#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcx s THR 40 N 0.00 3.60 0.24 2.52 -4.23 -1.26 0.84 115.64 117.35 3mcx s THR 40 Ca 0.00 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.12 3mcx s THR 40 Cb 0.00 -3.21 0.20 0.00 1.34 0.00 0.00 72.50 70.83 3mcx s THR 40 CO 0.00 -0.18 1.79 0.25 -0.54 0.00 0.00 174.62 175.94 3mcx h LEU 41 N 1.22 0.55 -0.63 4.79 5.85 -1.95 -1.60 115.31 123.54 3mcx h LEU 41 Ca -0.45 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.36 3mcx h LEU 41 Cb 1.25 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3mcx h LEU 41 CO 0.58 0.30 0.40 0.44 -0.34 0.00 0.00 178.44 179.82 3mcx h ASP 42 N 0.67 0.66 -0.95 1.25 3.32 -1.97 -0.82 116.42 118.57 3mcx h ASP 42 Ca 0.39 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.46 3mcx h ASP 42 Cb 0.41 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3mcx h ASP 42 CO -0.28 0.46 0.62 0.44 -1.72 0.00 0.00 179.24 178.77 3mcx h ASP 43 N 0.79 1.06 -0.60 6.45 3.32 -1.76 0.01 116.42 125.69 3mcx h ASP 43 Ca 0.25 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3mcx h ASP 43 Cb -0.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3mcx h ASP 43 CO -0.09 0.74 0.29 0.00 -1.72 0.00 0.00 179.24 178.45 3mcx h ALA 44 N 1.37 0.78 -0.66 3.45 0.00 -0.56 -1.05 119.26 122.60 3mcx h ALA 44 Ca 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3mcx h ALA 44 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3mcx h ALA 44 CO -0.10 0.34 0.36 0.37 0.00 0.00 0.00 179.25 180.22 3mcx h GLN 45 N 0.82 0.91 -0.75 0.00 5.75 -0.70 -1.41 115.11 119.73 3mcx h GLN 45 Ca 0.21 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3mcx h GLN 45 Cb 0.12 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3mcx h GLN 45 CO -0.03 0.69 0.49 0.82 -2.65 0.00 0.00 178.83 178.15 3mcx h ILE 46 N 0.90 1.16 -0.48 2.39 2.04 -0.77 0.20 117.51 122.94 3mcx h ILE 46 Ca 0.23 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.79 3mcx h ILE 46 Cb 0.04 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 3mcx h ILE 46 CO -0.04 0.18 0.26 0.00 0.00 0.00 0.00 178.15 178.55 3mcx h ALA 47 N 1.29 0.61 -0.59 1.87 0.00 -0.87 -0.71 119.26 120.86 3mcx h ALA 47 Ca 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3mcx h ALA 47 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mcx h ALA 47 CO -0.08 -0.07 0.26 1.25 0.00 0.00 0.00 179.25 180.61 3mcx h LEU 48 N 0.52 0.79 -1.13 0.00 5.85 -0.80 -2.13 115.31 118.41 3mcx h LEU 48 Ca 0.20 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3mcx h LEU 48 Cb 0.07 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3mcx h LEU 48 CO -0.12 0.72 0.60 0.78 -0.34 0.00 0.00 178.44 180.08 3mcx h ASN 49 N 0.81 0.90 -0.47 1.25 2.35 -0.17 -1.26 115.58 118.98 3mcx h ASN 49 Ca 0.20 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3mcx h ASN 49 Cb 0.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3mcx h ASN 49 CO -0.02 0.56 0.19 1.23 -1.65 0.00 0.00 177.43 177.73 3mcx h GLY 50 N 1.01 0.82 0.87 2.83 0.00 -0.53 -0.95 103.07 107.12 3mcx h GLY 50 Ca 0.41 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3mcx h GLY 50 CO -0.17 0.40 0.06 -2.22 0.00 0.00 0.00 176.54 174.61 3mcx h ILE 51 N 0.75 1.19 -0.94 2.60 2.04 -0.64 -0.70 117.51 121.81 3mcx h ILE 51 Ca 0.18 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3mcx h ILE 51 Cb 0.19 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3mcx h ILE 51 CO -0.01 0.19 0.59 1.88 0.00 0.00 0.00 178.15 180.79 3mcx h TYR 52 N 0.15 1.21 -0.46 1.37 0.05 -1.16 -1.11 116.97 117.03 3mcx h TYR 52 Ca 0.06 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 3mcx h TYR 52 Cb 0.23 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3mcx h TYR 52 CO 0.00 0.79 0.17 -0.09 -1.05 0.00 0.00 178.16 177.98 3mcx h ARG 53 N 1.29 0.70 -0.77 4.88 9.65 -1.03 -1.54 114.38 127.55 3mcx h ARG 53 Ca 0.34 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3mcx h ARG 53 Cb -0.10 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 3mcx h ARG 53 CO -0.07 0.65 0.40 1.25 2.80 0.00 0.00 179.97 185.00 3mcx h LEU 54 N 0.60 0.98 -1.65 3.80 5.85 -0.81 -2.12 115.31 121.96 3mcx h LEU 54 Ca 0.15 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3mcx h LEU 54 Cb 0.22 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3mcx h LEU 54 CO -0.01 0.82 -0.08 0.00 -0.34 0.00 0.00 178.44 178.82 3mcx h ALA 55 N 1.21 1.72 -0.00 1.25 0.00 -0.80 -1.55 119.26 121.08 3mcx h ALA 55 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mcx h ALA 55 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mcx h ALA 55 CO -0.04 0.21 -0.09 -1.13 0.00 0.00 0.00 179.25 178.20 3mcx n SER 56 N -4.37 0.16 -4.52 0.00 3.41 -0.62 -1.02 113.62 106.65 3mcx n SER 56 Ca -0.02 0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 3mcx n SER 56 Cb 0.20 -0.26 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 3mcx n SER 56 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mcx s GLY 57 N -2.79 1.72 0.25 5.00 0.00 -0.58 -2.96 107.32 107.96 3mcx s GLY 57 Ca 0.20 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 3mcx s GLY 57 CO 0.53 -0.51 1.29 1.57 0.00 0.00 0.00 173.10 175.97 3mcx n HIS 58 N -3.37 1.91 -0.20 1.90 -0.00 -1.26 -1.83 115.22 112.36 3mcx n HIS 58 Ca 0.12 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3mcx n HIS 58 Cb 0.60 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.20 3mcx n HIS 58 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3mcx n SER 59 N 1.76 0.00 0.00 0.26 7.64 -1.26 -4.91 113.62 117.10 3mcx n SER 59 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3mcx n SER 59 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3mcx n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mcx n TYR 60 N -2.00 0.00 0.80 1.43 4.19 -0.88 -4.13 117.16 116.57 3mcx n TYR 60 Ca 0.00 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.34 3mcx n TYR 60 Cb 0.00 0.00 0.51 0.00 0.49 0.00 0.00 39.34 40.34 3mcx n TYR 60 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 3mcx n TYR 61 N 0.00 0.44 -0.21 2.98 4.01 -0.19 -1.80 117.16 122.39 3mcx n TYR 61 Ca 0.00 0.13 0.15 0.00 -0.16 0.00 0.00 57.90 58.02 3mcx n TYR 61 Cb 0.00 -0.71 0.46 0.00 -0.31 0.00 0.00 39.34 38.78 3mcx n TYR 61 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3mcx h GLY 62 N 4.65 0.90 0.00 2.72 0.00 -1.25 -3.38 103.07 106.71 3mcx h GLY 62 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3mcx h GLY 62 CO 0.00 0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.69 3mcx n ASP 63 N -4.51 0.00 -0.17 0.19 5.68 -1.20 -1.05 116.55 115.49 3mcx n ASP 63 Ca 0.16 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.43 3mcx n ASP 63 Cb 0.54 0.06 0.07 0.00 -1.14 0.00 0.00 41.12 40.65 3mcx n ASP 63 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3mcx h ASN 64 N 0.00 0.27 0.97 -1.12 4.21 -1.82 -0.27 115.58 117.82 3mcx h ASN 64 Ca 0.00 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3mcx h ASN 64 Cb 0.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3mcx h ASN 64 CO 0.00 0.18 -0.01 -1.22 -1.29 0.00 0.00 177.43 175.09 3mcx n TYR 65 N -4.95 0.00 -0.06 1.19 4.02 -0.74 -1.69 117.16 114.92 3mcx n TYR 65 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.89 3mcx n TYR 65 Cb 0.19 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.98 3mcx n TYR 65 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3mcx h TRP 66 N 0.00 0.00 -0.00 -0.72 2.91 -1.27 -3.41 115.95 113.46 3mcx h TRP 66 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3mcx h TRP 66 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3mcx h TRP 66 CO 0.00 0.36 -0.64 2.48 -1.03 0.00 0.00 178.44 179.61 3mcx n TYR 67 N -4.71 0.00 -0.16 2.65 0.18 -0.57 -3.38 117.16 111.17 3mcx n TYR 67 Ca -0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.71 3mcx n TYR 67 Cb 0.19 -0.16 0.07 0.00 -0.38 0.00 0.00 39.34 39.05 3mcx n TYR 67 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 3mcx h TYR 68 N 0.12 0.06 0.00 -3.48 3.20 -1.54 -1.12 116.97 114.21 3mcx h TYR 68 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3mcx h TYR 68 Cb 0.51 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3mcx h TYR 68 CO 0.00 -0.06 0.00 0.41 -1.64 0.00 0.00 178.16 176.87 3mcx n GLY 69 N -1.30 -0.94 0.13 1.82 0.00 -1.25 -2.21 105.19 101.43 3mcx n GLY 69 Ca 0.06 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3mcx n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mcx n ASP 70 N -1.24 1.95 0.13 1.61 8.00 -0.67 -0.90 116.55 125.43 3mcx n ASP 70 Ca 0.11 0.34 0.12 0.00 0.71 0.00 0.00 54.79 56.07 3mcx n ASP 70 Cb 0.15 -0.81 0.49 0.00 -0.02 0.00 0.00 41.12 40.94 3mcx n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mcx n ARG 72 N -2.23 0.15 0.00 0.00 5.12 -0.94 -4.24 116.66 114.52 3mcx n ARG 72 Ca 0.02 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3mcx n ARG 72 Cb 0.22 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 3mcx n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mcx n ALA 73 N -1.66 0.00 0.08 7.54 0.00 -0.64 -4.97 120.51 120.86 3mcx n ALA 73 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3mcx n ALA 73 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 3mcx n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcx n ALA 74 N -3.00 2.30 -0.07 0.00 0.00 -1.26 -4.77 120.51 113.70 3mcx n ALA 74 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 3mcx n ALA 74 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.23 3mcx n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mcx n ASP 75 N -0.75 0.26 -4.15 0.00 8.00 -1.26 -4.51 116.55 114.13 3mcx n ASP 75 Ca 0.01 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 3mcx n ASP 75 Cb 0.03 0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 41.68 3mcx n ASP 75 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mcx s VAL 76 N -2.55 1.97 0.27 2.53 1.01 -1.26 -0.98 120.40 121.38 3mcx s VAL 76 Ca -0.08 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.06 3mcx s VAL 76 Cb 0.07 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3mcx s VAL 76 CO 0.83 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 176.34 3mcx s GLN 77 N 0.82 1.56 0.56 2.72 -2.07 0.17 -4.00 119.66 119.42 3mcx s GLN 77 Ca -0.07 -1.75 -0.21 0.00 -1.82 0.00 0.00 55.36 51.50 3mcx s GLN 77 Cb -0.16 -1.36 -0.04 0.00 -1.09 0.00 0.00 33.01 30.36 3mcx s GLN 77 CO -0.01 0.16 1.31 0.00 -1.32 0.00 0.00 175.29 175.43 3mcx s ALA 78 N -2.83 2.72 0.08 2.60 0.00 -1.26 -1.60 121.76 121.47 3mcx s ALA 78 Ca 0.28 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 3mcx s ALA 78 Cb 0.00 -3.54 -0.23 0.00 0.00 0.00 0.00 23.12 19.36 3mcx s ALA 78 CO 0.12 -1.33 1.18 -0.09 0.00 0.00 0.00 175.76 175.63 3mcx h ARG 79 N 1.27 0.56 -3.23 0.00 2.43 -1.87 -3.44 114.38 110.10 3mcx h ARG 79 Ca -0.51 -0.68 -0.15 0.00 -0.81 0.00 0.00 59.98 57.83 3mcx h ARG 79 Cb 1.30 0.21 -0.22 0.00 -0.42 0.00 0.00 29.97 30.84 3mcx h ARG 79 CO 0.56 1.29 -0.41 -1.50 -1.51 0.00 0.00 179.97 178.40 3mcx s ILE 80 N -3.10 0.04 0.23 1.20 2.07 -1.26 -4.58 121.20 115.80 3mcx s ILE 80 Ca -0.08 -0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 58.51 3mcx s ILE 80 Cb 0.07 -0.45 -0.09 0.00 0.13 0.00 0.00 42.46 42.12 3mcx s ILE 80 CO 0.91 -0.19 1.01 0.28 -1.91 0.00 0.00 174.94 175.04 3mcx s THR 81 N -0.76 3.93 0.00 4.00 -1.32 -1.26 -4.73 115.64 115.49 3mcx s THR 81 Ca -0.08 1.85 0.00 0.00 -1.21 0.00 0.00 61.69 62.24 3mcx s THR 81 Cb -0.05 -4.18 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 3mcx s THR 81 CO 0.02 0.40 0.16 0.29 -2.21 0.00 0.00 174.62 173.28 3mcx n LYS 82 N 1.70 3.99 -0.07 7.08 5.02 -1.26 -5.09 118.16 129.53 3mcx n LYS 82 Ca -0.01 -0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.14 3mcx n LYS 82 Cb 0.46 -0.63 -0.00 0.00 -0.02 0.00 0.00 35.03 34.84 3mcx n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mcx n GLY 83 N 0.61 -2.21 3.78 0.72 0.00 -1.26 -4.72 105.19 102.11 3mcx n GLY 83 Ca 0.00 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3mcx n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mcx n ASP 84 N -0.79 3.81 0.00 1.61 8.00 -1.26 -2.99 116.55 124.93 3mcx n ASP 84 Ca 0.00 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3mcx n ASP 84 Cb 0.03 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.51 3mcx n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mcx n GLY 85 N 0.50 0.69 3.54 0.44 0.00 -1.26 -5.01 105.19 104.09 3mcx n GLY 85 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3mcx n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcx s LYS 86 N -0.15 1.81 0.23 1.61 -0.14 -1.16 -4.53 119.74 117.42 3mcx s LYS 86 Ca 0.00 -2.02 -0.30 0.00 -1.36 0.00 0.00 55.97 52.29 3mcx s LYS 86 Cb 0.00 -1.28 -0.09 0.00 -1.68 0.00 0.00 37.83 34.79 3mcx s LYS 86 CO 0.00 -0.11 1.00 -0.98 -0.76 0.00 0.00 175.35 174.49 3mcx s ARG 87 N -3.80 4.77 0.00 1.68 1.70 -1.26 -4.42 118.95 117.62 3mcx s ARG 87 Ca 0.36 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 57.20 3mcx s ARG 87 Cb 0.09 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 3mcx s ARG 87 CO 0.17 0.37 0.00 0.28 -1.08 0.00 0.00 175.30 175.04 3mcx n VAL 88 N 1.62 0.00 -0.29 4.99 0.31 -1.26 -4.67 118.33 119.04 3mcx n VAL 88 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3mcx n VAL 88 Cb 0.47 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.59 3mcx n VAL 88 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3mcx h SER 89 N 0.00 0.98 0.10 4.52 4.64 -1.85 -1.16 113.55 120.79 3mcx h SER 89 Ca 0.00 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3mcx h SER 89 Cb 0.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3mcx h SER 89 CO 0.00 0.70 -0.17 -0.65 -0.87 0.00 0.00 176.83 175.84 3mcx h PRO 90 N 1.15 0.14 0.26 4.77 0.11 -1.81 0.44 132.00 137.06 3mcx h PRO 90 Ca 0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3mcx h PRO 90 Cb -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3mcx h PRO 90 CO -0.08 0.31 -0.13 1.88 -0.21 0.00 0.00 178.00 179.78 3mcx h TYR 91 N 0.13 -0.33 -0.98 0.65 0.05 -1.69 -2.47 116.97 112.34 3mcx h TYR 91 Ca 0.03 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.90 3mcx h TYR 91 Cb 0.38 0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.15 3mcx h TYR 91 CO 0.00 0.03 0.61 -0.92 -1.05 0.00 0.00 178.16 176.83 3mcx h TYR 92 N -0.77 1.12 -0.01 4.88 3.20 -1.01 -1.61 116.97 122.77 3mcx h TYR 92 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3mcx h TYR 92 Cb 0.50 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3mcx h TYR 92 CO 0.04 0.47 -0.10 0.39 -1.64 0.00 0.00 178.16 177.32 3mcx n GLU 93 N -4.61 0.96 -3.83 1.82 1.02 0.13 -4.92 120.64 111.21 3mcx n GLU 93 Ca 0.17 -0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 56.62 3mcx n GLU 93 Cb 0.31 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.27 3mcx n GLU 93 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mcx n TYR 94 N -0.67 -2.42 -0.38 -0.32 4.02 -0.61 -4.67 117.16 112.13 3mcx n TYR 94 Ca 0.16 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.97 3mcx n TYR 94 Cb 0.28 -4.19 0.00 0.00 -0.02 0.00 0.00 39.34 35.42 3mcx n TYR 94 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3mcx n ASN 95 N -2.85 1.02 -4.71 7.72 0.23 -0.97 -5.02 115.26 110.68 3mcx n ASN 95 Ca 0.04 -1.39 -0.43 0.00 -0.53 0.00 0.00 54.58 52.26 3mcx n ASN 95 Cb 0.53 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 3mcx n ASN 95 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3mcx n VAL 96 N -0.20 1.30 -4.00 3.53 3.14 -0.97 -4.99 118.33 116.14 3mcx n VAL 96 Ca 0.00 -0.33 -0.22 0.00 -2.96 0.00 0.00 64.34 60.83 3mcx n VAL 96 Cb 0.25 -1.72 -0.03 0.00 -1.06 0.00 0.00 33.84 31.29 3mcx n VAL 96 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3mcx s LEU 97 N -0.55 4.20 0.65 6.55 1.43 -1.26 -4.74 118.68 124.96 3mcx s LEU 97 Ca 0.62 0.01 0.42 0.00 -1.03 0.00 0.00 54.13 54.16 3mcx s LEU 97 Cb -0.56 -2.74 2.33 0.00 0.03 0.00 0.00 46.19 45.24 3mcx s LEU 97 CO 0.53 -0.03 2.35 0.00 0.23 0.00 0.00 176.35 179.43 3mcx h ALA 98 N 1.47 1.08 -0.00 4.21 0.00 -1.87 -1.90 119.26 122.24 3mcx h ALA 98 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3mcx h ALA 98 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mcx h ALA 98 CO 0.62 0.00 -0.08 -1.13 0.00 0.00 0.00 179.25 178.67 3mcx n SER 99 N -3.19 0.57 -4.61 0.00 3.41 -1.26 -1.18 113.62 107.35 3mcx n SER 99 Ca -0.03 -0.79 -0.43 0.00 -0.26 0.00 0.00 58.87 57.36 3mcx n SER 99 Cb 0.08 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3mcx n SER 99 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mcx s ASP 100 N -2.33 6.44 -0.01 4.04 -1.08 -0.72 -4.90 116.67 118.11 3mcx s ASP 100 Ca 0.33 1.05 -0.25 0.00 -0.52 0.00 0.00 52.55 53.16 3mcx s ASP 100 Cb 0.20 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.93 3mcx s ASP 100 CO 0.44 -1.30 1.29 -1.13 0.52 0.00 0.00 175.17 174.99 3mcx h ASN 101 N 10.29 -0.04 -0.99 -0.34 -1.24 -1.90 -0.52 115.58 120.83 3mcx h ASN 101 Ca -0.28 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 56.35 3mcx h ASN 101 Cb 1.11 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.12 3mcx h ASN 101 CO 1.06 0.39 0.65 0.25 -1.29 0.00 0.00 177.43 178.49 3mcx h LEU 102 N -0.48 1.11 0.00 0.34 5.85 -1.91 -0.24 115.31 119.98 3mcx h LEU 102 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3mcx h LEU 102 Cb 0.44 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3mcx h LEU 102 CO 0.01 0.79 -0.96 0.59 -0.34 0.00 0.00 178.44 178.52 3mcx n ASN 103 N -4.42 0.91 0.06 1.25 3.02 -1.22 -4.40 115.26 110.46 3mcx n ASN 103 Ca 0.12 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3mcx n ASN 103 Cb 0.05 1.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.40 3mcx n ASN 103 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3mcx n ILE 104 N -1.53 0.52 0.06 2.41 2.08 -0.33 -4.69 119.36 117.89 3mcx n ILE 104 Ca 0.01 0.17 -0.13 0.00 0.56 0.00 0.00 62.75 63.37 3mcx n ILE 104 Cb 0.28 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.93 3mcx n ILE 104 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3mcx h VAL 105 N 0.00 1.03 -0.22 1.39 2.07 -1.18 -2.37 116.25 116.96 3mcx h VAL 105 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3mcx h VAL 105 Cb 0.20 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3mcx h VAL 105 CO 0.00 0.11 0.03 -0.07 0.02 0.00 0.00 177.57 177.66 3mcx h LEU 106 N -0.33 0.36 -1.39 2.57 3.38 -1.27 -0.89 115.31 117.75 3mcx h LEU 106 Ca -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3mcx h LEU 106 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3mcx h LEU 106 CO 0.02 0.54 0.14 -0.65 0.09 0.00 0.00 178.44 178.58 3mcx h PRO 107 N 0.17 0.55 0.30 1.13 0.11 -1.71 0.90 132.00 133.45 3mcx h PRO 107 Ca 0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3mcx h PRO 107 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3mcx h PRO 107 CO 0.01 0.47 -0.14 2.35 -0.21 0.00 0.00 178.00 180.48 3mcx h TRP 108 N 0.55 -0.37 -0.33 0.65 2.91 -1.32 -3.00 115.95 115.03 3mcx h TRP 108 Ca 0.13 -0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.04 3mcx h TRP 108 Cb 0.14 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 3mcx h TRP 108 CO 0.01 -0.05 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.22 3mcx h ASN 109 N -0.71 0.65 -0.32 2.65 2.35 -0.92 -2.00 115.58 117.27 3mcx h ASN 109 Ca -0.04 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.40 3mcx h ASN 109 Cb 0.49 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3mcx h ASN 109 CO 0.07 0.87 -0.13 0.74 -1.65 0.00 0.00 177.43 177.33 3mcx h THR 110 N 0.57 1.29 -0.47 2.81 2.02 -0.91 -0.54 112.91 117.68 3mcx h THR 110 Ca 0.08 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 65.93 3mcx h THR 110 Cb 0.70 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3mcx h THR 110 CO 0.05 0.39 -0.15 0.58 0.37 0.00 0.00 175.52 176.77 3mcx h VAL 111 N 0.43 1.27 -0.26 3.16 2.07 -1.39 -2.14 116.25 119.38 3mcx h VAL 111 Ca 0.08 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3mcx h VAL 111 Cb 0.65 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3mcx h VAL 111 CO 0.04 0.44 -0.05 1.88 0.02 0.00 0.00 177.57 179.90 3mcx h TYR 112 N 0.79 0.42 -0.50 1.57 0.05 -1.25 -0.69 116.97 117.37 3mcx h TYR 112 Ca 0.12 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3mcx h TYR 112 Cb 0.68 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 3mcx h TYR 112 CO 0.04 0.46 0.26 -0.22 -1.05 0.00 0.00 178.16 177.65 3mcx h LYS 113 N 0.39 0.71 -0.46 4.88 3.64 -0.71 0.11 116.57 125.12 3mcx h LYS 113 Ca 0.08 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3mcx h LYS 113 Cb 0.34 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3mcx h LYS 113 CO 0.01 0.57 0.30 0.28 -2.27 0.00 0.00 179.45 178.35 3mcx h VAL 114 N 0.66 1.12 -0.45 2.00 2.07 -0.80 -1.08 116.25 119.76 3mcx h VAL 114 Ca 0.17 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3mcx h VAL 114 Cb 0.08 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3mcx h VAL 114 CO -0.02 0.12 0.27 0.40 0.02 0.00 0.00 177.57 178.35 3mcx h ILE 115 N 0.62 1.05 -0.71 4.57 2.04 -0.80 -0.42 117.51 123.86 3mcx h ILE 115 Ca 0.17 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3mcx h ILE 115 Cb -0.06 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3mcx h ILE 115 CO -0.04 0.10 0.46 0.03 0.00 0.00 0.00 178.15 178.70 3mcx h ARG 116 N 0.54 0.88 -0.65 2.37 3.08 -0.72 -0.08 114.38 119.81 3mcx h ARG 116 Ca 0.18 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3mcx h ARG 116 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3mcx h ARG 116 CO -0.08 0.58 0.17 1.96 -1.07 0.00 0.00 179.97 181.53 3mcx h GLN 117 N 0.91 1.02 -0.92 0.04 4.20 -0.68 -0.89 115.11 118.80 3mcx h GLN 117 Ca 0.27 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.76 3mcx h GLN 117 Cb -0.04 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 3mcx h GLN 117 CO -0.09 0.91 0.61 1.79 -0.67 0.00 0.00 178.83 181.38 3mcx h THR 118 N 0.95 1.21 -0.53 -0.54 1.35 -0.46 -1.34 112.91 113.55 3mcx h THR 118 Ca 0.20 -0.42 -0.09 0.00 -0.55 0.00 0.00 66.41 65.55 3mcx h THR 118 Cb 0.34 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3mcx h THR 118 CO -0.00 0.22 -0.02 0.78 -0.25 0.00 0.00 175.52 176.25 3mcx h ASN 119 N 1.22 0.94 -0.71 5.36 2.35 -0.62 0.16 115.58 124.29 3mcx h ASN 119 Ca 0.34 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3mcx h ASN 119 Cb -0.11 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 37.98 3mcx h ASN 119 CO -0.09 1.03 0.40 0.78 -1.65 0.00 0.00 177.43 177.90 3mcx h ASN 120 N 0.83 0.88 -0.05 5.81 2.35 -0.95 -0.64 115.58 123.79 3mcx h ASN 120 Ca 0.15 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3mcx h ASN 120 Cb 0.56 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3mcx h ASN 120 CO 0.03 0.71 -0.03 0.25 -1.65 0.00 0.00 177.43 176.74 3mcx h LEU 121 N 0.97 0.11 -0.57 1.61 5.85 -1.05 -0.60 115.31 121.64 3mcx h LEU 121 Ca 0.25 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3mcx h LEU 121 Cb 0.02 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3mcx h LEU 121 CO -0.04 0.51 0.31 0.40 -0.34 0.00 0.00 178.44 179.28 3mcx h ILE 122 N -0.29 0.98 -0.71 4.05 2.04 -0.93 -1.20 117.51 121.45 3mcx h ILE 122 Ca 0.01 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3mcx h ILE 122 Cb 0.47 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3mcx h ILE 122 CO 0.01 0.11 0.25 -0.61 0.00 0.00 0.00 178.15 177.90 3mcx h GLN 123 N 0.60 1.09 -0.50 2.37 5.75 -1.05 -0.19 115.11 123.18 3mcx h GLN 123 Ca 0.25 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3mcx h GLN 123 Cb 0.13 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3mcx h GLN 123 CO -0.15 0.92 0.32 -0.22 -2.65 0.00 0.00 178.83 177.05 3mcx h LYS 124 N 1.04 0.62 -0.07 1.69 1.63 -0.71 0.04 116.57 120.80 3mcx h LYS 124 Ca 0.23 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3mcx h LYS 124 Cb 0.27 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3mcx h LYS 124 CO -0.01 0.41 0.04 0.82 -3.45 0.00 0.00 179.45 177.27 3mcx h ILE 125 N 0.64 1.05 0.00 2.00 2.04 -0.90 -3.13 117.51 119.20 3mcx h ILE 125 Ca 0.19 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 3mcx h ILE 125 Cb -0.03 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3mcx h ILE 125 CO -0.07 0.04 -0.13 -0.33 0.00 0.00 0.00 178.15 177.67 3mcx h GLU 126 N 0.06 0.00 0.00 2.37 5.08 -0.78 -2.81 114.58 118.50 3mcx h GLU 126 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3mcx h GLU 126 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mcx h GLU 126 CO -0.01 0.13 0.00 -1.13 -1.00 0.00 0.00 179.01 177.00 3mcx n SER 127 N -3.32 0.00 0.00 1.42 3.41 -0.02 -4.90 113.62 110.21 3mcx n SER 127 Ca -0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3mcx n SER 127 Cb 0.35 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3mcx n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mcx n GLY 128 N 1.14 0.68 0.01 5.00 0.00 -1.06 -4.90 105.19 106.04 3mcx n GLY 128 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3mcx n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mcx n SER 129 N -0.06 0.33 -4.69 1.61 3.41 -1.26 -4.79 113.62 108.17 3mcx n SER 129 Ca 0.00 -0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3mcx n SER 129 Cb 0.03 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3mcx n SER 129 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mcx s ILE 130 N -2.98 3.13 -1.45 -1.33 1.01 -1.26 -4.86 121.20 113.46 3mcx s ILE 130 Ca 0.13 0.61 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 3mcx s ILE 130 Cb 0.18 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.29 3mcx s ILE 130 CO 0.63 0.00 2.24 0.00 0.00 0.00 0.00 174.94 177.82 3mcx n GLN 131 N 5.33 2.85 -3.75 2.79 3.00 0.25 -4.83 117.38 123.01 3mcx n GLN 131 Ca 0.15 -2.58 -0.13 0.00 -0.01 0.00 0.00 57.00 54.43 3mcx n GLN 131 Cb 0.41 -3.28 -0.11 0.00 0.00 0.00 0.00 30.24 27.27 3mcx n GLN 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3mcx s SER 132 N 3.20 -0.36 0.00 1.08 0.15 -1.26 -4.52 113.70 111.99 3mcx s SER 132 Ca 0.48 0.70 0.22 0.00 0.70 0.00 0.00 55.95 58.05 3mcx s SER 132 Cb 0.14 0.71 0.49 0.00 -1.71 0.00 0.00 66.02 65.65 3mcx s SER 132 CO -0.09 -0.12 1.43 -1.54 1.20 0.00 0.00 173.24 174.13 3mcx n SER 133 N 2.90 3.07 -4.52 5.45 3.41 -1.26 -4.83 113.62 117.84 3mcx n SER 133 Ca -0.13 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.11 3mcx n SER 133 Cb 0.58 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3mcx n SER 133 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mcx s ASP 134 N -1.48 6.91 0.30 4.04 -1.08 -1.26 -4.81 116.67 119.28 3mcx s ASP 134 Ca 0.37 -2.60 0.02 0.00 -0.52 0.00 0.00 52.55 49.82 3mcx s ASP 134 Cb 0.22 -2.49 0.47 0.00 -1.46 0.00 0.00 42.92 39.66 3mcx s ASP 134 CO 0.30 -0.99 1.81 0.71 0.52 0.00 0.00 175.17 177.51 3mcx h THR 135 N 5.26 1.23 -0.57 1.71 1.35 -1.99 -0.40 112.91 119.50 3mcx h THR 135 Ca 0.35 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3mcx h THR 135 Cb 0.89 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 3mcx h THR 135 CO 1.33 0.32 0.27 0.50 -0.25 0.00 0.00 175.52 177.70 3mcx h LYS 136 N 0.57 0.83 -0.18 4.72 3.64 -1.99 0.47 116.57 124.63 3mcx h LYS 136 Ca 0.11 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3mcx h LYS 136 Cb 0.44 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3mcx h LYS 136 CO 0.02 0.67 -0.59 0.93 -2.27 0.00 0.00 179.45 178.22 3mcx h GLU 137 N 0.78 0.72 -0.93 1.90 4.39 -1.86 -1.23 114.58 118.36 3mcx h GLU 137 Ca 0.20 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.41 3mcx h GLU 137 Cb 0.12 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 3mcx h GLU 137 CO -0.02 1.15 0.60 -0.07 -1.16 0.00 0.00 179.01 179.50 3mcx h LEU 138 N 0.43 0.98 -0.73 1.33 3.38 -0.95 -1.08 115.31 118.67 3mcx h LEU 138 Ca -0.02 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3mcx h LEU 138 Cb 1.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3mcx h LEU 138 CO 0.12 0.66 -0.23 0.78 0.09 0.00 0.00 178.44 179.87 3mcx h ASN 139 N 1.14 0.74 -0.14 -0.43 2.35 -0.83 -0.75 115.58 117.65 3mcx h ASN 139 Ca 0.38 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3mcx h ASN 139 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3mcx h ASN 139 CO -0.14 0.95 0.02 -0.09 -1.65 0.00 0.00 177.43 176.52 3mcx h ARG 140 N 0.64 0.24 -0.57 0.81 2.43 -0.66 0.49 114.38 117.77 3mcx h ARG 140 Ca 0.09 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3mcx h ARG 140 Cb 0.72 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3mcx h ARG 140 CO 0.06 0.44 0.35 0.82 -1.51 0.00 0.00 179.97 180.12 3mcx h ILE 141 N 0.01 1.08 -0.69 1.20 2.04 -1.11 -0.24 117.51 119.80 3mcx h ILE 141 Ca 0.04 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3mcx h ILE 141 Cb 0.32 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3mcx h ILE 141 CO 0.00 0.13 0.46 0.50 0.00 0.00 0.00 178.15 179.24 3mcx h LYS 142 N 0.70 0.91 -0.47 2.37 3.64 -1.01 -1.57 116.57 121.15 3mcx h LYS 142 Ca 0.22 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3mcx h LYS 142 Cb -0.00 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3mcx h LYS 142 CO -0.09 0.60 0.04 0.77 -2.27 0.00 0.00 179.45 178.51 3mcx h SER 143 N 0.93 0.77 -0.73 4.20 0.02 -0.32 -0.10 113.55 118.33 3mcx h SER 143 Ca 0.26 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3mcx h SER 143 Cb -0.10 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 3mcx h SER 143 CO -0.06 0.86 0.45 -0.33 -1.14 0.00 0.00 176.83 176.61 3mcx h GLU 144 N 0.65 0.98 -0.90 3.45 5.08 -0.92 -1.25 114.58 121.68 3mcx h GLU 144 Ca 0.14 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3mcx h GLU 144 Cb 0.44 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3mcx h GLU 144 CO 0.02 0.68 0.58 0.00 -1.00 0.00 0.00 179.01 179.29 3mcx h ALA 145 N 1.24 1.18 -0.61 3.43 0.00 -0.98 -2.74 119.26 120.77 3mcx h ALA 145 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3mcx h ALA 145 Cb -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3mcx h ALA 145 CO -0.05 0.46 0.31 -0.07 0.00 0.00 0.00 179.25 179.89 3mcx h LEU 146 N 1.14 0.79 -1.73 0.00 3.38 -0.59 0.12 115.31 118.42 3mcx h LEU 146 Ca 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3mcx h LEU 146 Cb -0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3mcx h LEU 146 CO -0.11 0.69 0.00 0.52 0.09 0.00 0.00 178.44 179.63 3mcx n VAL 147 N -4.52 0.17 0.00 1.22 0.31 -0.51 -1.23 118.33 113.77 3mcx n VAL 147 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3mcx n VAL 147 Cb 0.11 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 3mcx n VAL 147 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3mcx n ARG 149 N 0.75 0.00 -0.14 5.55 0.63 0.40 -0.26 116.66 123.59 3mcx n ARG 149 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3mcx n ARG 149 Cb 0.10 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.00 3mcx n ARG 149 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3mcx h GLY 150 N 0.00 0.71 1.02 5.14 0.00 -1.43 -1.71 103.07 106.81 3mcx h GLY 150 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3mcx h GLY 150 CO 0.00 0.44 0.50 -2.00 0.00 0.00 0.00 176.54 175.47 3mcx h LEU 151 N 0.52 1.04 -0.25 3.11 5.85 -0.88 -0.57 115.31 124.12 3mcx h LEU 151 Ca 0.12 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3mcx h LEU 151 Cb 0.36 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3mcx h LEU 151 CO 0.01 0.81 0.08 0.28 -0.34 0.00 0.00 178.44 179.28 3mcx h SER 152 N 1.17 0.36 -0.76 1.25 0.02 -1.76 -0.45 113.55 113.40 3mcx h SER 152 Ca 0.30 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3mcx h SER 152 Cb -0.02 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3mcx h SER 152 CO -0.05 0.47 0.30 0.25 -1.14 0.00 0.00 176.83 176.65 3mcx h LEU 153 N 0.24 1.05 -0.30 5.07 5.85 -1.05 -1.71 115.31 124.46 3mcx h LEU 153 Ca 0.08 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3mcx h LEU 153 Cb 0.23 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3mcx h LEU 153 CO -0.00 0.94 0.08 0.15 -0.34 0.00 0.00 178.44 179.26 3mcx h PHE 154 N 1.10 0.14 -0.52 1.25 3.57 -0.81 -0.61 116.94 121.06 3mcx h PHE 154 Ca 0.25 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3mcx h PHE 154 Cb 0.22 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3mcx h PHE 154 CO 0.02 0.05 0.30 -0.91 -2.23 0.00 0.00 178.31 175.54 3mcx h ASN 155 N 0.20 0.47 -0.58 0.41 2.35 -0.69 -1.12 115.58 116.62 3mcx h ASN 155 Ca 0.14 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3mcx h ASN 155 Cb 0.13 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3mcx h ASN 155 CO -0.16 0.33 0.26 -0.07 -1.65 0.00 0.00 177.43 176.13 3mcx h LEU 156 N 0.59 0.77 -0.74 1.61 3.38 -1.05 -2.79 115.31 117.08 3mcx h LEU 156 Ca 0.22 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3mcx h LEU 156 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3mcx h LEU 156 CO -0.11 0.71 0.12 0.74 0.09 0.00 0.00 178.44 179.98 3mcx h THR 157 N 0.79 1.26 0.00 0.22 2.02 -0.66 -0.94 112.91 115.60 3mcx h THR 157 Ca 0.20 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3mcx h THR 157 Cb 0.15 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3mcx h THR 157 CO -0.02 0.38 -0.11 0.08 0.37 0.00 0.00 175.52 176.22 3mcx h ARG 158 N 1.01 0.00 0.15 6.66 0.11 -1.17 -1.42 114.38 119.72 3mcx h ARG 158 Ca 0.20 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.04 3mcx h ARG 158 Cb 0.42 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.51 3mcx h ARG 158 CO 0.01 0.11 -1.12 -0.07 0.10 0.00 0.00 179.97 179.00 3mcx h LEU 159 N 0.00 0.49 -2.06 0.08 4.07 -1.24 -3.40 115.31 113.26 3mcx h LEU 159 Ca -0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 3mcx h LEU 159 Cb 1.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.61 3mcx h LEU 159 CO 0.01 1.52 0.00 0.49 -1.08 0.00 0.00 178.44 179.38 3mcx n PHE 160 N -3.99 0.24 0.00 1.13 3.72 -0.38 -1.03 117.46 117.15 3mcx n PHE 160 Ca -0.18 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3mcx n PHE 160 Cb 0.89 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3mcx n PHE 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mcx n GLY 161 N 1.06 4.15 3.79 1.37 0.00 -0.54 -4.55 105.19 110.48 3mcx n GLY 161 Ca 0.13 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 3mcx n GLY 161 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mcx s PRO 163 N 4.34 4.05 0.25 1.61 0.02 -1.26 -4.60 135.00 139.41 3mcx s PRO 163 Ca 0.00 0.25 -0.03 0.00 0.02 0.00 0.00 61.00 61.24 3mcx s PRO 163 Cb 0.00 -3.32 0.52 0.00 0.02 0.00 0.00 34.50 31.72 3mcx s PRO 163 CO 0.00 0.46 1.68 -0.92 -0.33 0.00 0.00 177.00 177.89 3mcx h TYR 164 N 5.74 0.30 0.00 6.54 5.03 -1.97 -1.60 116.97 131.02 3mcx h TYR 164 Ca -0.47 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.89 3mcx h TYR 164 Cb 1.20 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.46 3mcx h TYR 164 CO 0.66 -0.10 0.00 0.25 -1.32 0.00 0.00 178.16 177.65 3mcx n THR 165 N -5.16 0.65 0.21 1.81 -2.24 -1.26 -0.92 114.28 107.36 3mcx n THR 165 Ca 0.16 0.16 0.04 0.00 -2.27 0.00 0.00 64.05 62.14 3mcx n THR 165 Cb 0.51 -0.85 0.44 0.00 -2.10 0.00 0.00 70.33 68.33 3mcx n THR 165 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3mcx h ASN 166 N 0.00 0.00 0.00 3.42 4.21 -1.61 -3.40 115.58 118.20 3mcx h ASN 166 Ca 0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 3mcx h ASN 166 Cb 0.26 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.34 3mcx h ASN 166 CO 0.00 0.27 -0.25 -0.90 -1.29 0.00 0.00 177.43 175.26 3mcx n ASP 167 N -4.19 -0.86 -4.10 5.81 5.75 -0.96 -4.99 116.55 113.00 3mcx n ASP 167 Ca -0.02 -1.79 -0.34 0.00 -0.01 0.00 0.00 54.79 52.63 3mcx n ASP 167 Cb 0.32 0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3mcx n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mcx n LYS 168 N 0.00 -4.19 -1.89 0.11 4.76 -0.31 -1.56 118.16 115.09 3mcx n LYS 168 Ca -0.24 0.47 -0.17 0.00 -2.87 0.00 0.00 58.31 55.50 3mcx n LYS 168 Cb 0.65 -5.27 -0.04 0.00 -1.84 0.00 0.00 35.03 28.53 3mcx n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mcx n GLY 169 N -1.52 0.72 0.23 0.72 0.00 -0.10 -4.58 105.19 100.66 3mcx n GLY 169 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3mcx n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcx h ALA 170 N 0.39 1.32 -2.28 4.61 0.00 -1.57 0.27 119.26 122.00 3mcx h ALA 170 Ca -0.38 -0.29 -0.45 0.00 0.00 0.00 0.00 54.91 53.80 3mcx h ALA 170 Cb 1.20 -0.10 0.15 0.00 0.00 0.00 0.00 17.79 19.04 3mcx h ALA 170 CO 0.50 0.46 0.31 -1.54 0.00 0.00 0.00 179.25 178.98 3mcx s SER 171 N -6.86 2.97 0.20 0.00 1.04 -1.26 -4.69 113.70 105.10 3mcx s SER 171 Ca -0.05 0.69 -0.30 0.00 0.48 0.00 0.00 55.95 56.76 3mcx s SER 171 Cb 0.15 -1.04 -0.08 0.00 0.10 0.00 0.00 66.02 65.14 3mcx s SER 171 CO 0.75 -2.86 1.20 -0.76 0.98 0.00 0.00 173.24 172.56 3mcx s LEU 172 N -6.13 4.45 0.00 2.42 1.43 -1.26 -0.43 118.68 119.16 3mcx s LEU 172 Ca 0.68 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 3mcx s LEU 172 Cb -0.10 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3mcx s LEU 172 CO 0.53 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3mcx n GLY 173 N 2.09 0.45 3.38 -3.19 0.00 0.13 -4.46 105.19 103.58 3mcx n GLY 173 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3mcx n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mcx s VAL 174 N 3.31 0.70 0.37 1.61 -7.23 -1.23 -4.72 120.40 113.20 3mcx s VAL 174 Ca 0.00 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 3mcx s VAL 174 Cb 0.00 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 3mcx s VAL 174 CO 0.00 0.00 1.29 -2.84 -0.31 0.00 0.00 175.10 173.24 3mcx s PRO 175 N -3.93 4.18 -0.25 4.82 0.02 -1.26 -1.78 135.00 136.80 3mcx s PRO 175 Ca 0.36 2.16 -0.08 0.00 0.02 0.00 0.00 61.00 63.46 3mcx s PRO 175 Cb 0.07 -2.92 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 3mcx s PRO 175 CO 0.15 -0.32 0.10 0.42 -0.33 0.00 0.00 177.00 177.02 3mcx s ILE 176 N -1.21 4.54 -0.19 2.83 1.01 -1.26 -4.91 121.20 122.01 3mcx s ILE 176 Ca 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 3mcx s ILE 176 Cb -0.38 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3mcx s ILE 176 CO 0.50 0.32 -0.13 -1.61 0.00 0.00 0.00 174.94 174.02 3mcx s GLU 177 N 1.63 3.18 -0.03 2.79 2.02 -1.26 -4.98 118.70 122.05 3mcx s GLU 177 Ca 0.06 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.36 3mcx s GLU 177 Cb -0.15 -2.74 0.07 0.00 0.10 0.00 0.00 34.13 31.41 3mcx s GLU 177 CO 0.05 -0.15 0.94 0.25 0.02 0.00 0.00 175.26 176.37 3mcx n THR 178 N 4.55 0.90 -3.95 3.63 -2.24 -1.26 -4.98 114.28 110.94 3mcx n THR 178 Ca -0.20 -1.00 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 3mcx n THR 178 Cb 0.51 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3mcx n THR 178 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mcx s SER 179 N -1.26 0.15 0.46 3.42 1.04 -1.26 -4.99 113.70 111.26 3mcx s SER 179 Ca 0.08 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 3mcx s SER 179 Cb 0.07 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 3mcx s SER 179 CO 0.01 -0.77 1.09 -2.65 0.98 0.00 0.00 173.24 171.89 3mcx n PRO 180 N -0.10 1.44 -1.67 4.02 -0.02 -1.26 -4.78 135.00 132.62 3mcx n PRO 180 Ca -0.11 0.52 -0.47 0.00 -2.02 0.00 0.00 63.50 61.42 3mcx n PRO 180 Cb 0.63 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3mcx n PRO 180 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3mcx n SER 181 N 0.11 3.16 -4.48 2.55 7.64 -1.26 -4.94 113.62 116.40 3mcx n SER 181 Ca 0.09 1.04 -0.43 0.00 1.01 0.00 0.00 58.87 60.59 3mcx n SER 181 Cb 0.41 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 3mcx n SER 181 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mcx s ASP 182 N 2.19 6.50 0.00 6.43 -1.08 -1.26 -4.91 116.67 124.54 3mcx s ASP 182 Ca 0.85 -1.67 0.29 0.00 -0.52 0.00 0.00 52.55 51.51 3mcx s ASP 182 Cb -0.70 -2.45 1.30 0.00 -1.46 0.00 0.00 42.92 39.61 3mcx s ASP 182 CO 0.44 -1.26 1.94 -0.81 0.52 0.00 0.00 175.17 176.00 3mcx n PRO 183 N 7.37 0.27 0.18 4.34 -0.04 -1.26 -1.27 135.00 144.59 3mcx n PRO 183 Ca 0.20 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 3mcx n PRO 183 Cb 0.49 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.77 3mcx n PRO 183 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3mcx h THR 184 N 0.08 1.11 -3.74 0.52 2.02 -2.03 -3.45 112.91 107.42 3mcx h THR 184 Ca 0.00 -1.56 -0.68 0.00 0.77 0.00 0.00 66.41 64.94 3mcx h THR 184 Cb 0.39 1.89 -0.32 0.00 -1.74 0.00 0.00 68.15 68.37 3mcx h THR 184 CO 0.00 0.42 -0.69 -1.00 0.37 0.00 0.00 175.52 174.61 3mcx s HIS 185 N -3.79 3.24 -0.67 3.16 3.76 -0.39 -5.04 115.29 115.55 3mcx s HIS 185 Ca -0.01 -1.78 -0.27 0.00 -0.15 0.00 0.00 55.06 52.86 3mcx s HIS 185 Cb 0.12 -2.12 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 3mcx s HIS 185 CO 0.71 -0.78 1.63 -1.59 -0.85 0.00 0.00 174.74 173.85 3mcx s LYS 186 N 1.28 2.86 1.05 1.40 0.00 -1.26 -4.87 119.74 120.20 3mcx s LYS 186 Ca -0.04 0.23 -0.17 0.00 0.00 0.00 0.00 55.97 55.99 3mcx s LYS 186 Cb -0.19 -4.34 0.23 0.00 0.00 0.00 0.00 37.83 33.53 3mcx s LYS 186 CO -0.01 -2.51 1.23 -2.14 0.00 0.00 0.00 175.35 171.92 3mcx s PRO 187 N 6.50 -0.02 0.33 1.78 0.02 -1.26 -4.89 135.00 137.46 3mcx s PRO 187 Ca 0.54 -0.22 0.09 0.00 0.02 0.00 0.00 61.00 61.43 3mcx s PRO 187 Cb -0.10 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 3mcx s PRO 187 CO 0.17 -2.88 0.01 -1.12 -0.33 0.00 0.00 177.00 172.85 3mcx s SER 188 N -4.45 4.23 0.17 2.53 0.01 -1.26 -4.49 113.70 110.43 3mcx s SER 188 Ca 0.72 -0.95 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 3mcx s SER 188 Cb -0.07 -0.56 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 3mcx s SER 188 CO 0.54 -0.21 1.39 -0.13 0.41 0.00 0.00 173.24 175.24 3mcx s ARG 189 N -3.71 4.33 0.72 12.44 0.52 -1.26 -4.18 118.95 127.80 3mcx s ARG 189 Ca 0.35 2.12 -0.09 0.00 -0.52 0.00 0.00 55.73 57.58 3mcx s ARG 189 Cb -0.01 -3.20 0.05 0.00 0.52 0.00 0.00 34.95 32.30 3mcx s ARG 189 CO 0.19 -0.39 1.07 -1.12 0.02 0.00 0.00 175.30 175.08 3mcx s SER 190 N 0.75 5.01 0.75 0.23 0.01 -0.73 -4.84 113.70 114.88 3mcx s SER 190 Ca 0.62 0.78 -0.11 0.00 1.31 0.00 0.00 55.95 58.55 3mcx s SER 190 Cb -0.38 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.42 3mcx s SER 190 CO 0.35 -1.54 1.08 0.42 0.41 0.00 0.00 173.24 173.95 3mcx s THR 191 N -3.34 3.55 0.25 1.44 -4.23 -1.26 0.21 115.64 112.26 3mcx s THR 191 Ca 0.59 0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 61.57 3mcx s THR 191 Cb -0.11 -3.17 0.22 0.00 1.34 0.00 0.00 72.50 70.78 3mcx s THR 191 CO 0.48 -0.66 1.78 0.58 -0.54 0.00 0.00 174.62 176.26 3mcx h VAL 192 N -0.96 0.80 -0.63 2.29 2.07 -0.54 -0.75 116.25 118.52 3mcx h VAL 192 Ca -0.45 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3mcx h VAL 192 Cb 1.23 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3mcx h VAL 192 CO 0.56 0.12 0.11 0.00 0.02 0.00 0.00 177.57 178.38 3mcx h ALA 193 N 1.50 0.84 -0.74 1.67 0.00 -1.19 -0.02 119.26 121.32 3mcx h ALA 193 Ca 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mcx h ALA 193 Cb 0.51 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3mcx h ALA 193 CO -0.31 0.59 0.39 1.96 0.00 0.00 0.00 179.25 181.88 3mcx h GLN 194 N 0.95 1.04 -0.06 0.00 4.20 -1.66 -0.28 115.11 119.31 3mcx h GLN 194 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3mcx h GLN 194 Cb 0.42 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3mcx h GLN 194 CO 0.01 0.77 0.01 0.00 -0.67 0.00 0.00 178.83 178.95 3mcx h TYR 196 N -0.15 1.08 -0.75 0.00 -1.99 -0.70 -0.93 116.97 113.53 3mcx h TYR 196 Ca 0.02 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.84 3mcx h TYR 196 Cb 0.27 -0.36 -0.06 0.00 2.00 0.00 0.00 36.73 38.58 3mcx h TYR 196 CO 0.01 0.66 0.43 0.93 -0.00 0.00 0.00 178.16 180.19 3mcx h GLU 197 N 1.14 0.76 -0.28 4.88 5.08 -0.87 -0.39 114.58 124.91 3mcx h GLU 197 Ca 0.33 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.49 3mcx h GLU 197 Cb -0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3mcx h GLU 197 CO -0.09 0.51 -0.44 0.37 -1.00 0.00 0.00 179.01 178.36 3mcx h GLN 198 N 0.79 0.71 0.11 2.33 5.75 -0.76 -0.89 115.11 123.14 3mcx h GLN 198 Ca 0.33 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3mcx h GLN 198 Cb 0.20 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 3mcx h GLN 198 CO -0.19 1.01 -0.08 0.28 -2.65 0.00 0.00 178.83 177.21 3mcx h VAL 199 N 0.57 0.83 -0.66 2.39 2.07 -0.72 -0.67 116.25 120.06 3mcx h VAL 199 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3mcx h VAL 199 Cb 0.99 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3mcx h VAL 199 CO 0.09 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.68 3mcx h VAL 200 N -0.19 1.18 -0.16 2.57 2.07 -1.00 -2.86 116.25 117.86 3mcx h VAL 200 Ca -0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3mcx h VAL 200 Cb 0.16 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3mcx h VAL 200 CO 0.00 0.18 0.10 0.28 0.02 0.00 0.00 177.57 178.15 3mcx h SER 201 N 0.89 0.19 0.00 0.57 0.02 -0.97 -0.20 113.55 114.05 3mcx h SER 201 Ca 0.24 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3mcx h SER 201 Cb -0.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3mcx h SER 201 CO -0.05 0.17 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 3mcx n ASP 202 N -4.96 0.00 0.00 3.07 8.00 -0.28 -0.47 116.55 121.92 3mcx n ASP 202 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3mcx n ASP 202 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3mcx n ASP 202 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mcx n SER 204 N 0.28 0.00 0.25 -2.24 7.64 -0.09 -1.98 113.62 117.48 3mcx n SER 204 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 3mcx n SER 204 Cb 0.00 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 63.83 3mcx n SER 204 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3mcx h ASN 205 N 0.00 0.00 0.54 6.43 2.35 -0.99 -2.69 115.58 121.21 3mcx h ASN 205 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3mcx h ASN 205 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3mcx h ASN 205 CO 0.00 0.17 -0.55 0.00 -1.65 0.00 0.00 177.43 175.40 3mcx h ALA 206 N 1.83 1.08 -0.59 -0.83 0.00 -1.62 -3.40 119.26 115.74 3mcx h ALA 206 Ca -0.00 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.48 3mcx h ALA 206 Cb 0.44 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3mcx h ALA 206 CO 0.02 0.69 0.24 -0.07 0.00 0.00 0.00 179.25 180.14 3mcx h LEU 207 N 0.01 0.28 -1.75 0.00 3.38 -1.77 -1.84 115.31 113.61 3mcx h LEU 207 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3mcx h LEU 207 Cb 0.98 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3mcx h LEU 207 CO 0.07 0.18 -0.03 0.77 0.09 0.00 0.00 178.44 179.52 3mcx h SER 208 N 0.45 0.00 0.57 -0.43 4.64 -1.80 -2.58 113.55 114.40 3mcx h SER 208 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3mcx h SER 208 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3mcx h SER 208 CO -0.26 0.03 -0.58 0.61 -0.87 0.00 0.00 176.83 175.76 3mcx n GLY 209 N -0.23 -1.28 3.84 -0.77 0.00 -0.70 -4.97 105.19 101.09 3mcx n GLY 209 Ca -0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3mcx n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcx s LEU 210 N -3.37 3.55 0.49 0.99 1.43 -0.97 -3.84 118.68 116.97 3mcx s LEU 210 Ca 0.09 1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 3mcx s LEU 210 Cb 0.16 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 3mcx s LEU 210 CO 0.72 -0.67 1.32 -0.13 0.23 0.00 0.00 176.35 177.82 3mcx s ARG 211 N -4.25 3.48 0.11 1.70 0.52 -1.26 -4.63 118.95 114.62 3mcx s ARG 211 Ca 0.59 2.16 0.18 0.00 -0.52 0.00 0.00 55.73 58.13 3mcx s ARG 211 Cb -0.10 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.85 3mcx s ARG 211 CO 0.35 -0.89 0.94 1.96 0.02 0.00 0.00 175.30 177.68 3mcx h GLN 212 N 1.91 0.00 -7.40 3.54 1.08 -1.96 0.11 115.11 112.39 3mcx h GLN 212 Ca -0.50 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.19 3mcx h GLN 212 Cb 1.28 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.77 3mcx h GLN 212 CO 0.59 0.26 0.41 -1.21 -0.95 0.00 0.00 178.83 177.93 3mcx s GLU 213 N -3.01 3.29 0.37 1.46 0.41 -1.26 -4.87 118.70 115.09 3mcx s GLU 213 Ca -0.02 0.61 -0.27 0.00 -0.41 0.00 0.00 54.97 54.88 3mcx s GLU 213 Cb 0.09 -2.06 -0.12 0.00 -1.78 0.00 0.00 34.13 30.26 3mcx s GLU 213 CO 0.80 -0.75 1.29 -2.37 -0.49 0.00 0.00 175.26 173.73 3mcx n THR 214 N -2.84 2.15 -3.35 3.63 5.66 -1.26 -4.86 114.28 113.40 3mcx n THR 214 Ca 0.06 -0.50 -0.26 0.00 -3.05 0.00 0.00 64.05 60.30 3mcx n THR 214 Cb 0.55 -1.58 -0.09 0.00 -1.55 0.00 0.00 70.33 67.66 3mcx n THR 214 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3mcx n SER 215 N 0.61 -0.33 -4.63 1.09 7.64 -1.26 -5.11 113.62 111.63 3mcx n SER 215 Ca 0.05 -2.44 -0.43 0.00 1.01 0.00 0.00 58.87 57.06 3mcx n SER 215 Cb 0.37 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 3mcx n SER 215 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3mcx s ASN 216 N -0.20 6.04 0.00 6.43 0.01 -1.26 -2.19 114.94 123.77 3mcx s ASN 216 Ca 0.33 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.60 3mcx s ASN 216 Cb 0.07 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.20 3mcx s ASN 216 CO -0.18 -1.46 0.00 0.61 -1.51 0.00 0.00 177.10 174.56 3mcx n GLY 217 N 5.05 0.46 3.42 0.66 0.00 -1.13 -4.99 105.19 108.65 3mcx n GLY 217 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3mcx n GLY 217 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mcx s TYR 218 N -2.00 0.80 -0.17 1.61 -0.85 -0.93 -4.65 117.35 111.16 3mcx s TYR 218 Ca 0.00 -1.07 -0.22 0.00 -0.52 0.00 0.00 57.07 55.26 3mcx s TYR 218 Cb 0.00 -0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 3mcx s TYR 218 CO 0.00 -0.87 0.65 0.42 -1.52 0.00 0.00 175.55 174.23 3mcx s ILE 219 N -3.94 5.02 0.34 -3.49 1.01 -1.26 -4.74 121.20 114.14 3mcx s ILE 219 Ca 0.30 1.26 0.02 0.00 0.00 0.00 0.00 60.65 62.23 3mcx s ILE 219 Cb 0.02 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.54 3mcx s ILE 219 CO 0.12 0.13 0.15 -0.46 0.00 0.00 0.00 174.94 174.89 3mcx n ASN 220 N 4.80 2.42 -0.22 3.58 6.94 -1.26 -4.65 115.26 126.87 3mcx n ASN 220 Ca -0.01 -2.28 -0.03 0.00 -0.02 0.00 0.00 54.58 52.24 3mcx n ASN 220 Cb 0.50 0.08 0.08 0.00 -2.36 0.00 0.00 39.78 38.08 3mcx n ASN 220 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 3mcx h TYR 221 N 0.83 0.68 -0.50 -2.53 5.03 -1.23 -1.50 116.97 117.76 3mcx h TYR 221 Ca -0.24 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.05 3mcx h TYR 221 Cb 0.81 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 3mcx h TYR 221 CO 0.00 0.35 0.15 -1.49 -1.32 0.00 0.00 178.16 175.85 3mcx h TRP 222 N 0.70 0.81 -0.43 -3.82 4.06 -1.90 -0.95 115.95 114.42 3mcx h TRP 222 Ca 0.28 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 61.14 3mcx h TRP 222 Cb 0.13 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 3mcx h TRP 222 CO -0.07 0.71 0.28 0.00 -3.56 0.00 0.00 178.44 175.80 3mcx h ALA 223 N 1.01 0.55 -0.62 1.49 0.00 -1.69 -0.93 119.26 119.06 3mcx h ALA 223 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3mcx h ALA 223 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3mcx h ALA 223 CO -0.00 0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.46 3mcx h ALA 224 N 1.14 0.81 -0.47 0.00 0.00 -0.96 0.81 119.26 120.59 3mcx h ALA 224 Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3mcx h ALA 224 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3mcx h ALA 224 CO -0.03 0.48 -0.12 1.96 0.00 0.00 0.00 179.25 181.54 3mcx h GLN 225 N 0.89 0.86 -0.28 0.00 1.08 -1.09 0.13 115.11 116.70 3mcx h GLN 225 Ca 0.20 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3mcx h GLN 225 Cb 0.29 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3mcx h GLN 225 CO -0.01 0.94 0.18 0.00 -0.95 0.00 0.00 178.83 178.99 3mcx h ALA 226 N 1.09 0.35 -0.67 3.87 0.00 -0.86 -0.70 119.26 122.34 3mcx h ALA 226 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mcx h ALA 226 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3mcx h ALA 226 CO 0.04 -0.18 0.15 -0.07 0.00 0.00 0.00 179.25 179.19 3mcx h LEU 227 N 0.37 1.01 -1.42 0.00 3.38 -0.63 -1.80 115.31 116.23 3mcx h LEU 227 Ca 0.10 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3mcx h LEU 227 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3mcx h LEU 227 CO -0.03 0.98 0.40 -0.07 0.09 0.00 0.00 178.44 179.82 3mcx h LEU 228 N 1.01 0.68 -1.02 1.67 3.38 -0.61 0.12 115.31 120.53 3mcx h LEU 228 Ca 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3mcx h LEU 228 Cb 0.37 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3mcx h LEU 228 CO 0.00 0.48 0.44 0.77 0.09 0.00 0.00 178.44 180.22 3mcx h SER 229 N 0.79 1.01 -0.15 -0.43 4.64 -0.27 0.45 113.55 119.59 3mcx h SER 229 Ca 0.23 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3mcx h SER 229 Cb -0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 3mcx h SER 229 CO -0.05 0.81 0.02 -0.09 -0.87 0.00 0.00 176.83 176.65 3mcx h ARG 230 N 1.13 0.25 0.35 4.77 2.43 -0.98 -1.73 114.38 120.59 3mcx h ARG 230 Ca 0.28 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3mcx h ARG 230 Cb 0.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3mcx h ARG 230 CO -0.05 0.43 -0.20 0.28 -1.51 0.00 0.00 179.97 178.93 3mcx h VAL 231 N 0.03 0.59 -0.94 0.20 2.07 -0.62 -2.62 116.25 114.96 3mcx h VAL 231 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3mcx h VAL 231 Cb 0.31 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3mcx h VAL 231 CO 0.00 0.00 0.61 1.88 0.02 0.00 0.00 177.57 180.09 3mcx h TYR 232 N -0.51 1.16 -0.68 1.57 0.05 -0.97 -2.47 116.97 115.11 3mcx h TYR 232 Ca -0.04 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.80 3mcx h TYR 232 Cb 0.41 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3mcx h TYR 232 CO -0.08 0.69 0.42 1.25 -1.05 0.00 0.00 178.16 179.39 3mcx h LEU 233 N 1.21 0.69 -3.93 3.88 5.85 -1.22 -0.91 115.31 120.88 3mcx h LEU 233 Ca 0.36 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 3mcx h LEU 233 Cb -0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3mcx h LEU 233 CO -0.10 0.48 -0.18 0.59 -0.34 0.00 0.00 178.44 178.89 3mcx n ASN 234 N -4.68 4.37 -0.46 1.25 3.02 -0.93 -4.42 115.26 113.40 3mcx n ASN 234 Ca 0.07 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 3mcx n ASN 234 Cb 0.08 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3mcx n ASN 234 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mcx n GLY 236 N 2.34 0.83 3.06 7.41 0.00 -0.87 -4.14 105.19 113.82 3mcx n GLY 236 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3mcx n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mcx n GLU 237 N 0.00 3.46 -0.12 1.61 -0.58 -0.40 -4.86 120.64 119.75 3mcx n GLU 237 Ca 0.00 -3.52 -0.11 0.00 -0.42 0.00 0.00 57.16 53.11 3mcx n GLU 237 Cb 0.54 -3.02 -0.03 0.00 -0.57 0.00 0.00 31.44 28.37 3mcx n GLU 237 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 3mcx h TYR 238 N 6.25 0.66 -0.42 -0.32 0.05 -1.90 0.16 116.97 121.46 3mcx h TYR 238 Ca 0.39 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3mcx h TYR 238 Cb 0.71 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 3mcx h TYR 238 CO 1.24 0.72 0.27 0.37 -1.05 0.00 0.00 178.16 179.70 3mcx h GLN 239 N 0.41 0.56 -0.61 4.88 5.75 -1.89 0.46 115.11 124.67 3mcx h GLN 239 Ca 0.09 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3mcx h GLN 239 Cb 0.46 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 3mcx h GLN 239 CO 0.02 0.39 0.12 0.87 -2.65 0.00 0.00 178.83 177.57 3mcx h LYS 240 N 0.56 0.98 -0.47 1.69 1.57 -1.90 0.37 116.57 119.36 3mcx h LYS 240 Ca 0.15 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3mcx h LYS 240 Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3mcx h LYS 240 CO -0.03 0.89 0.29 0.00 -0.57 0.00 0.00 179.45 180.03 3mcx h ALA 241 N 1.20 0.60 -0.44 3.86 0.00 -0.71 -1.80 119.26 121.96 3mcx h ALA 241 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3mcx h ALA 241 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3mcx h ALA 241 CO 0.01 0.08 0.22 -0.92 0.00 0.00 0.00 179.25 178.64 3mcx h TYR 242 N 0.63 0.63 -0.49 0.00 3.20 -0.50 -0.51 116.97 119.94 3mcx h TYR 242 Ca 0.17 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3mcx h TYR 242 Cb -0.02 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3mcx h TYR 242 CO -0.03 0.50 0.30 -0.44 -1.64 0.00 0.00 178.16 176.85 3mcx h ASP 243 N 0.57 0.58 -0.19 -2.11 3.32 -0.80 0.15 116.42 117.94 3mcx h ASP 243 Ca 0.15 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3mcx h ASP 243 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3mcx h ASP 243 CO -0.02 0.45 0.04 0.00 -1.72 0.00 0.00 179.24 177.99 3mcx h ALA 244 N 1.15 0.26 -0.37 3.45 0.00 -1.19 -1.30 119.26 121.26 3mcx h ALA 244 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3mcx h ALA 244 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mcx h ALA 244 CO -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.25 3mcx h ALA 245 N 0.84 0.48 0.00 0.00 0.00 -1.00 -2.86 119.26 116.73 3mcx h ALA 245 Ca 0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3mcx h ALA 245 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3mcx h ALA 245 CO 0.00 0.12 -0.38 1.79 0.00 0.00 0.00 179.25 180.78 3mcx h THR 246 N 0.45 1.00 -0.21 0.00 1.35 -0.93 -1.41 112.91 113.17 3mcx h THR 246 Ca 0.12 -1.43 0.04 0.00 -0.55 0.00 0.00 66.41 64.59 3mcx h THR 246 Cb 0.24 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 3mcx h THR 246 CO -0.00 0.37 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.83 3mcx h ASP 247 N 0.00 -0.13 -0.12 5.36 3.58 -1.05 0.11 116.42 124.17 3mcx h ASP 247 Ca -0.00 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 3mcx h ASP 247 Cb 0.80 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3mcx h ASP 247 CO 0.05 -0.04 0.07 0.58 -2.88 0.00 0.00 179.24 177.02 3mcx h VAL 248 N 0.04 1.08 -0.22 2.25 2.07 -1.19 -0.27 116.25 120.01 3mcx h VAL 248 Ca 0.10 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3mcx h VAL 248 Cb 0.14 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3mcx h VAL 248 CO -0.19 0.07 0.12 0.40 0.02 0.00 0.00 177.57 178.00 3mcx h ILE 249 N 0.11 1.11 0.03 4.57 2.04 -1.10 -2.95 117.51 121.31 3mcx h ILE 249 Ca 0.04 -0.29 -0.26 0.00 1.00 0.00 0.00 64.86 65.35 3mcx h ILE 249 Cb 0.06 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3mcx h ILE 249 CO -0.01 0.11 -1.37 0.11 0.00 0.00 0.00 178.15 176.99 3mcx h LYS 250 N 0.25 0.06 -0.05 2.37 1.57 -0.76 -3.40 116.57 116.60 3mcx h LYS 250 Ca 0.08 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mcx h LYS 250 Cb 0.06 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3mcx h LYS 250 CO -0.01 0.85 0.00 0.09 -0.57 0.00 0.00 179.45 179.81 3mcx n ASN 251 N -3.27 1.76 0.17 0.86 3.02 -0.12 -4.67 115.26 113.01 3mcx n ASN 251 Ca -0.10 -1.44 0.13 0.00 -0.03 0.00 0.00 54.58 53.14 3mcx n ASN 251 Cb 1.00 -0.03 0.59 0.00 -0.61 0.00 0.00 39.78 40.74 3mcx n ASN 251 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mcx h ASN 252 N 1.16 0.00 -0.73 6.41 7.08 -1.65 -3.46 115.58 124.39 3mcx h ASN 252 Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 3mcx h ASN 252 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 3mcx h ASN 252 CO 0.00 0.00 -0.04 0.61 -2.08 0.00 0.00 177.43 175.92 3mcx n GLY 253 N -0.50 0.55 2.35 9.14 0.00 -1.26 -3.44 105.19 112.02 3mcx n GLY 253 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 3mcx n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcx n GLY 254 N -0.83 0.73 0.21 -0.02 0.00 -1.26 -4.90 105.19 99.12 3mcx n GLY 254 Ca -0.01 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.78 3mcx n GLY 254 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mcx h ARG 255 N 0.25 0.00 -4.66 1.61 3.08 -1.97 -3.45 114.38 109.25 3mcx h ARG 255 Ca -0.10 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 3mcx h ARG 255 Cb 0.53 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.36 3mcx h ARG 255 CO 0.15 0.13 -0.75 0.71 -1.07 0.00 0.00 179.97 179.15 3mcx s TYR 256 N -3.29 0.73 -0.08 3.04 2.02 -1.26 -5.00 117.35 113.51 3mcx s TYR 256 Ca 0.05 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 3mcx s TYR 256 Cb 0.07 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.21 3mcx s TYR 256 CO 0.66 -0.05 0.28 -0.65 -1.57 0.00 0.00 175.55 174.22 3mcx s GLN 257 N -1.38 0.40 0.43 -0.62 -1.52 -0.46 -5.01 119.66 111.51 3mcx s GLN 257 Ca -0.07 0.24 -0.25 0.00 -1.95 0.00 0.00 55.36 53.32 3mcx s GLN 257 Cb -0.09 0.19 -0.08 0.00 -0.22 0.00 0.00 33.01 32.81 3mcx s GLN 257 CO 0.01 -0.07 1.36 -0.51 -0.25 0.00 0.00 175.29 175.83 3mcx s LEU 258 N -0.21 4.15 0.29 2.90 1.43 -1.26 -3.25 118.68 122.72 3mcx s LEU 258 Ca -0.03 2.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.55 3mcx s LEU 258 Cb -0.03 -3.94 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 3mcx s LEU 258 CO 0.01 -1.02 1.36 -0.31 0.23 0.00 0.00 176.35 176.62 3mcx s TYR 259 N -1.24 3.06 0.80 0.29 2.02 -1.26 -4.98 117.35 116.03 3mcx s TYR 259 Ca 0.59 1.25 -0.12 0.00 -0.37 0.00 0.00 57.07 58.43 3mcx s TYR 259 Cb -0.40 -3.72 0.07 0.00 -0.40 0.00 0.00 41.96 37.50 3mcx s TYR 259 CO 0.52 -2.17 1.10 -1.54 -1.57 0.00 0.00 175.55 171.89 3mcx s SER 260 N -0.07 4.52 0.27 2.29 1.04 -1.26 -4.89 113.70 115.60 3mcx s SER 260 Ca 0.54 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 58.19 3mcx s SER 260 Cb -0.40 -1.99 0.35 0.00 0.10 0.00 0.00 66.02 64.08 3mcx s SER 260 CO 0.48 -1.95 1.92 0.22 0.98 0.00 0.00 173.24 174.89 3mcx h TYR 261 N -1.07 1.20 -0.49 5.02 5.03 -1.89 -1.56 116.97 123.21 3mcx h TYR 261 Ca -0.47 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 60.75 3mcx h TYR 261 Cb 1.27 -0.40 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 3mcx h TYR 261 CO 0.46 0.71 -0.18 0.93 -1.32 0.00 0.00 178.16 178.76 3mcx h GLU 262 N 1.26 0.98 0.00 1.82 3.07 -1.93 -3.16 114.58 116.62 3mcx h GLU 262 Ca 0.38 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3mcx h GLU 262 Cb -0.03 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3mcx h GLU 262 CO -0.11 1.07 -0.68 -0.85 -1.40 0.00 0.00 179.01 177.04 3mcx n GLU 263 N -4.12 0.24 -0.29 2.33 0.28 -1.07 -4.44 120.64 113.58 3mcx n GLU 263 Ca 0.01 0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.12 3mcx n GLU 263 Cb 0.44 -1.64 0.21 0.00 1.43 0.00 0.00 31.44 31.88 3mcx n GLU 263 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3mcx h TYR 264 N 0.00 0.73 0.00 -1.84 3.20 -1.25 -0.64 116.97 117.17 3mcx h TYR 264 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3mcx h TYR 264 Cb 0.70 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 3mcx h TYR 264 CO 0.00 0.18 -0.10 -1.35 -1.64 0.00 0.00 178.16 175.25 3mcx h PRO 265 N 0.61 0.00 0.00 1.82 0.11 -1.78 -3.26 132.00 129.50 3mcx h PRO 265 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3mcx h PRO 265 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3mcx h PRO 265 CO -0.35 0.10 -1.19 0.09 -0.21 0.00 0.00 178.00 176.44 3mcx n ASN 266 N -3.49 0.56 0.18 -2.05 5.03 -0.26 -4.29 115.26 110.94 3mcx n ASN 266 Ca -0.01 -0.18 0.06 0.00 0.87 0.00 0.00 54.58 55.32 3mcx n ASN 266 Cb 0.25 0.98 0.25 0.00 -1.02 0.00 0.00 39.78 40.24 3mcx n ASN 266 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 3mcx h VAL 267 N 0.00 0.74 -2.87 2.41 -1.51 -1.57 -3.44 116.25 110.02 3mcx h VAL 267 Ca 0.00 -1.64 -0.53 0.00 -1.23 0.00 0.00 66.70 63.30 3mcx h VAL 267 Cb 0.79 2.07 0.02 0.00 -2.13 0.00 0.00 31.29 32.03 3mcx h VAL 267 CO 0.00 0.36 0.84 0.26 -1.23 0.00 0.00 177.57 177.80 3mcx s TRP 268 N -3.36 2.92 0.00 5.19 0.52 -1.26 -1.64 118.94 121.30 3mcx s TRP 268 Ca 0.02 0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.85 3mcx s TRP 268 Cb 0.09 -3.79 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 3mcx s TRP 268 CO 0.69 -2.94 0.00 0.41 0.02 0.00 0.00 176.95 175.14 3mcx n GLY 269 N 3.70 3.06 3.76 0.98 0.00 -1.25 -4.74 105.19 110.70 3mcx n GLY 269 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3mcx n GLY 269 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mcx s GLN 270 N -0.55 4.49 0.30 1.61 -1.52 -0.65 -3.30 119.66 120.04 3mcx s GLN 270 Ca 0.00 1.06 -0.29 0.00 -1.95 0.00 0.00 55.36 54.18 3mcx s GLN 270 Cb 0.00 -3.32 -0.10 0.00 -0.22 0.00 0.00 33.01 29.37 3mcx s GLN 270 CO 0.00 0.41 1.27 -0.51 -0.25 0.00 0.00 175.29 176.21 3mcx s ASP 271 N -0.50 6.87 -1.29 5.90 1.11 -1.26 -4.26 116.67 123.24 3mcx s ASP 271 Ca 0.37 2.58 -0.05 0.00 0.18 0.00 0.00 52.55 55.62 3mcx s ASP 271 Cb -0.21 -2.64 -0.00 0.00 1.07 0.00 0.00 42.92 41.13 3mcx s ASP 271 CO 0.24 -0.47 0.64 0.49 1.18 0.00 0.00 175.17 177.24 3mcx n PHE 272 N 1.14 -1.84 -1.82 4.23 3.72 -1.26 -4.97 117.46 116.65 3mcx n PHE 272 Ca 0.01 0.72 -0.29 0.00 -0.05 0.00 0.00 57.45 57.84 3mcx n PHE 272 Cb 0.42 -3.95 0.12 0.00 -0.94 0.00 0.00 39.48 35.13 3mcx n PHE 272 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3mcx s GLN 273 N -6.10 1.48 0.55 -1.08 -1.52 -1.26 -4.91 119.66 106.83 3mcx s GLN 273 Ca 0.13 0.03 0.36 0.00 -1.95 0.00 0.00 55.36 53.93 3mcx s GLN 273 Cb -0.04 -1.90 1.77 0.00 -0.22 0.00 0.00 33.01 32.61 3mcx s GLN 273 CO 0.85 -1.91 2.10 0.66 -0.25 0.00 0.00 175.29 176.73 3mcx h SER 274 N -1.29 0.00 0.91 5.90 4.64 -1.93 -1.14 113.55 120.64 3mcx h SER 274 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3mcx h SER 274 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3mcx h SER 274 CO 0.59 0.00 -0.85 -0.33 -0.87 0.00 0.00 176.83 175.37 3mcx h GLU 275 N 0.00 0.00 -6.29 4.77 5.08 -1.91 -1.22 114.58 115.01 3mcx h GLU 275 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3mcx h GLU 275 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3mcx h GLU 275 CO 0.00 0.00 0.90 -1.12 -1.00 0.00 0.00 179.01 177.79 3mcx s SER 276 N -4.80 6.85 -0.23 1.42 0.01 -0.43 -0.34 113.70 116.18 3mcx s SER 276 Ca 0.03 2.01 0.06 0.00 1.31 0.00 0.00 55.95 59.36 3mcx s SER 276 Cb 0.11 -2.55 -0.20 0.00 0.21 0.00 0.00 66.02 63.59 3mcx s SER 276 CO 0.76 -0.76 -0.08 0.18 0.41 0.00 0.00 173.24 173.75 3mcx n LEU 277 N 6.04 2.12 -3.70 2.44 4.77 -0.33 -4.90 117.00 123.45 3mcx n LEU 277 Ca 0.14 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3mcx n LEU 277 Cb 0.44 -0.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 3mcx n LEU 277 CO 0.58 0.80 -0.21 0.12 -1.33 0.00 0.00 177.39 177.36 3mcx s PHE 278 N -2.52 -0.22 -0.11 -1.77 5.36 -1.09 -4.41 117.98 113.21 3mcx s PHE 278 Ca -0.27 0.64 -0.06 0.00 -0.96 0.00 0.00 56.93 56.29 3mcx s PHE 278 Cb 0.08 -0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.66 3mcx s PHE 278 CO 0.68 -0.25 0.26 -2.00 -1.46 0.00 0.00 175.22 172.46 3mcx s GLU 279 N 1.86 0.23 -0.01 10.12 2.12 -1.26 -0.26 118.70 131.50 3mcx s GLU 279 Ca -0.02 0.55 -0.23 0.00 0.36 0.00 0.00 54.97 55.63 3mcx s GLU 279 Cb -0.12 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 3mcx s GLU 279 CO -0.06 -0.16 0.68 -0.51 -0.54 0.00 0.00 175.26 174.67 3mcx s LEU 280 N 1.22 4.39 -0.03 2.70 1.43 0.36 -2.86 118.68 125.90 3mcx s LEU 280 Ca -0.09 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.99 3mcx s LEU 280 Cb -0.10 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3mcx s LEU 280 CO -0.09 -0.00 0.90 -0.47 0.23 0.00 0.00 176.35 176.92 3mcx s TYR 281 N 0.21 3.62 -0.04 0.29 5.04 -1.26 -1.76 117.35 123.45 3mcx s TYR 281 Ca 0.36 1.56 0.04 0.00 -2.44 0.00 0.00 57.07 56.59 3mcx s TYR 281 Cb -0.19 -3.03 -0.00 0.00 0.35 0.00 0.00 41.96 39.09 3mcx s TYR 281 CO 0.19 0.00 -0.17 0.42 -1.34 0.00 0.00 175.55 174.66 3mcx s ILE 282 N 1.02 1.42 0.30 3.14 -1.09 -1.26 -4.80 121.20 119.92 3mcx s ILE 282 Ca 0.47 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 3mcx s ILE 282 Cb -0.20 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.43 3mcx s ILE 282 CO 0.24 0.41 0.19 0.42 -1.23 0.00 0.00 174.94 174.97 3mcx s THR 283 N 0.05 0.17 -0.98 2.92 -4.23 -0.84 -4.69 115.64 108.04 3mcx s THR 283 Ca -0.04 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.60 3mcx s THR 283 Cb -0.12 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.34 3mcx s THR 283 CO 0.02 0.00 1.43 0.18 -0.54 0.00 0.00 174.62 175.71 3mcx n LEU 284 N -0.55 0.03 -0.05 4.79 4.77 -1.26 -2.84 117.00 121.88 3mcx n LEU 284 Ca 0.03 0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3mcx n LEU 284 Cb 0.64 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 3mcx n LEU 284 CO 0.34 -0.29 -0.79 -0.24 -1.33 0.00 0.00 177.39 175.08 3mcx n SER 285 N -1.53 0.88 -3.62 -1.43 2.88 -1.26 -0.82 113.62 108.72 3mcx n SER 285 Ca 0.03 0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.63 3mcx n SER 285 Cb 0.15 0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 63.56 3mcx n SER 285 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3mcx s GLU 286 N -2.56 0.08 0.85 -1.46 -6.30 -1.13 -3.15 118.70 105.03 3mcx s GLU 286 Ca -0.10 0.42 -0.13 0.00 -2.50 0.00 0.00 54.97 52.65 3mcx s GLU 286 Cb 0.07 -0.64 0.04 0.00 0.00 0.00 0.00 34.13 33.61 3mcx s GLU 286 CO 0.80 -0.43 0.72 -2.30 0.02 0.00 0.00 175.26 174.08 3mcx n PRO 287 N 5.32 -0.03 -1.68 4.30 -0.02 -1.26 -1.99 135.00 139.64 3mcx n PRO 287 Ca -0.05 0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.04 3mcx n PRO 287 Cb 0.50 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3mcx n PRO 287 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mcx n SER 288 N -1.86 3.84 0.00 2.55 2.88 -1.19 -0.48 113.62 119.35 3mcx n SER 288 Ca 0.10 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 3mcx n SER 288 Cb 0.52 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 3mcx n SER 288 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mcx n GLY 289 N 4.24 0.58 7.00 0.46 0.00 0.00 -4.87 105.19 112.60 3mcx n GLY 289 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mcx n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcx n GLY 290 N -2.83 2.18 0.10 -0.02 0.00 0.36 -1.99 105.19 102.99 3mcx n GLY 290 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.65 3mcx n GLY 290 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mcx n THR 291 N 0.00 0.00 -0.95 2.61 -2.24 -0.84 -4.39 114.28 108.47 3mcx n THR 291 Ca 0.00 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3mcx n THR 291 Cb 0.00 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 3mcx n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mcx n GLY 292 N 1.11 -2.11 0.23 3.38 0.00 -0.84 -2.03 105.19 104.93 3mcx n GLY 292 Ca 0.20 -1.41 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 3mcx n GLY 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mcx h GLY 293 N -0.34 0.37 2.00 -0.02 0.00 -1.95 -2.64 103.07 100.49 3mcx h GLY 293 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3mcx h GLY 293 CO 0.00 0.25 0.00 1.18 0.00 0.00 0.00 176.54 177.97 3mcx n GLU 294 N -4.18 0.26 -1.73 4.80 -0.58 -1.26 -4.23 120.64 113.72 3mcx n GLU 294 Ca -0.00 0.22 -0.38 0.00 -0.42 0.00 0.00 57.16 56.58 3mcx n GLU 294 Cb 0.34 -1.81 0.06 0.00 -0.57 0.00 0.00 31.44 29.47 3mcx n GLU 294 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mcx n GLY 295 N 1.27 0.60 0.29 0.62 0.00 -0.86 -4.69 105.19 102.42 3mcx n GLY 295 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3mcx n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcx h ALA 296 N 0.81 1.14 0.00 4.61 0.00 -1.39 -1.07 119.26 123.36 3mcx h ALA 296 Ca -0.51 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3mcx h ALA 296 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3mcx h ALA 296 CO 0.54 -0.19 0.00 -2.30 0.00 0.00 0.00 179.25 177.30 3mcx n PRO 297 N -4.98 0.00 0.00 0.00 -0.02 -1.26 -0.82 135.00 127.92 3mcx n PRO 297 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3mcx n PRO 297 Cb 0.44 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3mcx n PRO 297 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mcx n VAL 299 N 0.65 0.00 1.20 -1.45 0.31 -0.41 -2.09 118.33 116.55 3mcx n VAL 299 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3mcx n VAL 299 Cb 0.00 0.00 0.41 0.00 -0.91 0.00 0.00 33.84 33.34 3mcx n VAL 299 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3mcx n TYR 300 N 0.00 0.00 -1.95 3.52 4.01 0.00 -0.55 117.16 122.18 3mcx n TYR 300 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3mcx n TYR 300 Cb 0.00 -0.19 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 3mcx n TYR 300 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mcx s ALA 301 N -2.65 2.50 -0.74 -0.72 0.00 -0.89 -4.54 121.76 114.72 3mcx s ALA 301 Ca 0.21 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 3mcx s ALA 301 Cb 0.19 -3.43 0.19 0.00 0.00 0.00 0.00 23.12 20.07 3mcx s ALA 301 CO 0.56 -1.21 0.63 1.21 0.00 0.00 0.00 175.76 176.94 3mcx s ASN 302 N -1.75 6.04 0.15 0.00 3.84 -1.26 -4.65 114.94 117.32 3mcx s ASN 302 Ca 0.76 -2.83 -0.04 0.00 0.21 0.00 0.00 52.86 50.96 3mcx s ASN 302 Cb -0.29 -2.04 -0.05 0.00 -0.55 0.00 0.00 41.25 38.32 3mcx s ASN 302 CO 0.34 -0.46 0.38 -1.61 -2.79 0.00 0.00 177.10 172.96 3mcx s GLU 303 N -0.03 3.59 0.43 0.43 2.02 -1.26 -4.78 118.70 119.10 3mcx s GLU 303 Ca 0.18 -0.15 0.21 0.00 0.02 0.00 0.00 54.97 55.23 3mcx s GLU 303 Cb -0.15 -2.85 0.96 0.00 0.10 0.00 0.00 34.13 32.19 3mcx s GLU 303 CO -0.06 0.45 1.87 0.00 0.02 0.00 0.00 175.26 177.54 3mcx h ALA 304 N 2.66 1.16 -3.40 5.21 0.00 -1.97 -3.40 119.26 119.51 3mcx h ALA 304 Ca -0.46 -0.25 -0.43 0.00 0.00 0.00 0.00 54.91 53.77 3mcx h ALA 304 Cb 1.17 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.57 3mcx h ALA 304 CO 0.72 0.34 -0.78 0.99 0.00 0.00 0.00 179.25 180.52 3mcx s THR 305 N -3.91 0.60 0.16 0.00 2.01 -1.26 -4.84 115.64 108.41 3mcx s THR 305 Ca -0.01 -0.13 -0.32 0.00 0.31 0.00 0.00 61.69 61.53 3mcx s THR 305 Cb 0.12 -0.64 -0.12 0.00 0.01 0.00 0.00 72.50 71.87 3mcx s THR 305 CO 0.65 0.25 1.73 0.52 -0.69 0.00 0.00 174.62 177.09 3mcx n VAL 306 N 4.26 0.13 0.00 3.82 0.31 -1.26 -4.80 118.33 120.79 3mcx n VAL 306 Ca -0.21 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3mcx n VAL 306 Cb 0.51 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3mcx n VAL 306 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3mcx n ASP 307 N 4.45 0.00 0.12 4.52 -0.08 -1.26 -4.99 116.55 119.30 3mcx n ASP 307 Ca 0.17 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.54 3mcx n ASP 307 Cb 0.34 0.02 0.02 0.00 2.34 0.00 0.00 41.12 43.84 3mcx n ASP 307 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3mcx h TRP 308 N 0.00 0.00 -3.22 -0.67 4.06 -1.91 -3.48 115.95 110.73 3mcx h TRP 308 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 3mcx h TRP 308 Cb 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.25 3mcx h TRP 308 CO 0.00 0.12 0.81 -1.71 -3.56 0.00 0.00 178.44 174.10 3mcx n ASN 309 N -2.82 3.61 -1.15 -3.49 2.85 -1.26 -4.48 115.26 108.52 3mcx n ASN 309 Ca -0.01 1.16 -0.00 0.00 -0.11 0.00 0.00 54.58 55.62 3mcx n ASN 309 Cb 0.60 -1.56 -0.01 0.00 1.24 0.00 0.00 39.78 40.05 3mcx n ASN 309 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3mcx n ASN 310 N 1.96 0.20 -3.88 1.20 5.15 0.28 -4.90 115.26 115.28 3mcx n ASN 310 Ca 0.08 -1.93 -0.22 0.00 -0.60 0.00 0.00 54.58 51.91 3mcx n ASN 310 Cb 0.36 -0.08 -0.17 0.00 -0.53 0.00 0.00 39.78 39.36 3mcx n ASN 310 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3mcx s LEU 311 N 0.00 1.14 0.09 1.20 1.43 -0.81 -3.00 118.68 118.74 3mcx s LEU 311 Ca 0.17 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3mcx s LEU 311 Cb 0.19 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 3mcx s LEU 311 CO -0.08 -0.09 -0.03 0.27 0.23 0.00 0.00 176.35 176.65 3mcx s ILE 312 N 1.31 0.41 0.32 -0.59 -4.36 -0.63 -4.58 121.20 113.08 3mcx s ILE 312 Ca -0.04 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.19 3mcx s ILE 312 Cb -0.14 -1.72 -0.09 0.00 1.25 0.00 0.00 42.46 41.76 3mcx s ILE 312 CO -0.02 -0.82 1.00 -0.76 0.24 0.00 0.00 174.94 174.57 3mcx s LEU 313 N -3.01 4.39 0.65 0.37 1.43 0.92 -0.66 118.68 122.77 3mcx s LEU 313 Ca 0.13 1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 3mcx s LEU 313 Cb 0.07 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.41 3mcx s LEU 313 CO -0.05 -0.13 0.97 -0.94 0.23 0.00 0.00 176.35 176.43 3mcx s SER 314 N -1.38 5.33 0.39 2.29 1.04 -0.16 -4.77 113.70 116.44 3mcx s SER 314 Ca 0.49 0.72 0.11 0.00 0.48 0.00 0.00 55.95 57.75 3mcx s SER 314 Cb -0.23 -1.57 0.80 0.00 0.10 0.00 0.00 66.02 65.11 3mcx s SER 314 CO 0.29 -1.28 1.90 -0.08 0.98 0.00 0.00 173.24 175.06 3mcx h GLU 315 N -0.40 0.14 -0.47 4.02 4.81 -1.89 -2.08 114.58 118.72 3mcx h GLU 315 Ca -0.45 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 3mcx h GLU 315 Cb 1.27 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 3mcx h GLU 315 CO 0.61 0.35 0.15 -0.44 -0.73 0.00 0.00 179.01 178.96 3mcx h ASP 316 N 0.13 0.14 -0.12 1.04 5.19 -1.92 0.87 116.42 121.75 3mcx h ASP 316 Ca 0.02 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 3mcx h ASP 316 Cb 0.45 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 3mcx h ASP 316 CO 0.03 0.11 -0.01 0.15 -3.12 0.00 0.00 179.24 176.40 3mcx h PHE 317 N 0.32 0.24 -0.83 4.55 3.57 -1.67 -2.07 116.94 121.06 3mcx h PHE 317 Ca 0.23 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3mcx h PHE 317 Cb 0.24 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3mcx h PHE 317 CO -0.17 0.49 0.48 -0.07 -2.23 0.00 0.00 178.31 176.80 3mcx h LEU 318 N -0.07 1.02 -0.61 0.59 3.38 -1.23 -0.09 115.31 118.31 3mcx h LEU 318 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3mcx h LEU 318 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3mcx h LEU 318 CO 0.01 0.81 0.34 0.78 0.09 0.00 0.00 178.44 180.47 3mcx h ASN 319 N 1.15 0.75 -0.06 -0.43 2.35 -0.80 0.08 115.58 118.63 3mcx h ASN 319 Ca 0.30 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3mcx h ASN 319 Cb -0.00 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3mcx h ASN 319 CO -0.05 0.62 0.04 0.25 -1.65 0.00 0.00 177.43 176.64 3mcx h LEU 320 N 0.82 0.08 -1.24 1.61 5.85 -0.71 -2.81 115.31 118.92 3mcx h LEU 320 Ca 0.21 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3mcx h LEU 320 Cb 0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3mcx h LEU 320 CO -0.04 0.10 -0.08 0.25 -0.34 0.00 0.00 178.44 178.34 3mcx h LEU 321 N 0.04 0.40 0.00 2.25 5.85 -0.82 -2.17 115.31 120.86 3mcx h LEU 321 Ca 0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3mcx h LEU 321 Cb 0.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3mcx h LEU 321 CO -0.00 0.53 0.00 0.59 -0.34 0.00 0.00 178.44 179.21 3mcx n ASN 322 N -4.25 0.00 0.29 1.25 3.02 -0.00 -2.42 115.26 113.15 3mcx n ASN 322 Ca 0.00 0.09 0.17 0.00 -0.03 0.00 0.00 54.58 54.81 3mcx n ASN 322 Cb 0.28 -0.31 0.89 0.00 -0.61 0.00 0.00 39.78 40.02 3mcx n ASN 322 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3mcx h GLU 323 N 0.00 0.00 -3.60 3.52 5.08 -1.14 -3.36 114.58 115.09 3mcx h GLU 323 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3mcx h GLU 323 Cb 0.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.04 3mcx h GLU 323 CO 0.00 0.05 -0.76 0.34 -1.00 0.00 0.00 179.01 177.64 3mcx s ASP 324 N -5.82 3.94 0.30 1.42 2.15 -1.01 -5.00 116.67 112.65 3mcx s ASP 324 Ca -0.03 -1.56 0.23 0.00 0.43 0.00 0.00 52.55 51.62 3mcx s ASP 324 Cb 0.13 -0.86 1.09 0.00 -0.30 0.00 0.00 42.92 42.98 3mcx s ASP 324 CO 0.52 -0.40 1.70 -2.65 -0.17 0.00 0.00 175.17 174.18 3mcx n PRO 325 N 4.85 0.18 -0.03 4.34 -0.02 -1.26 -2.40 135.00 140.66 3mcx n PRO 325 Ca -0.03 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 3mcx n PRO 325 Cb 0.42 -1.93 0.45 0.00 -0.02 0.00 0.00 33.50 32.43 3mcx n PRO 325 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mcx n LYS 326 N -2.28 1.72 -2.09 -0.52 4.76 -1.26 -4.92 118.16 113.57 3mcx n LYS 326 Ca 0.00 -1.06 -0.42 0.00 -2.87 0.00 0.00 58.31 53.96 3mcx n LYS 326 Cb 0.14 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 3mcx n LYS 326 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3mcx s ASP 327 N -1.83 6.74 0.57 4.39 -1.08 -1.01 -3.96 116.67 120.49 3mcx s ASP 327 Ca 0.36 2.27 0.29 0.00 -0.52 0.00 0.00 52.55 54.95 3mcx s ASP 327 Cb 0.20 -2.56 1.74 0.00 -1.46 0.00 0.00 42.92 40.83 3mcx s ASP 327 CO 0.31 -0.80 2.21 1.62 0.52 0.00 0.00 175.17 179.03 3mcx h VAL 328 N 4.88 0.52 0.00 1.11 3.04 -0.99 -2.78 116.25 122.04 3mcx h VAL 328 Ca -0.40 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3mcx h VAL 328 Cb 1.19 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3mcx h VAL 328 CO 0.92 0.03 0.00 0.54 -1.01 0.00 0.00 177.57 178.05 3mcx n ARG 329 N -3.77 0.02 0.27 4.17 1.74 -1.26 -1.34 116.66 116.49 3mcx n ARG 329 Ca -0.03 0.30 0.18 0.00 -0.77 0.00 0.00 57.85 57.53 3mcx n ARG 329 Cb 0.12 -1.54 0.93 0.00 -1.02 0.00 0.00 32.46 30.95 3mcx n ARG 329 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mcx h HIS 330 N 0.00 0.00 0.00 -1.55 3.86 -1.88 -1.71 115.15 113.87 3mcx h HIS 330 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mcx h HIS 330 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3mcx h HIS 330 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 3mcx n LEU 332 N -2.01 2.09 -4.42 0.00 4.77 -0.64 -4.85 117.00 111.94 3mcx n LEU 332 Ca 0.03 -0.74 -0.35 0.00 -0.03 0.00 0.00 56.01 54.92 3mcx n LEU 332 Cb 0.21 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 3mcx n LEU 332 CO 0.18 0.37 -0.35 0.42 -1.33 0.00 0.00 177.39 176.67 3mcx s THR 333 N -1.94 3.79 0.05 -5.08 -4.23 -1.00 -0.54 115.64 106.70 3mcx s THR 333 Ca 0.34 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3mcx s THR 333 Cb 0.20 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 3mcx s THR 333 CO 0.31 0.44 -0.11 -0.54 -0.54 0.00 0.00 174.62 174.19 3mcx s LYS 334 N 0.98 0.68 0.58 3.99 -0.14 -0.11 -4.93 119.74 120.79 3mcx s LYS 334 Ca 0.01 -0.77 -0.15 0.00 -1.36 0.00 0.00 55.97 53.70 3mcx s LYS 334 Cb -0.14 -0.58 -0.05 0.00 -1.68 0.00 0.00 37.83 35.38 3mcx s LYS 334 CO 0.01 0.13 1.03 -2.00 -0.76 0.00 0.00 175.35 173.76 3mcx s GLU 335 N -1.43 3.53 0.15 1.68 2.12 -1.26 -1.03 118.70 122.45 3mcx s GLU 335 Ca -0.05 1.02 -0.34 0.00 0.36 0.00 0.00 54.97 55.97 3mcx s GLU 335 Cb -0.09 -2.07 -0.15 0.00 0.26 0.00 0.00 34.13 32.08 3mcx s GLU 335 CO 0.01 -0.62 1.33 0.45 -0.54 0.00 0.00 175.26 175.89 3mcx n SER 336 N -2.10 1.93 0.27 -1.70 2.88 -1.26 -4.87 113.62 108.77 3mcx n SER 336 Ca 0.07 1.12 0.17 0.00 -1.33 0.00 0.00 58.87 58.90 3mcx n SER 336 Cb 0.53 -1.27 0.65 0.00 -0.75 0.00 0.00 64.21 63.38 3mcx n SER 336 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3mcx h VAL 337 N 3.12 0.04 -3.49 2.46 -1.51 -1.86 -3.37 116.25 111.64 3mcx h VAL 337 Ca -0.45 -0.57 -0.60 0.00 -1.23 0.00 0.00 66.70 63.85 3mcx h VAL 337 Cb 1.32 1.55 -0.10 0.00 -2.13 0.00 0.00 31.29 31.92 3mcx h VAL 337 CO 0.77 0.02 0.64 -0.63 -1.23 0.00 0.00 177.57 177.13 3mcx s ILE 338 N -3.65 4.38 0.37 7.19 1.01 -1.26 -5.02 121.20 124.22 3mcx s ILE 338 Ca 0.01 0.65 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 3mcx s ILE 338 Cb 0.09 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 3mcx s ILE 338 CO 0.55 -0.98 1.24 -1.61 0.00 0.00 0.00 174.94 174.14 3mcx s GLU 339 N 3.98 4.16 -1.00 2.79 0.41 -1.26 -3.29 118.70 124.49 3mcx s GLU 339 Ca 0.36 2.03 -0.04 0.00 -0.41 0.00 0.00 54.97 56.91 3mcx s GLU 339 Cb -0.10 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 3mcx s GLU 339 CO 0.25 -0.29 0.86 0.09 -0.49 0.00 0.00 175.26 175.68 3mcx n ASN 340 N 0.39 -4.13 -4.62 -0.19 3.02 -1.26 -4.90 115.26 103.57 3mcx n ASN 340 Ca 0.02 -0.44 -0.43 0.00 -0.03 0.00 0.00 54.58 53.71 3mcx n ASN 340 Cb 0.44 -4.02 -0.02 0.00 -0.61 0.00 0.00 39.78 35.57 3mcx n ASN 340 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mcx s ASN 341 N -3.55 6.47 0.00 6.41 3.84 -1.21 -4.88 114.94 122.02 3mcx s ASN 341 Ca 0.28 1.14 0.30 0.00 0.21 0.00 0.00 52.86 54.80 3mcx s ASN 341 Cb -0.12 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.61 3mcx s ASN 341 CO 0.56 -1.27 2.04 0.35 -2.79 0.00 0.00 177.10 176.00 3mcx n THR 342 N 6.61 0.00 1.64 -5.21 -2.24 -1.26 -3.11 114.28 110.72 3mcx n THR 342 Ca 0.16 -0.07 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 3mcx n THR 342 Cb 0.47 -0.18 0.76 0.00 -2.10 0.00 0.00 70.33 69.28 3mcx n THR 342 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mcx n GLY 343 N 1.10 -0.92 3.88 3.38 0.00 -1.26 -4.82 105.19 106.54 3mcx n GLY 343 Ca 0.21 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3mcx n GLY 343 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcx s LEU 344 N -2.26 4.11 0.31 0.99 1.43 -1.18 -4.88 118.68 117.20 3mcx s LEU 344 Ca 0.37 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 3mcx s LEU 344 Cb 0.21 -2.70 -0.13 0.00 0.03 0.00 0.00 46.19 43.59 3mcx s LEU 344 CO 0.42 0.08 1.12 -2.65 0.23 0.00 0.00 176.35 175.55 3mcx n PRO 345 N -0.31 1.66 -0.27 1.29 -0.02 -1.26 -4.85 135.00 131.23 3mcx n PRO 345 Ca -0.07 0.58 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3mcx n PRO 345 Cb 0.54 -2.03 0.21 0.00 -0.02 0.00 0.00 33.50 32.19 3mcx n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mcx h ALA 346 N 2.20 1.17 0.00 3.55 0.00 -1.93 0.15 119.26 124.40 3mcx h ALA 346 Ca -0.42 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mcx h ALA 346 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3mcx h ALA 346 CO 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3mcx h ALA 347 N 1.57 1.00 -2.26 0.00 0.00 -1.91 -3.44 119.26 114.21 3mcx h ALA 347 Ca 0.44 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.58 3mcx h ALA 347 Cb 0.68 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.23 3mcx h ALA 347 CO -0.40 0.00 0.73 0.00 0.00 0.00 0.00 179.25 179.58 3mcx s ALA 348 N -3.68 4.34 0.00 0.00 0.00 0.04 -4.73 121.76 117.72 3mcx s ALA 348 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.40 3mcx s ALA 348 Cb 0.10 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3mcx s ALA 348 CO 0.44 -2.45 0.00 0.72 0.00 0.00 0.00 175.76 174.47 3mcx n HIS 350 N 4.06 0.00 -2.53 0.00 8.25 -1.26 -4.77 115.22 118.97 3mcx n HIS 350 Ca 0.27 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.43 3mcx n HIS 350 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3mcx n HIS 350 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3mcx s GLU 351 N 0.00 3.68 -1.47 -0.41 0.41 -1.26 -4.90 118.70 114.76 3mcx s GLU 351 Ca 0.00 0.49 -0.11 0.00 -0.41 0.00 0.00 54.97 54.94 3mcx s GLU 351 Cb 0.00 -2.29 0.03 0.00 -1.78 0.00 0.00 34.13 30.09 3mcx s GLU 351 CO 0.00 -0.23 2.41 1.63 -0.49 0.00 0.00 175.26 178.59 3mcx n LYS 352 N -1.94 3.44 -0.19 1.61 5.02 -1.26 -4.27 118.16 120.57 3mcx n LYS 352 Ca 0.03 -2.73 0.11 0.00 -2.02 0.00 0.00 58.31 53.70 3mcx n LYS 352 Cb 0.54 -3.00 0.25 0.00 -0.02 0.00 0.00 35.03 32.80 3mcx n LYS 352 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3mcx n VAL 353 N 3.95 0.49 -3.67 -0.18 0.24 -1.05 -3.85 118.33 114.26 3mcx n VAL 353 Ca 0.59 -0.68 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 3mcx n VAL 353 Cb 0.32 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.38 3mcx n VAL 353 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3mcx s TYR 354 N -1.51 3.34 -0.11 6.34 1.51 -0.20 -0.05 117.35 126.67 3mcx s TYR 354 Ca 0.38 0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 56.46 3mcx s TYR 354 Cb 0.22 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3mcx s TYR 354 CO 0.30 0.12 0.75 -1.17 -1.11 0.00 0.00 175.55 174.45 3mcx s LEU 355 N 0.87 4.26 -0.29 -1.29 2.96 -1.26 -0.93 118.68 123.00 3mcx s LEU 355 Ca 0.08 1.18 0.11 0.00 -0.22 0.00 0.00 54.13 55.28 3mcx s LEU 355 Cb -0.13 -3.15 0.61 0.00 0.50 0.00 0.00 46.19 44.02 3mcx s LEU 355 CO 0.03 -0.23 1.61 0.00 -1.32 0.00 0.00 176.35 176.44 3mcx n ALA 356 N 4.36 4.19 0.23 5.97 0.00 0.30 -4.64 120.51 130.93 3mcx n ALA 356 Ca 0.01 -2.65 0.10 0.00 0.00 0.00 0.00 53.44 50.90 3mcx n ALA 356 Cb 0.50 -0.97 0.55 0.00 0.00 0.00 0.00 19.45 19.53 3mcx n ALA 356 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mcx h LYS 357 N 1.74 0.00 -2.16 0.00 1.57 -1.94 -3.37 116.57 112.41 3mcx h LYS 357 Ca 0.22 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.44 3mcx h LYS 357 Cb 1.96 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.85 3mcx h LYS 357 CO 0.54 0.22 -0.80 1.19 -0.57 0.00 0.00 179.45 180.02 3mcx n PHE 358 N -3.60 2.52 1.48 -1.35 3.72 -1.26 -3.82 117.46 115.15 3mcx n PHE 358 Ca -0.01 -3.94 0.14 0.00 -0.05 0.00 0.00 57.45 53.59 3mcx n PHE 358 Cb 0.35 -0.48 0.65 0.00 -0.94 0.00 0.00 39.48 39.07 3mcx n PHE 358 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3mcx n PRO 359 N 0.45 0.80 0.00 -1.08 -0.04 -1.26 -4.52 135.00 129.35 3mcx n PRO 359 Ca 0.28 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3mcx n PRO 359 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3mcx n PRO 359 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mcx n GLY 360 N 1.24 0.51 0.23 0.55 0.00 -1.25 -2.29 105.19 104.17 3mcx n GLY 360 Ca 0.16 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.45 3mcx n GLY 360 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mcx h LYS 361 N 0.00 0.00 -0.23 1.61 1.57 -1.74 -2.37 116.57 115.41 3mcx h LYS 361 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mcx h LYS 361 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3mcx h LYS 361 CO 0.00 0.22 0.00 0.25 -0.57 0.00 0.00 179.45 179.35 3mcx n THR 362 N -3.79 0.46 -0.43 -0.16 -2.24 -1.26 -4.83 114.28 102.03 3mcx n THR 362 Ca -0.02 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3mcx n THR 362 Cb 0.32 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3mcx n THR 362 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mcx n GLY 363 N 0.90 1.17 0.17 3.38 0.00 -0.89 -4.84 105.19 105.08 3mcx n GLY 363 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 3mcx n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mcx n ASP 364 N 0.00 0.35 -3.44 1.61 5.75 -1.11 -4.82 116.55 114.90 3mcx n ASP 364 Ca 0.00 -1.57 -0.26 0.00 -0.01 0.00 0.00 54.79 52.96 3mcx n ASP 364 Cb 0.00 -0.09 -0.11 0.00 -1.03 0.00 0.00 41.12 39.89 3mcx n ASP 364 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3mcx s ASP 365 N -0.62 2.50 0.56 -1.12 2.15 -0.97 -5.00 116.67 114.16 3mcx s ASP 365 Ca 0.02 -1.95 0.27 0.00 0.43 0.00 0.00 52.55 51.32 3mcx s ASP 365 Cb 0.02 -0.12 1.49 0.00 -0.30 0.00 0.00 42.92 44.01 3mcx s ASP 365 CO 0.00 -0.30 2.01 -0.65 -0.17 0.00 0.00 175.17 176.05 3mcx h PRO 366 N 7.13 0.00 0.00 4.34 0.11 -1.78 -1.27 132.00 140.53 3mcx h PRO 366 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3mcx h PRO 366 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3mcx h PRO 366 CO 0.26 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.92 3mcx h LYS 367 N 0.00 0.00 -0.01 1.05 1.57 -1.89 -1.91 116.57 115.38 3mcx h LYS 367 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3mcx h LYS 367 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3mcx h LYS 367 CO -0.00 0.00 -0.31 0.25 -0.57 0.00 0.00 179.45 178.82 3mcx n THR 368 N -2.65 0.00 -1.90 -0.16 -2.24 -0.48 -1.99 114.28 104.86 3mcx n THR 368 Ca -0.01 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3mcx n THR 368 Cb 0.10 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3mcx n THR 368 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mcx s ASN 369 N -2.58 6.53 1.02 3.42 2.47 -0.72 -4.36 114.94 120.72 3mcx s ASN 369 Ca 0.22 2.78 -0.12 0.00 0.42 0.00 0.00 52.86 56.16 3mcx s ASN 369 Cb 0.19 -2.62 0.20 0.00 -1.45 0.00 0.00 41.25 37.57 3mcx s ASN 369 CO 0.55 -0.81 1.07 0.20 -3.72 0.00 0.00 177.10 174.40 3mcx s ASN 370 N 0.54 2.27 -0.42 -4.21 -0.87 -1.26 -4.67 114.94 106.31 3mcx s ASN 370 Ca 0.63 1.55 -0.03 0.00 -1.57 0.00 0.00 52.86 53.43 3mcx s ASN 370 Cb -0.45 -2.22 0.11 0.00 -0.02 0.00 0.00 41.25 38.67 3mcx s ASN 370 CO 0.43 -3.41 0.22 -0.63 -2.57 0.00 0.00 177.10 171.14 3mcx s ILE 371 N -2.72 3.34 -0.24 0.60 1.01 -0.72 -4.96 121.20 117.51 3mcx s ILE 371 Ca 0.66 -2.07 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 3mcx s ILE 371 Cb -0.21 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 38.98 3mcx s ILE 371 CO 0.60 -0.70 1.08 0.00 0.00 0.00 0.00 174.94 175.92 3mcx h ILE 373 N 5.52 0.99 -2.58 0.00 1.08 -1.00 -3.48 117.51 118.04 3mcx h ILE 373 Ca -0.20 -2.49 -0.10 0.00 -0.39 0.00 0.00 64.86 61.68 3mcx h ILE 373 Cb 1.07 2.77 -0.23 0.00 -3.07 0.00 0.00 36.82 37.36 3mcx h ILE 373 CO 0.99 0.81 -0.14 -0.51 -0.69 0.00 0.00 178.15 178.61 3mcx s ILE 374 N -2.55 0.00 0.21 -0.67 2.07 -1.12 -5.00 121.20 114.15 3mcx s ILE 374 Ca -0.17 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 3mcx s ILE 374 Cb 0.05 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 3mcx s ILE 374 CO 0.83 -0.02 0.04 0.00 -1.91 0.00 0.00 174.94 173.88 3mcx s ARG 375 N 0.06 1.25 0.31 3.50 1.70 -1.26 -1.18 118.95 123.33 3mcx s ARG 375 Ca -0.02 -1.64 -0.00 0.00 -0.47 0.00 0.00 55.73 53.60 3mcx s ARG 375 Cb -0.03 -0.28 0.52 0.00 -0.57 0.00 0.00 34.95 34.58 3mcx s ARG 375 CO 0.01 -0.20 1.97 1.25 -1.08 0.00 0.00 175.30 177.25 3mcx h LEU 376 N 2.55 0.88 -1.19 -1.89 5.85 -1.05 -1.73 115.31 118.73 3mcx h LEU 376 Ca -0.37 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3mcx h LEU 376 Cb 1.22 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3mcx h LEU 376 CO 0.62 0.62 0.58 0.28 -0.34 0.00 0.00 178.44 180.20 3mcx h SER 377 N 1.03 0.83 -0.57 1.25 0.02 -1.96 -1.06 113.55 113.09 3mcx h SER 377 Ca 0.30 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3mcx h SER 377 Cb -0.05 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3mcx h SER 377 CO -0.08 0.50 0.11 -0.08 -1.14 0.00 0.00 176.83 176.14 3mcx h GLU 378 N 0.92 0.97 -0.39 3.45 4.81 -1.73 -1.61 114.58 121.00 3mcx h GLU 378 Ca 0.41 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3mcx h GLU 378 Cb 0.35 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3mcx h GLU 378 CO -0.17 0.89 0.13 0.28 -0.73 0.00 0.00 179.01 179.40 3mcx h VAL 379 N 0.91 1.21 -0.69 0.32 2.07 -1.16 0.23 116.25 119.15 3mcx h VAL 379 Ca 0.19 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3mcx h VAL 379 Cb 0.38 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3mcx h VAL 379 CO 0.01 0.24 0.43 1.88 0.02 0.00 0.00 177.57 180.15 3mcx h TYR 380 N 0.48 0.89 -0.53 1.57 -1.99 -1.14 -1.11 116.97 115.14 3mcx h TYR 380 Ca 0.13 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.76 3mcx h TYR 380 Cb 0.25 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 3mcx h TYR 380 CO 0.01 0.59 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.62 3mcx h LEU 381 N 0.93 0.95 -0.48 3.88 3.38 -0.90 -0.95 115.31 122.12 3mcx h LEU 381 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3mcx h LEU 381 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3mcx h LEU 381 CO -0.05 1.04 0.30 0.78 0.09 0.00 0.00 178.44 180.60 3mcx h ASN 382 N 0.87 0.57 -0.49 -0.43 2.35 -0.35 -0.76 115.58 117.34 3mcx h ASN 382 Ca 0.15 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3mcx h ASN 382 Cb 0.60 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3mcx h ASN 382 CO 0.04 0.45 0.29 0.00 -1.65 0.00 0.00 177.43 176.56 3mcx h ALA 383 N 1.14 0.62 -0.39 -0.83 0.00 -0.95 -0.11 119.26 118.74 3mcx h ALA 383 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3mcx h ALA 383 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mcx h ALA 383 CO -0.03 0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.60 3mcx h ALA 384 N 1.13 0.50 -0.21 0.00 0.00 -0.78 -0.14 119.26 119.76 3mcx h ALA 384 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3mcx h ALA 384 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mcx h ALA 384 CO -0.03 -0.04 -0.07 1.49 0.00 0.00 0.00 179.25 180.60 3mcx h GLU 385 N 0.53 0.43 -0.76 0.00 4.81 -1.06 -1.96 114.58 116.56 3mcx h GLU 385 Ca 0.14 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3mcx h GLU 385 Cb -0.05 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3mcx h GLU 385 CO -0.03 0.68 0.37 0.00 -0.73 0.00 0.00 179.01 179.30 3mcx h ALA 386 N 0.73 1.21 -0.05 2.92 0.00 -0.91 -1.02 119.26 122.15 3mcx h ALA 386 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mcx h ALA 386 Cb 0.54 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mcx h ALA 386 CO 0.02 0.60 0.01 0.78 0.00 0.00 0.00 179.25 180.67 3mcx h GLY 387 N 1.12 0.09 1.00 0.00 0.00 -0.90 -1.21 103.07 103.17 3mcx h GLY 387 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3mcx h GLY 387 CO -0.03 0.05 0.35 -2.00 0.00 0.00 0.00 176.54 174.91 3mcx h LEU 388 N -0.16 0.62 -0.89 3.11 5.85 -1.17 -1.67 115.31 120.99 3mcx h LEU 388 Ca 0.02 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3mcx h LEU 388 Cb 0.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3mcx h LEU 388 CO 0.00 0.45 -0.05 0.11 -0.34 0.00 0.00 178.44 178.61 3mcx h LYS 389 N 0.72 0.76 0.00 1.25 1.79 -1.12 -2.96 116.57 117.01 3mcx h LYS 389 Ca 0.19 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3mcx h LYS 389 Cb -0.07 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3mcx h LYS 389 CO -0.04 0.81 -0.16 1.57 -1.08 0.00 0.00 179.45 180.54 3mcx h LYS 390 N 0.70 0.00 0.00 3.15 2.10 -0.99 -3.48 116.57 118.06 3mcx h LYS 390 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3mcx h LYS 390 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3mcx h LYS 390 CO 0.03 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.89 3mcx n GLY 391 N 1.15 0.58 3.25 0.07 0.00 -0.65 -5.02 105.19 104.56 3mcx n GLY 391 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3mcx n GLY 391 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mcx s THR 392 N -2.10 0.59 -1.43 2.61 -4.23 -1.25 -4.79 115.64 105.04 3mcx s THR 392 Ca 0.00 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 3mcx s THR 392 Cb 0.00 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.65 3mcx s THR 392 CO 0.00 -0.37 0.49 0.47 -0.54 0.00 0.00 174.62 174.67 3mcx n ASP 393 N -0.27 -5.08 -0.02 3.99 8.00 -1.26 -4.71 116.55 117.19 3mcx n ASP 393 Ca -0.05 -0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.07 3mcx n ASP 393 Cb 0.64 -4.15 -0.06 0.00 -0.02 0.00 0.00 41.12 37.53 3mcx n ASP 393 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3mcx h ILE 394 N -1.06 1.14 -0.69 0.53 1.08 -1.86 -0.27 117.51 116.38 3mcx h ILE 394 Ca -0.47 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3mcx h ILE 394 Cb 1.33 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 3mcx h ILE 394 CO 0.54 0.13 0.42 -0.08 -0.69 0.00 0.00 178.15 178.47 3mcx h GLU 395 N 0.05 0.93 -0.31 2.37 4.81 -1.98 0.38 114.58 120.82 3mcx h GLU 395 Ca 0.04 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3mcx h GLU 395 Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3mcx h GLU 395 CO -0.00 0.65 0.17 1.49 -0.73 0.00 0.00 179.01 180.59 3mcx h GLU 396 N 0.93 0.43 -0.63 1.92 4.81 -1.92 -1.62 114.58 118.51 3mcx h GLU 396 Ca 0.25 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3mcx h GLU 396 Cb -0.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3mcx h GLU 396 CO -0.05 0.36 0.38 0.00 -0.73 0.00 0.00 179.01 178.98 3mcx h ALA 397 N 1.04 0.81 -0.76 2.92 0.00 -0.54 -2.21 119.26 120.53 3mcx h ALA 397 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3mcx h ALA 397 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3mcx h ALA 397 CO -0.02 0.13 0.44 0.37 0.00 0.00 0.00 179.25 180.17 3mcx h GLN 398 N 0.76 1.04 -0.99 0.00 4.15 -0.76 -1.70 115.11 117.60 3mcx h GLN 398 Ca 0.25 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.59 3mcx h GLN 398 Cb 0.02 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.45 3mcx h GLN 398 CO -0.10 0.74 0.65 0.78 -1.93 0.00 0.00 178.83 178.97 3mcx h GLY 399 N 1.08 1.40 1.29 2.39 0.00 -0.73 -1.07 103.07 107.43 3mcx h GLY 399 Ca 0.27 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3mcx h GLY 399 CO -0.05 0.48 -0.28 -0.97 0.00 0.00 0.00 176.54 175.72 3mcx h TYR 400 N 1.31 0.92 -0.50 5.60 0.05 -0.75 0.65 116.97 124.26 3mcx h TYR 400 Ca 0.37 -0.23 0.01 0.00 0.05 0.00 0.00 58.73 58.92 3mcx h TYR 400 Cb -0.11 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 3mcx h TYR 400 CO -0.00 0.99 0.33 1.25 -1.05 0.00 0.00 178.16 179.68 3mcx h LEU 401 N 0.68 0.58 -1.46 3.88 5.85 -0.97 -2.72 115.31 121.15 3mcx h LEU 401 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3mcx h LEU 401 Cb 0.82 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3mcx h LEU 401 CO 0.07 0.42 -0.26 0.78 -0.34 0.00 0.00 178.44 179.11 3mcx h ASN 402 N 0.68 0.00 -0.26 1.25 2.35 -0.76 -1.36 115.58 117.48 3mcx h ASN 402 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3mcx h ASN 402 Cb -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3mcx h ASN 402 CO -0.04 0.26 0.16 0.44 -1.65 0.00 0.00 177.43 176.59 3mcx h ASP 403 N 0.00 0.33 0.00 5.81 3.32 -0.56 0.11 116.42 125.43 3mcx h ASP 403 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3mcx h ASP 403 Cb 0.56 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3mcx h ASP 403 CO 0.03 0.26 -0.01 0.40 -1.72 0.00 0.00 179.24 178.21 3mcx h ILE 404 N 0.38 0.57 -0.52 0.35 1.08 -1.28 -3.31 117.51 114.78 3mcx h ILE 404 Ca 0.10 -1.43 0.10 0.00 -0.39 0.00 0.00 64.86 63.24 3mcx h ILE 404 Cb 0.00 1.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 3mcx h ILE 404 CO -0.02 0.19 -0.02 0.40 -0.69 0.00 0.00 178.15 178.01 3mcx h ILE 405 N -1.00 0.57 0.00 -0.67 2.04 -1.15 -1.01 117.51 116.29 3mcx h ILE 405 Ca -0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3mcx h ILE 405 Cb 0.33 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3mcx h ILE 405 CO -0.00 0.02 -0.03 0.77 0.00 0.00 0.00 178.15 178.91 3mcx h SER 406 N 0.09 0.00 -0.41 1.72 4.64 -0.95 -1.22 113.55 117.43 3mcx h SER 406 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3mcx h SER 406 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3mcx h SER 406 CO -0.45 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.07 3mcx n ARG 407 N -3.21 2.40 0.00 4.77 1.74 -0.41 -4.39 116.66 117.58 3mcx n ARG 407 Ca -0.01 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 3mcx n ARG 407 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3mcx n ARG 407 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mcx n ARG 408 N 1.32 4.91 -3.87 5.56 5.12 -0.50 -2.95 116.66 126.24 3mcx n ARG 408 Ca 0.19 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3mcx n ARG 408 Cb 0.56 -0.45 -0.09 0.00 -1.16 0.00 0.00 32.46 31.33 3mcx n ARG 408 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3mcx s THR 409 N -0.87 0.12 -2.15 0.55 -1.32 -0.97 -0.26 115.64 110.74 3mcx s THR 409 Ca 0.00 -0.96 0.26 0.00 -1.21 0.00 0.00 61.69 59.77 3mcx s THR 409 Cb 0.00 -0.92 0.27 0.00 -1.51 0.00 0.00 72.50 70.33 3mcx s THR 409 CO 0.00 -0.53 1.47 0.35 -2.21 0.00 0.00 174.62 173.70 3mcx n THR 410 N 0.68 0.00 -2.82 5.08 -2.24 -1.25 -4.74 114.28 108.98 3mcx n THR 410 Ca -0.19 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 3mcx n THR 410 Cb 0.59 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 3mcx n THR 410 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mcx s ASP 411 N -2.31 6.33 0.46 3.42 2.15 -1.26 -4.90 116.67 120.55 3mcx s ASP 411 Ca 0.27 -0.37 0.20 0.00 0.43 0.00 0.00 52.55 53.08 3mcx s ASP 411 Cb 0.19 -2.44 1.12 0.00 -0.30 0.00 0.00 42.92 41.49 3mcx s ASP 411 CO 0.46 -1.26 1.97 0.71 -0.17 0.00 0.00 175.17 176.88 3mcx h THR 412 N 6.02 0.88 0.00 1.71 1.35 -1.99 -2.19 112.91 118.69 3mcx h THR 412 Ca -0.26 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3mcx h THR 412 Cb 1.07 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3mcx h THR 412 CO 1.10 0.20 0.00 -1.54 -0.25 0.00 0.00 175.52 175.03 3mcx n SER 413 N -3.91 0.16 0.21 5.36 3.41 -1.26 -1.88 113.62 115.71 3mcx n SER 413 Ca -0.02 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 3mcx n SER 413 Cb 0.29 -0.58 0.43 0.00 -0.26 0.00 0.00 64.21 64.09 3mcx n SER 413 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mcx h GLN 414 N 0.00 0.00 -7.04 4.33 1.08 -1.81 -3.44 115.11 108.23 3mcx h GLN 414 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 3mcx h GLN 414 Cb 0.21 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.73 3mcx h GLN 414 CO 0.00 0.27 0.52 -0.65 -0.95 0.00 0.00 178.83 178.02 3mcx s GLN 415 N -3.67 3.42 0.12 1.46 -0.21 -0.79 -5.01 119.66 114.99 3mcx s GLN 415 Ca 0.00 1.92 -0.07 0.00 0.02 0.00 0.00 55.36 57.24 3mcx s GLN 415 Cb 0.11 -2.27 -0.06 0.00 1.00 0.00 0.00 33.01 31.79 3mcx s GLN 415 CO 0.65 -0.87 0.39 0.14 -2.12 0.00 0.00 175.29 173.48 3mcx s VAL 416 N -1.48 5.14 0.55 1.09 -7.23 -1.26 -5.06 120.40 112.14 3mcx s VAL 416 Ca 0.69 0.18 0.09 0.00 -1.81 0.00 0.00 61.98 61.13 3mcx s VAL 416 Cb -0.32 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.06 3mcx s VAL 416 CO 0.38 0.11 0.72 -0.94 -0.31 0.00 0.00 175.10 175.07 3mcx s SER 417 N -2.21 5.11 0.32 4.85 1.04 -1.26 -4.91 113.70 116.64 3mcx s SER 417 Ca 0.39 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3mcx s SER 417 Cb -0.13 0.19 0.61 0.00 0.10 0.00 0.00 66.02 66.80 3mcx s SER 417 CO 0.22 -1.24 1.90 0.74 0.98 0.00 0.00 173.24 175.84 3mcx h THR 418 N 0.30 1.01 -0.49 2.02 2.02 -1.99 0.07 112.91 115.85 3mcx h THR 418 Ca -0.32 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 3mcx h THR 418 Cb 1.29 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3mcx h THR 418 CO 0.43 0.17 0.08 -0.08 0.37 0.00 0.00 175.52 176.50 3mcx h GLU 419 N 0.93 0.76 -0.14 6.66 4.22 -2.03 -3.08 114.58 121.90 3mcx h GLU 419 Ca 0.40 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3mcx h GLU 419 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3mcx h GLU 419 CO -0.16 0.72 0.00 0.25 -2.18 0.00 0.00 179.01 177.63 3mcx n THR 420 N -4.27 0.17 -2.63 0.32 -2.24 -0.74 -4.76 114.28 100.13 3mcx n THR 420 Ca 0.03 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 3mcx n THR 420 Cb 0.24 1.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 3mcx n THR 420 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3mcx s PHE 421 N -1.75 2.73 0.28 4.78 5.36 -0.07 -4.79 117.98 124.52 3mcx s PHE 421 Ca 0.30 -1.20 0.10 0.00 -0.96 0.00 0.00 56.93 55.16 3mcx s PHE 421 Cb 0.20 -4.65 -0.05 0.00 -0.34 0.00 0.00 43.02 38.19 3mcx s PHE 421 CO 0.29 -1.82 -0.03 0.95 -1.46 0.00 0.00 175.22 173.15 3mcx s THR 422 N 4.31 3.14 0.19 0.12 -4.23 -1.26 -4.99 115.64 112.91 3mcx s THR 422 Ca 0.47 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 3mcx s THR 422 Cb 0.00 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 71.19 3mcx s THR 422 CO -0.04 -0.34 1.79 0.25 -0.54 0.00 0.00 174.62 175.73 3mcx h LEU 423 N 1.92 0.41 -1.00 4.79 5.85 -1.99 -2.28 115.31 123.01 3mcx h LEU 423 Ca -0.43 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3mcx h LEU 423 Cb 1.25 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3mcx h LEU 423 CO 0.61 0.28 0.66 -0.78 -0.34 0.00 0.00 178.44 178.87 3mcx h ASP 424 N 0.54 1.13 -0.60 1.25 3.58 -1.97 -0.14 116.42 120.21 3mcx h ASP 424 Ca 0.24 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 3mcx h ASP 424 Cb 0.14 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3mcx h ASP 424 CO -0.16 0.80 0.22 -0.09 -2.88 0.00 0.00 179.24 177.13 3mcx h ARG 425 N 1.32 0.94 -0.25 0.28 9.65 -1.76 0.32 114.38 124.88 3mcx h ARG 425 Ca 0.38 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 59.06 3mcx h ARG 425 Cb -0.09 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3mcx h ARG 425 CO -0.10 0.79 0.04 0.82 2.80 0.00 0.00 179.97 184.32 3mcx h ILE 426 N 0.92 1.23 -0.60 1.20 2.04 -0.81 -2.25 117.51 119.23 3mcx h ILE 426 Ca 0.21 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 3mcx h ILE 426 Cb 0.22 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3mcx h ILE 426 CO -0.01 0.25 0.06 -0.07 0.00 0.00 0.00 178.15 178.38 3mcx h LEU 427 N 0.22 0.96 -0.45 1.44 3.38 -0.75 0.11 115.31 120.21 3mcx h LEU 427 Ca 0.08 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3mcx h LEU 427 Cb 0.33 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3mcx h LEU 427 CO 0.01 0.98 0.19 0.11 0.09 0.00 0.00 178.44 179.81 3mcx h LYS 428 N 0.93 0.37 -0.80 1.13 1.57 -0.93 -1.55 116.57 117.29 3mcx h LYS 428 Ca 0.18 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3mcx h LYS 428 Cb 0.45 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3mcx h LYS 428 CO 0.02 0.25 0.32 1.49 -0.57 0.00 0.00 179.45 180.96 3mcx h GLU 429 N 0.39 1.20 -0.80 3.15 4.57 -0.75 -1.91 114.58 120.43 3mcx h GLU 429 Ca 0.20 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3mcx h GLU 429 Cb 0.16 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 3mcx h GLU 429 CO -0.18 0.97 0.44 0.00 -1.18 0.00 0.00 179.01 179.06 3mcx h ARG 430 N 1.17 1.11 -0.70 1.92 3.08 -0.81 0.13 114.38 120.28 3mcx h ARG 430 Ca 0.27 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3mcx h ARG 430 Cb 0.21 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3mcx h ARG 430 CO -0.02 0.82 0.40 0.00 -1.07 0.00 0.00 179.97 180.09 3mcx h ARG 431 N 1.11 0.97 -0.33 0.04 3.08 -0.87 0.49 114.38 118.87 3mcx h ARG 431 Ca 0.28 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 3mcx h ARG 431 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3mcx h ARG 431 CO -0.05 0.72 -0.10 0.87 -1.07 0.00 0.00 179.97 180.34 3mcx h LYS 432 N 0.96 0.65 0.11 0.04 1.57 -0.98 -3.04 116.57 115.89 3mcx h LYS 432 Ca 0.25 -0.26 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 3mcx h LYS 432 Cb 0.02 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.32 3mcx h LYS 432 CO -0.04 0.84 -1.22 1.49 -0.57 0.00 0.00 179.45 179.94 3mcx h GLU 433 N 0.42 0.53 -0.38 3.15 4.57 -0.78 -3.36 114.58 118.73 3mcx h GLU 433 Ca 0.08 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3mcx h GLU 433 Cb 0.61 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3mcx h GLU 433 CO 0.04 1.32 0.00 1.28 -1.18 0.00 0.00 179.01 180.47 3mcx n LEU 434 N -3.74 3.11 -4.64 1.64 4.77 0.15 -4.99 117.00 113.30 3mcx n LEU 434 Ca -0.12 -2.07 -0.48 0.00 -0.03 0.00 0.00 56.01 53.31 3mcx n LEU 434 Cb 0.98 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 3mcx n LEU 434 CO 0.57 0.75 1.06 0.55 -1.33 0.00 0.00 177.39 178.99 3mcx n VAL 435 N 0.57 0.06 -0.45 4.08 3.14 -1.15 -1.32 118.33 123.27 3mcx n VAL 435 Ca 0.14 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 3mcx n VAL 435 Cb 0.48 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 3mcx n VAL 435 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mcx n GLY 436 N 2.99 1.07 0.77 7.55 0.00 -1.26 -4.90 105.19 111.41 3mcx n GLY 436 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3mcx n GLY 436 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mcx n GLU 437 N -2.00 2.93 -0.80 1.61 1.02 -0.44 -4.87 120.64 118.09 3mcx n GLU 437 Ca 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 3mcx n GLU 437 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3mcx n GLU 437 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mcx n GLY 438 N 0.12 0.59 0.01 0.62 0.00 -1.22 -4.92 105.19 100.39 3mcx n GLY 438 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mcx n GLY 438 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mcx n GLU 439 N -2.80 1.81 -0.22 1.61 -0.58 -1.26 -3.92 120.64 115.28 3mcx n GLU 439 Ca 0.00 -0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.84 3mcx n GLU 439 Cb 0.00 -1.05 0.39 0.00 -0.57 0.00 0.00 31.44 30.21 3mcx n GLU 439 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mcx h VAL 440 N 0.00 0.89 -0.70 2.62 2.07 -1.85 -1.47 116.25 117.81 3mcx h VAL 440 Ca -0.03 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.42 3mcx h VAL 440 Cb 0.60 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.42 3mcx h VAL 440 CO 0.00 0.12 0.05 0.15 0.02 0.00 0.00 177.57 177.91 3mcx h PHE 441 N 0.66 0.04 0.00 1.57 3.57 -1.33 -1.27 116.94 120.18 3mcx h PHE 441 Ca 0.39 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 3mcx h PHE 441 Cb 0.59 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3mcx h PHE 441 CO -0.00 -0.17 -0.26 1.88 -2.23 0.00 0.00 178.31 177.53 3mcx h TYR 442 N 0.15 0.00 -0.80 0.41 0.05 -1.54 -2.10 116.97 113.14 3mcx h TYR 442 Ca 0.38 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.24 3mcx h TYR 442 Cb 0.65 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.33 3mcx h TYR 442 CO -0.36 0.26 0.46 -0.44 -1.05 0.00 0.00 178.16 177.02 3mcx h ASP 443 N 0.00 0.67 -0.09 3.88 5.19 -1.21 -0.29 116.42 124.58 3mcx h ASP 443 Ca -0.00 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 3mcx h ASP 443 Cb 0.52 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 3mcx h ASP 443 CO 0.03 0.40 -0.13 1.88 -3.12 0.00 0.00 179.24 178.31 3mcx h TYR 444 N 0.79 0.29 0.06 4.55 -1.99 -1.37 -3.22 116.97 116.08 3mcx h TYR 444 Ca 0.37 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 3mcx h TYR 444 Cb 0.30 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3mcx h TYR 444 CO -0.06 0.71 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.71 3mcx h LEU 445 N -0.21 -0.07 -0.82 3.88 3.38 -0.99 -1.11 115.31 119.36 3mcx h LEU 445 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mcx h LEU 445 Cb 0.68 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3mcx h LEU 445 CO 0.03 -0.05 0.00 0.08 0.09 0.00 0.00 178.44 178.59 3mcx h ARG 446 N -0.08 0.00 -0.49 1.13 0.11 -1.20 -2.00 114.38 111.85 3mcx h ARG 446 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3mcx h ARG 446 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3mcx h ARG 446 CO 0.01 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.17 3mcx n ASN 447 N -2.36 3.59 -1.63 0.08 3.02 -0.89 -4.94 115.26 112.13 3mcx n ASN 447 Ca 0.02 -1.99 -0.16 0.00 -0.03 0.00 0.00 54.58 52.42 3mcx n ASN 447 Cb 0.24 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 3mcx n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mcx n GLY 448 N 1.51 0.24 3.82 7.41 0.00 -0.75 -4.98 105.19 112.44 3mcx n GLY 448 Ca 0.21 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3mcx n GLY 448 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcx s LEU 449 N -4.26 4.35 0.38 0.99 1.43 -0.49 -4.70 118.68 116.38 3mcx s LEU 449 Ca 0.00 0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 53.35 3mcx s LEU 449 Cb 0.00 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 3mcx s LEU 449 CO 0.00 0.31 1.19 0.00 0.23 0.00 0.00 176.35 178.08 3mcx s ALA 450 N -0.57 3.23 -0.29 4.21 0.00 -1.26 -4.12 121.76 122.96 3mcx s ALA 450 Ca 0.15 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3mcx s ALA 450 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3mcx s ALA 450 CO 0.04 -0.54 0.19 0.42 0.00 0.00 0.00 175.76 175.88 3mcx s ILE 451 N -1.34 5.19 -0.16 0.00 1.01 -0.07 -4.94 121.20 120.89 3mcx s ILE 451 Ca 0.55 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.24 3mcx s ILE 451 Cb -0.33 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3mcx s ILE 451 CO 0.42 0.20 -0.18 -1.61 0.00 0.00 0.00 174.94 173.76 3mcx s GLU 452 N 1.73 3.09 -0.75 2.79 2.02 -1.26 -0.69 118.70 125.64 3mcx s GLU 452 Ca 0.07 -0.80 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 3mcx s GLU 452 Cb -0.16 -2.56 0.14 0.00 0.10 0.00 0.00 34.13 31.65 3mcx s GLU 452 CO 0.10 -0.06 0.86 1.03 0.02 0.00 0.00 175.26 177.21 3mcx s ARG 453 N 0.96 3.34 -0.03 1.61 3.00 0.03 -4.81 118.95 123.06 3mcx s ARG 453 Ca -0.03 -1.68 0.19 0.00 0.00 0.00 0.00 55.73 54.21 3mcx s ARG 453 Cb -0.15 -4.50 -0.29 0.00 0.00 0.00 0.00 34.95 30.01 3mcx s ARG 453 CO -0.04 -1.57 0.42 1.63 0.00 0.00 0.00 175.30 175.74 3mcx n LYS 454 N 5.95 0.58 -1.76 3.54 5.02 -1.26 -4.91 118.16 125.32 3mcx n LYS 454 Ca 0.06 -0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 55.80 3mcx n LYS 454 Cb 0.46 -1.45 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 3mcx n LYS 454 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3mcx s GLY 455 N -4.16 2.89 0.28 0.72 0.00 -1.26 -4.90 107.32 100.89 3mcx s GLY 455 Ca -0.07 1.32 0.25 0.00 0.00 0.00 0.00 44.72 46.22 3mcx s GLY 455 CO 0.79 1.82 1.75 1.48 0.00 0.00 0.00 173.10 178.93 3mcx h SER 456 N 1.22 0.00 -0.44 1.64 4.64 -1.95 -2.72 113.55 115.95 3mcx h SER 456 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3mcx h SER 456 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3mcx h SER 456 CO 0.56 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.85 3mcx n TRP 457 N -2.34 0.83 -1.61 4.77 2.14 -1.26 -4.93 117.44 115.05 3mcx n TRP 457 Ca 0.02 -0.60 -0.37 0.00 2.07 0.00 0.00 57.50 58.62 3mcx n TRP 457 Cb 0.26 -0.13 0.06 0.00 -0.81 0.00 0.00 31.31 30.70 3mcx n TRP 457 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 3mcx n HIS 458 N 0.57 0.86 -2.37 -2.67 8.25 -1.03 -4.91 115.22 113.92 3mcx n HIS 458 Ca 0.18 0.43 -0.35 0.00 -0.26 0.00 0.00 57.72 57.72 3mcx n HIS 458 Cb 0.64 -2.14 -0.01 0.00 1.12 0.00 0.00 29.99 29.60 3mcx n HIS 458 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mcx s LEU 459 N -2.34 3.82 0.54 2.41 1.43 -1.26 -4.91 118.68 118.37 3mcx s LEU 459 Ca 0.77 2.10 0.30 0.00 -1.03 0.00 0.00 54.13 56.27 3mcx s LEU 459 Cb -0.40 -4.53 1.51 0.00 0.03 0.00 0.00 46.19 42.80 3mcx s LEU 459 CO 0.46 -1.01 2.07 -0.33 0.23 0.00 0.00 176.35 177.77 3mcx h GLU 460 N 1.45 0.00 -0.04 1.70 4.39 -1.99 -2.43 114.58 117.67 3mcx h GLU 460 Ca -0.50 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.21 3mcx h GLU 460 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3mcx h GLU 460 CO 0.58 0.09 0.07 1.79 -1.16 0.00 0.00 179.01 180.39 3mcx h THR 461 N 0.00 0.27 0.00 1.13 1.35 -2.01 -1.88 112.91 111.77 3mcx h THR 461 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 3mcx h THR 461 Cb 0.37 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3mcx h THR 461 CO 0.01 0.00 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.05 3mcx h LEU 462 N 0.00 0.00 0.24 3.87 3.38 -1.79 -0.66 115.31 120.34 3mcx h LEU 462 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3mcx h LEU 462 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3mcx h LEU 462 CO -0.00 0.16 -0.11 0.11 0.09 0.00 0.00 178.44 178.69 3mcx h LYS 463 N 0.00 -0.31 -0.21 1.13 1.57 -1.56 0.11 116.57 117.30 3mcx h LYS 463 Ca -0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mcx h LYS 463 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3mcx h LYS 463 CO 0.02 0.02 -0.06 0.00 -0.57 0.00 0.00 179.45 178.86 3mcx h ALA 464 N -0.03 1.50 -0.07 3.86 0.00 -1.59 -2.33 119.26 120.60 3mcx h ALA 464 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3mcx h ALA 464 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3mcx h ALA 464 CO 0.05 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 3mcx n SER 465 N -4.30 1.65 -3.69 0.00 3.41 -0.27 -4.95 113.62 105.47 3mcx n SER 465 Ca 0.00 -1.59 -0.22 0.00 -0.26 0.00 0.00 58.87 56.80 3mcx n SER 465 Cb 0.24 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3mcx n SER 465 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mcx n ASN 466 N 0.30 -1.55 -0.90 4.04 5.15 -0.67 -4.90 115.26 116.72 3mcx n ASN 466 Ca 0.18 -0.79 0.05 0.00 -0.60 0.00 0.00 54.58 53.42 3mcx n ASN 466 Cb 0.36 -4.16 0.12 0.00 -0.53 0.00 0.00 39.78 35.57 3mcx n ASN 466 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mcx n ALA 467 N -4.30 2.94 0.10 5.20 0.00 0.29 -4.64 120.51 120.09 3mcx n ALA 467 Ca -0.27 -2.73 -0.05 0.00 0.00 0.00 0.00 53.44 50.39 3mcx n ALA 467 Cb 0.67 -0.51 0.04 0.00 0.00 0.00 0.00 19.45 19.64 3mcx n ALA 467 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3mcx h GLN 468 N 0.85 0.06 -4.17 0.00 4.20 -1.90 -3.44 115.11 110.70 3mcx h GLN 468 Ca -0.09 -0.06 -0.43 0.00 0.06 0.00 0.00 58.65 58.13 3mcx h GLN 468 Cb 1.38 0.02 -0.33 0.00 0.30 0.00 0.00 27.48 28.84 3mcx h GLN 468 CO 0.04 0.82 -0.78 0.21 -0.67 0.00 0.00 178.83 178.44 3mcx s LYS 469 N -3.25 1.00 -0.19 1.46 2.20 -1.26 -0.79 119.74 118.92 3mcx s LYS 469 Ca -0.01 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3mcx s LYS 469 Cb 0.11 -0.94 0.04 0.00 -1.51 0.00 0.00 37.83 35.54 3mcx s LYS 469 CO 0.80 -0.04 -0.07 0.42 -0.36 0.00 0.00 175.35 176.10 3mcx s ILE 470 N 0.77 1.37 0.60 5.43 1.09 0.13 -4.97 121.20 125.62 3mcx s ILE 470 Ca -0.12 -0.83 -0.17 0.00 -1.10 0.00 0.00 60.65 58.43 3mcx s ILE 470 Cb -0.14 -1.51 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 3mcx s ILE 470 CO 0.01 0.13 1.12 -1.61 -0.10 0.00 0.00 174.94 174.49 3mcx s GLU 471 N 1.52 3.05 0.00 2.79 0.41 -1.26 -0.89 118.70 124.32 3mcx s GLU 471 Ca -0.01 1.51 0.13 0.00 -0.41 0.00 0.00 54.97 56.19 3mcx s GLU 471 Cb -0.16 -1.97 0.57 0.00 -1.78 0.00 0.00 34.13 30.79 3mcx s GLU 471 CO -0.08 -1.07 1.42 0.00 -0.49 0.00 0.00 175.26 175.04 3mcx n ALA 472 N -1.89 1.61 0.23 5.21 0.00 -1.26 -1.29 120.51 123.13 3mcx n ALA 472 Ca 0.11 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.61 3mcx n ALA 472 Cb 0.51 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 18.94 3mcx n ALA 472 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mcx n THR 473 N -1.49 0.53 -2.01 0.00 -2.24 -1.26 -4.78 114.28 103.03 3mcx n THR 473 Ca 0.03 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 3mcx n THR 473 Cb 0.15 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 3mcx n THR 473 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mcx s ASP 474 N -1.32 6.66 0.53 3.42 -1.08 -0.41 -4.86 116.67 119.61 3mcx s ASP 474 Ca 0.33 2.53 0.24 0.00 -0.52 0.00 0.00 52.55 55.13 3mcx s ASP 474 Cb 0.20 -2.59 1.39 0.00 -1.46 0.00 0.00 42.92 40.45 3mcx s ASP 474 CO 0.27 -0.77 2.02 -0.07 0.52 0.00 0.00 175.17 177.15 3mcx h LEU 475 N 6.78 0.00 0.00 -1.34 3.38 -1.90 -1.45 115.31 120.78 3mcx h LEU 475 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3mcx h LEU 475 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3mcx h LEU 475 CO 0.90 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.97 3mcx n ARG 476 N -4.36 0.08 -0.24 1.13 1.74 -1.26 -2.88 116.66 110.86 3mcx n ARG 476 Ca 0.07 0.16 -0.02 0.00 -0.77 0.00 0.00 57.85 57.29 3mcx n ARG 476 Cb 0.51 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.54 3mcx n ARG 476 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3mcx h ILE 477 N 0.00 1.04 -3.36 0.55 1.08 -1.61 -3.38 117.51 111.82 3mcx h ILE 477 Ca 0.00 -0.27 -0.57 0.00 -0.39 0.00 0.00 64.86 63.63 3mcx h ILE 477 Cb 0.27 0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 34.14 3mcx h ILE 477 CO 0.00 0.14 0.82 0.00 -0.69 0.00 0.00 178.15 178.43 3mcx s ALA 478 N -6.10 3.46 0.68 1.87 0.00 -1.14 -4.86 121.76 115.67 3mcx s ALA 478 Ca -0.13 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 3mcx s ALA 478 Cb 0.16 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3mcx s ALA 478 CO 0.77 -1.55 1.26 -0.51 0.00 0.00 0.00 175.76 175.73 3mcx s LEU 479 N 3.69 3.49 0.34 0.00 1.43 -0.20 -4.94 118.68 122.49 3mcx s LEU 479 Ca 0.45 2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 55.78 3mcx s LEU 479 Cb -0.12 -4.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.39 3mcx s LEU 479 CO 0.17 -2.09 1.34 -2.16 0.23 0.00 0.00 176.35 173.84 3mcx s PRO 480 N -3.56 4.32 0.36 1.29 0.04 -1.26 -4.68 135.00 131.51 3mcx s PRO 480 Ca 0.80 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.83 3mcx s PRO 480 Cb -0.34 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 3mcx s PRO 480 CO 0.41 -0.25 1.43 0.42 0.04 0.00 0.00 177.00 179.05 3mcx s ILE 481 N -1.10 2.28 0.34 0.56 -1.09 -1.26 -4.80 121.20 116.13 3mcx s ILE 481 Ca 0.50 0.28 -0.28 0.00 -2.23 0.00 0.00 60.65 58.92 3mcx s ILE 481 Cb -0.41 -3.18 -0.12 0.00 -1.58 0.00 0.00 42.46 37.17 3mcx s ILE 481 CO 0.54 0.07 1.26 -2.65 -1.23 0.00 0.00 174.94 172.93 3mcx n PRO 482 N 0.63 2.05 0.25 2.79 -0.02 -1.26 -4.70 135.00 134.75 3mcx n PRO 482 Ca 0.01 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 3mcx n PRO 482 Cb 0.40 -2.28 0.63 0.00 -0.02 0.00 0.00 33.50 32.23 3mcx n PRO 482 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mcx h GLN 483 N 2.50 0.00 -0.75 -0.52 5.75 -1.50 -0.84 115.11 119.74 3mcx h GLN 483 Ca -0.45 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.13 3mcx h GLN 483 Cb 1.29 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.77 3mcx h GLN 483 CO 0.62 0.04 0.41 0.66 -2.65 0.00 0.00 178.83 177.92 3mcx h SER 484 N 0.00 0.59 -0.35 -0.69 4.64 -1.89 0.13 113.55 115.98 3mcx h SER 484 Ca -0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3mcx h SER 484 Cb 0.08 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3mcx h SER 484 CO 0.01 0.35 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.94 3mcx h GLU 485 N 0.72 0.65 -0.55 4.77 4.39 -1.51 -2.37 114.58 120.68 3mcx h GLU 485 Ca 0.35 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3mcx h GLU 485 Cb 0.30 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3mcx h GLU 485 CO -0.23 0.80 0.34 0.82 -1.16 0.00 0.00 179.01 179.58 3mcx h ILE 486 N 0.45 1.16 -0.64 3.13 1.08 -1.06 -1.12 117.51 120.51 3mcx h ILE 486 Ca 0.09 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.15 3mcx h ILE 486 Cb 0.54 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3mcx h ILE 486 CO 0.03 0.16 0.17 0.44 -0.69 0.00 0.00 178.15 178.26 3mcx h ASP 487 N 0.74 0.94 0.66 1.72 3.32 -0.78 -3.30 116.42 119.72 3mcx h ASP 487 Ca 0.20 -0.18 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 3mcx h ASP 487 Cb -0.03 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 3mcx h ASP 487 CO -0.04 0.90 -1.45 0.00 -1.72 0.00 0.00 179.24 176.93 3mcx h ALA 488 N 1.22 0.59 -3.05 3.45 0.00 -1.19 -3.44 119.26 116.84 3mcx h ALA 488 Ca 0.21 -1.25 -0.57 0.00 0.00 0.00 0.00 54.91 53.30 3mcx h ALA 488 Cb 0.32 0.25 -0.40 0.00 0.00 0.00 0.00 17.79 17.96 3mcx h ALA 488 CO -0.00 1.44 -0.76 1.21 0.00 0.00 0.00 179.25 181.13 3mcx s ASN 489 N -6.38 3.89 0.20 0.00 3.84 -0.44 -5.00 114.94 111.05 3mcx s ASN 489 Ca -0.03 -1.60 0.17 0.00 0.21 0.00 0.00 52.86 51.61 3mcx s ASN 489 Cb 0.09 -0.74 0.81 0.00 -0.55 0.00 0.00 41.25 40.86 3mcx s ASN 489 CO 0.82 -0.41 1.51 -0.81 -2.79 0.00 0.00 177.10 175.42 3mcx n PRO 490 N 4.89 0.11 0.00 0.43 -0.04 -1.26 -1.89 135.00 137.23 3mcx n PRO 490 Ca -0.02 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3mcx n PRO 490 Cb 0.42 -1.78 0.62 0.00 -0.04 0.00 0.00 33.50 32.71 3mcx n PRO 490 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3mcx n ASN 491 N -2.00 0.07 -4.55 3.54 3.02 -1.26 -4.73 115.26 109.34 3mcx n ASN 491 Ca 0.00 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3mcx n ASN 491 Cb 0.09 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.80 3mcx n ASN 491 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mcx s ILE 492 N -2.88 5.13 0.20 2.41 -1.09 -0.79 -4.40 121.20 119.77 3mcx s ILE 492 Ca 0.18 0.16 -0.21 0.00 -2.23 0.00 0.00 60.65 58.54 3mcx s ILE 492 Cb 0.19 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 37.14 3mcx s ILE 492 CO 0.53 -0.11 0.73 -1.10 -1.23 0.00 0.00 174.94 173.76 3mcx s GLN 493 N 2.12 4.35 0.43 2.79 -0.21 -1.26 -4.79 119.66 123.10 3mcx s GLN 493 Ca 0.14 0.96 -0.20 0.00 0.02 0.00 0.00 55.36 56.28 3mcx s GLN 493 Cb -0.16 -3.02 -0.10 0.00 1.00 0.00 0.00 33.01 30.73 3mcx s GLN 493 CO 0.12 0.46 0.94 -1.14 -2.12 0.00 0.00 175.29 173.55 3mcx s GLN 494 N -1.67 4.17 0.28 2.91 2.00 -1.26 -4.93 119.66 121.17 3mcx s GLN 494 Ca 0.40 1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 54.53 3mcx s GLN 494 Cb -0.19 -2.19 -0.10 0.00 0.80 0.00 0.00 33.01 31.33 3mcx s GLN 494 CO 0.22 -0.05 1.47 -0.80 -0.50 0.00 0.00 175.29 175.63 3mcx s ASN 495 N -2.31 6.57 0.73 6.67 0.01 -1.26 -4.99 114.94 120.35 3mcx s ASN 495 Ca 0.61 2.77 -0.13 0.00 -0.71 0.00 0.00 52.86 55.40 3mcx s ASN 495 Cb -0.09 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 38.97 3mcx s ASN 495 CO 0.16 -0.75 1.13 -2.16 -1.51 0.00 0.00 177.10 173.97 3mcx s PRO 496 N -0.71 2.34 0.00 -0.60 0.04 -1.26 -4.96 135.00 129.85 3mcx s PRO 496 Ca 0.58 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3mcx s PRO 496 Cb -0.43 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3mcx s PRO 496 CO 0.47 -1.61 0.19 0.54 0.04 0.00 0.00 177.00 176.63