 0.46 -0.01 -0.56 2.37 3.08 -1.88 -3.02 114.38 114.84 3mcp h ARG 199 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3mcp h ARG 199 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3mcp h ARG 199 CO -0.04 -0.00 0.17 0.00 -1.07 0.00 0.00 179.97 179.02 3mcp h ALA 200 N 1.07 1.25 0.00 0.04 0.00 -1.60 0.73 119.26 120.75 3mcp h ALA 200 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3mcp h ALA 200 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mcp h ALA 200 CO -0.08 0.53 0.00 0.28 0.00 0.00 0.00 179.25 179.98 3mcp n VAL 201 N -4.29 0.00 0.00 0.00 0.31 -1.07 -1.56 118.33 111.72 3mcp n VAL 201 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3mcp n VAL 201 Cb 0.20 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 3mcp n VAL 201 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3mcp n ARG 203 N -0.08 0.00 -0.04 5.55 0.63 0.25 -2.38 116.66 120.59 3mcp n ARG 203 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 3mcp n ARG 203 Cb 0.03 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.89 3mcp n ARG 203 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3mcp h VAL 204 N 0.00 1.13 -0.90 5.15 2.07 -1.50 -1.88 116.25 120.32 3mcp h VAL 204 Ca 0.00 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.22 3mcp h VAL 204 Cb 0.00 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3mcp h VAL 204 CO 0.00 0.12 0.58 0.22 0.02 0.00 0.00 177.57 178.52 3mcp h TYR 205 N 0.16 1.01 -0.40 1.57 3.20 -1.71 0.34 116.97 121.14 3mcp h TYR 205 Ca 0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3mcp h TYR 205 Cb 0.12 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3mcp h TYR 205 CO -0.03 0.51 0.06 0.00 -1.64 0.00 0.00 178.16 177.06 3mcp h ALA 206 N 1.53 1.35 0.09 1.82 0.00 -1.69 -1.34 119.26 121.02 3mcp h ALA 206 Ca 0.40 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3mcp h ALA 206 Cb 0.28 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3mcp h ALA 206 CO -0.16 0.45 -0.67 0.93 0.00 0.00 0.00 179.25 179.81 3mcp h GLU 207 N 0.59 0.30 -0.31 0.00 5.08 -0.08 -3.36 114.58 116.80 3mcp h GLU 207 Ca 0.13 -0.44 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 3mcp h GLU 207 Cb 0.29 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3mcp h GLU 207 CO 0.00 1.17 -0.37 0.00 -1.00 0.00 0.00 179.01 178.82 3mcp h ARG 208 N -0.35 0.72 -6.79 2.33 2.47 -0.41 -3.43 114.38 108.93 3mcp h ARG 208 Ca -0.11 -0.36 -0.49 0.00 -1.26 0.00 0.00 59.98 57.76 3mcp h ARG 208 Cb 1.48 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.84 3mcp h ARG 208 CO 0.13 0.97 -0.03 -1.54 0.56 0.00 0.00 179.97 180.06 3mcp s SER 209 N -6.83 4.82 -0.22 7.04 1.04 -0.51 -4.88 113.70 114.16 3mcp s SER 209 Ca -0.09 -0.79 0.15 0.00 0.48 0.00 0.00 55.95 55.70 3mcp s SER 209 Cb 0.12 0.35 0.66 0.00 0.10 0.00 0.00 66.02 67.25 3mcp s SER 209 CO 0.84 -1.56 1.58 0.61 0.98 0.00 0.00 173.24 175.70 3mcp n GLY 210 N -2.45 3.67 3.57 7.32 0.00 -1.26 -4.70 105.19 111.34 3mcp n GLY 210 Ca 0.17 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 3mcp n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mcp s ASP 211 N -1.47 6.45 0.00 1.61 2.15 -1.26 -4.91 116.67 119.24 3mcp s ASP 211 Ca 0.48 0.15 0.18 0.00 0.43 0.00 0.00 52.55 53.79 3mcp s ASP 211 Cb 0.38 -2.35 0.50 0.00 -0.30 0.00 0.00 42.92 41.15 3mcp s ASP 211 CO 0.11 -0.66 1.42 0.00 -0.17 0.00 0.00 175.17 175.87 3mcp n ALA 212 N 6.19 2.42 -2.02 3.66 0.00 -1.26 -4.48 120.51 125.01 3mcp n ALA 212 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 53.44 52.17 3mcp n ALA 212 Cb 0.48 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 3mcp n ALA 212 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mcp s GLY 213 N -1.06 2.19 -0.31 0.00 0.00 -1.26 -5.00 107.32 101.89 3mcp s GLY 213 Ca 0.37 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 3mcp s GLY 213 CO 0.26 0.32 1.53 0.00 0.00 0.00 0.00 173.10 175.20 3mcp s ALA 214 N -2.26 3.15 -0.03 3.20 0.00 -1.26 -5.00 121.76 119.56 3mcp s ALA 214 Ca 0.56 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3mcp s ALA 214 Cb -0.10 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 3mcp s ALA 214 CO 0.23 -2.17 -0.21 1.03 0.00 0.00 0.00 175.76 174.65 3mcp s ARG 215 N 4.83 2.27 0.31 0.00 3.00 -1.26 -5.13 118.95 122.97 3mcp s ARG 215 Ca 0.67 -0.84 -0.12 0.00 0.00 0.00 0.00 55.73 55.44 3mcp s ARG 215 Cb -0.20 -2.19 -0.08 0.00 0.00 0.00 0.00 34.95 32.48 3mcp s ARG 215 CO 0.30 0.59 0.68 0.95 0.00 0.00 0.00 175.30 177.82 3mcp s THR 216 N -0.69 4.78 0.34 0.02 -4.23 -1.26 -4.92 115.64 109.69 3mcp s THR 216 Ca 0.11 0.71 0.08 0.00 -1.18 0.00 0.00 61.69 61.41 3mcp s THR 216 Cb -0.10 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.41 3mcp s THR 216 CO 0.00 -0.23 1.84 1.55 -0.54 0.00 0.00 174.62 177.24 3mcp h PRO 217 N 2.09 0.70 -0.02 3.99 0.13 -1.98 0.92 132.00 137.83 3mcp h PRO 217 Ca -0.47 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3mcp h PRO 217 Cb 1.18 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 3mcp h PRO 217 CO 0.66 0.46 -0.19 -0.22 -0.23 0.00 0.00 178.00 178.49 3mcp h LYS 218 N 0.72 -0.28 -0.89 0.86 3.11 -1.98 0.54 116.57 118.64 3mcp h LYS 218 Ca 0.49 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 58.44 3mcp h LYS 218 Cb 0.77 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.99 3mcp h LYS 218 CO -0.25 -0.19 0.54 0.93 -2.81 0.00 0.00 179.45 177.68 3mcp h GLU 219 N -0.29 0.88 -0.59 1.90 5.08 -1.29 0.26 114.58 120.53 3mcp h GLU 219 Ca 0.06 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3mcp h GLU 219 Cb 0.38 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mcp h GLU 219 CO -0.19 0.58 0.01 0.82 -1.00 0.00 0.00 179.01 179.24 3mcp h ILE 220 N 0.91 1.26 -0.59 3.13 2.04 -0.38 -0.62 117.51 123.26 3mcp h ILE 220 Ca 0.42 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3mcp h ILE 220 Cb 0.35 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3mcp h ILE 220 CO -0.23 0.41 0.34 0.15 0.00 0.00 0.00 178.15 178.81 3mcp h PHE 221 N 0.93 0.81 -0.68 1.37 3.57 0.16 -1.35 116.94 121.75 3mcp h PHE 221 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3mcp h PHE 221 Cb 0.54 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3mcp h PHE 221 CO 0.04 0.58 0.35 0.93 -2.23 0.00 0.00 178.31 177.97 3mcp h GLU 222 N 0.80 0.95 -0.44 1.11 5.08 -0.11 0.24 114.58 122.21 3mcp h GLU 222 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3mcp h GLU 222 Cb 0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3mcp h GLU 222 CO -0.04 0.72 0.14 0.82 -1.00 0.00 0.00 179.01 179.65 3mcp h ILE 223 N 0.95 1.22 -0.20 3.13 2.04 -0.60 -1.39 117.51 122.66 3mcp h ILE 223 Ca 0.24 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 3mcp h ILE 223 Cb 0.06 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3mcp h ILE 223 CO -0.03 0.26 -0.34 0.00 0.00 0.00 0.00 178.15 178.03 3mcp h ALA 224 N 0.99 1.03 0.00 1.87 0.00 -0.73 -2.79 119.26 119.63 3mcp h ALA 224 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mcp h ALA 224 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mcp h ALA 224 CO -0.00 0.59 0.00 -1.91 0.00 0.00 0.00 179.25 177.93 3mcp n GLU 225 N -4.07 0.11 -0.24 0.00 4.07 0.78 -4.91 120.64 116.39 3mcp n GLU 225 Ca -0.01 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 3mcp n GLU 225 Cb 0.46 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 3mcp n GLU 225 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mcp n GLY 226 N 1.10 0.65 0.06 8.31 0.00 -0.63 -4.97 105.19 109.72 3mcp n GLY 226 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3mcp n GLY 226 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mcp h ILE 227 N 0.00 0.46 -3.73 -0.61 2.04 -1.55 -3.46 117.51 110.66 3mcp h ILE 227 Ca 0.00 -1.32 -0.49 0.00 1.00 0.00 0.00 64.86 64.05 3mcp h ILE 227 Cb 0.00 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3mcp h ILE 227 CO 0.00 0.15 0.24 -0.60 0.00 0.00 0.00 178.15 177.94 3mcp s ARG 228 N -1.83 4.45 0.38 2.37 6.06 -0.97 -4.97 118.95 124.43 3mcp s ARG 228 Ca -0.05 1.13 -0.21 0.00 -2.50 0.00 0.00 55.73 54.09 3mcp s ARG 228 Cb -0.01 -2.86 -0.10 0.00 0.06 0.00 0.00 34.95 32.04 3mcp s ARG 228 CO 0.19 0.35 0.90 -1.25 -2.50 0.00 0.00 175.30 172.99 3mcp s PRO 229 N -1.97 4.28 0.00 5.12 0.04 -1.26 -4.09 135.00 137.13 3mcp s PRO 229 Ca 0.46 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3mcp s PRO 229 Cb -0.18 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3mcp s PRO 229 CO 0.23 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.78 3mcp n GLY 230 N -0.22 -0.49 3.36 0.56 0.00 -1.26 -4.91 105.19 102.23 3mcp n GLY 230 Ca 0.05 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.68 3mcp n GLY 230 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mcp s ASN 231 N -4.00 6.80 0.19 1.61 3.84 -1.26 -4.92 114.94 117.20 3mcp s ASN 231 Ca 0.00 -2.65 -0.12 0.00 0.21 0.00 0.00 52.86 50.30 3mcp s ASN 231 Cb 0.00 -2.26 0.21 0.00 -0.55 0.00 0.00 41.25 38.65 3mcp s ASN 231 CO 0.00 -0.66 1.71 -0.09 -2.79 0.00 0.00 177.10 175.26 3mcp h ARG 232 N 7.89 0.21 -0.76 0.43 2.43 -1.95 0.21 114.38 122.84 3mcp h ARG 232 Ca 0.14 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3mcp h ARG 232 Cb 1.01 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 3mcp h ARG 232 CO 0.88 0.14 0.50 0.93 -1.51 0.00 0.00 179.97 180.90 3mcp h GLU 233 N 0.21 0.75 -0.03 0.20 5.08 -1.92 -1.59 114.58 117.28 3mcp h GLU 233 Ca 0.26 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 3mcp h GLU 233 Cb 0.38 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3mcp h GLU 233 CO -0.36 0.50 -0.50 0.00 -1.00 0.00 0.00 179.01 177.64 3mcp h ALA 234 N 1.60 0.11 -0.80 3.43 0.00 -1.37 -2.79 119.26 119.44 3mcp h ALA 234 Ca 0.33 -0.52 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3mcp h ALA 234 Cb 0.30 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3mcp h ALA 234 CO -0.12 0.31 0.52 0.00 0.00 0.00 0.00 179.25 179.96 3mcp h ALA 235 N 0.36 1.83 0.34 0.00 0.00 -0.19 -1.10 119.26 120.51 3mcp h ALA 235 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mcp h ALA 235 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mcp h ALA 235 CO 0.10 -0.01 -0.17 0.82 0.00 0.00 0.00 179.25 179.99 3mcp h ILE 236 N 0.67 0.53 -0.96 0.00 2.04 -1.35 -3.20 117.51 115.24 3mcp h ILE 236 Ca 0.38 -0.68 0.27 0.00 1.00 0.00 0.00 64.86 65.83 3mcp h ILE 236 Cb 0.55 0.81 -0.14 0.00 -0.74 0.00 0.00 36.82 37.30 3mcp h ILE 236 CO -0.15 0.11 0.48 0.00 0.00 0.00 0.00 178.15 178.58 3mcp h ALA 237 N -0.52 1.70 -0.87 1.87 0.00 -1.16 0.31 119.26 120.59 3mcp h ALA 237 Ca -0.05 0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.25 3mcp h ALA 237 Cb 0.53 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3mcp h ALA 237 CO 0.08 -0.46 0.37 0.00 0.00 0.00 0.00 179.25 179.24 3mcp h ALA 238 N 1.79 1.35 0.15 0.00 0.00 -1.20 0.44 119.26 121.78 3mcp h ALA 238 Ca 0.65 0.15 -0.34 0.00 0.00 0.00 0.00 54.91 55.38 3mcp h ALA 238 Cb 1.38 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3mcp h ALA 238 CO -0.58 -0.31 -1.75 0.74 0.00 0.00 0.00 179.25 177.35 3mcp h PHE 239 N 0.41 0.56 -0.14 0.00 0.04 -0.56 -3.25 116.94 114.01 3mcp h PHE 239 Ca 0.53 -0.41 0.03 0.00 2.80 0.00 0.00 57.97 60.91 3mcp h PHE 239 Cb 0.96 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 3mcp h PHE 239 CO -0.15 1.69 -0.04 0.93 -0.60 0.00 0.00 178.31 180.14 3mcp h GLU 240 N -0.03 -0.00 -1.00 1.51 5.08 -0.62 -0.71 114.58 118.81 3mcp h GLU 240 Ca -0.36 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3mcp h GLU 240 Cb 1.98 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.14 3mcp h GLU 240 CO 0.11 -0.00 0.61 1.49 -1.00 0.00 0.00 179.01 180.22 3mcp h GLU 241 N -0.00 0.83 -0.31 2.33 4.57 -0.28 0.14 114.58 121.85 3mcp h GLU 241 Ca 0.07 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 3mcp h GLU 241 Cb 0.10 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3mcp h GLU 241 CO -0.14 0.55 -0.14 1.25 -1.18 0.00 0.00 179.01 179.35 3mcp h LEU 242 N 0.85 0.66 -0.59 1.64 6.46 -1.47 -3.00 115.31 119.86 3mcp h LEU 242 Ca 0.54 -0.40 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 3mcp h LEU 242 Cb 0.72 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.41 3mcp h LEU 242 CO -0.34 0.91 0.23 1.23 -0.62 0.00 0.00 178.44 179.86 3mcp h GLY 243 N 0.40 0.82 -0.12 3.75 0.00 0.46 -0.47 103.07 107.91 3mcp h GLY 243 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3mcp h GLY 243 CO 0.04 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.38 3mcp n GLU 244 N -4.98 0.00 0.00 4.80 2.13 -0.15 -0.37 120.64 122.07 3mcp n GLU 244 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3mcp n GLU 244 Cb 0.25 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.97 3mcp n GLU 244 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mcp n ALA 246 N -0.30 0.00 0.01 4.31 0.00 -0.19 -1.82 120.51 122.51 3mcp n ALA 246 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3mcp n ALA 246 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3mcp n ALA 246 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mcp h GLY 247 N 0.00 0.03 0.55 0.00 0.00 -0.93 0.23 103.07 102.95 3mcp h GLY 247 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3mcp h GLY 247 CO 0.00 -0.07 0.23 -1.80 0.00 0.00 0.00 176.54 174.89 3mcp h ASP 248 N -0.06 0.27 0.63 0.19 3.58 -1.60 0.45 116.42 119.88 3mcp h ASP 248 Ca 0.06 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3mcp h ASP 248 Cb 0.14 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.21 3mcp h ASP 248 CO -0.13 0.18 -0.30 0.00 -2.88 0.00 0.00 179.24 176.10 3mcp h ALA 249 N 1.34 -0.85 -0.84 -0.78 0.00 -1.75 -2.63 119.26 113.75 3mcp h ALA 249 Ca 0.26 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3mcp h ALA 249 Cb 0.25 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 3mcp h ALA 249 CO -0.23 -0.89 0.35 -0.07 0.00 0.00 0.00 179.25 178.41 3mcp h LEU 250 N -1.02 0.32 0.23 0.00 4.07 -0.26 0.05 115.31 118.69 3mcp h LEU 250 Ca -0.09 0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3mcp h LEU 250 Cb 0.69 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.51 3mcp h LEU 250 CO 0.14 0.06 -0.36 0.00 -1.08 0.00 0.00 178.44 177.21 3mcp h ALA 251 N 1.63 -0.68 0.00 1.53 0.00 -0.00 0.23 119.26 121.97 3mcp h ALA 251 Ca 0.49 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3mcp h ALA 251 Cb 0.84 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3mcp h ALA 251 CO -0.47 -0.94 -0.29 0.66 0.00 0.00 0.00 179.25 178.21 3mcp h SER 252 N -0.65 0.00 -0.04 0.00 4.64 -1.02 -2.22 113.55 114.25 3mcp h SER 252 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 3mcp h SER 252 Cb 0.64 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3mcp h SER 252 CO -0.14 0.29 -0.35 0.00 -0.87 0.00 0.00 176.83 175.76 3mcp h ALA 253 N 1.71 0.10 0.00 5.18 0.00 -0.65 -3.27 119.26 122.33 3mcp h ALA 253 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3mcp h ALA 253 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3mcp h ALA 253 CO 0.04 0.19 -0.12 0.97 0.00 0.00 0.00 179.25 180.33 3mcp h ILE 254 N -0.22 0.31 -0.76 0.00 6.09 -0.44 -2.70 117.51 119.79 3mcp h ILE 254 Ca -0.03 -0.85 0.07 0.00 -1.37 0.00 0.00 64.86 62.68 3mcp h ILE 254 Cb 1.04 1.66 -0.05 0.00 0.47 0.00 0.00 36.82 39.93 3mcp h ILE 254 CO 0.07 0.12 0.50 0.74 -3.07 0.00 0.00 178.15 176.51 3mcp h THR 255 N 0.00 1.01 0.24 2.19 2.02 -1.45 0.92 112.91 117.85 3mcp h THR 255 Ca -0.00 -0.27 -0.34 0.00 0.77 0.00 0.00 66.41 66.57 3mcp h THR 255 Cb 0.65 0.16 0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3mcp h THR 255 CO 0.02 0.14 -1.50 -0.07 0.37 0.00 0.00 175.52 174.47 3mcp h LEU 256 N 0.78 0.81 0.07 2.58 4.07 -1.62 -3.38 115.31 118.62 3mcp h LEU 256 Ca 0.33 -0.89 -0.15 0.00 0.08 0.00 0.00 57.88 57.25 3mcp h LEU 256 Cb 0.29 -0.26 0.02 0.00 1.08 0.00 0.00 40.66 41.78 3mcp h LEU 256 CO -0.12 1.70 -0.61 0.40 -1.08 0.00 0.00 178.44 178.74 3mcp h ILE 257 N 0.14 1.51 -5.41 1.22 1.08 -1.37 -3.49 117.51 111.20 3mcp h ILE 257 Ca -0.26 -2.30 -0.22 0.00 -0.39 0.00 0.00 64.86 61.69 3mcp h ILE 257 Cb 2.16 2.97 0.18 0.00 -3.07 0.00 0.00 36.82 39.05 3mcp h ILE 257 CO 0.26 0.65 -0.76 -0.67 -0.69 0.00 0.00 178.15 176.95 3mcp n ASP 258 N -4.24 -6.72 -1.52 1.72 2.03 0.32 -4.98 116.55 103.15 3mcp n ASP 258 Ca -0.12 -0.63 -0.04 0.00 0.52 0.00 0.00 54.79 54.52 3mcp n ASP 258 Cb 0.71 -5.17 -0.01 0.00 -0.72 0.00 0.00 41.12 35.93 3mcp n ASP 258 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mcp n GLY 259 N -1.29 2.79 3.85 0.27 0.00 -1.26 -4.81 105.19 104.73 3mcp n GLY 259 Ca -0.06 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3mcp n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcp s LEU 260 N 0.00 3.68 -0.12 0.99 1.43 0.08 -4.61 118.68 120.12 3mcp s LEU 260 Ca 0.07 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3mcp s LEU 260 Cb -0.00 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 3mcp s LEU 260 CO 0.05 -0.54 -0.08 -0.63 0.23 0.00 0.00 176.35 175.38 3mcp s ILE 261 N -2.56 3.50 -0.09 -0.59 1.01 -0.51 -0.90 121.20 121.05 3mcp s ILE 261 Ca 0.58 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3mcp s ILE 261 Cb -0.10 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3mcp s ILE 261 CO 0.30 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.89 3mcp s VAL 262 N 0.01 2.50 -0.02 2.92 1.01 -0.37 -1.66 120.40 124.79 3mcp s VAL 262 Ca -0.02 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3mcp s VAL 262 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3mcp s VAL 262 CO 0.03 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 174.85 3mcp s ILE 263 N 0.06 2.50 0.00 2.22 1.01 -0.16 -0.61 121.20 126.22 3mcp s ILE 263 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3mcp s ILE 263 Cb -0.15 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3mcp s ILE 263 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3mcp n GLY 264 N 2.24 2.95 0.00 6.18 0.00 -0.50 -0.29 105.19 115.77 3mcp n GLY 264 Ca -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3mcp n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcp n GLY 265 N 0.00 -0.85 0.14 -0.02 0.00 -1.26 0.22 105.19 103.43 3mcp n GLY 265 Ca 0.00 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 3mcp n GLY 265 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mcp h GLY 266 N 0.00 -0.29 1.88 -0.02 0.00 -1.72 -3.02 103.07 99.91 3mcp h GLY 266 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3mcp h GLY 266 CO 0.00 -0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.48 3mcp n LEU 267 N -5.13 0.00 0.11 3.11 4.77 -0.99 -2.78 117.00 116.08 3mcp n LEU 267 Ca -0.09 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.40 3mcp n LEU 267 Cb 0.19 -0.44 0.37 0.00 -2.33 0.00 0.00 43.42 41.21 3mcp n LEU 267 CO 0.33 -0.30 0.71 -1.54 -1.33 0.00 0.00 177.39 175.27 3mcp n SER 268 N -1.44 0.36 0.30 -1.43 3.41 -1.14 -0.88 113.62 112.78 3mcp n SER 268 Ca 0.03 0.66 0.17 0.00 -0.26 0.00 0.00 58.87 59.47 3mcp n SER 268 Cb 0.10 -0.70 0.92 0.00 -0.26 0.00 0.00 64.21 64.26 3mcp n SER 268 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3mcp h GLY 269 N 0.00 0.00 -3.83 5.00 0.00 -1.76 -2.73 103.07 99.75 3mcp h GLY 269 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3mcp h GLY 269 CO 0.00 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.16 3mcp n ALA 270 N -2.19 5.72 -0.29 3.60 0.00 -0.06 -4.65 120.51 122.63 3mcp n ALA 270 Ca -0.02 -3.13 -0.02 0.00 0.00 0.00 0.00 53.44 50.27 3mcp n ALA 270 Cb 0.17 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.20 3mcp n ALA 270 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mcp h SER 271 N 1.35 -1.19 -0.93 0.00 0.02 -1.67 -1.17 113.55 109.96 3mcp h SER 271 Ca 0.59 0.26 0.39 0.00 -0.84 0.00 0.00 61.79 62.19 3mcp h SER 271 Cb 2.09 0.63 -0.17 0.00 0.14 0.00 0.00 62.40 65.10 3mcp h SER 271 CO 1.19 -0.29 0.49 1.17 -1.14 0.00 0.00 176.83 178.25 3mcp n LYS 272 N -5.47 -0.06 -0.07 3.45 4.81 -1.26 -1.55 118.16 118.01 3mcp n LYS 272 Ca 0.08 1.29 -0.04 0.00 -0.87 0.00 0.00 58.31 58.76 3mcp n LYS 272 Cb 0.39 -2.31 -0.14 0.00 0.02 0.00 0.00 35.03 32.99 3mcp n LYS 272 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3mcp n TYR 273 N -5.11 0.00 0.03 5.64 4.01 -0.50 -4.62 117.16 116.60 3mcp n TYR 273 Ca 0.35 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 58.05 3mcp n TYR 273 Cb 1.19 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 3mcp n TYR 273 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3mcp h ILE 274 N 0.00 0.21 -0.77 -0.72 2.04 -0.68 -3.38 117.51 114.21 3mcp h ILE 274 Ca -0.37 -1.00 0.16 0.00 1.00 0.00 0.00 64.86 64.66 3mcp h ILE 274 Cb 1.81 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 38.16 3mcp h ILE 274 CO 0.02 0.06 0.27 0.25 0.00 0.00 0.00 178.15 178.75 3mcp h LEU 275 N -1.03 0.19 0.13 1.44 5.85 -1.53 -1.95 115.31 118.40 3mcp h LEU 275 Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3mcp h LEU 275 Cb 0.24 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3mcp h LEU 275 CO 0.03 0.04 -0.11 -0.65 -0.34 0.00 0.00 178.44 177.40 3mcp h PRO 276 N 0.37 -0.25 -0.42 5.25 0.11 -1.80 0.19 132.00 135.46 3mcp h PRO 276 Ca 0.44 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.46 3mcp h PRO 276 Cb 0.72 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3mcp h PRO 276 CO -0.46 -0.16 -0.18 0.28 -0.21 0.00 0.00 178.00 177.27 3mcp h VAL 277 N -0.26 1.27 0.12 3.15 2.07 -1.66 -0.94 116.25 120.00 3mcp h VAL 277 Ca -0.00 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3mcp h VAL 277 Cb 0.24 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3mcp h VAL 277 CO -0.02 0.43 -0.16 0.25 0.02 0.00 0.00 177.57 178.10 3mcp h LEU 278 N 0.71 -0.42 -0.89 2.57 6.46 -1.17 -1.54 115.31 121.03 3mcp h LEU 278 Ca 0.11 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3mcp h LEU 278 Cb 0.69 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 3mcp h LEU 278 CO 0.05 -0.23 0.40 -0.07 -0.62 0.00 0.00 178.44 177.96 3mcp h LEU 279 N -0.32 1.08 -0.92 2.25 3.38 -0.84 -2.58 115.31 117.36 3mcp h LEU 279 Ca 0.01 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3mcp h LEU 279 Cb 0.32 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3mcp h LEU 279 CO -0.07 0.91 0.57 0.50 0.09 0.00 0.00 178.44 180.45 3mcp h LYS 280 N 1.18 0.94 -1.37 1.13 3.64 -0.77 -1.99 116.57 119.33 3mcp h LYS 280 Ca 0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3mcp h LYS 280 Cb 0.12 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3mcp h LYS 280 CO -0.04 0.62 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 3mcp n GLU 281 N -4.63 0.53 0.00 1.90 -0.58 -0.61 -1.96 120.64 115.28 3mcp n GLU 281 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3mcp n GLU 281 Cb 0.26 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3mcp n GLU 281 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3mcp n ASN 283 N 0.68 0.00 0.11 1.62 3.02 -0.75 -2.21 115.26 117.74 3mcp n ASN 283 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 3mcp n ASN 283 Cb 0.25 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.28 3mcp n ASN 283 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mcp h ALA 284 N 0.00 0.05 0.05 5.41 0.00 -1.65 -3.17 119.26 119.95 3mcp h ALA 284 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 3mcp h ALA 284 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mcp h ALA 284 CO 0.00 0.91 -0.35 0.37 0.00 0.00 0.00 179.25 180.18 3mcp h GLN 285 N 0.09 0.15 0.00 0.00 4.15 -1.73 -3.11 115.11 114.67 3mcp h GLN 285 Ca -0.16 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3mcp h GLN 285 Cb 2.01 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.78 3mcp h GLN 285 CO 0.22 1.07 0.00 0.25 -1.93 0.00 0.00 178.83 178.44 3mcp n THR 286 N -4.41 0.00 -2.99 2.39 -2.24 -1.26 -5.14 114.28 100.63 3mcp n THR 286 Ca -0.11 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.23 3mcp n THR 286 Cb 0.61 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 3mcp n THR 286 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mcp s GLY 287 N -1.45 1.57 -2.02 3.38 0.00 -1.18 -4.27 107.32 103.35 3mcp s GLY 287 Ca 0.18 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3mcp s GLY 287 CO 0.14 1.82 0.00 -1.06 0.00 0.00 0.00 173.10 173.99 3mcp n GLN 298 N 7.00 -1.41 -3.47 2.90 6.02 -1.26 -5.08 117.38 122.09 3mcp n GLN 298 Ca -0.06 1.17 0.01 0.00 -0.01 0.00 0.00 57.00 58.11 3mcp n GLN 298 Cb 0.44 -5.52 -0.04 0.00 1.02 0.00 0.00 30.24 26.14 3mcp n GLN 298 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3mcp s LYS 299 N -3.61 0.36 0.04 -1.09 2.47 -1.26 -4.58 119.74 112.08 3mcp s LYS 299 Ca 0.00 0.91 0.07 0.00 -1.56 0.00 0.00 55.97 55.39 3mcp s LYS 299 Cb 0.00 0.55 -0.03 0.00 -1.46 0.00 0.00 37.83 36.88 3mcp s LYS 299 CO 0.00 -0.12 -0.17 -2.00 0.16 0.00 0.00 175.35 173.21 3mcp s GLU 300 N 2.55 2.09 -0.21 4.03 2.12 -1.20 -4.85 118.70 123.22 3mcp s GLU 300 Ca -0.03 -0.98 -0.05 0.00 0.36 0.00 0.00 54.97 54.27 3mcp s GLU 300 Cb -0.07 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 3mcp s GLU 300 CO -0.18 0.54 -0.00 0.08 -0.54 0.00 0.00 175.26 175.16 3mcp s VAL 301 N -0.95 3.82 0.12 3.70 1.01 -1.26 0.05 120.40 126.89 3mcp s VAL 301 Ca 0.15 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3mcp s VAL 301 Cb -0.11 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3mcp s VAL 301 CO 0.06 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.39 3mcp s TYR 302 N 1.24 3.22 -0.82 5.22 1.51 -0.03 -4.95 117.35 122.75 3mcp s TYR 302 Ca 0.03 0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.91 3mcp s TYR 302 Cb -0.15 -1.59 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 3mcp s TYR 302 CO 0.01 0.52 1.20 0.34 -1.11 0.00 0.00 175.55 176.52 3mcp s ASP 303 N -2.79 6.33 0.00 2.29 -1.08 -1.26 -1.99 116.67 118.17 3mcp s ASP 303 Ca 0.31 -1.14 0.08 0.00 -0.52 0.00 0.00 52.55 51.29 3mcp s ASP 303 Cb -0.11 -2.49 0.39 0.00 -1.46 0.00 0.00 42.92 39.25 3mcp s ASP 303 CO 0.24 -1.51 1.19 0.18 0.52 0.00 0.00 175.17 175.79 3mcp n LEU 304 N 8.28 0.00 -0.10 -1.34 4.77 -1.00 -2.61 117.00 124.99 3mcp n LEU 304 Ca 0.12 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 3mcp n LEU 304 Cb 0.48 -0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3mcp n LEU 304 CO 0.64 -0.27 0.27 0.47 -1.33 0.00 0.00 177.39 177.17 3mcp n ASP 305 N -1.37 0.98 -4.66 -1.43 8.00 -1.26 -4.76 116.55 112.04 3mcp n ASP 305 Ca 0.03 -0.80 -0.35 0.00 0.71 0.00 0.00 54.79 54.38 3mcp n ASP 305 Cb 0.08 0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 3mcp n ASP 305 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3mcp s GLU 306 N -2.86 3.43 0.08 -1.24 2.12 -1.07 -5.05 118.70 114.12 3mcp s GLU 306 Ca 0.13 -0.37 -0.28 0.00 0.36 0.00 0.00 54.97 54.80 3mcp s GLU 306 Cb 0.17 -2.98 -0.16 0.00 0.26 0.00 0.00 34.13 31.42 3mcp s GLU 306 CO 0.72 0.52 1.67 0.93 -0.54 0.00 0.00 175.26 178.56 3mcp h GLU 307 N 5.82 -0.48 -0.81 4.30 5.08 -1.88 -1.26 114.58 125.34 3mcp h GLU 307 Ca -0.44 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3mcp h GLU 307 Cb 1.19 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.46 3mcp h GLU 307 CO 0.61 -0.32 0.39 -0.22 -1.00 0.00 0.00 179.01 178.46 3mcp h LYS 308 N -0.50 0.55 -0.38 2.33 3.64 -1.96 -0.80 116.57 119.43 3mcp h LYS 308 Ca -0.04 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 3mcp h LYS 308 Cb 0.41 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3mcp h LYS 308 CO 0.05 0.36 -0.22 0.77 -2.27 0.00 0.00 179.45 178.14 3mcp h SER 309 N 0.56 0.86 0.30 4.20 0.02 -1.78 -3.00 113.55 114.72 3mcp h SER 309 Ca 0.44 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3mcp h SER 309 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3mcp h SER 309 CO -0.37 1.09 -0.31 0.15 -1.14 0.00 0.00 176.83 176.26 3mcp h PHE 310 N 0.63 0.01 -0.14 3.45 3.04 -0.46 -2.42 116.94 121.05 3mcp h PHE 310 Ca 0.08 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 3mcp h PHE 310 Cb 0.79 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 3mcp h PHE 310 CO 0.06 0.31 0.08 0.00 -2.02 0.00 0.00 178.31 176.74 3mcp h ALA 311 N 1.69 0.18 0.00 2.41 0.00 -1.03 -0.40 119.26 122.11 3mcp h ALA 311 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3mcp h ALA 311 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3mcp h ALA 311 CO 0.04 -0.29 -0.30 0.78 0.00 0.00 0.00 179.25 179.48 3mcp h GLY 312 N 0.13 0.00 0.94 0.00 0.00 -1.51 -2.72 103.07 99.91 3mcp h GLY 312 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3mcp h GLY 312 CO -0.01 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.73 3mcp h PHE 313 N 0.00 0.76 -0.10 5.60 3.57 -1.02 -2.30 116.94 123.45 3mcp h PHE 313 Ca -0.00 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3mcp h PHE 313 Cb 0.70 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3mcp h PHE 313 CO 0.00 0.81 0.01 0.00 -2.23 0.00 0.00 178.31 176.90 3mcp h ALA 314 N 0.84 0.13 0.15 2.41 0.00 -0.78 -3.34 119.26 118.68 3mcp h ALA 314 Ca 0.10 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 3mcp h ALA 314 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mcp h ALA 314 CO 0.03 -0.21 -1.68 0.07 0.00 0.00 0.00 179.25 177.46 3mcp h ARG 315 N -0.09 0.33 0.00 0.00 0.11 -1.60 -3.43 114.38 109.69 3mcp h ARG 315 Ca 0.03 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.55 3mcp h ARG 315 Cb 0.32 0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3mcp h ARG 315 CO 0.00 1.22 0.00 0.41 0.10 0.00 0.00 179.97 181.70 3mcp n GLY 316 N 1.79 3.35 2.56 0.08 0.00 -0.87 -2.26 105.19 109.85 3mcp n GLY 316 Ca -0.22 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 3mcp n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mcp n GLU 317 N 14.00 2.33 -2.29 1.61 1.02 -1.26 -5.05 120.64 130.99 3mcp n GLU 317 Ca 0.00 -3.89 -0.41 0.00 -0.02 0.00 0.00 57.16 52.84 3mcp n GLU 317 Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 3mcp n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mcp s ALA 318 N -3.35 3.46 0.29 0.62 0.00 -0.96 -4.35 121.76 117.49 3mcp s ALA 318 Ca 0.38 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.40 3mcp s ALA 318 Cb 0.43 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3mcp s ALA 318 CO -0.08 -0.42 0.38 1.33 0.00 0.00 0.00 175.76 176.98 3mcp n VAL 319 N 1.54 0.00 -5.11 0.00 0.24 -0.37 -5.01 118.33 109.61 3mcp n VAL 319 Ca 0.01 -1.60 -0.29 0.00 -2.04 0.00 0.00 64.34 60.42 3mcp n VAL 319 Cb 0.43 0.94 -0.16 0.00 -1.47 0.00 0.00 33.84 33.59 3mcp n VAL 319 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3mcp s GLU 320 N -2.76 2.04 -0.03 7.34 2.02 -1.26 -2.29 118.70 123.76 3mcp s GLU 320 Ca 0.26 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.52 3mcp s GLU 320 Cb -0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3mcp s GLU 320 CO 0.19 0.41 -0.24 0.14 0.02 0.00 0.00 175.26 175.77 3mcp s VAL 321 N -0.31 2.17 0.09 2.63 -7.23 0.46 -4.89 120.40 113.32 3mcp s VAL 321 Ca 0.03 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 3mcp s VAL 321 Cb -0.11 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3mcp s VAL 321 CO 0.01 0.58 0.97 -0.22 -0.31 0.00 0.00 175.10 176.13 3mcp s LEU 322 N -0.52 4.47 -0.42 1.32 2.96 -1.26 0.00 118.68 125.24 3mcp s LEU 322 Ca 0.07 1.78 -0.28 0.00 -0.22 0.00 0.00 54.13 55.48 3mcp s LEU 322 Cb -0.11 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3mcp s LEU 322 CO 0.00 -0.11 1.55 -0.69 -1.32 0.00 0.00 176.35 175.78 3mcp s VAL 323 N 0.19 3.73 -0.27 1.68 1.01 -0.51 -4.91 120.40 121.32 3mcp s VAL 323 Ca 0.48 0.72 -0.42 0.00 0.00 0.00 0.00 61.98 62.76 3mcp s VAL 323 Cb -0.23 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 31.89 3mcp s VAL 323 CO 0.30 -0.73 1.31 -2.65 0.00 0.00 0.00 175.10 173.33 3mcp n PRO 324 N 8.32 0.00 0.00 2.72 -0.02 -1.26 -0.31 135.00 144.45 3mcp n PRO 324 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3mcp n PRO 324 Cb 0.48 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3mcp n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mcp n GLY 325 N 2.78 2.56 3.95 -1.23 0.00 -1.26 -5.00 105.19 106.99 3mcp n GLY 325 Ca 0.25 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3mcp n GLY 325 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mcp s THR 326 N -1.21 2.81 -1.99 2.61 -1.32 0.58 -5.00 115.64 112.12 3mcp s THR 326 Ca 0.00 -0.43 0.21 0.00 -1.21 0.00 0.00 61.69 60.26 3mcp s THR 326 Cb 0.00 -3.11 0.61 0.00 -1.51 0.00 0.00 72.50 68.49 3mcp s THR 326 CO 0.00 -0.10 1.51 0.59 -2.21 0.00 0.00 174.62 174.41 3mcp n ASN 327 N -2.54 3.68 -4.89 8.08 3.02 -1.26 -4.62 115.26 116.73 3mcp n ASN 327 Ca 0.07 -2.01 -0.31 0.00 -0.03 0.00 0.00 54.58 52.30 3mcp n ASN 327 Cb 0.59 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 3mcp n ASN 327 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3mcp s ARG 328 N -1.10 3.73 0.03 3.52 0.52 -1.26 -4.99 118.95 119.40 3mcp s ARG 328 Ca 0.46 0.17 0.09 0.00 -0.52 0.00 0.00 55.73 55.92 3mcp s ARG 328 Cb 0.24 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3mcp s ARG 328 CO 0.31 0.29 -0.25 0.15 0.02 0.00 0.00 175.30 175.82 3mcp s LYS 329 N -3.06 1.92 0.01 3.54 3.01 -1.26 -1.42 119.74 122.47 3mcp s LYS 329 Ca 0.46 -1.05 0.06 0.00 -1.01 0.00 0.00 55.97 54.43 3mcp s LYS 329 Cb -0.11 -2.04 -0.02 0.00 -1.01 0.00 0.00 37.83 34.65 3mcp s LYS 329 CO 0.25 0.53 -0.18 0.54 0.51 0.00 0.00 175.35 177.00 3mcp s VAL 330 N -0.79 1.41 0.32 3.17 0.11 0.10 -4.91 120.40 119.81 3mcp s VAL 330 Ca 0.12 -0.92 -0.27 0.00 -2.93 0.00 0.00 61.98 57.98 3mcp s VAL 330 Cb -0.10 -1.21 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 3mcp s VAL 330 CO 0.02 0.27 1.07 -0.83 -3.33 0.00 0.00 175.10 172.30 3mcp s GLY 331 N -0.75 2.95 -0.23 6.54 0.00 -1.26 -0.40 107.32 114.16 3mcp s GLY 331 Ca 0.06 0.80 -0.19 0.00 0.00 0.00 0.00 44.72 45.39 3mcp s GLY 331 CO 0.00 1.33 0.60 -0.47 0.00 0.00 0.00 173.10 174.57 3mcp s TYR 332 N -1.35 -0.74 -0.23 1.90 5.04 -0.97 -4.90 117.35 116.09 3mcp s TYR 332 Ca 0.49 1.70 -0.04 0.00 -2.44 0.00 0.00 57.07 56.78 3mcp s TYR 332 Cb -0.28 0.32 0.08 0.00 0.35 0.00 0.00 41.96 42.43 3mcp s TYR 332 CO 0.35 -0.37 0.11 0.34 -1.34 0.00 0.00 175.55 174.64 3mcp s ASP 333 N 0.73 3.00 0.01 4.32 -1.08 -1.26 -1.24 116.67 121.15 3mcp s ASP 333 Ca -0.03 -0.98 0.18 0.00 -0.52 0.00 0.00 52.55 51.20 3mcp s ASP 333 Cb -0.05 -0.34 0.76 0.00 -1.46 0.00 0.00 42.92 41.84 3mcp s ASP 333 CO -0.05 -0.39 1.57 -0.81 0.52 0.00 0.00 175.17 176.01 3mcp n PRO 334 N 5.24 0.01 -2.48 4.34 -0.04 -1.26 -4.70 135.00 136.11 3mcp n PRO 334 Ca -0.06 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3mcp n PRO 334 Cb 0.45 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 3mcp n PRO 334 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mcp s LYS 336 N 4.94 4.28 0.05 0.00 1.02 -1.26 -4.85 119.74 123.91 3mcp s LYS 336 Ca 0.51 0.65 -0.11 0.00 0.02 0.00 0.00 55.97 57.05 3mcp s LYS 336 Cb -0.10 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 3mcp s LYS 336 CO 0.29 -0.12 0.23 -0.98 -0.92 0.00 0.00 175.35 173.85 3mcp s ARG 337 N 1.50 0.75 0.21 1.68 1.70 -1.26 -3.27 118.95 120.26 3mcp s ARG 337 Ca 0.30 -0.61 -0.00 0.00 -0.47 0.00 0.00 55.73 54.95 3mcp s ARG 337 Cb -0.16 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3mcp s ARG 337 CO 0.12 -0.23 0.10 -1.50 -1.08 0.00 0.00 175.30 172.71 3mcp s ILE 338 N -2.67 0.26 0.13 4.99 1.10 0.11 -4.93 121.20 120.18 3mcp s ILE 338 Ca -0.04 -1.99 -0.10 0.00 -0.51 0.00 0.00 60.65 58.01 3mcp s ILE 338 Cb -0.01 -2.45 -0.00 0.00 0.15 0.00 0.00 42.46 40.15 3mcp s ILE 338 CO -0.04 -0.10 0.27 -0.83 -2.11 0.00 0.00 174.94 172.13 3mcp s GLY 339 N -3.20 0.24 -0.04 1.50 0.00 -1.26 -0.85 107.32 103.72 3mcp s GLY 339 Ca 0.35 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3mcp s GLY 339 CO 0.11 -0.75 -0.09 0.14 0.00 0.00 0.00 173.10 172.51 3mcp s VAL 340 N -3.91 0.82 0.01 1.40 1.01 -0.84 -1.42 120.40 117.46 3mcp s VAL 340 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3mcp s VAL 340 Cb 0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3mcp s VAL 340 CO -0.05 0.27 0.03 0.28 0.00 0.00 0.00 175.10 175.62 3mcp s THR 341 N 0.43 0.08 0.20 3.92 -1.32 -0.66 -2.36 115.64 115.93 3mcp s THR 341 Ca -0.07 -0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 59.61 3mcp s THR 341 Cb -0.11 -0.26 -0.07 0.00 -1.51 0.00 0.00 72.50 70.54 3mcp s THR 341 CO 0.01 -0.37 0.57 -0.36 -2.21 0.00 0.00 174.62 172.27 3mcp s PHE 342 N -1.13 3.50 0.25 9.09 0.40 -1.26 -0.99 117.98 127.84 3mcp s PHE 342 Ca -0.12 1.00 -0.31 0.00 -0.60 0.00 0.00 56.93 56.90 3mcp s PHE 342 Cb -0.07 -2.34 -0.11 0.00 0.51 0.00 0.00 43.02 41.00 3mcp s PHE 342 CO -0.00 0.32 1.60 0.45 0.70 0.00 0.00 175.22 178.29 3mcp s SER 343 N -2.05 6.44 0.10 1.36 0.15 0.61 -4.84 113.70 115.46 3mcp s SER 343 Ca 0.44 2.85 0.19 0.00 0.70 0.00 0.00 55.95 60.12 3mcp s SER 343 Cb -0.13 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.46 3mcp s SER 343 CO 0.20 -0.89 0.88 0.29 1.20 0.00 0.00 173.24 174.92 3mcp n LYS 344 N 2.89 0.62 0.04 5.44 4.76 -1.26 -4.22 118.16 126.43 3mcp n LYS 344 Ca 0.11 0.18 -0.06 0.00 -2.87 0.00 0.00 58.31 55.67 3mcp n LYS 344 Cb 0.37 -1.80 -0.11 0.00 -1.84 0.00 0.00 35.03 31.65 3mcp n LYS 344 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3mcp h GLN 345 N 0.00 0.00 0.00 1.97 4.15 -1.98 -3.50 115.11 115.74 3mcp h GLN 345 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3mcp h GLN 345 Cb 1.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.09 3mcp h GLN 345 CO 0.03 0.69 0.00 0.41 -1.93 0.00 0.00 178.83 178.03 3mcp n GLY 346 N 1.41 1.16 0.36 2.39 0.00 -1.26 -4.45 105.19 104.79 3mcp n GLY 346 Ca -0.06 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.54 3mcp n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcp h ALA 347 N 0.00 1.47 -0.51 4.61 0.00 -1.92 -2.20 119.26 120.71 3mcp h ALA 347 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mcp h ALA 347 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3mcp h ALA 347 CO 0.00 0.22 0.31 -0.91 0.00 0.00 0.00 179.25 178.87 3mcp h ASN 348 N 0.98 0.61 -0.01 0.00 4.21 -1.99 -0.85 115.58 118.53 3mcp h ASN 348 Ca 0.48 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.94 3mcp h ASN 348 Cb 0.46 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3mcp h ASN 348 CO -0.26 0.49 0.00 -0.09 -1.29 0.00 0.00 177.43 176.27 3mcp h ARG 349 N 0.68 0.02 -0.87 0.81 9.65 -1.69 -2.57 114.38 120.41 3mcp h ARG 349 Ca 0.18 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 3mcp h ARG 349 Cb -0.02 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.52 3mcp h ARG 349 CO -0.03 0.31 0.57 0.77 2.80 0.00 0.00 179.97 184.39 3mcp h SER 350 N -0.29 0.94 -0.19 -3.80 0.02 -1.29 -2.39 113.55 106.56 3mcp h SER 350 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3mcp h SER 350 Cb 0.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3mcp h SER 350 CO 0.00 0.66 0.01 0.40 -1.14 0.00 0.00 176.83 176.76 3mcp h ILE 351 N 1.10 1.24 0.00 3.27 2.04 -1.14 0.31 117.51 124.33 3mcp h ILE 351 Ca 0.34 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3mcp h ILE 351 Cb -0.01 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3mcp h ILE 351 CO -0.10 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3mcp n ALA 352 N -2.31 1.09 0.00 1.87 0.00 -0.90 -1.43 120.51 118.83 3mcp n ALA 352 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3mcp n ALA 352 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3mcp n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mcp n GLY 354 N 0.51 0.00 0.21 0.00 0.00 0.11 -1.11 105.19 104.90 3mcp n GLY 354 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3mcp n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcp h ALA 355 N 0.00 0.59 0.75 4.61 0.00 -1.49 0.18 119.26 123.89 3mcp h ALA 355 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3mcp h ALA 355 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mcp h ALA 355 CO 0.00 0.16 -0.36 -0.92 0.00 0.00 0.00 179.25 178.13 3mcp h TYR 356 N 0.59 -0.93 -0.70 0.00 3.20 -1.39 -2.19 116.97 115.55 3mcp h TYR 356 Ca 0.15 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3mcp h TYR 356 Cb 0.14 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3mcp h TYR 356 CO -0.01 -0.57 0.15 0.28 -1.64 0.00 0.00 178.16 176.37 3mcp h VAL 357 N -1.07 1.26 -0.98 1.81 2.07 -1.82 -2.19 116.25 115.33 3mcp h VAL 357 Ca -0.10 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3mcp h VAL 357 Cb 0.78 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3mcp h VAL 357 CO 0.17 0.38 0.63 0.15 0.02 0.00 0.00 177.57 178.92 3mcp h PHE 358 N 1.06 1.16 0.73 1.57 3.57 -0.95 -0.63 116.94 123.45 3mcp h PHE 358 Ca 0.22 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3mcp h PHE 358 Cb 0.41 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3mcp h PHE 358 CO 0.03 0.58 -0.42 0.00 -2.23 0.00 0.00 178.31 176.27 3mcp h ALA 359 N 1.46 -1.10 -0.36 2.41 0.00 -0.87 -2.74 119.26 118.06 3mcp h ALA 359 Ca 0.43 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3mcp h ALA 359 Cb 0.22 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3mcp h ALA 359 CO -0.19 -1.13 0.24 -0.07 0.00 0.00 0.00 179.25 178.11 3mcp h LEU 360 N -1.07 0.25 -0.11 0.00 3.38 -0.80 -1.60 115.31 115.36 3mcp h LEU 360 Ca -0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3mcp h LEU 360 Cb 0.85 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3mcp h LEU 360 CO 0.11 0.17 -0.15 0.78 0.09 0.00 0.00 178.44 179.44 3mcp h ASN 361 N 0.29 0.00 -0.34 -0.43 2.35 -1.06 -3.33 115.58 113.06 3mcp h ASN 361 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3mcp h ASN 361 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3mcp h ASN 361 CO -0.03 0.15 0.00 1.41 -1.65 0.00 0.00 177.43 177.31 3mcp n HIS 362 N -3.15 0.52 0.00 1.19 8.25 -0.63 -5.11 115.22 116.30 3mcp n HIS 362 Ca 0.03 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3mcp n HIS 362 Cb 0.57 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3mcp n HIS 362 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26