#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdc h TYR 2 N 0.00 0.00 -2.73 7.33 -0.00 -1.97 -3.45 116.97 116.15 1mdc h TYR 2 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.73 58.17 1mdc h TYR 2 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 36.73 36.80 1mdc h TYR 2 CO 0.00 0.23 0.78 1.28 -0.00 0.00 0.00 178.16 180.45 1mdc n LEU 3 N -3.25 3.55 0.00 0.10 4.77 -1.26 -2.17 117.00 118.74 1mdc n LEU 3 Ca 0.02 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1mdc n LEU 3 Cb 0.53 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1mdc n LEU 3 CO 0.35 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1mdc n GLY 4 N 2.70 1.68 3.87 -0.72 0.00 0.28 -5.01 105.19 107.99 1mdc n GLY 4 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1mdc n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mdc s LYS 5 N -0.03 3.80 -0.24 1.61 1.02 -0.92 -4.96 119.74 120.02 1mdc s LYS 5 Ca 0.00 0.25 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1mdc s LYS 5 Cb 0.00 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1mdc s LYS 5 CO 0.00 0.38 0.21 0.08 -0.92 0.00 0.00 175.35 175.10 1mdc s VAL 6 N -1.72 5.32 -0.15 3.17 1.01 -1.26 -4.33 120.40 122.44 1mdc s VAL 6 Ca 0.44 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1mdc s VAL 6 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1mdc s VAL 6 CO 0.21 0.30 0.03 -0.31 0.00 0.00 0.00 175.10 175.34 1mdc s TYR 7 N 1.26 3.21 -0.03 5.22 1.51 -0.37 -4.24 117.35 123.91 1mdc s TYR 7 Ca 0.10 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1mdc s TYR 7 Cb -0.14 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1mdc s TYR 7 CO 0.06 0.22 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.44 1mdc s SER 8 N 0.01 3.81 0.17 2.29 0.01 -0.43 -0.54 113.70 119.02 1mdc s SER 8 Ca 0.04 -0.27 -0.32 0.00 1.31 0.00 0.00 55.95 56.72 1mdc s SER 8 Cb -0.12 -0.72 -0.10 0.00 0.21 0.00 0.00 66.02 65.28 1mdc s SER 8 CO 0.01 0.33 1.63 -0.22 0.41 0.00 0.00 173.24 175.40 1mdc s LEU 9 N -0.78 4.37 -0.07 2.44 2.96 -0.72 -1.02 118.68 125.87 1mdc s LEU 9 Ca 0.12 2.68 0.08 0.00 -0.22 0.00 0.00 54.13 56.79 1mdc s LEU 9 Cb -0.10 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1mdc s LEU 9 CO 0.01 -0.88 0.07 1.33 -1.32 0.00 0.00 176.35 175.56 1mdc n VAL 10 N 4.06 0.47 -3.54 1.68 0.24 0.12 -4.91 118.33 116.46 1mdc n VAL 10 Ca 0.15 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 1mdc n VAL 10 Cb 0.38 -0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 32.17 1mdc n VAL 10 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1mdc s LYS 11 N -2.30 0.70 0.04 7.34 2.20 -1.07 -5.02 119.74 121.63 1mdc s LYS 11 Ca -0.04 -0.26 -0.18 0.00 -0.36 0.00 0.00 55.97 55.12 1mdc s LYS 11 Cb 0.03 0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1mdc s LYS 11 CO 0.36 -0.31 0.42 1.14 -0.36 0.00 0.00 175.35 176.60 1mdc s GLN 12 N -2.94 0.92 -0.01 4.03 -2.07 -1.26 -0.80 119.66 117.54 1mdc s GLN 12 Ca 0.06 -0.34 0.02 0.00 -1.82 0.00 0.00 55.36 53.29 1mdc s GLN 12 Cb -0.01 0.41 -0.00 0.00 -1.09 0.00 0.00 33.01 32.32 1mdc s GLN 12 CO -0.07 -0.31 -0.06 -1.21 -1.32 0.00 0.00 175.29 172.31 1mdc s GLU 13 N -2.40 0.55 -1.98 9.60 2.02 0.30 -4.84 118.70 121.95 1mdc s GLU 13 Ca -0.06 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1mdc s GLU 13 Cb -0.01 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.69 1mdc s GLU 13 CO -0.02 0.13 0.00 0.09 0.02 0.00 0.00 175.26 175.48 1mdc n ASN 14 N 2.98 -5.23 -0.06 -0.19 3.02 -1.26 -1.08 115.26 113.44 1mdc n ASN 14 Ca -0.14 0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 54.78 1mdc n ASN 14 Cb 0.57 -4.55 0.06 0.00 -0.61 0.00 0.00 39.78 35.25 1mdc n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1mdc h PHE 15 N 0.00 0.85 -0.71 3.10 3.57 -1.88 -2.29 116.94 119.58 1mdc h PHE 15 Ca -0.38 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 60.85 1mdc h PHE 15 Cb 1.27 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1mdc h PHE 15 CO 0.56 0.98 0.34 0.22 -2.23 0.00 0.00 178.31 178.19 1mdc h ASP 16 N 0.60 0.92 -0.60 0.41 3.58 -1.97 -1.38 116.42 117.97 1mdc h ASP 16 Ca 0.05 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1mdc h ASP 16 Cb 0.91 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 1mdc h ASP 16 CO 0.08 0.78 0.27 1.23 -2.88 0.00 0.00 179.24 178.72 1mdc h GLY 17 N 1.07 0.95 1.01 -0.78 0.00 -1.91 -1.13 103.07 102.27 1mdc h GLY 17 Ca 0.25 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1mdc h GLY 17 CO -0.03 0.46 0.05 -2.75 0.00 0.00 0.00 176.54 174.27 1mdc h PHE 18 N 0.83 0.96 -0.13 5.60 3.57 -0.95 -2.57 116.94 124.25 1mdc h PHE 18 Ca 0.20 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1mdc h PHE 18 Cb 0.16 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1mdc h PHE 18 CO 0.00 0.87 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.70 1mdc h LEU 19 N 0.77 0.21 -0.56 0.59 3.38 -0.81 -2.49 115.31 116.39 1mdc h LEU 19 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1mdc h LEU 19 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1mdc h LEU 19 CO 0.02 0.42 0.07 0.11 0.09 0.00 0.00 178.44 179.15 1mdc h LYS 20 N 0.20 0.94 0.00 1.13 1.57 -1.02 -1.51 116.57 117.89 1mdc h LYS 20 Ca 0.04 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1mdc h LYS 20 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1mdc h LYS 20 CO 0.03 0.91 0.00 -1.13 -0.57 0.00 0.00 179.45 178.69 1mdc n SER 21 N -4.32 0.39 -0.41 0.86 3.41 -0.96 -1.09 113.62 111.51 1mdc n SER 21 Ca 0.02 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1mdc n SER 21 Cb 0.28 -0.70 0.30 0.00 -0.26 0.00 0.00 64.21 63.83 1mdc n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mdc n ALA 22 N -1.68 3.03 -2.05 7.33 0.00 -0.57 -4.71 120.51 121.85 1mdc n ALA 22 Ca 0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1mdc n ALA 22 Cb 0.12 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1mdc n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdc n GLY 23 N 1.32 0.18 3.85 0.00 0.00 -0.25 -4.79 105.19 105.51 1mdc n GLY 23 Ca 0.13 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1mdc n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mdc s LEU 24 N -3.56 3.42 0.66 0.99 1.43 -1.22 -5.02 118.68 115.37 1mdc s LEU 24 Ca 0.00 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 54.49 1mdc s LEU 24 Cb 0.00 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.72 1mdc s LEU 24 CO 0.00 -0.84 1.13 -0.94 0.23 0.00 0.00 176.35 175.93 1mdc s SER 25 N -3.51 5.05 0.34 2.29 1.04 -1.26 -4.80 113.70 112.83 1mdc s SER 25 Ca 0.58 2.07 0.06 0.00 0.48 0.00 0.00 55.95 59.14 1mdc s SER 25 Cb -0.11 -2.56 0.72 0.00 0.10 0.00 0.00 66.02 64.16 1mdc s SER 25 CO 0.43 -1.67 1.88 0.44 0.98 0.00 0.00 173.24 175.29 1mdc h ASP 26 N 0.13 0.74 0.08 7.02 3.32 -1.99 -0.92 116.42 124.79 1mdc h ASP 26 Ca -0.47 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 1mdc h ASP 26 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1mdc h ASP 26 CO 0.54 0.41 -0.37 0.44 -1.72 0.00 0.00 179.24 178.54 1mdc h ASP 27 N 0.80 0.42 -0.04 6.45 3.32 -1.99 -0.88 116.42 124.50 1mdc h ASP 27 Ca 0.43 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 1mdc h ASP 27 Cb 0.54 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1mdc h ASP 27 CO -0.19 0.76 -0.56 0.11 -1.72 0.00 0.00 179.24 177.63 1mdc h LYS 28 N 0.34 0.63 -0.36 3.56 1.57 -1.68 -1.79 116.57 118.83 1mdc h LYS 28 Ca 0.04 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1mdc h LYS 28 Cb 0.81 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1mdc h LYS 28 CO 0.07 1.02 0.14 0.82 -0.57 0.00 0.00 179.45 180.92 1mdc h ILE 29 N 0.48 1.19 -0.66 1.86 2.04 -0.97 -0.23 117.51 121.22 1mdc h ILE 29 Ca 0.01 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1mdc h ILE 29 Cb 1.12 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1mdc h ILE 29 CO 0.11 0.21 0.33 -0.61 0.00 0.00 0.00 178.15 178.19 1mdc h GLN 30 N 0.44 0.94 -0.33 2.37 4.15 -1.05 -1.34 115.11 120.29 1mdc h GLN 30 Ca 0.12 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1mdc h GLN 30 Cb 0.20 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1mdc h GLN 30 CO -0.01 0.73 0.05 0.00 -1.93 0.00 0.00 178.83 177.68 1mdc h ALA 31 N 1.15 0.44 -0.78 3.38 0.00 -1.13 -2.11 119.26 120.21 1mdc h ALA 31 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1mdc h ALA 31 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mdc h ALA 31 CO -0.03 0.13 0.30 -0.07 0.00 0.00 0.00 179.25 179.58 1mdc h LEU 32 N 0.37 1.08 -1.18 0.00 3.38 -0.81 -2.24 115.31 115.92 1mdc h LEU 32 Ca 0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mdc h LEU 32 Cb 0.35 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mdc h LEU 32 CO 0.01 0.97 -0.13 -0.37 0.09 0.00 0.00 178.44 179.00 1mdc h VAL 33 N 1.13 0.33 0.00 1.22 -1.51 -1.18 -2.78 116.25 113.47 1mdc h VAL 33 Ca 0.26 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1mdc h VAL 33 Cb 0.23 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1mdc h VAL 33 CO -0.02 0.13 -0.67 -1.20 -1.23 0.00 0.00 177.57 174.58 1mdc n SER 34 N -3.27 0.60 -4.67 4.19 7.64 -0.80 -4.95 113.62 112.35 1mdc n SER 34 Ca 0.00 -0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.33 1mdc n SER 34 Cb 0.39 0.40 0.12 0.00 -1.01 0.00 0.00 64.21 64.10 1mdc n SER 34 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mdc n ASP 35 N -1.72 0.87 -3.26 6.43 2.03 -0.89 -4.97 116.55 115.04 1mdc n ASP 35 Ca 0.04 0.60 -0.25 0.00 0.52 0.00 0.00 54.79 55.71 1mdc n ASP 35 Cb 0.38 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.23 1mdc n ASP 35 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mdc n LYS 36 N -2.92 1.61 -1.38 -0.67 4.76 -1.26 -5.05 118.16 113.25 1mdc n LYS 36 Ca 0.13 -3.91 -0.31 0.00 -2.87 0.00 0.00 58.31 51.36 1mdc n LYS 36 Cb 0.50 -1.73 0.08 0.00 -1.84 0.00 0.00 35.03 32.05 1mdc n LYS 36 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1mdc s PRO 37 N -1.96 2.40 0.09 1.97 0.04 -1.26 -4.77 135.00 131.50 1mdc s PRO 37 Ca 0.38 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1mdc s PRO 37 Cb 0.19 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1mdc s PRO 37 CO -0.07 -1.50 -0.11 0.95 0.04 0.00 0.00 177.00 176.30 1mdc s THR 38 N -2.97 1.01 -0.11 1.26 -4.23 -1.20 -1.75 115.64 107.65 1mdc s THR 38 Ca 0.60 -1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 1mdc s THR 38 Cb -0.16 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1mdc s THR 38 CO 0.56 -0.44 0.31 0.00 -0.54 0.00 0.00 174.62 174.50 1mdc s GLN 39 N -2.42 0.37 -0.04 3.99 -2.07 0.30 -2.31 119.66 117.48 1mdc s GLN 39 Ca 0.03 0.42 0.01 0.00 -1.82 0.00 0.00 55.36 53.99 1mdc s GLN 39 Cb -0.05 0.18 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1mdc s GLN 39 CO 0.01 -0.05 -0.03 0.21 -1.32 0.00 0.00 175.29 174.11 1mdc s LYS 40 N 0.13 0.64 -0.04 9.60 2.20 -0.05 -1.24 119.74 130.98 1mdc s LYS 40 Ca -0.00 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 1mdc s LYS 40 Cb -0.02 -0.69 -0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1mdc s LYS 40 CO 0.01 -0.07 -0.12 1.41 -0.36 0.00 0.00 175.35 176.21 1mdc s MET 41 N 0.82 2.51 0.05 4.03 -2.45 -1.26 -0.37 119.30 122.64 1mdc s MET 41 Ca -0.10 -0.70 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 1mdc s MET 41 Cb -0.13 -2.41 -0.03 0.00 1.25 0.00 0.00 34.83 33.51 1mdc s MET 41 CO -0.00 0.62 -0.11 -1.21 1.05 0.00 0.00 175.02 175.37 1mdc s GLU 42 N -0.89 0.69 -0.11 4.11 2.02 -0.10 -0.56 118.70 123.86 1mdc s GLU 42 Ca 0.13 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 1mdc s GLU 42 Cb -0.11 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1mdc s GLU 42 CO 0.02 0.13 0.06 0.00 0.02 0.00 0.00 175.26 175.49 1mdc s ALA 43 N -1.24 3.53 -0.24 5.21 0.00 -1.26 -0.89 121.76 126.86 1mdc s ALA 43 Ca -0.05 -0.73 0.17 0.00 0.00 0.00 0.00 51.96 51.34 1mdc s ALA 43 Cb -0.10 -1.73 0.48 0.00 0.00 0.00 0.00 23.12 21.78 1mdc s ALA 43 CO 0.01 0.54 1.15 0.09 0.00 0.00 0.00 175.76 177.56 1mdc n ASN 44 N 2.28 2.75 0.00 0.00 5.03 0.91 -4.96 115.26 121.27 1mdc n ASN 44 Ca -0.19 -2.77 0.00 0.00 0.87 0.00 0.00 54.58 52.49 1mdc n ASN 44 Cb 0.54 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1mdc n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mdc n GLY 45 N -0.58 2.07 0.13 7.41 0.00 -1.26 -3.61 105.19 109.35 1mdc n GLY 45 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1mdc n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mdc h ASP 46 N 0.00 0.00 -4.07 1.61 5.19 -1.98 -3.47 116.42 113.70 1mdc h ASP 46 Ca 0.00 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.98 1mdc h ASP 46 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1mdc h ASP 46 CO 0.00 0.63 -0.58 -0.94 -3.12 0.00 0.00 179.24 175.23 1mdc s SER 47 N -6.73 1.80 0.27 6.45 1.04 -1.24 -4.76 113.70 110.53 1mdc s SER 47 Ca -0.00 -1.48 0.10 0.00 0.48 0.00 0.00 55.95 55.05 1mdc s SER 47 Cb 0.12 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1mdc s SER 47 CO 0.76 -0.78 -0.17 -0.31 0.98 0.00 0.00 173.24 173.72 1mdc s TYR 48 N -3.53 2.15 -0.02 5.02 2.02 0.67 -0.06 117.35 123.61 1mdc s TYR 48 Ca 0.35 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1mdc s TYR 48 Cb 0.06 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1mdc s TYR 48 CO 0.15 0.60 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.49 1mdc s SER 49 N -3.47 1.47 -0.13 2.29 0.01 -0.07 -0.73 113.70 113.07 1mdc s SER 49 Ca 0.29 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1mdc s SER 49 Cb -0.03 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1mdc s SER 49 CO 0.13 0.14 -0.15 0.21 0.41 0.00 0.00 173.24 173.98 1mdc s ASN 50 N -0.18 2.57 -0.20 2.44 3.04 -0.03 -0.92 114.94 121.66 1mdc s ASN 50 Ca 0.03 -0.46 -0.04 0.00 0.04 0.00 0.00 52.86 52.43 1mdc s ASN 50 Cb -0.06 -1.15 -0.02 0.00 -1.54 0.00 0.00 41.25 38.49 1mdc s ASN 50 CO -0.00 -0.01 -0.03 -0.89 -3.04 0.00 0.00 177.10 173.13 1mdc s THR 51 N 1.16 3.66 0.07 -5.21 2.01 0.50 -1.48 115.64 116.35 1mdc s THR 51 Ca -0.02 -0.41 0.07 0.00 0.31 0.00 0.00 61.69 61.64 1mdc s THR 51 Cb -0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1mdc s THR 51 CO -0.05 0.44 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.69 1mdc s SER 52 N 1.09 2.29 0.28 3.53 0.01 0.13 -0.88 113.70 120.16 1mdc s SER 52 Ca 0.02 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.74 1mdc s SER 52 Cb -0.15 -0.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1mdc s SER 52 CO 0.00 0.07 -0.04 0.42 0.41 0.00 0.00 173.24 174.11 1mdc s THR 53 N -1.01 1.53 0.00 1.44 -4.23 -0.98 -1.15 115.64 111.25 1mdc s THR 53 Ca 0.05 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1mdc s THR 53 Cb -0.09 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1mdc s THR 53 CO 0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1mdc n GLY 54 N -0.58 0.30 3.74 3.99 0.00 -1.25 -3.22 105.19 108.16 1mdc n GLY 54 Ca -0.05 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1mdc n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mdc s GLY 55 N 0.00 1.83 0.00 -0.02 0.00 -1.26 0.02 107.32 107.88 1mdc s GLY 55 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1mdc s GLY 55 CO 0.00 2.67 0.00 0.61 0.00 0.00 0.00 173.10 176.38 1mdc n GLY 56 N 2.71 0.74 2.68 0.20 0.00 -1.26 -4.81 105.19 105.45 1mdc n GLY 56 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1mdc n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mdc n GLY 57 N -2.33 -1.98 3.72 -0.02 0.00 0.10 -4.89 105.19 99.79 1mdc n GLY 57 Ca 0.00 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 1mdc n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdc s ALA 58 N -1.42 3.40 0.00 4.61 0.00 -1.26 -3.85 121.76 123.23 1mdc s ALA 58 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 1mdc s ALA 58 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.33 1mdc s ALA 58 CO 0.00 -0.04 0.46 -1.59 0.00 0.00 0.00 175.76 174.59 1mdc s LYS 59 N 0.61 0.89 -0.21 0.00 -2.85 -0.30 -5.01 119.74 112.87 1mdc s LYS 59 Ca 0.33 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1mdc s LYS 59 Cb -0.17 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1mdc s LYS 59 CO 0.16 -0.28 -0.06 0.99 0.10 0.00 0.00 175.35 176.25 1mdc s THR 60 N -1.78 1.44 0.01 3.79 2.01 -1.26 -0.69 115.64 119.15 1mdc s THR 60 Ca -0.09 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 60.92 1mdc s THR 60 Cb -0.02 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1mdc s THR 60 CO 0.03 -0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.08 1mdc s VAL 61 N 1.46 2.82 0.12 3.82 1.01 -0.55 -4.93 120.40 124.15 1mdc s VAL 61 Ca -0.04 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1mdc s VAL 61 Cb -0.18 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1mdc s VAL 61 CO -0.07 0.44 -0.01 -0.44 0.00 0.00 0.00 175.10 175.02 1mdc s SER 62 N -1.14 4.87 0.24 3.32 0.01 -1.26 -0.85 113.70 118.90 1mdc s SER 62 Ca 0.13 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 56.90 1mdc s SER 62 Cb -0.10 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.07 1mdc s SER 62 CO 0.03 0.14 0.67 0.72 0.41 0.00 0.00 173.24 175.21 1mdc s PHE 63 N -1.45 -0.27 -0.05 2.43 -0.12 0.09 -4.97 117.98 113.63 1mdc s PHE 63 Ca 0.26 -0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 1mdc s PHE 63 Cb -0.11 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1mdc s PHE 63 CO 0.18 -1.10 -0.16 0.15 -0.05 0.00 0.00 175.22 174.24 1mdc s LYS 64 N -3.87 2.53 0.19 1.99 1.02 -1.26 -0.23 119.74 120.10 1mdc s LYS 64 Ca 0.08 -0.73 -0.32 0.00 0.02 0.00 0.00 55.97 55.03 1mdc s LYS 64 Cb -0.04 -2.35 -0.11 0.00 -0.52 0.00 0.00 37.83 34.81 1mdc s LYS 64 CO 0.01 0.57 1.64 0.45 -0.92 0.00 0.00 175.35 177.10 1mdc s SER 65 N -0.61 6.49 0.00 2.83 0.15 -1.26 -2.69 113.70 118.61 1mdc s SER 65 Ca 0.09 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1mdc s SER 65 Cb -0.11 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1mdc s SER 65 CO 0.01 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1mdc n GLY 66 N 3.76 0.83 3.33 9.45 0.00 -0.02 -4.97 105.19 117.57 1mdc n GLY 66 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1mdc n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mdc s VAL 67 N -3.12 3.18 0.39 1.61 1.01 -1.10 -5.01 120.40 117.37 1mdc s VAL 67 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 1mdc s VAL 67 Cb 0.00 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1mdc s VAL 67 CO 0.00 0.47 0.97 -1.61 0.00 0.00 0.00 175.10 174.93 1mdc s GLU 68 N 0.99 4.31 0.04 2.72 2.02 -1.26 -4.50 118.70 123.01 1mdc s GLU 68 Ca -0.01 1.26 -0.16 0.00 0.02 0.00 0.00 54.97 56.09 1mdc s GLU 68 Cb -0.15 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.68 1mdc s GLU 68 CO -0.01 0.03 0.35 -0.59 0.02 0.00 0.00 175.26 175.06 1mdc s PHE 69 N -1.91 -0.18 0.21 1.61 -0.71 -0.46 -4.97 117.98 111.57 1mdc s PHE 69 Ca 0.58 0.11 -0.30 0.00 -1.04 0.00 0.00 56.93 56.28 1mdc s PHE 69 Cb -0.14 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.72 1mdc s PHE 69 CO 0.19 -0.52 1.26 -0.51 -1.34 0.00 0.00 175.22 174.31 1mdc s ASP 70 N -1.94 6.97 0.25 1.98 1.01 -1.26 -0.64 116.67 123.03 1mdc s ASP 70 Ca -0.06 2.36 -0.10 0.00 0.71 0.00 0.00 52.55 55.46 1mdc s ASP 70 Cb -0.01 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1mdc s ASP 70 CO -0.02 -0.46 0.41 -0.62 0.21 0.00 0.00 175.17 174.70 1mdc s ASP 71 N 0.16 0.05 -0.08 0.27 2.15 0.14 -4.87 116.67 114.50 1mdc s ASP 71 Ca 0.54 -1.07 -0.01 0.00 0.43 0.00 0.00 52.55 52.44 1mdc s ASP 71 Cb -0.35 0.56 0.03 0.00 -0.30 0.00 0.00 42.92 42.85 1mdc s ASP 71 CO 0.39 -1.10 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.58 1mdc s VAL 72 N -3.93 0.53 0.34 1.11 1.01 -1.26 -0.93 120.40 117.27 1mdc s VAL 72 Ca 0.26 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1mdc s VAL 72 Cb 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1mdc s VAL 72 CO 0.11 0.28 0.10 0.27 0.00 0.00 0.00 175.10 175.86 1mdc s ILE 73 N 1.86 0.82 0.00 2.22 -4.36 -0.54 -4.90 121.20 116.30 1mdc s ILE 73 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1mdc s ILE 73 Cb -0.12 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1mdc s ILE 73 CO -0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1mdc n GLY 74 N -0.73 2.94 2.75 6.27 0.00 -1.26 -1.01 105.19 114.15 1mdc n GLY 74 Ca -0.03 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1mdc n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdc n ALA 75 N 11.13 5.79 -0.62 4.61 0.00 -1.26 -4.41 120.51 135.75 1mdc n ALA 75 Ca 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.93 1mdc n ALA 75 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1mdc n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdc n GLY 76 N -0.23 0.71 3.70 0.00 0.00 -1.09 -5.04 105.19 103.25 1mdc n GLY 76 Ca 0.44 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1mdc n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mdc s ASP 77 N -2.55 7.25 -0.14 1.61 1.01 -0.18 -4.85 116.67 118.82 1mdc s ASP 77 Ca 0.00 1.51 -0.27 0.00 0.71 0.00 0.00 52.55 54.50 1mdc s ASP 77 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1mdc s ASP 77 CO 0.00 -0.27 0.89 -0.44 0.21 0.00 0.00 175.17 175.56 1mdc s SER 78 N 0.99 7.07 0.33 0.27 0.01 -1.26 -1.47 113.70 119.64 1mdc s SER 78 Ca 0.48 1.32 -0.00 0.00 1.31 0.00 0.00 55.95 59.05 1mdc s SER 78 Cb -0.20 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1mdc s SER 78 CO 0.23 -0.40 0.40 0.68 0.41 0.00 0.00 173.24 174.57 1mdc s VAL 79 N 2.00 0.00 -0.23 3.43 -7.23 -0.10 -4.60 120.40 113.67 1mdc s VAL 79 Ca 0.42 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1mdc s VAL 79 Cb -0.17 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1mdc s VAL 79 CO 0.15 0.00 -0.00 -0.75 -0.31 0.00 0.00 175.10 174.19 1mdc s LYS 80 N -3.27 3.50 0.19 4.82 2.47 -0.61 -0.68 119.74 126.16 1mdc s LYS 80 Ca 0.33 -0.56 0.08 0.00 -1.56 0.00 0.00 55.97 54.26 1mdc s LYS 80 Cb 0.01 -3.12 -0.04 0.00 -1.46 0.00 0.00 37.83 33.22 1mdc s LYS 80 CO 0.21 -0.16 0.01 -1.12 0.16 0.00 0.00 175.35 174.45 1mdc s SER 81 N 1.43 4.78 -0.16 1.43 0.01 0.19 -1.16 113.70 120.22 1mdc s SER 81 Ca 0.05 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 1mdc s SER 81 Cb -0.15 -1.01 0.08 0.00 0.21 0.00 0.00 66.02 65.15 1mdc s SER 81 CO -0.00 0.07 0.30 -0.32 0.41 0.00 0.00 173.24 173.70 1mdc s MET 82 N -3.11 0.20 0.01 12.44 1.75 -0.52 -1.36 119.30 128.72 1mdc s MET 82 Ca 0.28 0.75 0.03 0.00 -1.25 0.00 0.00 55.69 55.51 1mdc s MET 82 Cb -0.09 -0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.47 1mdc s MET 82 CO 0.19 -0.34 -0.05 0.71 -0.65 0.00 0.00 175.02 174.88 1mdc s TYR 83 N 2.47 2.92 -0.17 4.11 1.51 -1.26 -0.86 117.35 126.06 1mdc s TYR 83 Ca 0.02 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1mdc s TYR 83 Cb -0.13 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1mdc s TYR 83 CO -0.10 0.40 -0.20 0.99 -1.11 0.00 0.00 175.55 175.53 1mdc s THR 84 N -1.04 2.13 -0.26 -0.71 2.01 -0.29 -0.84 115.64 116.65 1mdc s THR 84 Ca 0.18 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1mdc s THR 84 Cb -0.11 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1mdc s THR 84 CO 0.09 0.54 0.09 -0.69 -0.69 0.00 0.00 174.62 173.96 1mdc s VAL 85 N 1.20 4.42 -0.37 3.82 1.01 -1.26 -0.72 120.40 128.49 1mdc s VAL 85 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1mdc s VAL 85 Cb -0.14 -3.11 0.15 0.00 0.00 0.00 0.00 36.38 33.29 1mdc s VAL 85 CO -0.10 0.28 0.30 -0.62 0.00 0.00 0.00 175.10 174.95 1mdc s ASP 86 N 1.62 2.05 1.65 3.32 -1.08 -0.43 -5.03 116.67 118.77 1mdc s ASP 86 Ca 0.06 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.96 1mdc s ASP 86 Cb -0.16 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.26 1mdc s ASP 86 CO 0.05 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.08 1mdc n GLY 87 N 3.88 3.53 0.56 2.66 0.00 -1.26 -1.94 105.19 112.62 1mdc n GLY 87 Ca 0.15 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1mdc n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mdc n ASN 88 N 8.66 1.69 -4.28 1.61 6.94 -1.26 -4.80 115.26 123.81 1mdc n ASN 88 Ca 0.00 -1.66 -0.34 0.00 -0.02 0.00 0.00 54.58 52.56 1mdc n ASN 88 Cb 0.00 -0.08 -0.14 0.00 -2.36 0.00 0.00 39.78 37.20 1mdc n ASN 88 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mdc s VAL 89 N -1.84 3.04 -0.18 3.53 1.01 -0.82 -1.49 120.40 123.65 1mdc s VAL 89 Ca 0.34 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1mdc s VAL 89 Cb 0.19 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1mdc s VAL 89 CO 0.28 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 175.05 1mdc s VAL 90 N 1.26 2.96 -0.15 2.92 1.01 -0.11 -1.31 120.40 126.98 1mdc s VAL 90 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1mdc s VAL 90 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1mdc s VAL 90 CO -0.04 0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 174.55 1mdc s THR 91 N 1.06 3.16 -0.25 3.92 2.01 0.10 -0.35 115.64 125.31 1mdc s THR 91 Ca -0.00 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 1mdc s THR 91 Cb -0.15 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1mdc s THR 91 CO -0.02 0.50 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.10 1mdc s HIS 92 N 0.62 3.03 -0.17 4.92 2.46 -0.27 -1.13 115.29 124.76 1mdc s HIS 92 Ca -0.06 -1.21 -0.08 0.00 0.47 0.00 0.00 55.06 54.19 1mdc s HIS 92 Cb -0.15 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 1mdc s HIS 92 CO 0.03 -0.63 0.09 0.08 -2.47 0.00 0.00 174.74 171.83 1mdc s VAL 93 N 1.42 5.02 -0.02 0.89 1.01 -0.03 -1.06 120.40 127.63 1mdc s VAL 93 Ca 0.03 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1mdc s VAL 93 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1mdc s VAL 93 CO -0.03 0.49 -0.16 0.68 0.00 0.00 0.00 175.10 176.09 1mdc s VAL 94 N 0.04 1.26 -0.17 2.92 -7.23 0.11 -1.43 120.40 115.89 1mdc s VAL 94 Ca 0.07 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1mdc s VAL 94 Cb -0.12 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.77 1mdc s VAL 94 CO 0.00 0.36 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.24 1mdc s LYS 95 N -0.25 3.11 0.27 4.82 2.47 -0.31 -1.27 119.74 128.58 1mdc s LYS 95 Ca 0.03 -0.78 0.03 0.00 -1.56 0.00 0.00 55.97 53.69 1mdc s LYS 95 Cb -0.07 -2.63 -0.01 0.00 -1.46 0.00 0.00 37.83 33.65 1mdc s LYS 95 CO 0.00 -0.13 0.10 0.41 0.16 0.00 0.00 175.35 175.90 1mdc n GLY 96 N 4.44 3.51 0.31 5.54 0.00 0.18 -1.57 105.19 117.61 1mdc n GLY 96 Ca -0.20 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.80 1mdc n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mdc h ASP 97 N 1.10 0.61 0.86 1.61 3.32 -1.99 -2.52 116.42 119.41 1mdc h ASP 97 Ca -0.21 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1mdc h ASP 97 Cb 0.81 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1mdc h ASP 97 CO 0.33 0.51 -0.21 0.00 -1.72 0.00 0.00 179.24 178.15 1mdc h ALA 98 N 1.59 1.05 0.00 3.45 0.00 -1.96 -3.49 119.26 119.90 1mdc h ALA 98 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mdc h ALA 98 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mdc h ALA 98 CO -0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1mdc n GLY 99 N 0.05 0.18 3.28 0.00 0.00 -0.95 -4.89 105.19 102.86 1mdc n GLY 99 Ca -0.00 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1mdc n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mdc s VAL 100 N -3.83 1.91 0.09 1.61 1.01 -1.26 -0.64 120.40 119.28 1mdc s VAL 100 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1mdc s VAL 100 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1mdc s VAL 100 CO 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 1mdc s ALA 101 N -0.59 1.01 -0.08 5.51 0.00 -0.40 -1.16 121.76 126.05 1mdc s ALA 101 Ca 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1mdc s ALA 101 Cb -0.09 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1mdc s ALA 101 CO -0.01 -0.05 -0.17 0.99 0.00 0.00 0.00 175.76 176.52 1mdc s THR 102 N -2.35 1.55 -0.30 0.00 2.01 -0.54 -0.71 115.64 115.31 1mdc s THR 102 Ca 0.03 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1mdc s THR 102 Cb -0.03 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.17 1mdc s THR 102 CO -0.00 0.45 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.98 1mdc s PHE 103 N 0.58 3.42 -0.40 4.92 0.08 -0.22 -1.93 117.98 124.43 1mdc s PHE 103 Ca -0.15 -2.44 -0.19 0.00 0.12 0.00 0.00 56.93 54.26 1mdc s PHE 103 Cb -0.17 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 1mdc s PHE 103 CO 0.05 -0.89 0.57 0.21 -0.10 0.00 0.00 175.22 175.06 1mdc s LYS 104 N 1.07 3.42 -0.34 0.44 2.20 0.03 -1.11 119.74 125.45 1mdc s LYS 104 Ca -0.02 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.19 1mdc s LYS 104 Cb -0.20 -3.89 0.01 0.00 -1.51 0.00 0.00 37.83 32.24 1mdc s LYS 104 CO -0.05 -0.83 0.18 0.15 -0.36 0.00 0.00 175.35 174.44 1mdc s LYS 105 N 2.57 3.14 -0.24 4.03 1.02 0.53 -1.13 119.74 129.65 1mdc s LYS 105 Ca 0.20 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 55.28 1mdc s LYS 105 Cb -0.15 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1mdc s LYS 105 CO 0.16 -0.53 -0.01 -1.21 -0.92 0.00 0.00 175.35 172.84 1mdc s GLU 106 N 1.60 3.30 -0.14 1.68 2.02 -0.38 -0.93 118.70 125.85 1mdc s GLU 106 Ca 0.04 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.27 1mdc s GLU 106 Cb -0.18 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1mdc s GLU 106 CO 0.07 -0.27 0.13 0.71 0.02 0.00 0.00 175.26 175.92 1mdc s TYR 107 N 1.49 3.53 -0.33 1.61 1.51 -0.56 -1.56 117.35 123.03 1mdc s TYR 107 Ca 0.05 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.58 1mdc s TYR 107 Cb -0.15 -1.99 0.15 0.00 -0.11 0.00 0.00 41.96 39.86 1mdc s TYR 107 CO -0.01 0.61 0.37 1.21 -1.11 0.00 0.00 175.55 176.61 1mdc s ASN 108 N -0.67 1.08 1.12 2.29 2.47 -0.24 -4.86 114.94 116.12 1mdc s ASN 108 Ca 0.13 -1.03 0.00 0.00 0.42 0.00 0.00 52.86 52.38 1mdc s ASN 108 Cb -0.12 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 1mdc s ASN 108 CO 0.02 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1mdc n GLY 109 N 4.83 2.50 0.00 1.21 0.00 -1.26 -1.26 105.19 111.22 1mdc n GLY 109 Ca 0.05 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1mdc n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdc n ASP 110 N 3.15 0.00 -4.57 1.61 8.00 -1.26 -4.78 116.55 118.70 1mdc n ASP 110 Ca 0.00 -1.36 -0.32 0.00 0.71 0.00 0.00 54.79 53.82 1mdc n ASP 110 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1mdc n ASP 110 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1mdc s ASP 111 N -1.56 4.46 -0.08 -2.24 1.01 -0.39 -1.31 116.67 116.56 1mdc s ASP 111 Ca 0.23 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.29 1mdc s ASP 111 Cb 0.11 -0.98 0.02 0.00 1.01 0.00 0.00 42.92 43.08 1mdc s ASP 111 CO 0.18 0.27 -0.10 -0.22 0.21 0.00 0.00 175.17 175.51 1mdc s LEU 112 N -1.48 1.44 -0.12 1.23 2.96 -0.67 -1.08 118.68 120.96 1mdc s LEU 112 Ca 0.17 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1mdc s LEU 112 Cb -0.11 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1mdc s LEU 112 CO 0.08 -0.03 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.18 1mdc s VAL 113 N 1.07 2.34 -0.16 1.68 1.01 -0.60 -1.20 120.40 124.53 1mdc s VAL 113 Ca -0.07 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1mdc s VAL 113 Cb -0.14 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1mdc s VAL 113 CO -0.01 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 1mdc s VAL 114 N 0.49 2.81 -0.18 2.92 1.01 0.16 -1.24 120.40 126.36 1mdc s VAL 114 Ca -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1mdc s VAL 114 Cb -0.17 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1mdc s VAL 114 CO 0.05 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.74 1mdc s THR 115 N 0.88 3.81 -0.09 3.92 2.01 -0.29 -1.30 115.64 124.58 1mdc s THR 115 Ca -0.04 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1mdc s THR 115 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1mdc s THR 115 CO -0.01 0.46 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.53 1mdc s ILE 116 N 0.76 2.21 0.15 1.82 1.01 0.24 -0.79 121.20 126.60 1mdc s ILE 116 Ca -0.01 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.74 1mdc s ILE 116 Cb -0.14 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1mdc s ILE 116 CO 0.02 0.56 -0.19 0.42 0.00 0.00 0.00 174.94 175.75 1mdc s THR 117 N 0.18 1.80 0.08 2.92 -4.23 -0.81 -1.47 115.64 114.09 1mdc s THR 117 Ca -0.13 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1mdc s THR 117 Cb -0.16 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1mdc s THR 117 CO 0.07 -0.26 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.25 1mdc s SER 118 N -2.50 1.20 0.00 3.99 0.15 -1.26 -1.46 113.70 113.81 1mdc s SER 118 Ca 0.14 -0.74 0.30 0.00 0.70 0.00 0.00 55.95 56.34 1mdc s SER 118 Cb -0.07 0.03 1.52 0.00 -1.71 0.00 0.00 66.02 65.79 1mdc s SER 118 CO 0.06 -0.27 2.05 -1.54 1.20 0.00 0.00 173.24 174.74 1mdc n SER 119 N 0.82 0.00 -0.77 5.45 3.41 -0.31 -3.57 113.62 118.65 1mdc n SER 119 Ca -0.18 -0.18 0.08 0.00 -0.26 0.00 0.00 58.87 58.33 1mdc n SER 119 Cb 0.57 -0.27 0.14 0.00 -0.26 0.00 0.00 64.21 64.39 1mdc n SER 119 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mdc n ASN 120 N -1.27 2.80 -3.70 4.04 3.02 -1.26 -4.98 115.26 113.90 1mdc n ASN 120 Ca 0.15 -1.82 -0.12 0.00 -0.03 0.00 0.00 54.58 52.76 1mdc n ASN 120 Cb 0.23 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1mdc n ASN 120 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1mdc s TRP 121 N -1.19 -0.17 -2.57 3.10 -0.00 -1.23 -4.95 118.94 111.93 1mdc s TRP 121 Ca 0.26 0.01 0.24 0.00 -0.00 0.00 0.00 56.10 56.60 1mdc s TRP 121 Cb 0.15 0.17 0.21 0.00 -0.00 0.00 0.00 33.47 34.01 1mdc s TRP 121 CO 0.21 -0.58 1.25 -0.25 -0.00 0.00 0.00 176.95 177.59 1mdc n ASP 122 N 0.31 2.45 -4.25 5.86 8.00 -1.26 -4.41 116.55 123.24 1mdc n ASP 122 Ca -0.18 -1.74 -0.30 0.00 0.71 0.00 0.00 54.79 53.29 1mdc n ASP 122 Cb 0.61 0.17 0.18 0.00 -0.02 0.00 0.00 41.12 42.07 1mdc n ASP 122 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1mdc s GLY 123 N -2.19 1.66 -0.06 0.44 0.00 -1.26 -5.06 107.32 100.85 1mdc s GLY 123 Ca 0.25 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1mdc s GLY 123 CO 0.41 -0.19 -0.15 0.14 0.00 0.00 0.00 173.10 173.31 1mdc s VAL 124 N -3.45 1.33 0.11 1.40 1.01 -1.26 -4.65 120.40 114.89 1mdc s VAL 124 Ca 0.70 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1mdc s VAL 124 Cb -0.09 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1mdc s VAL 124 CO 0.54 0.40 -0.09 0.00 0.00 0.00 0.00 175.10 175.94 1mdc s ALA 125 N 0.42 2.99 0.01 5.51 0.00 -0.54 -4.72 121.76 125.43 1mdc s ALA 125 Ca -0.12 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1mdc s ALA 125 Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1mdc s ALA 125 CO 0.04 0.63 -0.09 1.03 0.00 0.00 0.00 175.76 177.38 1mdc s ARG 126 N -2.28 0.64 -0.08 0.00 1.81 -0.24 -0.59 118.95 118.21 1mdc s ARG 126 Ca 0.22 -0.46 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 1mdc s ARG 126 Cb -0.11 -0.58 0.02 0.00 -0.45 0.00 0.00 34.95 33.83 1mdc s ARG 126 CO 0.14 0.15 -0.08 1.03 -0.68 0.00 0.00 175.30 175.86 1mdc s ARG 127 N -0.65 1.41 -0.19 3.54 0.52 -0.42 -0.54 118.95 122.63 1mdc s ARG 127 Ca -0.00 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1mdc s ARG 127 Cb -0.05 -1.37 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 1mdc s ARG 127 CO 0.00 -0.14 -0.03 0.71 0.02 0.00 0.00 175.30 175.86 1mdc s TYR 128 N 1.25 3.00 0.17 -0.53 2.02 0.02 -0.67 117.35 122.62 1mdc s TYR 128 Ca -0.04 -0.55 0.09 0.00 -0.37 0.00 0.00 57.07 56.20 1mdc s TYR 128 Cb -0.14 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1mdc s TYR 128 CO -0.03 -0.27 -0.19 0.71 -1.57 0.00 0.00 175.55 174.21 1mdc s TYR 129 N 0.93 1.87 -0.00 2.71 1.51 -0.34 0.16 117.35 124.18 1mdc s TYR 129 Ca 0.00 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1mdc s TYR 129 Cb -0.14 -0.92 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1mdc s TYR 129 CO 0.01 0.36 -0.05 0.21 -1.11 0.00 0.00 175.55 174.98 1mdc s LYS 130 N -2.86 0.38 0.00 -0.62 2.47 -0.19 -1.66 119.74 117.25 1mdc s LYS 130 Ca 0.17 -0.16 0.22 0.00 -1.56 0.00 0.00 55.97 54.63 1mdc s LYS 130 Cb -0.06 -0.36 0.17 0.00 -1.46 0.00 0.00 37.83 36.12 1mdc s LYS 130 CO 0.07 0.10 1.18 0.00 0.16 0.00 0.00 175.35 176.86