#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdn s ARG 3 N 0.00 4.32 0.05 0.00 0.52 -1.26 -4.61 118.95 117.98 3mdn s ARG 3 Ca 0.00 2.27 -0.00 0.00 -0.52 0.00 0.00 55.73 57.47 3mdn s ARG 3 Cb 0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3mdn s ARG 3 CO 0.00 -0.24 -0.04 1.67 0.02 0.00 0.00 175.30 176.71 3mdn s TRP 4 N -1.10 0.56 0.01 -0.53 1.48 -1.26 0.22 118.94 118.31 3mdn s TRP 4 Ca 0.50 -0.96 0.01 0.00 -1.06 0.00 0.00 56.10 54.59 3mdn s TRP 4 Cb -0.41 -0.39 -0.01 0.00 -1.16 0.00 0.00 33.47 31.51 3mdn s TRP 4 CO 0.54 -0.31 -0.04 0.00 -4.06 0.00 0.00 176.95 173.08 3mdn s ALA 5 N -3.47 0.31 0.06 2.67 0.00 -0.18 -1.52 121.76 119.63 3mdn s ALA 5 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3mdn s ALA 5 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3mdn s ALA 5 CO -0.08 0.01 -0.10 0.00 0.00 0.00 0.00 175.76 175.59 3mdn s ALA 6 N -0.59 0.86 0.01 0.00 0.00 0.47 -0.54 121.76 121.98 3mdn s ALA 6 Ca -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3mdn s ALA 6 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3mdn s ALA 6 CO -0.00 0.04 -0.05 -0.47 0.00 0.00 0.00 175.76 175.28 3mdn s TYR 7 N -1.51 0.41 -0.17 0.00 5.04 -0.19 -1.30 117.35 119.63 3mdn s TYR 7 Ca -0.05 -0.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.32 3mdn s TYR 7 Cb -0.09 -0.26 0.08 0.00 0.35 0.00 0.00 41.96 42.04 3mdn s TYR 7 CO 0.01 -0.04 0.27 -1.58 -1.34 0.00 0.00 175.55 172.87 3mdn s HIS 8 N -0.53 -0.46 -4.41 4.97 5.65 -0.77 -2.02 115.29 117.72 3mdn s HIS 8 Ca -0.03 0.76 0.00 0.00 0.25 0.00 0.00 55.06 56.04 3mdn s HIS 8 Cb -0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 32.58 31.25 3mdn s HIS 8 CO -0.00 -0.49 0.00 0.41 -0.65 0.00 0.00 174.74 174.01 3mdn n GLY 9 N 5.35 -0.50 3.71 1.59 0.00 -0.29 -0.63 105.19 114.41 3mdn n GLY 9 Ca -0.06 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3mdn n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mdn s THR 10 N -4.00 3.08 0.17 2.61 2.01 -0.37 -4.37 115.64 114.78 3mdn s THR 10 Ca 0.00 0.71 -0.33 0.00 0.31 0.00 0.00 61.69 62.38 3mdn s THR 10 Cb 0.00 -3.45 -0.16 0.00 0.01 0.00 0.00 72.50 68.90 3mdn s THR 10 CO 0.00 0.04 1.20 -2.65 -0.69 0.00 0.00 174.62 172.52 3mdn n PRO 11 N 4.47 1.23 -4.39 4.92 -0.02 -1.26 -4.77 135.00 135.18 3mdn n PRO 11 Ca 0.13 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 3mdn n PRO 11 Cb 0.41 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 3mdn n PRO 11 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3mdn s ILE 12 N -0.10 1.26 0.36 4.25 -4.36 -0.76 -4.81 121.20 117.04 3mdn s ILE 12 Ca 0.74 -2.05 -0.28 0.00 -0.26 0.00 0.00 60.65 58.80 3mdn s ILE 12 Cb -0.85 -2.49 -0.10 0.00 1.25 0.00 0.00 42.46 40.27 3mdn s ILE 12 CO 0.51 -0.23 1.37 -0.36 0.24 0.00 0.00 174.94 176.47 3mdn s PHE 13 N -3.26 2.84 0.38 1.37 0.08 -1.26 -0.77 117.98 117.36 3mdn s PHE 13 Ca 0.31 1.33 0.11 0.00 0.12 0.00 0.00 56.93 58.80 3mdn s PHE 13 Cb 0.06 -3.80 0.88 0.00 -0.57 0.00 0.00 43.02 39.60 3mdn s PHE 13 CO 0.11 -2.29 1.89 -0.07 -0.10 0.00 0.00 175.22 174.77 3mdn h LEU 14 N 3.10 0.57 -2.66 -0.37 3.38 -1.37 -1.35 115.31 116.61 3mdn h LEU 14 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3mdn h LEU 14 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3mdn h LEU 14 CO 0.64 0.30 0.00 1.05 0.09 0.00 0.00 178.44 180.52 3mdn h GLU 15 N 0.61 0.00 0.00 1.13 4.11 -1.70 -1.66 114.58 117.07 3mdn h GLU 15 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3mdn h GLU 15 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mdn h GLU 15 CO -0.17 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.66 3mdn n ASP 16 N -3.08 0.00 -1.99 3.06 8.00 -0.51 -2.70 116.55 119.33 3mdn n ASP 16 Ca -0.02 -0.30 0.01 0.00 0.71 0.00 0.00 54.79 55.19 3mdn n ASP 16 Cb 0.12 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3mdn n ASP 16 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3mdn n VAL 17 N -1.20 0.42 -4.48 2.53 0.24 -0.67 -5.07 118.33 110.10 3mdn n VAL 17 Ca 0.14 -1.51 -0.23 0.00 -2.04 0.00 0.00 64.34 60.70 3mdn n VAL 17 Cb 0.17 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.49 3mdn n VAL 17 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3mdn s ILE 18 N -1.25 0.93 0.00 1.34 1.01 -0.91 -4.84 121.20 117.47 3mdn s ILE 18 Ca 0.25 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.90 3mdn s ILE 18 Cb 0.32 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3mdn s ILE 18 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.45 3mdn n GLY 43 N -0.78 0.00 3.28 6.18 0.00 -1.26 -4.80 105.19 107.81 3mdn n GLY 43 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3mdn n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mdn s PHE 44 N 0.00 -0.05 -0.01 1.61 5.36 0.46 -4.71 117.98 120.64 3mdn s PHE 44 Ca 0.00 -0.31 -0.28 0.00 -0.96 0.00 0.00 56.93 55.38 3mdn s PHE 44 Cb 0.00 0.14 0.09 0.00 -0.34 0.00 0.00 43.02 42.91 3mdn s PHE 44 CO 0.00 -0.65 0.78 0.20 -1.46 0.00 0.00 175.22 174.09 3mdn s GLY 45 N -2.83 -0.49 -0.04 13.12 0.00 -1.05 -1.73 107.32 114.30 3mdn s GLY 45 Ca 0.04 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 3mdn s GLY 45 CO -0.11 0.60 0.09 0.54 0.00 0.00 0.00 173.10 174.22 3mdn s VAL 46 N -2.34 -0.02 -0.13 1.40 0.11 0.19 -1.29 120.40 118.32 3mdn s VAL 46 Ca -0.02 0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.10 3mdn s VAL 46 Cb -0.01 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 3mdn s VAL 46 CO -0.03 0.03 -0.12 0.00 -3.33 0.00 0.00 175.10 171.65 3mdn s ALA 47 N 0.45 2.68 0.02 1.54 0.00 0.26 -0.98 121.76 125.74 3mdn s ALA 47 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3mdn s ALA 47 Cb -0.05 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3mdn s ALA 47 CO -0.02 0.26 -0.04 1.67 0.00 0.00 0.00 175.76 177.64 3mdn s TRP 48 N 0.29 0.31 -0.15 0.00 -2.14 -0.07 -0.51 118.94 116.67 3mdn s TRP 48 Ca -0.09 -0.49 -0.04 0.00 2.66 0.00 0.00 56.10 58.14 3mdn s TRP 48 Cb -0.15 -0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 29.98 3mdn s TRP 48 CO 0.05 -0.16 -0.03 0.71 -2.66 0.00 0.00 176.95 174.86 3mdn s TYR 49 N -1.35 3.04 0.00 1.66 1.51 -0.56 0.63 117.35 122.28 3mdn s TYR 49 Ca -0.14 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3mdn s TYR 49 Cb -0.09 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 3mdn s TYR 49 CO -0.01 -0.00 0.00 -3.47 -1.11 0.00 0.00 175.55 170.96 3mdn n ASP 50 N 3.47 0.00 -0.18 2.29 2.03 -1.26 -4.12 116.55 118.78 3mdn n ASP 50 Ca -0.17 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.16 3mdn n ASP 50 Cb 0.52 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.94 3mdn n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mdn n ALA 51 N -1.19 2.50 -2.42 -1.67 0.00 -1.26 -4.99 120.51 111.47 3mdn n ALA 51 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3mdn n ALA 51 Cb 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.17 3mdn n ALA 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3mdn s ARG 52 N -0.46 1.50 0.57 0.00 0.52 -1.26 -5.01 118.95 114.80 3mdn s ARG 52 Ca 0.05 -1.50 0.35 0.00 -0.52 0.00 0.00 55.73 54.11 3mdn s ARG 52 Cb 0.04 -1.85 1.62 0.00 0.52 0.00 0.00 34.95 35.29 3mdn s ARG 52 CO 0.07 0.41 2.09 -1.35 0.02 0.00 0.00 175.30 176.53 3mdn h PRO 53 N 3.32 0.00 -6.42 3.54 0.11 -1.98 -3.43 132.00 127.13 3mdn h PRO 53 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.11 3mdn h PRO 53 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3mdn h PRO 53 CO 0.46 0.04 -0.16 -1.21 -0.21 0.00 0.00 178.00 176.92 3mdn s GLU 54 N -3.89 3.68 0.38 1.05 8.01 -1.26 -4.57 118.70 122.10 3mdn s GLU 54 Ca -0.01 0.07 -0.15 0.00 0.01 0.00 0.00 54.97 54.89 3mdn s GLU 54 Cb 0.11 -2.68 -0.09 0.00 -4.31 0.00 0.00 34.13 27.16 3mdn s GLU 54 CO 0.52 0.29 0.80 -1.25 0.01 0.00 0.00 175.26 175.63 3mdn s PRO 55 N -3.19 3.98 0.37 0.39 0.04 -1.26 -4.78 135.00 130.55 3mdn s PRO 55 Ca 0.44 0.72 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 3mdn s PRO 55 Cb -0.11 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3mdn s PRO 55 CO 0.26 0.04 1.15 0.20 0.04 0.00 0.00 177.00 178.69 3mdn s GLY 56 N -2.55 2.89 -0.08 0.56 0.00 0.21 -4.82 107.32 103.53 3mdn s GLY 56 Ca 0.55 0.93 0.00 0.00 0.00 0.00 0.00 44.72 46.21 3mdn s GLY 56 CO 0.21 1.46 -0.06 -2.27 0.00 0.00 0.00 173.10 172.44 3mdn s LEU 57 N -2.27 1.16 -0.12 0.66 2.96 -1.26 -0.89 118.68 118.93 3mdn s LEU 57 Ca 0.54 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3mdn s LEU 57 Cb -0.30 -0.67 0.01 0.00 0.50 0.00 0.00 46.19 45.73 3mdn s LEU 57 CO 0.38 -0.09 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.68 3mdn s TYR 58 N 1.42 2.19 -0.21 5.38 6.14 -0.15 -5.00 117.35 127.12 3mdn s TYR 58 Ca -0.02 -1.06 -0.14 0.00 0.64 0.00 0.00 57.07 56.49 3mdn s TYR 58 Cb -0.13 -1.55 0.06 0.00 0.42 0.00 0.00 41.96 40.76 3mdn s TYR 58 CO -0.04 -0.52 0.53 -0.98 0.64 0.00 0.00 175.55 175.18 3mdn s ARG 59 N 0.94 0.55 0.22 4.97 1.70 -1.26 -0.63 118.95 125.44 3mdn s ARG 59 Ca -0.07 0.89 -0.06 0.00 -0.47 0.00 0.00 55.73 56.02 3mdn s ARG 59 Cb -0.15 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.34 3mdn s ARG 59 CO -0.02 -0.13 0.29 0.34 -1.08 0.00 0.00 175.30 174.71 3mdn s ASP 60 N 1.09 0.04 -0.76 -2.89 -1.08 -0.71 -4.97 116.67 107.40 3mdn s ASP 60 Ca -0.06 -1.18 -0.00 0.00 -0.52 0.00 0.00 52.55 50.78 3mdn s ASP 60 Cb -0.06 0.48 0.36 0.00 -1.46 0.00 0.00 42.92 42.24 3mdn s ASP 60 CO -0.10 -0.98 1.83 1.33 0.52 0.00 0.00 175.17 177.76 3mdn n VAL 61 N -0.32 3.37 -3.52 1.11 0.24 -1.26 -0.40 118.33 117.54 3mdn n VAL 61 Ca 0.00 -4.47 -0.13 0.00 -2.04 0.00 0.00 64.34 57.71 3mdn n VAL 61 Cb 0.64 -1.25 -0.11 0.00 -1.47 0.00 0.00 33.84 31.65 3mdn n VAL 61 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3mdn s TYR 62 N -3.97 -0.55 -0.45 6.34 6.04 -1.26 -4.65 117.35 118.84 3mdn s TYR 62 Ca 0.51 0.78 -0.17 0.00 0.04 0.00 0.00 57.07 58.23 3mdn s TYR 62 Cb 0.43 -0.07 -0.11 0.00 -1.04 0.00 0.00 41.96 41.17 3mdn s TYR 62 CO -0.37 -0.55 1.31 -2.30 -1.54 0.00 0.00 175.55 172.11 3mdn n PRO 63 N 5.35 0.00 -0.38 4.97 -0.02 -1.26 -4.51 135.00 139.16 3mdn n PRO 63 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3mdn n PRO 63 Cb 0.50 -0.76 0.03 0.00 -0.02 0.00 0.00 33.50 33.25 3mdn n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mdn h ALA 64 N 5.78 0.13 -0.36 3.55 0.00 -1.94 0.82 119.26 127.24 3mdn h ALA 64 Ca -0.03 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3mdn h ALA 64 Cb 0.68 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3mdn h ALA 64 CO 0.67 -0.64 -0.19 -2.67 0.00 0.00 0.00 179.25 176.43 3mdn n TRP 65 N -5.46 -0.09 -2.70 0.00 4.27 -1.26 -2.34 117.44 109.85 3mdn n TRP 65 Ca 0.10 0.45 -0.21 0.00 -3.89 0.00 0.00 57.50 53.95 3mdn n TRP 65 Cb 0.39 -0.57 -0.00 0.00 -1.36 0.00 0.00 31.31 29.77 3mdn n TRP 65 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3mdn n SER 66 N -4.48 3.22 -4.54 -0.67 2.88 0.27 -4.96 113.62 105.33 3mdn n SER 66 Ca 0.02 -3.33 -0.41 0.00 -1.33 0.00 0.00 58.87 53.82 3mdn n SER 66 Cb 0.11 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 62.96 3mdn n SER 66 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mdn s ASP 67 N -3.27 6.19 0.35 -3.46 -1.08 -0.99 -4.94 116.67 109.47 3mdn s ASP 67 Ca 0.41 -0.23 0.06 0.00 -0.52 0.00 0.00 52.55 52.26 3mdn s ASP 67 Cb 0.39 -2.20 0.66 0.00 -1.46 0.00 0.00 42.92 40.31 3mdn s ASP 67 CO -0.10 -0.35 1.90 1.55 0.52 0.00 0.00 175.17 178.69 3mdn h PRO 68 N 8.47 0.47 -0.42 4.34 0.13 -1.93 -1.15 132.00 141.91 3mdn h PRO 68 Ca -0.30 -0.09 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 3mdn h PRO 68 Cb 1.14 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3mdn h PRO 68 CO 0.70 0.50 -0.30 -0.91 -0.23 0.00 0.00 178.00 177.76 3mdn h ASN 69 N 0.45 0.98 -0.45 1.44 2.35 -1.99 -0.77 115.58 117.59 3mdn h ASN 69 Ca 0.10 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 3mdn h ASN 69 Cb 0.31 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3mdn h ASN 69 CO 0.01 1.20 0.23 0.25 -1.65 0.00 0.00 177.43 177.46 3mdn h LEU 70 N 0.79 0.58 -1.04 1.61 5.85 -1.92 -1.01 115.31 120.17 3mdn h LEU 70 Ca 0.08 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3mdn h LEU 70 Cb 0.88 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 3mdn h LEU 70 CO 0.08 0.53 0.64 0.03 -0.34 0.00 0.00 178.44 179.37 3mdn h ARG 71 N 0.58 1.08 0.16 1.25 2.47 -0.97 0.59 114.38 119.54 3mdn h ARG 71 Ca 0.15 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3mdn h ARG 71 Cb 0.10 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 3mdn h ARG 71 CO -0.02 0.71 -0.08 0.00 0.56 0.00 0.00 179.97 181.14 3mdn h ALA 72 N 1.49 -0.21 -0.05 0.04 0.00 -0.91 -2.30 119.26 117.31 3mdn h ALA 72 Ca 0.44 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3mdn h ALA 72 Cb 0.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3mdn h ALA 72 CO -0.19 -0.40 -0.21 0.28 0.00 0.00 0.00 179.25 178.74 3mdn h VAL 73 N -0.66 0.50 -0.12 0.00 2.07 -0.86 -0.51 116.25 116.67 3mdn h VAL 73 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3mdn h VAL 73 Cb 0.49 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3mdn h VAL 73 CO 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 3mdn h ALA 74 N 0.62 1.57 0.00 1.67 0.00 -0.99 0.97 119.26 123.10 3mdn h ALA 74 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3mdn h ALA 74 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mdn h ALA 74 CO -0.23 0.31 -0.33 1.25 0.00 0.00 0.00 179.25 180.25 3mdn h HIS 75 N 0.17 0.00 0.00 0.00 6.17 -0.95 -2.22 115.15 118.32 3mdn h HIS 75 Ca 0.04 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 3mdn h HIS 75 Cb 0.34 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.27 3mdn h HIS 75 CO 0.00 0.33 -1.08 0.72 0.71 0.00 0.00 177.93 178.61 3mdn n HIS 76 N -3.40 0.00 -3.39 5.26 8.25 -0.24 -4.96 115.22 116.74 3mdn n HIS 76 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3mdn n HIS 76 Cb 0.53 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 3mdn n HIS 76 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mdn s VAL 77 N -2.11 5.14 -0.07 1.59 1.01 0.28 -5.04 120.40 121.20 3mdn s VAL 77 Ca -0.01 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3mdn s VAL 77 Cb 0.01 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3mdn s VAL 77 CO 0.07 0.41 -0.06 -0.13 0.00 0.00 0.00 175.10 175.39 3mdn s ARG 78 N 0.09 2.76 -0.06 2.72 0.52 -1.26 -2.15 118.95 121.57 3mdn s ARG 78 Ca 0.24 -0.54 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 3mdn s ARG 78 Cb -0.15 -2.61 0.04 0.00 0.52 0.00 0.00 34.95 32.75 3mdn s ARG 78 CO 0.11 0.67 0.47 0.45 0.02 0.00 0.00 175.30 177.01 3mdn s SER 79 N -0.82 -0.41 0.00 0.23 0.15 0.05 -4.85 113.70 108.06 3mdn s SER 79 Ca 0.13 0.46 0.20 0.00 0.70 0.00 0.00 55.95 57.44 3mdn s SER 79 Cb -0.11 0.51 0.46 0.00 -1.71 0.00 0.00 66.02 65.17 3mdn s SER 79 CO 0.02 -0.45 1.39 0.61 1.20 0.00 0.00 173.24 176.00 3mdn n GLY 80 N 1.43 2.02 3.15 9.45 0.00 -1.26 -1.83 105.19 118.15 3mdn n GLY 80 Ca -0.19 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.19 3mdn n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mdn s LEU 81 N -1.22 -1.22 0.12 0.99 0.20 -1.26 -1.14 118.68 115.15 3mdn s LEU 81 Ca 0.38 0.70 -0.10 0.00 0.69 0.00 0.00 54.13 55.81 3mdn s LEU 81 Cb 0.21 2.00 0.00 0.00 -0.43 0.00 0.00 46.19 47.97 3mdn s LEU 81 CO 0.29 -0.23 0.25 0.72 -0.29 0.00 0.00 176.35 177.08 3mdn s PHE 82 N 2.88 0.19 -0.05 5.38 -0.12 -0.86 -1.50 117.98 123.91 3mdn s PHE 82 Ca 0.16 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.48 3mdn s PHE 82 Cb -0.14 -0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.24 3mdn s PHE 82 CO -0.20 -0.62 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.72 3mdn s LEU 83 N -2.89 1.73 0.01 -1.99 1.02 0.34 -1.03 118.68 115.87 3mdn s LEU 83 Ca 0.09 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.98 3mdn s LEU 83 Cb 0.04 -0.75 -0.01 0.00 0.02 0.00 0.00 46.19 45.49 3mdn s LEU 83 CO -0.07 0.07 -0.03 -0.94 0.02 0.00 0.00 176.35 175.39 3mdn s SER 84 N 0.39 0.32 -0.04 2.29 1.04 0.30 -0.57 113.70 117.43 3mdn s SER 84 Ca -0.09 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.17 3mdn s SER 84 Cb -0.13 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3mdn s SER 84 CO 0.02 -0.08 -0.14 -2.28 0.98 0.00 0.00 173.24 171.74 3mdn s HIS 85 N -0.56 1.47 0.00 5.02 2.46 -0.41 -1.01 115.29 122.26 3mdn s HIS 85 Ca -0.05 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.05 3mdn s HIS 85 Cb -0.04 -1.02 0.00 0.00 -0.13 0.00 0.00 32.58 31.39 3mdn s HIS 85 CO -0.00 -0.17 0.00 0.28 -2.47 0.00 0.00 174.74 172.38 3mdn n VAL 86 N 3.30 0.00 0.23 0.89 0.31 0.58 -2.52 118.33 121.12 3mdn n VAL 86 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3mdn n VAL 86 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3mdn n VAL 86 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3mdn n ASN 97 N 0.48 0.00 -0.50 4.52 3.02 -1.26 -4.79 115.26 116.73 3mdn n ASN 97 Ca 0.00 0.34 0.06 0.00 -0.03 0.00 0.00 54.58 54.95 3mdn n ASN 97 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 3mdn n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mdn n ASN 98 N -1.94 2.16 -4.86 6.41 4.13 -1.26 -4.00 115.26 115.90 3mdn n ASN 98 Ca 0.00 -1.58 -0.35 0.00 1.68 0.00 0.00 54.58 54.32 3mdn n ASN 98 Cb 0.76 -0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.90 3mdn n ASN 98 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mdn s HIS 100 N -1.36 2.96 1.09 0.00 0.09 -1.26 -4.55 115.29 112.25 3mdn s HIS 100 Ca 0.33 -0.12 -0.14 0.00 -0.00 0.00 0.00 55.06 55.13 3mdn s HIS 100 Cb -0.15 -2.42 0.24 0.00 -0.00 0.00 0.00 32.58 30.25 3mdn s HIS 100 CO 0.18 -0.48 1.07 -2.14 -0.00 0.00 0.00 174.74 173.36 3mdn s PRO 101 N -4.49 -0.33 0.17 8.40 0.02 -1.26 -3.40 135.00 134.10 3mdn s PRO 101 Ca 0.53 0.49 0.06 0.00 0.02 0.00 0.00 61.00 62.09 3mdn s PRO 101 Cb -0.10 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 3mdn s PRO 101 CO 0.35 -3.24 0.08 -0.06 -0.33 0.00 0.00 177.00 173.81 3mdn s PHE 102 N -2.81 3.03 0.01 6.54 0.08 -0.11 -4.95 117.98 119.77 3mdn s PHE 102 Ca 0.67 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.66 3mdn s PHE 102 Cb -0.19 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3mdn s PHE 102 CO 0.59 0.52 -0.03 0.00 -0.10 0.00 0.00 175.22 176.20 3mdn s ALA 103 N -1.75 0.19 -0.22 5.36 0.00 -1.26 -0.91 121.76 123.18 3mdn s ALA 103 Ca 0.30 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 3mdn s ALA 103 Cb -0.10 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3mdn s ALA 103 CO 0.22 -0.05 0.53 0.00 0.00 0.00 0.00 175.76 176.45 3mdn s ALA 104 N -0.82 -1.44 0.00 0.00 0.00 0.45 -5.00 121.76 114.96 3mdn s ALA 104 Ca -0.08 1.92 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3mdn s ALA 104 Cb -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3mdn s ALA 104 CO -0.00 -0.40 0.00 0.54 0.00 0.00 0.00 175.76 175.90 3mdn n ARG 105 N 4.47 0.00 0.00 0.00 1.74 -1.26 -1.36 116.66 120.25 3mdn n ARG 105 Ca -0.20 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.03 3mdn n ARG 105 Cb 0.56 0.00 0.78 0.00 -1.02 0.00 0.00 32.46 32.78 3mdn n ARG 105 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mdn n ARG 106 N 14.00 0.51 -4.00 5.56 1.74 -1.26 -4.43 116.66 128.78 3mdn n ARG 106 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 3mdn n ARG 106 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3mdn n ARG 106 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mdn s TRP 107 N -2.48 3.43 0.13 -1.55 0.52 -0.47 -3.86 118.94 114.66 3mdn s TRP 107 Ca 0.31 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.76 3mdn s TRP 107 Cb 0.20 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 3mdn s TRP 107 CO 0.44 0.61 -0.06 0.00 0.02 0.00 0.00 176.95 177.97 3mdn s PHE 109 N -3.55 0.60 0.00 0.00 2.19 -0.08 -1.31 117.98 115.82 3mdn s PHE 109 Ca 0.16 -0.97 0.00 0.00 0.33 0.00 0.00 56.93 56.46 3mdn s PHE 109 Cb 0.05 0.20 0.00 0.00 -1.31 0.00 0.00 43.02 41.95 3mdn s PHE 109 CO -0.01 -1.15 0.00 1.58 1.83 0.00 0.00 175.22 177.46 3mdn n HIS 111 N -0.48 0.00 -4.24 10.12 -0.00 -1.26 -0.94 115.22 118.41 3mdn n HIS 111 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.36 3mdn n HIS 111 Cb 0.61 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.48 3mdn n HIS 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mdn s ASN 112 N 0.00 4.92 0.00 0.26 3.04 0.18 -4.97 114.94 118.37 3mdn s ASN 112 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 52.86 52.77 3mdn s ASN 112 Cb 0.00 -1.82 0.00 0.00 -1.54 0.00 0.00 41.25 37.89 3mdn s ASN 112 CO 0.00 0.14 0.00 0.61 -3.04 0.00 0.00 177.10 174.81 3mdn n GLY 113 N 3.76 0.63 3.56 1.21 0.00 -1.26 -0.67 105.19 112.43 3mdn n GLY 113 Ca -0.17 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 3mdn n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mdn s GLN 114 N -1.85 0.54 -0.31 1.61 -2.07 -0.07 -4.97 119.66 112.54 3mdn s GLN 114 Ca 0.00 -0.08 -0.06 0.00 -1.82 0.00 0.00 55.36 53.40 3mdn s GLN 114 Cb 0.00 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 3mdn s GLN 114 CO 0.00 -0.21 0.08 0.08 -1.32 0.00 0.00 175.29 173.92 3mdn s VAL 115 N -2.08 3.80 0.20 3.63 1.01 -1.26 -0.85 120.40 124.85 3mdn s VAL 115 Ca 0.04 -0.92 -0.32 0.00 0.00 0.00 0.00 61.98 60.78 3mdn s VAL 115 Cb -0.01 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 33.20 3mdn s VAL 115 CO -0.04 -0.03 1.61 0.61 0.00 0.00 0.00 175.10 177.25 3mdn n GLY 116 N 4.83 1.25 2.36 4.51 0.00 0.15 -2.53 105.19 115.75 3mdn n GLY 116 Ca -0.14 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 3mdn n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdn n GLY 117 N 3.28 0.77 0.27 -0.02 0.00 -1.25 -2.75 105.19 105.48 3mdn n GLY 117 Ca 0.15 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3mdn n GLY 117 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mdn h PHE 118 N 0.00 0.28 -0.98 1.61 3.57 -1.86 -0.41 116.94 119.15 3mdn h PHE 118 Ca -0.31 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.41 3mdn h PHE 118 Cb 1.07 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 3mdn h PHE 118 CO 0.39 -0.09 0.61 0.93 -2.23 0.00 0.00 178.31 177.93 3mdn h GLU 119 N 0.27 0.72 0.00 1.11 5.08 -1.91 -0.12 114.58 119.73 3mdn h GLU 119 Ca 0.42 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3mdn h GLU 119 Cb 0.72 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3mdn h GLU 119 CO -0.51 0.48 -0.02 0.00 -1.00 0.00 0.00 179.01 177.95 3mdn h ALA 120 N 1.62 1.04 0.00 3.43 0.00 -1.40 -3.18 119.26 120.77 3mdn h ALA 120 Ca 0.54 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 3mdn h ALA 120 Cb 0.87 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.47 3mdn h ALA 120 CO -0.32 0.03 -0.74 1.97 0.00 0.00 0.00 179.25 180.19 3mdn n PHE 121 N -3.17 0.00 -0.35 0.00 -1.74 -0.15 -4.89 117.46 107.17 3mdn n PHE 121 Ca -0.01 -0.83 0.09 0.00 -0.56 0.00 0.00 57.45 56.14 3mdn n PHE 121 Cb 0.22 -0.17 0.27 0.00 1.52 0.00 0.00 39.48 41.32 3mdn n PHE 121 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 3mdn h ARG 122 N 0.84 0.90 -0.24 3.97 2.43 -1.29 -2.07 114.38 118.93 3mdn h ARG 122 Ca -0.11 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3mdn h ARG 122 Cb 1.49 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3mdn h ARG 122 CO 0.05 0.60 0.02 -0.22 -1.51 0.00 0.00 179.97 178.90 3mdn h LYS 123 N 0.93 0.10 -0.53 0.20 3.64 -1.89 0.17 116.57 119.17 3mdn h LYS 123 Ca 0.50 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 3mdn h LYS 123 Cb 0.57 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3mdn h LYS 123 CO -0.27 0.06 0.26 1.96 -2.27 0.00 0.00 179.45 179.19 3mdn h GLN 124 N 0.10 0.75 -0.34 1.90 7.50 -1.82 -2.66 115.11 120.53 3mdn h GLN 124 Ca 0.11 -0.09 -0.12 0.00 0.50 0.00 0.00 58.65 59.05 3mdn h GLN 124 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 3mdn h GLN 124 CO -0.17 0.58 -0.25 0.00 -1.50 0.00 0.00 178.83 177.49 3mdn h ALA 125 N 1.54 0.49 0.00 3.87 0.00 -0.72 -3.11 119.26 121.33 3mdn h ALA 125 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mdn h ALA 125 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mdn h ALA 125 CO -0.03 0.49 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 3mdn n ASP 126 N -4.24 1.12 0.00 0.00 8.00 0.52 -3.88 116.55 118.07 3mdn n ASP 126 Ca -0.03 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3mdn n ASP 126 Cb 0.46 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3mdn n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mdn n ALA 128 N 1.82 0.00 -2.46 2.24 0.00 -1.18 -4.85 120.51 116.08 3mdn n ALA 128 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3mdn n ALA 128 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 3mdn n ALA 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mdn s ILE 129 N 0.00 4.17 0.64 0.00 1.01 -1.25 -4.95 121.20 120.81 3mdn s ILE 129 Ca 0.00 1.55 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 3mdn s ILE 129 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3mdn s ILE 129 CO 0.00 0.11 1.27 0.00 0.00 0.00 0.00 174.94 176.32 3mdn s ALA 130 N 1.14 2.39 0.30 9.38 0.00 -1.26 -4.78 121.76 128.93 3mdn s ALA 130 Ca 0.58 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.73 3mdn s ALA 130 Cb -0.28 -3.52 0.72 0.00 0.00 0.00 0.00 23.12 20.04 3mdn s ALA 130 CO 0.28 -1.52 1.77 -0.44 0.00 0.00 0.00 175.76 175.86 3mdn h ASP 131 N 0.56 0.75 -0.76 0.00 3.45 -1.99 -0.91 116.42 117.52 3mdn h ASP 131 Ca -0.51 0.10 0.13 0.00 0.43 0.00 0.00 57.03 57.18 3mdn h ASP 131 Cb 1.32 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 40.01 3mdn h ASP 131 CO 0.53 0.26 0.50 -0.08 -1.57 0.00 0.00 179.24 178.89 3mdn h GLU 132 N 0.74 0.52 -0.01 3.56 4.81 -2.03 -3.07 114.58 119.10 3mdn h GLU 132 Ca 0.57 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3mdn h GLU 132 Cb 0.89 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3mdn h GLU 132 CO -0.39 0.34 -0.50 1.19 -0.73 0.00 0.00 179.01 178.92 3mdn n PHE 133 N -4.50 0.00 0.11 0.92 3.72 -0.39 -4.51 117.46 112.82 3mdn n PHE 133 Ca 0.14 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.55 3mdn n PHE 133 Cb 0.45 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.34 3mdn n PHE 133 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3mdn h TYR 134 N 0.97 0.27 -0.57 1.38 5.03 -1.34 -1.33 116.97 121.38 3mdn h TYR 134 Ca 0.00 -0.04 0.17 0.00 2.58 0.00 0.00 58.73 61.44 3mdn h TYR 134 Cb 0.46 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 3mdn h TYR 134 CO 0.00 0.44 0.43 0.00 -1.32 0.00 0.00 178.16 177.71 3mdn h THR 135 N 0.23 0.66 0.00 1.81 1.03 -1.79 0.37 112.91 115.22 3mdn h THR 135 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 3mdn h THR 135 Cb 0.48 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 3mdn h THR 135 CO 0.03 0.00 0.00 -1.22 -0.01 0.00 0.00 175.52 174.32 3mdn n TYR 136 N -4.27 0.00 -2.61 0.00 4.02 -0.50 -4.73 117.16 109.07 3mdn n TYR 136 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.58 3mdn n TYR 136 Cb 0.66 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 3mdn n TYR 136 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3mdn s ARG 137 N -2.79 3.22 -0.14 -0.72 6.06 0.12 -4.84 118.95 119.86 3mdn s ARG 137 Ca 0.19 -0.46 0.13 0.00 -2.50 0.00 0.00 55.73 53.09 3mdn s ARG 137 Cb 0.18 -4.32 -0.18 0.00 0.06 0.00 0.00 34.95 30.69 3mdn s ARG 137 CO 0.44 -2.09 0.05 1.63 -2.50 0.00 0.00 175.30 172.83 3mdn n LYS 138 N 8.98 1.60 0.00 5.12 4.76 -1.26 -5.04 118.16 132.32 3mdn n LYS 138 Ca 0.05 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3mdn n LYS 138 Cb 0.49 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3mdn n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mdn n GLY 139 N 2.11 5.11 0.30 0.72 0.00 -1.26 -5.01 105.19 107.16 3mdn n GLY 139 Ca -0.24 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.01 3mdn n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mdn n SER 140 N 0.00 1.07 -4.88 1.61 3.41 -1.26 -5.05 113.62 108.51 3mdn n SER 140 Ca 0.00 -2.50 -0.30 0.00 -0.26 0.00 0.00 58.87 55.82 3mdn n SER 140 Cb 0.00 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3mdn n SER 140 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mdn s THR 141 N -1.31 4.15 0.20 6.66 -4.23 -1.26 -4.97 115.64 114.87 3mdn s THR 141 Ca 0.15 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.24 3mdn s THR 141 Cb 0.13 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.23 3mdn s THR 141 CO 0.01 -0.86 1.50 -2.24 -0.54 0.00 0.00 174.62 172.50 3mdn h ASP 142 N -0.40 0.48 -0.57 3.99 3.04 -1.98 -3.16 116.42 117.83 3mdn h ASP 142 Ca -0.45 -0.28 0.01 0.00 -3.24 0.00 0.00 57.03 53.08 3mdn h ASP 142 Cb 1.22 -0.14 -0.03 0.00 -1.04 0.00 0.00 39.33 39.34 3mdn h ASP 142 CO 0.63 0.97 0.37 0.28 -2.04 0.00 0.00 179.24 179.45 3mdn h SER 143 N 0.31 0.63 -0.44 4.15 0.02 -1.96 0.36 113.55 116.61 3mdn h SER 143 Ca -0.01 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3mdn h SER 143 Cb 1.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3mdn h SER 143 CO 0.11 0.45 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.10 3mdn h GLU 144 N 0.74 0.89 -0.67 3.45 4.81 -1.96 -1.92 114.58 119.92 3mdn h GLU 144 Ca 0.21 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3mdn h GLU 144 Cb -0.06 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3mdn h GLU 144 CO -0.06 0.92 0.19 0.28 -0.73 0.00 0.00 179.01 179.61 3mdn h VAL 145 N 0.81 1.26 -0.37 0.32 2.07 -1.36 -1.66 116.25 117.31 3mdn h VAL 145 Ca 0.14 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3mdn h VAL 145 Cb 0.57 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3mdn h VAL 145 CO 0.03 0.35 0.21 0.25 0.02 0.00 0.00 177.57 178.44 3mdn h LEU 146 N 0.99 0.33 -0.24 2.57 5.85 -0.60 0.19 115.31 124.41 3mdn h LEU 146 Ca 0.21 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3mdn h LEU 146 Cb 0.33 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3mdn h LEU 146 CO -0.00 0.24 -0.01 0.15 -0.34 0.00 0.00 178.44 178.48 3mdn h PHE 147 N 0.43 -0.03 -0.00 1.25 3.57 -1.06 0.43 116.94 121.52 3mdn h PHE 147 Ca 0.15 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 3mdn h PHE 147 Cb 0.02 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3mdn h PHE 147 CO -0.08 -0.05 -0.78 -0.07 -2.23 0.00 0.00 178.31 175.10 3mdn h LEU 148 N 0.06 0.08 -0.63 0.59 3.38 -1.11 -0.62 115.31 117.07 3mdn h LEU 148 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3mdn h LEU 148 Cb 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3mdn h LEU 148 CO -0.20 0.83 -0.01 0.25 0.09 0.00 0.00 178.44 179.40 3mdn h LEU 149 N 0.04 1.05 -0.50 1.67 6.46 -0.49 0.54 115.31 124.08 3mdn h LEU 149 Ca -0.02 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 3mdn h LEU 149 Cb 1.38 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 3mdn h LEU 149 CO 0.11 1.10 0.28 0.00 -0.62 0.00 0.00 178.44 179.31 3mdn h ALA 150 N 1.00 0.63 -0.82 1.25 0.00 -0.49 -0.02 119.26 120.82 3mdn h ALA 150 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3mdn h ALA 150 Cb 0.57 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3mdn h ALA 150 CO 0.03 0.14 0.54 -0.07 0.00 0.00 0.00 179.25 179.90 3mdn h LEU 151 N 0.66 0.93 -2.25 0.00 3.38 -0.87 -1.33 115.31 115.83 3mdn h LEU 151 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3mdn h LEU 151 Cb 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3mdn h LEU 151 CO -0.03 0.66 -0.03 0.28 0.09 0.00 0.00 178.44 179.41 3mdn h SER 152 N 1.09 0.00 -0.19 -0.43 0.02 -0.04 -1.56 113.55 112.45 3mdn h SER 152 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3mdn h SER 152 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3mdn h SER 152 CO -0.08 0.03 0.00 -0.62 -1.14 0.00 0.00 176.83 175.02 3mdn n GLU 153 N -3.99 1.97 -0.38 3.45 -0.58 -0.10 -4.90 120.64 116.11 3mdn n GLU 153 Ca -0.03 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.26 3mdn n GLU 153 Cb 0.12 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3mdn n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mdn n GLY 154 N 1.25 1.44 0.32 0.62 0.00 -0.59 -4.43 105.19 103.81 3mdn n GLY 154 Ca 0.17 -0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.16 3mdn n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mdn h LEU 155 N 0.00 0.33 -1.46 0.99 5.85 -1.37 0.19 115.31 119.85 3mdn h LEU 155 Ca 0.00 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.06 3mdn h LEU 155 Cb 0.16 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3mdn h LEU 155 CO 0.00 -0.10 0.54 -0.33 -0.34 0.00 0.00 178.44 178.21 3mdn h GLU 156 N 0.32 0.50 0.00 1.25 5.08 -1.86 -3.10 114.58 116.77 3mdn h GLU 156 Ca 0.64 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.81 3mdn h GLU 156 Cb 1.35 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3mdn h GLU 156 CO -0.60 0.33 -1.76 -2.39 -1.00 0.00 0.00 179.01 173.59 3mdn n HIS 157 N -4.51 0.00 -3.34 4.33 1.44 -0.56 -4.87 115.22 107.70 3mdn n HIS 157 Ca 0.16 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.61 3mdn n HIS 157 Cb 0.53 -0.51 -0.09 0.00 0.12 0.00 0.00 29.99 30.04 3mdn n HIS 157 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3mdn n ASP 158 N -2.31 -0.20 -0.20 4.39 2.03 -0.05 -5.01 116.55 115.20 3mdn n ASP 158 Ca -0.15 -2.49 -0.06 0.00 0.52 0.00 0.00 54.79 52.61 3mdn n ASP 158 Cb 0.74 -0.58 0.04 0.00 -0.72 0.00 0.00 41.12 40.60 3mdn n ASP 158 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3mdn h PRO 159 N 5.14 0.76 0.74 -0.67 0.13 -1.75 -1.44 132.00 134.92 3mdn h PRO 159 Ca 0.21 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3mdn h PRO 159 Cb 0.90 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3mdn h PRO 159 CO 0.41 0.51 -0.43 1.25 -0.23 0.00 0.00 178.00 179.50 3mdn h HIS 160 N 0.79 -1.14 -0.34 1.56 2.76 -1.95 -2.36 115.15 114.48 3mdn h HIS 160 Ca 0.22 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 3mdn h HIS 160 Cb -0.08 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3mdn h HIS 160 CO -0.04 -0.66 -0.21 0.78 -1.30 0.00 0.00 177.93 176.50 3mdn h GLY 161 N -1.09 0.70 0.98 5.26 0.00 -1.96 -2.49 103.07 104.47 3mdn h GLY 161 Ca -0.10 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 3mdn h GLY 161 CO 0.11 0.52 -0.13 0.00 0.00 0.00 0.00 176.54 177.04 3mdn h ALA 162 N 1.20 0.53 -0.58 3.60 0.00 -1.29 -0.66 119.26 122.04 3mdn h ALA 162 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3mdn h ALA 162 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mdn h ALA 162 CO 0.05 0.42 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 3mdn h LEU 163 N 0.56 1.02 -0.26 0.00 5.85 -1.40 -0.07 115.31 121.00 3mdn h LEU 163 Ca 0.09 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3mdn h LEU 163 Cb 0.66 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3mdn h LEU 163 CO 0.04 1.09 -0.10 0.00 -0.34 0.00 0.00 178.44 179.14 3mdn h ALA 164 N 0.97 0.13 -0.55 1.25 0.00 -1.35 0.81 119.26 120.51 3mdn h ALA 164 Ca 0.16 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3mdn h ALA 164 Cb 0.57 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3mdn h ALA 164 CO 0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 179.25 178.68 3mdn h ARG 165 N -0.05 1.05 -0.46 0.00 3.08 -0.92 -1.87 114.38 115.20 3mdn h ARG 165 Ca 0.13 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3mdn h ARG 165 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3mdn h ARG 165 CO -0.30 1.08 0.17 0.00 -1.07 0.00 0.00 179.97 179.85 3mdn h ALA 166 N 0.93 0.60 -0.75 0.04 0.00 -0.68 -2.13 119.26 117.28 3mdn h ALA 166 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3mdn h ALA 166 Cb 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3mdn h ALA 166 CO 0.05 0.22 0.36 0.82 0.00 0.00 0.00 179.25 180.70 3mdn h ILE 167 N 0.60 1.23 -0.31 0.00 2.04 -0.70 -2.32 117.51 118.06 3mdn h ILE 167 Ca 0.15 -0.65 -0.14 0.00 1.00 0.00 0.00 64.86 65.23 3mdn h ILE 167 Cb 0.22 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3mdn h ILE 167 CO -0.01 0.28 -0.36 0.00 0.00 0.00 0.00 178.15 178.06 3mdn h ALA 168 N 1.34 0.78 -0.43 1.87 0.00 -1.19 0.24 119.26 121.88 3mdn h ALA 168 Ca 0.26 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3mdn h ALA 168 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3mdn h ALA 168 CO -0.03 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.91 3mdn h ARG 169 N 0.59 0.72 -0.16 0.00 3.08 -1.18 -0.64 114.38 116.80 3mdn h ARG 169 Ca 0.06 -0.21 -0.20 0.00 0.07 0.00 0.00 59.98 59.70 3mdn h ARG 169 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3mdn h ARG 169 CO 0.08 0.77 -0.71 -0.07 -1.07 0.00 0.00 179.97 178.97 3mdn h LEU 170 N 0.57 0.79 -0.60 3.04 3.38 -1.22 -1.13 115.31 120.14 3mdn h LEU 170 Ca 0.13 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mdn h LEU 170 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3mdn h LEU 170 CO 0.01 1.27 0.36 -0.08 0.09 0.00 0.00 178.44 180.09 3mdn h GLU 171 N 0.48 0.82 -0.27 1.13 4.81 -0.48 -0.99 114.58 120.08 3mdn h GLU 171 Ca -0.03 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3mdn h GLU 171 Cb 1.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3mdn h GLU 171 CO 0.14 0.60 -0.16 0.78 -0.73 0.00 0.00 179.01 179.64 3mdn h GLY 172 N 0.82 0.50 1.04 1.92 0.00 -0.89 -0.01 103.07 106.45 3mdn h GLY 172 Ca 0.22 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3mdn h GLY 172 CO -0.04 0.33 -0.09 1.41 0.00 0.00 0.00 176.54 178.14 3mdn h LEU 173 N 0.42 0.93 -0.34 3.11 3.38 -0.93 -2.43 115.31 119.45 3mdn h LEU 173 Ca 0.08 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3mdn h LEU 173 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3mdn h LEU 173 CO 0.03 1.06 0.18 -1.28 0.09 0.00 0.00 178.44 178.52 3mdn h SER 174 N 0.78 0.43 -0.67 -0.43 0.87 -0.74 0.04 113.55 113.82 3mdn h SER 174 Ca 0.13 -0.10 0.14 0.00 -1.23 0.00 0.00 61.79 60.73 3mdn h SER 174 Cb 0.64 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.39 3mdn h SER 174 CO 0.04 0.40 0.13 0.03 -0.53 0.00 0.00 176.83 176.91 3mdn h ARG 175 N 0.42 0.24 0.03 2.24 2.47 -0.93 0.88 114.38 119.74 3mdn h ARG 175 Ca 0.12 -0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 58.59 3mdn h ARG 175 Cb 0.07 -0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3mdn h ARG 175 CO -0.02 0.16 -0.95 0.00 0.56 0.00 0.00 179.97 179.72 3mdn h ALA 176 N 1.56 0.07 0.00 0.04 0.00 -1.16 -3.40 119.26 116.37 3mdn h ALA 176 Ca 0.37 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mdn h ALA 176 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3mdn h ALA 176 CO -0.48 0.57 0.00 0.72 0.00 0.00 0.00 179.25 180.07 3mdn n HIS 177 N -3.96 0.00 -0.89 0.00 8.25 -0.02 -5.08 115.22 113.51 3mdn n HIS 177 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3mdn n HIS 177 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 3mdn n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mdn n GLY 178 N 0.72 3.13 3.24 -1.41 0.00 0.30 -4.75 105.19 106.42 3mdn n GLY 178 Ca 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 3mdn n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mdn s THR 179 N 3.33 0.00 0.48 2.61 -4.23 -1.11 -4.86 115.64 111.85 3mdn s THR 179 Ca 0.00 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 3mdn s THR 179 Cb 0.00 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 3mdn s THR 179 CO 0.00 0.00 0.97 0.28 -0.54 0.00 0.00 174.62 175.33 3mdn s THR 180 N -3.89 4.44 0.26 3.99 -1.32 -1.26 -3.89 115.64 113.98 3mdn s THR 180 Ca 0.39 1.32 -0.30 0.00 -1.21 0.00 0.00 61.69 61.89 3mdn s THR 180 Cb 0.05 -3.66 -0.10 0.00 -1.51 0.00 0.00 72.50 67.28 3mdn s THR 180 CO 0.18 -0.53 1.48 -2.16 -2.21 0.00 0.00 174.62 171.38 3mdn s PRO 181 N -3.69 4.22 0.00 7.08 0.04 -1.26 -4.77 135.00 136.62 3mdn s PRO 181 Ca 0.60 2.38 0.10 0.00 0.04 0.00 0.00 61.00 64.12 3mdn s PRO 181 Cb -0.10 -3.08 0.58 0.00 0.04 0.00 0.00 34.50 31.94 3mdn s PRO 181 CO 0.24 -0.48 1.07 0.72 0.04 0.00 0.00 177.00 178.58 3mdn n HIS 182 N 2.24 0.00 -3.48 0.56 8.25 -1.25 -0.67 115.22 120.87 3mdn n HIS 182 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 3mdn n HIS 182 Cb 0.39 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 3mdn n HIS 182 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3mdn s ARG 184 N -2.00 0.05 -0.19 -0.41 1.81 -0.03 -3.05 118.95 115.12 3mdn s ARG 184 Ca 0.15 0.09 -0.09 0.00 -1.72 0.00 0.00 55.73 54.15 3mdn s ARG 184 Cb 0.07 0.03 0.07 0.00 -0.45 0.00 0.00 34.95 34.67 3mdn s ARG 184 CO 0.11 -0.01 0.45 -1.17 -0.68 0.00 0.00 175.30 174.00 3mdn s LEU 185 N 1.42 -0.35 -0.04 2.53 0.20 -0.20 -0.89 118.68 121.34 3mdn s LEU 185 Ca -0.05 1.00 0.04 0.00 0.69 0.00 0.00 54.13 55.81 3mdn s LEU 185 Cb -0.02 1.49 -0.00 0.00 -0.43 0.00 0.00 46.19 47.23 3mdn s LEU 185 CO -0.12 -0.21 -0.15 -0.94 -0.29 0.00 0.00 176.35 174.64 3mdn s SER 186 N 1.77 1.95 0.02 3.68 1.04 0.15 -0.98 113.70 121.34 3mdn s SER 186 Ca -0.08 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3mdn s SER 186 Cb -0.09 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.44 3mdn s SER 186 CO -0.14 0.13 -0.07 0.00 0.98 0.00 0.00 173.24 174.14 3mdn s ALA 187 N 0.12 0.58 -0.02 5.32 0.00 -0.07 0.52 121.76 128.21 3mdn s ALA 187 Ca -0.05 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.47 3mdn s ALA 187 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3mdn s ALA 187 CO 0.02 0.07 -0.23 0.00 0.00 0.00 0.00 175.76 175.62 3mdn s ALA 188 N -0.72 1.91 0.10 0.00 0.00 -1.26 -1.16 121.76 120.63 3mdn s ALA 188 Ca -0.03 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 3mdn s ALA 188 Cb -0.06 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.63 3mdn s ALA 188 CO 0.00 0.47 0.53 -0.59 0.00 0.00 0.00 175.76 176.17 3mdn s PHE 189 N -0.54 -0.44 0.13 0.00 -0.71 0.18 -4.33 117.98 112.27 3mdn s PHE 189 Ca 0.09 0.34 -0.20 0.00 -1.04 0.00 0.00 56.93 56.12 3mdn s PHE 189 Cb -0.09 0.41 0.05 0.00 -1.21 0.00 0.00 43.02 42.18 3mdn s PHE 189 CO -0.01 -0.73 0.50 0.45 -1.34 0.00 0.00 175.22 174.10 3mdn s SER 190 N -2.38 -0.41 -0.07 1.98 0.15 -0.43 -0.23 113.70 112.32 3mdn s SER 190 Ca -0.02 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 56.66 3mdn s SER 190 Cb -0.00 0.53 0.36 0.00 -1.71 0.00 0.00 66.02 65.20 3mdn s SER 190 CO -0.07 -0.88 1.29 -0.90 1.20 0.00 0.00 173.24 173.88 3mdn n ASP 191 N -0.18 3.18 0.00 5.45 5.75 -1.16 -1.07 116.55 128.53 3mdn n ASP 191 Ca -0.17 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 3mdn n ASP 191 Cb 0.64 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3mdn n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mdn n GLY 192 N 0.01 3.04 0.00 6.12 0.00 -1.25 -4.75 105.19 108.36 3mdn n GLY 192 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mdn n GLY 192 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mdn n GLN 193 N -2.00 1.39 -5.10 1.61 1.13 -1.26 -5.00 117.38 108.14 3mdn n GLN 193 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3mdn n GLN 193 Cb 0.00 -0.99 -0.16 0.00 0.11 0.00 0.00 30.24 29.20 3mdn n GLN 193 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3mdn s THR 194 N -1.97 1.78 -0.19 5.09 2.01 -1.26 -4.65 115.64 116.43 3mdn s THR 194 Ca 0.00 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 3mdn s THR 194 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 3mdn s THR 194 CO 0.00 0.50 0.07 -0.22 -0.69 0.00 0.00 174.62 174.28 3mdn s LEU 195 N -0.35 3.77 0.09 4.42 2.96 0.59 -2.97 118.68 127.18 3mdn s LEU 195 Ca 0.04 0.04 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 3mdn s LEU 195 Cb -0.10 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3mdn s LEU 195 CO 0.01 0.14 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.62 3mdn s TYR 196 N 0.57 2.38 0.01 5.38 1.51 0.68 0.43 117.35 128.31 3mdn s TYR 196 Ca 0.03 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 3mdn s TYR 196 Cb -0.13 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3mdn s TYR 196 CO 0.01 0.26 0.04 0.00 -1.11 0.00 0.00 175.55 174.75 3mdn s ALA 197 N -0.96 -0.07 0.03 3.71 0.00 -0.74 -0.65 121.76 123.09 3mdn s ALA 197 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 3mdn s ALA 197 Cb -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3mdn s ALA 197 CO 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 175.76 175.62 3mdn s ALA 198 N -1.25 0.26 -0.08 0.00 0.00 -0.31 0.53 121.76 120.91 3mdn s ALA 198 Ca -0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3mdn s ALA 198 Cb -0.08 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3mdn s ALA 198 CO 0.00 -0.24 0.12 0.50 0.00 0.00 0.00 175.76 176.14 3mdn s ARG 199 N -2.39 -0.00 0.00 0.00 3.52 -0.71 -0.89 118.95 118.48 3mdn s ARG 199 Ca -0.07 0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 55.84 3mdn s ARG 199 Cb -0.03 -0.53 0.01 0.00 -1.56 0.00 0.00 34.95 32.85 3mdn s ARG 199 CO -0.04 -0.36 0.25 -0.47 -0.81 0.00 0.00 175.30 173.87 3mdn s TYR 200 N 2.24 -0.08 -0.10 5.12 5.04 -0.15 0.06 117.35 129.47 3mdn s TYR 200 Ca 0.04 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.64 3mdn s TYR 200 Cb -0.12 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.25 3mdn s TYR 200 CO -0.05 -0.38 0.27 0.45 -1.34 0.00 0.00 175.55 174.50 3mdn s SER 201 N -1.51 -0.28 0.00 4.32 0.15 -1.26 -1.03 113.70 114.08 3mdn s SER 201 Ca -0.12 0.55 0.12 0.00 0.70 0.00 0.00 55.95 57.20 3mdn s SER 201 Cb -0.05 0.55 0.60 0.00 -1.71 0.00 0.00 66.02 65.41 3mdn s SER 201 CO 0.02 -0.10 1.30 -1.54 1.20 0.00 0.00 173.24 174.12 3mdn n SER 202 N 2.96 0.00 -0.59 5.45 3.41 -1.26 -4.85 113.62 118.74 3mdn n SER 202 Ca -0.13 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3mdn n SER 202 Cb 0.58 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3mdn n SER 202 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mdn n ASP 203 N -1.31 0.50 -0.05 4.04 3.85 -1.26 -4.97 116.55 117.36 3mdn n ASP 203 Ca 0.05 -0.47 0.15 0.00 -0.71 0.00 0.00 54.79 53.82 3mdn n ASP 203 Cb 0.10 0.00 0.76 0.00 -1.35 0.00 0.00 41.12 40.63 3mdn n ASP 203 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3mdn n HIS 204 N 0.00 0.00 -4.10 2.11 8.25 -1.26 -4.69 115.22 115.52 3mdn n HIS 204 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3mdn n HIS 204 Cb 0.00 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 30.81 3mdn n HIS 204 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mdn s ILE 205 N -2.37 3.82 -0.06 1.59 1.01 -1.26 -5.09 121.20 118.83 3mdn s ILE 205 Ca 0.34 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3mdn s ILE 205 Cb 0.21 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.98 3mdn s ILE 205 CO 0.44 0.44 -0.06 0.00 0.00 0.00 0.00 174.94 175.75 3mdn s ALA 206 N 1.00 0.90 0.30 9.38 0.00 -1.26 -4.77 121.76 127.32 3mdn s ALA 206 Ca 0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 3mdn s ALA 206 Cb -0.14 -0.58 -0.13 0.00 0.00 0.00 0.00 23.12 22.27 3mdn s ALA 206 CO 0.01 -0.12 1.23 -2.30 0.00 0.00 0.00 175.76 174.59 3mdn n PRO 207 N 4.31 1.86 -2.24 0.00 -0.02 -1.26 -4.86 135.00 132.78 3mdn n PRO 207 Ca -0.20 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3mdn n PRO 207 Cb 0.51 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3mdn n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mdn s SER 208 N -0.25 6.00 -0.02 2.55 1.04 -1.26 -4.60 113.70 117.16 3mdn s SER 208 Ca 0.59 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.89 3mdn s SER 208 Cb -0.63 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 62.97 3mdn s SER 208 CO 0.59 -1.02 0.04 -0.69 0.98 0.00 0.00 173.24 173.13 3mdn s VAL 209 N -2.25 -0.05 0.08 5.02 1.01 -1.26 -4.30 120.40 118.65 3mdn s VAL 209 Ca 0.65 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.84 3mdn s VAL 209 Cb -0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3mdn s VAL 209 CO 0.30 0.08 -0.08 -0.31 0.00 0.00 0.00 175.10 175.08 3mdn s TYR 210 N 0.93 0.90 0.12 5.22 1.51 0.98 -1.27 117.35 125.74 3mdn s TYR 210 Ca -0.08 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.18 3mdn s TYR 210 Cb -0.11 -0.51 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3mdn s TYR 210 CO -0.03 -0.07 0.34 1.52 -1.11 0.00 0.00 175.55 176.20 3mdn s TYR 211 N -2.41 -0.04 -0.06 2.71 -0.85 -0.03 0.10 117.35 116.78 3mdn s TYR 211 Ca 0.02 -0.32 -0.31 0.00 -0.52 0.00 0.00 57.07 55.94 3mdn s TYR 211 Cb -0.03 0.15 0.12 0.00 0.38 0.00 0.00 41.96 42.57 3mdn s TYR 211 CO -0.01 -0.68 1.14 -0.98 -1.52 0.00 0.00 175.55 173.51 3mdn s ARG 212 N -3.84 0.55 -0.22 -3.49 1.04 -0.74 -0.25 118.95 112.00 3mdn s ARG 212 Ca 0.05 -0.26 -0.20 0.00 -1.04 0.00 0.00 55.73 54.29 3mdn s ARG 212 Cb 0.03 0.22 -0.02 0.00 -2.04 0.00 0.00 34.95 33.13 3mdn s ARG 212 CO -0.10 -0.25 0.60 -0.47 -0.04 0.00 0.00 175.30 175.05 3mdn s TYR 213 N -2.66 3.34 -0.67 5.89 6.14 -1.26 -1.27 117.35 126.86 3mdn s TYR 213 Ca 0.11 0.85 -0.23 0.00 0.64 0.00 0.00 57.07 58.44 3mdn s TYR 213 Cb 0.01 -2.78 0.07 0.00 0.42 0.00 0.00 41.96 39.68 3mdn s TYR 213 CO -0.04 -0.21 0.99 0.45 0.64 0.00 0.00 175.55 177.38 3mdn s SER 214 N 1.28 6.18 0.37 4.32 0.15 0.12 -4.91 113.70 121.22 3mdn s SER 214 Ca 0.27 -0.99 0.05 0.00 0.70 0.00 0.00 55.95 55.98 3mdn s SER 214 Cb -0.16 -2.43 0.73 0.00 -1.71 0.00 0.00 66.02 62.45 3mdn s SER 214 CO 0.10 -1.46 2.00 0.45 1.20 0.00 0.00 173.24 175.53 3mdn h HIS 215 N 9.58 0.61 0.28 3.44 -0.00 -1.96 0.45 115.15 127.54 3mdn h HIS 215 Ca -0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 3mdn h HIS 215 Cb 1.07 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 3mdn h HIS 215 CO 0.98 0.43 -0.15 0.00 -0.00 0.00 0.00 177.93 179.20 3mdn h ALA 216 N 1.64 -0.40 0.00 2.45 0.00 -1.95 -3.02 119.26 117.98 3mdn h ALA 216 Ca 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3mdn h ALA 216 Cb 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mdn h ALA 216 CO -0.03 -0.73 -0.38 0.00 0.00 0.00 0.00 179.25 178.11 3mdn h ARG 217 N -0.40 0.00 -4.94 0.00 3.08 -1.88 -3.48 114.38 106.76 3mdn h ARG 217 Ca -0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3mdn h ARG 217 Cb 0.32 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.52 3mdn h ARG 217 CO 0.05 0.38 -0.67 1.04 -1.07 0.00 0.00 179.97 179.71 3mdn n GLN 218 N -3.33 -1.77 -3.62 0.04 1.13 0.15 -4.48 117.38 105.51 3mdn n GLN 218 Ca 0.01 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 3mdn n GLN 218 Cb 0.60 -4.93 -0.01 0.00 0.11 0.00 0.00 30.24 26.01 3mdn n GLN 218 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3mdn s GLY 219 N -3.30 -0.38 0.08 1.08 0.00 -1.15 -1.23 107.32 102.41 3mdn s GLY 219 Ca 0.36 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.77 3mdn s GLY 219 CO 0.59 0.21 0.55 -0.98 0.00 0.00 0.00 173.10 173.46 3mdn s TRP 220 N -2.45 3.77 -0.06 1.90 0.52 0.19 0.10 118.94 122.91 3mdn s TRP 220 Ca 0.13 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.49 3mdn s TRP 220 Cb 0.03 -2.45 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 3mdn s TRP 220 CO -0.04 0.57 -0.16 0.00 0.02 0.00 0.00 176.95 177.34 3mdn s ALA 221 N -1.16 2.57 -0.08 0.98 0.00 -0.40 -1.85 121.76 121.82 3mdn s ALA 221 Ca 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3mdn s ALA 221 Cb -0.18 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3mdn s ALA 221 CO 0.18 0.49 -0.11 0.08 0.00 0.00 0.00 175.76 176.41 3mdn s VAL 222 N -0.50 1.12 0.09 0.00 1.01 -0.42 -1.80 120.40 119.91 3mdn s VAL 222 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3mdn s VAL 222 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3mdn s VAL 222 CO 0.01 0.36 -0.07 0.68 0.00 0.00 0.00 175.10 176.09 3mdn s VAL 223 N 1.04 0.69 -1.26 2.92 -7.23 0.11 -0.39 120.40 116.28 3mdn s VAL 223 Ca -0.07 -1.87 0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3mdn s VAL 223 Cb -0.15 -1.60 0.47 0.00 0.56 0.00 0.00 36.38 35.66 3mdn s VAL 223 CO -0.01 -0.83 1.32 -1.54 -0.31 0.00 0.00 175.10 173.73 3mdn n SER 224 N 0.07 3.27 0.00 4.85 3.41 -0.58 -0.01 113.62 124.63 3mdn n SER 224 Ca -0.13 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3mdn n SER 224 Cb 0.60 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3mdn n SER 224 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mdn n GLU 225 N 0.64 0.00 0.00 4.33 4.71 -1.26 -4.41 120.64 124.65 3mdn n GLU 225 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 3mdn n GLU 225 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.06 3mdn n GLU 225 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3mdn n TRP 234 N 0.00 0.00 -3.77 -0.32 7.02 -1.26 -5.04 117.44 114.07 3mdn n TRP 234 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 3mdn n TRP 234 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 3mdn n TRP 234 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mdn s THR 235 N -1.81 5.43 0.05 -0.99 2.01 0.66 -4.90 115.64 116.08 3mdn s THR 235 Ca 0.00 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3mdn s THR 235 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3mdn s THR 235 CO 0.00 0.52 1.01 -0.70 -0.69 0.00 0.00 174.62 174.76 3mdn s GLU 236 N -0.30 4.58 -0.48 4.92 2.12 -1.26 -0.85 118.70 127.44 3mdn s GLU 236 Ca 0.12 1.49 -0.23 0.00 0.36 0.00 0.00 54.97 56.71 3mdn s GLU 236 Cb -0.12 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.89 3mdn s GLU 236 CO 0.02 0.01 0.83 -1.17 -0.54 0.00 0.00 175.26 174.41 3mdn s LEU 237 N 0.66 4.22 0.74 2.70 2.96 -0.40 -4.96 118.68 124.60 3mdn s LEU 237 Ca 0.51 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 3mdn s LEU 237 Cb -0.23 -2.94 0.04 0.00 0.50 0.00 0.00 46.19 43.56 3mdn s LEU 237 CO 0.29 -1.01 1.13 0.00 -1.32 0.00 0.00 176.35 175.44 3mdn s ARG 238 N 3.48 2.26 0.71 1.98 1.70 -1.26 -4.42 118.95 123.39 3mdn s ARG 238 Ca 0.30 1.42 -0.16 0.00 -0.47 0.00 0.00 55.73 56.82 3mdn s ARG 238 Cb -0.12 -1.88 -0.02 0.00 -0.57 0.00 0.00 34.95 32.36 3mdn s ARG 238 CO 0.22 -1.68 0.78 -2.30 -1.08 0.00 0.00 175.30 171.24 3mdn n PRO 239 N -3.06 0.45 -2.10 3.89 -0.02 -1.26 -3.36 135.00 129.54 3mdn n PRO 239 Ca 0.11 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.71 3mdn n PRO 239 Cb 0.52 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3mdn n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdn n GLY 240 N 1.35 0.10 0.00 -1.23 0.00 0.11 -4.98 105.19 100.54 3mdn n GLY 240 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3mdn n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mdn n ARG 241 N -1.79 0.20 -3.61 1.61 5.12 -1.04 -1.08 116.66 116.08 3mdn n ARG 241 Ca -0.09 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.72 3mdn n ARG 241 Cb 0.55 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.79 3mdn n ARG 241 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3mdn s LEU 243 N 0.00 -0.49 -0.16 0.55 2.96 0.19 -1.73 118.68 119.99 3mdn s LEU 243 Ca 0.00 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 3mdn s LEU 243 Cb 0.00 2.03 0.05 0.00 0.50 0.00 0.00 46.19 48.76 3mdn s LEU 243 CO 0.00 -0.26 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.87 3mdn s THR 244 N -0.25 0.77 -0.20 3.68 2.01 0.26 -1.79 115.64 120.13 3mdn s THR 244 Ca -0.00 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 3mdn s THR 244 Cb -0.03 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.41 3mdn s THR 244 CO -0.01 0.02 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.18 3mdn s ILE 245 N 1.77 2.74 0.00 1.82 1.01 0.17 -1.73 121.20 126.98 3mdn s ILE 245 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3mdn s ILE 245 Cb -0.16 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3mdn s ILE 245 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3mdn n GLY 246 N 4.63 3.85 0.23 6.18 0.00 -0.65 -0.30 105.19 119.13 3mdn n GLY 246 Ca -0.19 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.76 3mdn n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdn h ALA 247 N 1.47 1.19 0.00 4.61 0.00 -1.99 -0.83 119.26 123.72 3mdn h ALA 247 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mdn h ALA 247 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mdn h ALA 247 CO 0.00 -0.19 -1.19 -0.85 0.00 0.00 0.00 179.25 177.01 3mdn n GLU 248 N -2.43 0.24 0.00 0.00 -0.00 -1.26 -5.08 120.64 112.11 3mdn n GLU 248 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 3mdn n GLU 248 Cb 0.27 -1.54 0.00 0.00 -0.00 0.00 0.00 31.44 30.17 3mdn n GLU 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mdn n GLY 249 N 1.40 0.62 3.79 -1.84 0.00 -0.32 -5.03 105.19 103.82 3mdn n GLY 249 Ca 0.02 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 3mdn n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdn s ALA 250 N -1.75 3.68 -0.05 4.61 0.00 -1.26 -1.64 121.76 125.35 3mdn s ALA 250 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 3mdn s ALA 250 Cb 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3mdn s ALA 250 CO 0.00 0.49 0.17 0.00 0.00 0.00 0.00 175.76 176.42 3mdn s ALA 251 N -0.63 -0.41 0.14 0.00 0.00 -0.70 -4.98 121.76 115.19 3mdn s ALA 251 Ca 0.12 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.50 3mdn s ALA 251 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3mdn s ALA 251 CO 0.02 -0.11 0.04 -1.21 0.00 0.00 0.00 175.76 174.51 3mdn s GLU 252 N -0.22 2.62 -0.05 0.00 2.02 -1.26 -0.58 118.70 121.22 3mdn s GLU 252 Ca -0.03 -0.94 -0.27 0.00 0.02 0.00 0.00 54.97 53.75 3mdn s GLU 252 Cb -0.03 -2.51 0.06 0.00 0.10 0.00 0.00 34.13 31.75 3mdn s GLU 252 CO 0.01 0.49 0.60 0.50 0.02 0.00 0.00 175.26 176.88 3mdn s ARG 253 N -2.78 0.95 0.59 1.61 3.52 -1.26 -5.01 118.95 116.57 3mdn s ARG 253 Ca 0.28 0.20 -0.20 0.00 -0.13 0.00 0.00 55.73 55.89 3mdn s ARG 253 Cb -0.10 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 3mdn s ARG 253 CO 0.20 -0.28 1.27 -0.51 -0.81 0.00 0.00 175.30 175.17 3mdn s ASP 254 N -1.12 5.10 -0.24 -2.12 1.01 -1.26 -4.46 116.67 113.58 3mdn s ASP 254 Ca -0.11 2.55 -0.03 0.00 0.71 0.00 0.00 52.55 55.68 3mdn s ASP 254 Cb -0.01 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.42 3mdn s ASP 254 CO 0.08 -1.66 0.31 0.12 0.21 0.00 0.00 175.17 174.23 3mdn s PHE 255 N -1.45 -0.58 -0.46 4.23 5.36 -0.24 -4.90 117.98 119.93 3mdn s PHE 255 Ca 0.77 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 57.21 3mdn s PHE 255 Cb -0.35 -0.21 0.19 0.00 -0.34 0.00 0.00 43.02 42.32 3mdn s PHE 255 CO 0.39 -0.72 0.43 0.00 -1.46 0.00 0.00 175.22 173.85 3mdn n ALA 256 N 5.34 2.91 0.00 11.12 0.00 -1.26 -4.27 120.51 134.35 3mdn n ALA 256 Ca -0.04 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.93 3mdn n ALA 256 Cb 0.49 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3mdn n ALA 256 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20