#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3md7 s PRO 4 N 0.00 3.56 -0.04 4.33 0.02 -1.26 -5.02 135.00 136.58 3md7 s PRO 4 Ca 0.00 1.70 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 3md7 s PRO 4 Cb 0.00 -2.21 0.01 0.00 0.02 0.00 0.00 34.50 32.32 3md7 s PRO 4 CO 0.00 -0.70 0.15 1.03 -0.33 0.00 0.00 177.00 177.15 3md7 s ARG 5 N -2.98 0.28 -1.25 5.54 1.81 -1.26 -4.31 118.95 116.77 3md7 s ARG 5 Ca 0.68 0.04 -0.10 0.00 -1.72 0.00 0.00 55.73 54.62 3md7 s ARG 5 Cb -0.26 0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.36 3md7 s ARG 5 CO 0.31 -0.05 0.66 0.09 -0.68 0.00 0.00 175.30 175.63 3md7 n ASN 6 N 2.53 -2.99 -3.59 0.23 5.03 -0.57 -4.94 115.26 110.96 3md7 n ASN 6 Ca -0.16 -0.97 -0.09 0.00 0.87 0.00 0.00 54.58 54.23 3md7 n ASN 6 Cb 0.58 -3.43 -0.02 0.00 -1.02 0.00 0.00 39.78 35.89 3md7 n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3md7 s LEU 8 N -2.77 4.34 -0.07 0.00 1.43 -0.19 -0.64 118.68 120.78 3md7 s LEU 8 Ca 0.06 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 3md7 s LEU 8 Cb -0.02 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.20 3md7 s LEU 8 CO -0.05 0.16 -0.12 -0.60 0.23 0.00 0.00 176.35 175.97 3md7 s ARG 9 N -1.97 1.67 -0.09 1.70 3.52 0.20 -1.11 118.95 122.88 3md7 s ARG 9 Ca 0.34 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 3md7 s ARG 9 Cb -0.14 -1.43 -0.02 0.00 -1.56 0.00 0.00 34.95 31.80 3md7 s ARG 9 CO 0.18 -0.02 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.47 3md7 s PHE 10 N 0.82 2.79 -0.13 5.12 0.08 -0.13 -0.93 117.98 125.60 3md7 s PHE 10 Ca -0.12 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.59 3md7 s PHE 10 Cb -0.15 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3md7 s PHE 10 CO 0.02 0.02 -0.14 0.99 -0.10 0.00 0.00 175.22 176.02 3md7 s THR 11 N -0.22 1.46 -0.90 0.64 2.01 -0.51 -1.60 115.64 116.52 3md7 s THR 11 Ca 0.01 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 3md7 s THR 11 Cb -0.13 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.05 3md7 s THR 11 CO 0.03 0.44 1.39 -0.22 -0.69 0.00 0.00 174.62 175.57 3md7 s LEU 12 N 1.28 3.36 0.26 4.42 2.96 0.47 -0.82 118.68 130.62 3md7 s LEU 12 Ca -0.00 -1.03 0.01 0.00 -0.22 0.00 0.00 54.13 52.89 3md7 s LEU 12 Cb -0.14 -2.57 0.36 0.00 0.50 0.00 0.00 46.19 44.34 3md7 s LEU 12 CO -0.06 -1.66 1.69 -0.07 -1.32 0.00 0.00 176.35 174.93 3md7 h LEU 13 N 12.97 0.53 -7.40 -0.68 3.38 -1.56 0.92 115.31 123.47 3md7 h LEU 13 Ca 0.00 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3md7 h LEU 13 Cb 1.03 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.41 3md7 h LEU 13 CO 1.37 0.79 -0.26 -0.83 0.09 0.00 0.00 178.44 179.60 3md7 s GLY 14 N -4.00 -0.24 -0.02 0.83 0.00 -1.01 -4.53 107.32 98.35 3md7 s GLY 14 Ca -0.07 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.46 3md7 s GLY 14 CO 0.80 0.61 0.82 0.00 0.00 0.00 0.00 173.10 175.33 3md7 s GLY 16 N -0.83 1.75 1.12 0.00 0.00 0.21 -1.00 107.32 108.56 3md7 s GLY 16 Ca 0.04 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 3md7 s GLY 16 CO 0.00 -1.02 1.13 -1.35 0.00 0.00 0.00 173.10 171.87 3md7 s SER 17 N -4.35 1.67 0.40 1.64 1.04 -1.10 -3.60 113.70 109.40 3md7 s SER 17 Ca 0.54 0.71 0.12 0.00 0.48 0.00 0.00 55.95 57.80 3md7 s SER 17 Cb -0.10 -1.03 0.95 0.00 0.10 0.00 0.00 66.02 65.94 3md7 s SER 17 CO 0.38 -3.67 1.92 0.77 0.98 0.00 0.00 173.24 173.62 3md7 h SER 18 N -2.27 0.49 0.10 7.02 4.64 -1.94 -0.39 113.55 121.20 3md7 h SER 18 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3md7 h SER 18 Cb 1.30 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3md7 h SER 18 CO 0.41 0.27 -0.07 -0.81 -0.87 0.00 0.00 176.83 175.75 3md7 n PRO 19 N -4.50 1.23 -0.36 4.77 -0.04 -1.26 -4.85 135.00 130.00 3md7 n PRO 19 Ca 0.14 -0.61 0.05 0.00 -0.04 0.00 0.00 63.50 63.04 3md7 n PRO 19 Cb 0.46 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3md7 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3md7 n GLY 20 N 1.20 -1.93 2.97 0.55 0.00 -0.16 -4.28 105.19 103.55 3md7 n GLY 20 Ca 0.17 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 3md7 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3md7 s VAL 21 N -2.04 1.22 0.99 1.61 1.01 -0.79 -3.56 120.40 118.84 3md7 s VAL 21 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 3md7 s VAL 21 Cb 0.00 -1.17 0.18 0.00 0.00 0.00 0.00 36.38 35.39 3md7 s VAL 21 CO 0.00 0.39 1.09 -2.16 0.00 0.00 0.00 175.10 174.42 3md7 s PRO 22 N 1.34 0.49 1.07 2.72 0.04 -1.26 -0.61 135.00 138.78 3md7 s PRO 22 Ca -0.01 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 3md7 s PRO 22 Cb -0.14 -1.74 0.23 0.00 0.04 0.00 0.00 34.50 32.89 3md7 s PRO 22 CO -0.05 -2.71 1.06 1.03 0.04 0.00 0.00 177.00 176.37 3md7 s ARG 23 N -4.93 -0.14 0.57 4.56 0.52 -0.22 -4.87 118.95 114.44 3md7 s ARG 23 Ca 0.65 0.80 0.26 0.00 -0.52 0.00 0.00 55.73 56.92 3md7 s ARG 23 Cb -0.19 -1.65 1.61 0.00 0.52 0.00 0.00 34.95 35.24 3md7 s ARG 23 CO 0.58 -3.19 2.17 0.97 0.02 0.00 0.00 175.30 175.85 3md7 h ILE 24 N -2.23 0.64 -0.10 1.52 2.10 -1.90 -0.06 117.51 117.47 3md7 h ILE 24 Ca -0.57 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3md7 h ILE 24 Cb 1.32 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3md7 h ILE 24 CO 0.52 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.13 3md7 n ASN 25 N -4.05 0.62 0.00 2.19 6.94 -1.26 -4.90 115.26 114.81 3md7 n ASN 25 Ca -0.01 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3md7 n ASN 25 Cb 0.19 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3md7 n ASN 25 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3md7 n GLY 26 N 0.75 0.64 3.63 4.83 0.00 -0.04 -5.02 105.19 109.99 3md7 n GLY 26 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3md7 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3md7 s ASP 27 N -2.18 6.79 0.00 1.61 2.15 -1.25 -4.80 116.67 118.99 3md7 s ASP 27 Ca 0.00 1.03 0.27 0.00 0.43 0.00 0.00 52.55 54.28 3md7 s ASP 27 Cb 0.00 -2.54 0.83 0.00 -0.30 0.00 0.00 42.92 40.91 3md7 s ASP 27 CO 0.00 -1.01 1.61 0.79 -0.17 0.00 0.00 175.17 176.39 3md7 n TRP 28 N 7.30 0.00 0.00 -5.34 7.02 -1.26 -1.06 117.44 124.11 3md7 n TRP 28 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 3md7 n TRP 28 Cb 0.47 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 3md7 n TRP 28 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3md7 n GLY 29 N 1.37 3.89 1.19 6.99 0.00 -1.26 -1.21 105.19 116.15 3md7 n GLY 29 Ca 0.11 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3md7 n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3md7 n LYS 30 N 13.94 2.52 -2.55 1.61 4.76 -0.48 -4.95 118.16 133.02 3md7 n LYS 30 Ca 0.00 -2.33 -0.40 0.00 -2.87 0.00 0.00 58.31 52.71 3md7 n LYS 30 Cb 0.00 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 31.62 3md7 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3md7 s ASP 32 N -0.76 6.26 0.15 0.00 -1.08 -1.26 -4.87 116.67 115.11 3md7 s ASP 32 Ca 0.45 1.45 0.18 0.00 -0.52 0.00 0.00 52.55 54.11 3md7 s ASP 32 Cb -0.30 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.41 3md7 s ASP 32 CO 0.38 -1.39 1.55 -2.65 0.52 0.00 0.00 175.17 173.58 3md7 n PRO 33 N 7.89 0.10 0.06 4.34 -0.02 -1.26 -2.12 135.00 143.99 3md7 n PRO 33 Ca 0.20 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3md7 n PRO 33 Cb 0.46 -1.72 0.32 0.00 -0.02 0.00 0.00 33.50 32.54 3md7 n PRO 33 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3md7 n LYS 34 N -1.91 0.20 -3.23 -0.52 4.01 -1.26 -4.70 118.16 110.75 3md7 n LYS 34 Ca 0.02 0.10 -0.42 0.00 -0.51 0.00 0.00 58.31 57.51 3md7 n LYS 34 Cb 0.17 -1.67 -0.08 0.00 -0.51 0.00 0.00 35.03 32.93 3md7 n LYS 34 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3md7 s ASN 35 N -4.00 6.31 0.56 4.39 3.84 -0.90 -4.95 114.94 120.20 3md7 s ASN 35 Ca 0.09 -0.08 0.25 0.00 0.21 0.00 0.00 52.86 53.33 3md7 s ASN 35 Cb 0.14 -2.27 1.52 0.00 -0.55 0.00 0.00 41.25 40.09 3md7 s ASN 35 CO 0.65 -0.51 2.09 -0.65 -2.79 0.00 0.00 177.10 175.89 3md7 h PRO 36 N 8.51 0.00 0.00 0.43 0.11 -1.87 -0.69 132.00 138.49 3md7 h PRO 36 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3md7 h PRO 36 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3md7 h PRO 36 CO 0.79 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.45 3md7 h LYS 37 N 0.00 0.00 0.00 1.05 1.57 -1.94 -1.82 116.57 115.43 3md7 h LYS 37 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3md7 h LYS 37 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3md7 h LYS 37 CO -0.00 0.00 -0.17 0.09 -0.57 0.00 0.00 179.45 178.79 3md7 n ASN 38 N -2.33 0.31 -4.63 0.86 3.02 -0.26 -4.64 115.26 107.58 3md7 n ASN 38 Ca 0.00 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.43 3md7 n ASN 38 Cb 0.15 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 3md7 n ASN 38 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3md7 s ARG 39 N -3.03 4.04 -0.11 3.52 3.52 -0.69 -4.59 118.95 121.62 3md7 s ARG 39 Ca 0.12 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.73 3md7 s ARG 39 Cb 0.17 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3md7 s ARG 39 CO 0.60 -0.88 -0.15 1.03 -0.81 0.00 0.00 175.30 175.08 3md7 s ARG 40 N 3.58 2.19 0.74 5.12 0.52 0.22 -4.67 118.95 126.64 3md7 s ARG 40 Ca 0.44 -0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 3md7 s ARG 40 Cb -0.12 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.52 3md7 s ARG 40 CO 0.15 -0.06 1.12 1.03 0.02 0.00 0.00 175.30 177.56 3md7 s ARG 41 N 0.99 2.50 0.64 3.54 0.52 -1.26 -1.88 118.95 124.00 3md7 s ARG 41 Ca -0.07 0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 55.27 3md7 s ARG 41 Cb -0.15 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3md7 s ARG 41 CO -0.01 -1.24 1.13 1.03 0.02 0.00 0.00 175.30 176.22 3md7 s ARG 42 N -5.42 2.84 0.08 3.54 3.00 -1.26 -0.62 118.95 121.10 3md7 s ARG 42 Ca 0.59 1.47 -0.31 0.00 0.00 0.00 0.00 55.73 57.49 3md7 s ARG 42 Cb -0.11 -1.95 -0.07 0.00 0.00 0.00 0.00 34.95 32.82 3md7 s ARG 42 CO 0.50 -1.24 1.43 0.00 0.00 0.00 0.00 175.30 176.00 3md7 s ALA 43 N -2.19 3.61 -0.06 2.13 0.00 -1.24 -3.90 121.76 120.12 3md7 s ALA 43 Ca 0.69 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 3md7 s ALA 43 Cb -0.22 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.41 3md7 s ALA 43 CO 0.39 -0.77 0.79 0.45 0.00 0.00 0.00 175.76 176.62 3md7 s SER 44 N 1.51 -0.53 -0.04 0.00 0.15 -1.03 -4.82 113.70 108.95 3md7 s SER 44 Ca 0.66 0.46 0.03 0.00 0.70 0.00 0.00 55.95 57.80 3md7 s SER 44 Cb -0.36 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3md7 s SER 44 CO 0.29 -0.57 -0.11 -0.22 1.20 0.00 0.00 173.24 173.84 3md7 s LEU 45 N -1.48 1.75 -0.15 3.45 2.96 -1.02 -1.46 118.68 122.74 3md7 s LEU 45 Ca -0.05 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3md7 s LEU 45 Cb -0.00 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 3md7 s LEU 45 CO 0.03 0.07 0.12 -0.22 -1.32 0.00 0.00 176.35 175.02 3md7 s LEU 46 N 0.31 4.20 -0.13 -0.68 2.96 0.00 -0.59 118.68 124.75 3md7 s LEU 46 Ca -0.06 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3md7 s LEU 46 Cb -0.11 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3md7 s LEU 46 CO 0.01 0.30 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.52 3md7 s VAL 47 N -0.39 1.47 0.08 1.68 1.01 0.29 -1.42 120.40 123.12 3md7 s VAL 47 Ca 0.11 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3md7 s VAL 47 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3md7 s VAL 47 CO 0.01 0.44 -0.18 -1.61 0.00 0.00 0.00 175.10 173.76 3md7 s GLU 48 N 1.28 1.04 -0.12 2.72 2.02 -0.11 -0.71 118.70 124.83 3md7 s GLU 48 Ca -0.00 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 53.98 3md7 s GLU 48 Cb -0.14 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 32.91 3md7 s GLU 48 CO -0.06 0.28 -0.21 0.50 0.02 0.00 0.00 175.26 175.79 3md7 s ARG 49 N -1.71 2.83 -0.10 1.61 3.52 -0.40 -0.63 118.95 124.07 3md7 s ARG 49 Ca 0.04 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 3md7 s ARG 49 Cb -0.10 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.02 3md7 s ARG 49 CO 0.03 0.05 -0.04 0.71 -0.81 0.00 0.00 175.30 175.25 3md7 s TYR 50 N 0.65 3.02 0.00 5.12 1.51 0.19 -1.17 117.35 126.68 3md7 s TYR 50 Ca -0.12 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 3md7 s TYR 50 Cb -0.16 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3md7 s TYR 50 CO 0.03 0.23 0.00 -0.40 -1.11 0.00 0.00 175.55 174.30 3md7 n ASP 51 N 2.69 0.00 0.25 2.29 5.68 -0.54 -1.98 116.55 124.94 3md7 n ASP 51 Ca -0.18 -0.81 0.13 0.00 -0.50 0.00 0.00 54.79 53.43 3md7 n ASP 51 Cb 0.53 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.10 3md7 n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3md7 h ALA 52 N -1.05 1.05 -0.30 2.12 0.00 -1.93 -1.44 119.26 117.71 3md7 h ALA 52 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3md7 h ALA 52 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3md7 h ALA 52 CO 0.00 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3md7 n GLU 53 N -3.32 2.26 -0.82 0.00 -0.58 -1.26 -4.82 120.64 112.10 3md7 n GLU 53 Ca -0.00 -2.08 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 3md7 n GLU 53 Cb 0.35 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3md7 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3md7 n GLY 54 N 1.26 0.60 3.77 0.62 0.00 -1.02 -5.05 105.19 105.38 3md7 n GLY 54 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3md7 n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3md7 s ASN 55 N -2.05 6.24 0.03 1.61 0.01 -1.26 -4.79 114.94 114.74 3md7 s ASN 55 Ca 0.00 2.32 0.05 0.00 -0.71 0.00 0.00 52.86 54.52 3md7 s ASN 55 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3md7 s ASN 55 CO 0.00 -0.87 -0.15 0.54 -1.51 0.00 0.00 177.10 175.11 3md7 s ASN 56 N -1.31 1.74 -0.17 -1.22 4.22 -1.26 -1.46 114.94 115.48 3md7 s ASN 56 Ca 0.62 -0.44 -0.08 0.00 -2.14 0.00 0.00 52.86 50.82 3md7 s ASN 56 Cb -0.29 -0.12 -0.05 0.00 1.28 0.00 0.00 41.25 42.07 3md7 s ASN 56 CO 0.36 0.06 0.12 -0.89 -2.04 0.00 0.00 177.10 174.71 3md7 s THR 57 N -0.79 5.36 -0.09 0.54 2.01 -0.31 -3.38 115.64 118.97 3md7 s THR 57 Ca 0.03 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3md7 s THR 57 Cb -0.08 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.06 3md7 s THR 57 CO 0.01 0.51 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 3md7 s VAL 58 N -0.19 0.91 -0.04 3.82 1.01 -1.26 -1.27 120.40 123.37 3md7 s VAL 58 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3md7 s VAL 58 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3md7 s VAL 58 CO 0.01 0.34 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 3md7 s VAL 59 N 1.46 0.77 -0.10 2.92 1.01 0.12 -0.48 120.40 126.10 3md7 s VAL 59 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3md7 s VAL 59 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3md7 s VAL 59 CO -0.05 0.26 0.07 0.54 0.00 0.00 0.00 175.10 175.93 3md7 s VAL 60 N 0.56 4.92 -0.40 2.92 0.11 -0.91 -0.55 120.40 127.07 3md7 s VAL 60 Ca -0.09 -0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 3md7 s VAL 60 Cb -0.13 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.62 3md7 s VAL 60 CO 0.01 0.59 0.27 -0.63 -3.33 0.00 0.00 175.10 172.02 3md7 s ILE 61 N -0.98 5.10 0.12 7.04 1.01 0.24 -0.62 121.20 133.12 3md7 s ILE 61 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3md7 s ILE 61 Cb -0.12 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3md7 s ILE 61 CO 0.04 -0.27 0.00 0.47 0.00 0.00 0.00 174.94 175.18 3md7 n ASP 62 N 5.12 -2.39 -3.67 3.58 8.00 0.15 -2.42 116.55 124.92 3md7 n ASP 62 Ca -0.11 0.33 -0.27 0.00 0.71 0.00 0.00 54.79 55.44 3md7 n ASP 62 Cb 0.47 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 3md7 n ASP 62 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3md7 n THR 63 N -1.27 0.49 -1.38 -3.53 -2.24 -0.27 -4.77 114.28 101.31 3md7 n THR 63 Ca 0.00 -4.30 -0.01 0.00 -2.27 0.00 0.00 64.05 57.47 3md7 n THR 63 Cb 0.04 -1.97 0.01 0.00 -2.10 0.00 0.00 70.33 66.31 3md7 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3md7 n GLY 64 N 2.25 -0.60 0.29 3.38 0.00 -1.23 -0.93 105.19 108.35 3md7 n GLY 64 Ca 0.24 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.66 3md7 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3md7 h PRO 65 N 0.00 0.00 -0.04 1.61 0.13 -1.79 -1.40 132.00 130.50 3md7 h PRO 65 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3md7 h PRO 65 Cb 0.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3md7 h PRO 65 CO 0.01 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 177.58 3md7 n ASP 66 N -3.69 0.98 -0.16 1.44 8.00 -1.26 -4.48 116.55 117.38 3md7 n ASP 66 Ca -0.02 -1.42 -0.03 0.00 0.71 0.00 0.00 54.79 54.02 3md7 n ASP 66 Cb 0.15 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3md7 n ASP 66 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3md7 h PHE 67 N 1.44 -0.24 0.06 1.24 3.57 -1.59 -0.04 116.94 121.38 3md7 h PHE 67 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3md7 h PHE 67 Cb 0.31 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3md7 h PHE 67 CO 0.02 -0.20 -0.08 -0.09 -2.23 0.00 0.00 178.31 175.73 3md7 h ARG 68 N 0.01 -0.17 -0.19 1.11 2.43 -1.84 -0.77 114.38 114.97 3md7 h ARG 68 Ca 0.24 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3md7 h ARG 68 Cb 0.36 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3md7 h ARG 68 CO -0.50 -0.11 -0.25 0.52 -1.51 0.00 0.00 179.97 178.12 3md7 h MET 69 N -0.17 0.35 -0.09 0.20 2.86 -1.78 -1.12 114.93 115.17 3md7 h MET 69 Ca 0.01 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3md7 h MET 69 Cb 0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3md7 h MET 69 CO -0.05 0.58 0.06 1.96 1.06 0.00 0.00 176.91 180.52 3md7 h GLN 70 N 0.31 0.13 -0.35 1.72 4.20 -0.68 -0.43 115.11 120.01 3md7 h GLN 70 Ca 0.05 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3md7 h GLN 70 Cb 0.62 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3md7 h GLN 70 CO 0.04 0.12 -0.08 0.52 -0.67 0.00 0.00 178.83 178.77 3md7 h MET 71 N 0.09 0.68 -0.13 1.46 2.86 -0.91 -1.68 114.93 117.30 3md7 h MET 71 Ca 0.03 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3md7 h MET 71 Cb 0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3md7 h MET 71 CO -0.01 0.84 -0.05 0.82 1.06 0.00 0.00 176.91 179.57 3md7 h ILE 72 N 0.47 0.82 0.00 -1.22 2.04 -1.10 -2.68 117.51 115.83 3md7 h ILE 72 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3md7 h ILE 72 Cb 0.58 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3md7 h ILE 72 CO 0.03 0.00 -0.13 0.44 0.00 0.00 0.00 178.15 178.49 3md7 h ASP 73 N -0.03 0.00 1.03 1.72 3.32 -0.99 -2.70 116.42 118.76 3md7 h ASP 73 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3md7 h ASP 73 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3md7 h ASP 73 CO -0.15 0.13 -0.02 0.77 -1.72 0.00 0.00 179.24 178.24 3md7 h SER 74 N 0.00 0.00 0.00 6.45 4.64 -0.95 -3.46 113.55 120.23 3md7 h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3md7 h SER 74 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3md7 h SER 74 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3md7 n GLY 75 N 0.06 0.74 3.60 -0.77 0.00 -1.02 -5.00 105.19 102.79 3md7 n GLY 75 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3md7 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3md7 s VAL 76 N -3.18 5.25 -0.82 1.61 1.01 -1.26 -4.97 120.40 118.04 3md7 s VAL 76 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 61.98 62.47 3md7 s VAL 76 Cb 0.00 -3.61 0.42 0.00 0.00 0.00 0.00 36.38 33.20 3md7 s VAL 76 CO 0.00 0.21 1.35 1.41 0.00 0.00 0.00 175.10 178.07 3md7 n HIS 77 N 5.16 0.72 -4.00 5.22 -0.00 -1.26 -4.77 115.22 116.30 3md7 n HIS 77 Ca -0.12 -0.60 -0.08 0.00 -0.00 0.00 0.00 57.72 56.92 3md7 n HIS 77 Cb 0.51 -0.12 -0.09 0.00 -0.00 0.00 0.00 29.99 30.30 3md7 n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3md7 s MET 78 N -1.54 0.83 -0.14 -0.41 0.23 -1.26 -5.06 119.30 111.94 3md7 s MET 78 Ca 0.32 -1.16 -0.10 0.00 -1.03 0.00 0.00 55.69 53.73 3md7 s MET 78 Cb 0.20 0.29 0.04 0.00 -1.53 0.00 0.00 34.83 33.83 3md7 s MET 78 CO 0.16 -0.24 0.35 -1.17 -2.03 0.00 0.00 175.02 172.09 3md7 s LEU 79 N -2.93 0.41 -0.15 0.18 2.96 -1.26 -4.87 118.68 113.02 3md7 s LEU 79 Ca 0.11 0.72 0.13 0.00 -0.22 0.00 0.00 54.13 54.87 3md7 s LEU 79 Cb 0.06 1.15 -0.24 0.00 0.50 0.00 0.00 46.19 47.67 3md7 s LEU 79 CO -0.07 -0.15 0.24 0.47 -1.32 0.00 0.00 176.35 175.52 3md7 n ASP 80 N 3.53 0.64 -3.51 3.68 8.00 0.37 -4.98 116.55 124.28 3md7 n ASP 80 Ca -0.18 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 3md7 n ASP 80 Cb 0.56 0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 42.02 3md7 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3md7 s ALA 81 N -2.53 -1.76 -0.03 2.24 0.00 -1.19 -4.32 121.76 114.16 3md7 s ALA 81 Ca -0.12 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.75 3md7 s ALA 81 Cb 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3md7 s ALA 81 CO 0.80 -0.73 -0.24 0.00 0.00 0.00 0.00 175.76 175.59 3md7 s ALA 82 N -3.26 2.02 -0.05 0.00 0.00 -0.72 -2.13 121.76 117.62 3md7 s ALA 82 Ca 0.05 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.06 3md7 s ALA 82 Cb -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3md7 s ALA 82 CO -0.09 0.45 -0.25 0.08 0.00 0.00 0.00 175.76 175.95 3md7 s VAL 83 N -0.37 2.06 -0.06 0.00 1.01 0.21 -1.01 120.40 122.25 3md7 s VAL 83 Ca 0.03 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3md7 s VAL 83 Cb -0.11 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3md7 s VAL 83 CO 0.01 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.25 3md7 s TYR 84 N -0.26 2.78 -0.04 5.22 2.02 -0.48 -0.67 117.35 125.91 3md7 s TYR 84 Ca -0.01 -0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 56.37 3md7 s TYR 84 Cb -0.13 -1.66 -0.31 0.00 -0.40 0.00 0.00 41.96 39.45 3md7 s TYR 84 CO 0.03 0.21 0.86 1.79 -1.57 0.00 0.00 175.55 176.86 3md7 h THR 85 N 4.37 1.40 -1.35 -0.71 1.35 -1.90 -3.44 112.91 112.62 3md7 h THR 85 Ca -0.46 -2.54 0.31 0.00 -0.55 0.00 0.00 66.41 63.16 3md7 h THR 85 Cb 1.16 3.10 -0.16 0.00 -1.73 0.00 0.00 68.15 70.52 3md7 h THR 85 CO 0.51 0.73 0.86 -1.38 -0.25 0.00 0.00 175.52 175.99 3md7 s HIS 86 N -2.46 -0.07 -0.81 4.73 -3.43 -1.26 -1.41 115.29 110.58 3md7 s HIS 86 Ca -0.14 0.01 -0.02 0.00 -0.80 0.00 0.00 55.06 54.11 3md7 s HIS 86 Cb 0.02 0.52 0.32 0.00 -1.43 0.00 0.00 32.58 32.01 3md7 s HIS 86 CO 0.84 -0.18 2.10 -0.35 -2.00 0.00 0.00 174.74 175.15 3md7 n PRO 87 N -0.26 2.79 -3.59 -0.38 -0.04 -1.26 -4.77 135.00 127.51 3md7 n PRO 87 Ca -0.03 -3.43 -0.32 0.00 -0.04 0.00 0.00 63.50 59.68 3md7 n PRO 87 Cb 0.60 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.75 3md7 n PRO 87 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3md7 s HIS 88 N -3.83 3.49 0.28 0.54 3.76 -1.26 -5.00 115.29 113.27 3md7 s HIS 88 Ca 0.52 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 56.12 3md7 s HIS 88 Cb 0.43 -2.11 0.63 0.00 1.11 0.00 0.00 32.58 32.64 3md7 s HIS 88 CO -0.39 0.42 1.64 0.00 -0.85 0.00 0.00 174.74 175.56 3md7 h ALA 89 N 2.99 1.13 0.00 -1.40 0.00 -1.97 0.51 119.26 120.52 3md7 h ALA 89 Ca -0.47 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3md7 h ALA 89 Cb 1.17 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3md7 h ALA 89 CO 0.70 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3md7 n ASP 90 N -5.27 0.00 -0.00 0.00 5.75 -1.26 -1.85 116.55 113.92 3md7 n ASP 90 Ca 0.19 0.48 0.04 0.00 -0.01 0.00 0.00 54.79 55.49 3md7 n ASP 90 Cb 0.62 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 3md7 n ASP 90 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3md7 n HIS 91 N -1.49 0.00 0.00 2.11 8.25 0.15 -4.07 115.22 120.16 3md7 n HIS 91 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3md7 n HIS 91 Cb 0.13 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3md7 n HIS 91 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3md7 n ILE 92 N -1.31 0.00 1.32 1.59 -5.35 -1.08 -1.12 119.36 113.42 3md7 n ILE 92 Ca 0.01 -0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 3md7 n ILE 92 Cb 0.14 0.34 0.66 0.00 -1.74 0.00 0.00 39.64 39.05 3md7 n ILE 92 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3md7 n HIS 93 N -0.59 0.00 0.64 4.28 8.25 -0.77 -2.00 115.22 125.01 3md7 n HIS 93 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 3md7 n HIS 93 Cb 0.00 -0.14 0.23 0.00 1.12 0.00 0.00 29.99 31.20 3md7 n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3md7 n GLY 94 N 0.62 1.05 0.34 -1.41 0.00 -0.11 -4.66 105.19 101.02 3md7 n GLY 94 Ca 0.15 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3md7 n GLY 94 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3md7 h ILE 95 N 2.73 0.91 -0.00 -0.61 2.10 -1.42 -1.44 117.51 119.77 3md7 h ILE 95 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3md7 h ILE 95 Cb 0.62 0.54 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 3md7 h ILE 95 CO 0.00 0.06 0.00 -0.78 -1.08 0.00 0.00 178.15 176.35 3md7 h ASP 96 N 0.34 0.00 0.26 2.19 3.58 -1.86 -1.99 116.42 118.93 3md7 h ASP 96 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3md7 h ASP 96 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3md7 h ASP 96 CO -0.06 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.77 3md7 n ASP 97 N -4.44 0.00 0.31 2.28 8.00 -0.54 -1.86 116.55 120.30 3md7 n ASP 97 Ca -0.03 -0.04 0.20 0.00 0.71 0.00 0.00 54.79 55.63 3md7 n ASP 97 Cb 0.09 -0.24 0.99 0.00 -0.02 0.00 0.00 41.12 41.94 3md7 n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3md7 h LEU 98 N 0.00 0.00 -0.78 0.64 3.38 -1.54 -3.32 115.31 113.68 3md7 h LEU 98 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3md7 h LEU 98 Cb 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3md7 h LEU 98 CO 0.00 0.00 0.38 -0.09 0.09 0.00 0.00 178.44 178.82 3md7 h ARG 99 N 0.00 0.56 -0.95 1.13 2.43 -1.60 -2.01 114.38 113.93 3md7 h ARG 99 Ca 0.00 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3md7 h ARG 99 Cb 0.19 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 3md7 h ARG 99 CO 0.00 0.37 0.60 1.15 -1.51 0.00 0.00 179.97 180.58 3md7 h THR 100 N 0.58 1.01 -0.01 0.20 2.02 -1.84 -1.98 112.91 112.88 3md7 h THR 100 Ca 0.42 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 3md7 h THR 100 Cb 0.55 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3md7 h THR 100 CO -0.34 0.19 -0.35 1.88 0.37 0.00 0.00 175.52 177.27 3md7 h TYR 101 N 1.04 0.03 -0.71 3.16 0.05 -1.63 -1.82 116.97 117.09 3md7 h TYR 101 Ca 0.43 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.15 3md7 h TYR 101 Cb 0.28 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 3md7 h TYR 101 CO -0.02 0.37 0.20 0.28 -1.05 0.00 0.00 178.16 177.94 3md7 h VAL 102 N 0.02 1.26 -0.15 -2.88 2.07 -1.30 0.21 116.25 115.49 3md7 h VAL 102 Ca 0.00 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3md7 h VAL 102 Cb 0.63 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3md7 h VAL 102 CO 0.05 0.36 0.04 0.58 0.02 0.00 0.00 177.57 178.62 3md7 h VAL 103 N 1.05 1.19 -0.74 2.57 2.07 -1.19 -1.03 116.25 120.18 3md7 h VAL 103 Ca 0.23 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3md7 h VAL 103 Cb 0.34 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3md7 h VAL 103 CO -0.00 0.18 0.30 0.44 0.02 0.00 0.00 177.57 178.51 3md7 h ASP 104 N 0.05 1.03 1.64 0.57 3.32 -0.98 -3.01 116.42 119.04 3md7 h ASP 104 Ca 0.05 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3md7 h ASP 104 Cb 0.25 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3md7 h ASP 104 CO -0.00 0.92 -0.36 0.78 -1.72 0.00 0.00 179.24 178.86 3md7 h ASN 105 N 1.07 0.00 -0.63 6.45 2.35 -0.56 -3.48 115.58 120.78 3md7 h ASN 105 Ca 0.25 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.81 3md7 h ASN 105 Cb 0.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 3md7 h ASN 105 CO -0.02 0.06 -0.18 0.61 -1.65 0.00 0.00 177.43 176.25 3md7 n GLY 106 N 1.14 0.83 3.40 2.83 0.00 -0.40 -4.99 105.19 108.01 3md7 n GLY 106 Ca 0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3md7 n GLY 106 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3md7 s ARG 107 N -3.16 1.14 0.55 1.61 1.70 -1.17 -5.06 118.95 114.55 3md7 s ARG 107 Ca 0.00 -0.35 -0.20 0.00 -0.47 0.00 0.00 55.73 54.71 3md7 s ARG 107 Cb 0.00 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 3md7 s ARG 107 CO 0.00 -0.45 0.87 1.28 -1.08 0.00 0.00 175.30 175.93 3md7 n LEU 108 N 0.06 2.74 -4.68 -1.89 4.77 -1.26 -4.51 117.00 112.22 3md7 n LEU 108 Ca -0.18 0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 56.23 3md7 n LEU 108 Cb 0.62 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 3md7 n LEU 108 CO 0.17 -2.04 0.79 -0.32 -1.33 0.00 0.00 177.39 174.65 3md7 s MET 109 N -2.41 4.38 -0.03 3.23 -2.45 0.02 -4.72 119.30 117.31 3md7 s MET 109 Ca 0.71 1.33 -0.30 0.00 -1.25 0.00 0.00 55.69 56.18 3md7 s MET 109 Cb -0.46 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 3md7 s MET 109 CO 0.51 -0.37 1.27 -0.51 1.05 0.00 0.00 175.02 176.97 3md7 s ASP 110 N 1.12 6.98 0.07 1.11 1.01 -1.26 -0.66 116.67 125.04 3md7 s ASP 110 Ca 0.46 1.92 0.08 0.00 0.71 0.00 0.00 52.55 55.72 3md7 s ASP 110 Cb -0.17 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3md7 s ASP 110 CO 0.15 -0.62 -0.20 0.68 0.21 0.00 0.00 175.17 175.38 3md7 s VAL 111 N 2.22 1.66 -0.09 -1.27 -7.23 -0.11 -1.75 120.40 113.83 3md7 s VAL 111 Ca 0.59 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3md7 s VAL 111 Cb -0.27 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3md7 s VAL 111 CO 0.24 0.07 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.65 3md7 s TYR 112 N -0.97 1.77 -0.07 2.82 2.02 -0.18 -0.42 117.35 122.33 3md7 s TYR 112 Ca 0.07 -0.75 -0.28 0.00 -0.37 0.00 0.00 57.07 55.73 3md7 s TYR 112 Cb -0.09 -1.28 0.06 0.00 -0.40 0.00 0.00 41.96 40.25 3md7 s TYR 112 CO 0.03 -0.39 0.62 0.00 -1.57 0.00 0.00 175.55 174.24 3md7 s ALA 113 N 0.84 -1.61 1.04 3.71 0.00 -0.73 -1.38 121.76 123.64 3md7 s ALA 113 Ca -0.10 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3md7 s ALA 113 Cb -0.15 -0.10 0.21 0.00 0.00 0.00 0.00 23.12 23.07 3md7 s ALA 113 CO 0.01 -0.35 1.12 0.54 0.00 0.00 0.00 175.76 177.09 3md7 s ASN 114 N -1.05 2.30 0.16 0.00 2.20 -1.25 -2.02 114.94 115.29 3md7 s ASN 114 Ca -0.10 0.90 -0.16 0.00 -0.94 0.00 0.00 52.86 52.56 3md7 s ASN 114 Cb -0.01 -1.38 0.03 0.00 -2.00 0.00 0.00 41.25 37.89 3md7 s ASN 114 CO 0.08 -3.30 1.81 -0.09 -2.94 0.00 0.00 177.10 172.67 3md7 h ARG 115 N -2.01 0.54 -0.34 3.55 2.43 -1.98 0.39 114.38 116.96 3md7 h ARG 115 Ca -0.50 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.69 3md7 h ARG 115 Cb 1.32 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 3md7 h ARG 115 CO 0.51 0.36 0.03 1.25 -1.51 0.00 0.00 179.97 180.61 3md7 h LEU 116 N 0.56 -0.06 -0.16 3.80 5.85 -1.97 -0.21 115.31 123.12 3md7 h LEU 116 Ca 0.16 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3md7 h LEU 116 Cb -0.04 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3md7 h LEU 116 CO -0.05 0.00 -0.03 0.74 -0.34 0.00 0.00 178.44 178.76 3md7 h THR 117 N 0.14 1.28 -0.59 1.05 2.02 -1.85 -2.77 112.91 112.19 3md7 h THR 117 Ca 0.16 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.40 3md7 h THR 117 Cb 0.20 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 3md7 h THR 117 CO -0.24 0.29 0.36 -0.09 0.37 0.00 0.00 175.52 176.20 3md7 h ARG 118 N 0.01 0.68 -0.25 6.66 2.43 -0.75 0.14 114.38 123.30 3md7 h ARG 118 Ca 0.04 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3md7 h ARG 118 Cb 0.45 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3md7 h ARG 118 CO 0.01 0.45 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.70 3md7 h ASN 119 N 0.70 0.54 -0.42 -3.80 2.35 -1.02 0.13 115.58 114.06 3md7 h ASN 119 Ca 0.24 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3md7 h ASN 119 Cb 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3md7 h ASN 119 CO -0.11 0.82 -0.16 0.03 -1.65 0.00 0.00 177.43 176.37 3md7 h ARG 120 N 0.45 0.84 -0.93 0.81 -0.00 -1.16 -2.64 114.38 111.75 3md7 h ARG 120 Ca 0.06 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.98 59.18 3md7 h ARG 120 Cb 0.77 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.66 3md7 h ARG 120 CO 0.06 0.98 0.57 -0.07 0.00 0.00 0.00 179.97 181.51 3md7 h LEU 121 N 0.66 1.11 -1.39 3.04 3.38 -0.49 -1.33 115.31 120.30 3md7 h LEU 121 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3md7 h LEU 121 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3md7 h LEU 121 CO 0.05 0.85 0.06 1.88 0.09 0.00 0.00 178.44 181.37 3md7 h TYR 122 N 1.28 0.47 -0.26 1.13 0.05 -0.90 0.96 116.97 119.71 3md7 h TYR 122 Ca 0.33 -0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.93 3md7 h TYR 122 Cb -0.07 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.53 3md7 h TYR 122 CO 0.00 0.43 -0.45 -0.44 -1.05 0.00 0.00 178.16 176.65 3md7 h ASP 123 N 0.46 0.84 0.22 3.88 3.32 -1.00 -2.77 116.42 121.37 3md7 h ASP 123 Ca 0.11 -0.53 -0.24 0.00 0.02 0.00 0.00 57.03 56.38 3md7 h ASP 123 Cb 0.21 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3md7 h ASP 123 CO -0.00 1.21 -2.00 0.35 -1.72 0.00 0.00 179.24 177.08 3md7 n THR 124 N -4.14 1.10 -2.43 0.35 -2.24 -0.57 -4.49 114.28 101.86 3md7 n THR 124 Ca -0.05 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 3md7 n THR 124 Cb 0.57 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.34 3md7 n THR 124 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3md7 n PHE 125 N -2.72 1.89 -0.17 4.78 3.72 0.33 -4.89 117.46 120.39 3md7 n PHE 125 Ca -0.20 -2.13 0.09 0.00 -0.05 0.00 0.00 57.45 55.16 3md7 n PHE 125 Cb 0.96 -0.28 0.40 0.00 -0.94 0.00 0.00 39.48 39.62 3md7 n PHE 125 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3md7 h GLY 126 N 2.35 0.90 2.00 1.37 0.00 -1.54 0.27 103.07 108.41 3md7 h GLY 126 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3md7 h GLY 126 CO 0.44 0.16 0.00 0.10 0.00 0.00 0.00 176.54 177.24 3md7 h TYR 127 N 0.64 0.00 0.00 5.60 -0.00 -1.88 0.62 116.97 121.95 3md7 h TYR 127 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.06 3md7 h TYR 127 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 3md7 h TYR 127 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 3md7 n PHE 129 N -2.55 0.00 -3.72 0.00 3.72 0.11 -0.76 117.46 114.26 3md7 n PHE 129 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 3md7 n PHE 129 Cb 0.39 -0.63 -0.11 0.00 -0.94 0.00 0.00 39.48 38.19 3md7 n PHE 129 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3md7 s GLU 130 N -2.32 0.36 0.02 -1.08 2.12 -0.63 -4.74 118.70 112.43 3md7 s GLU 130 Ca -0.13 0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 3md7 s GLU 130 Cb 0.05 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.41 3md7 s GLU 130 CO 0.46 -0.12 1.48 0.99 -0.54 0.00 0.00 175.26 177.53 3md7 s THR 131 N 0.92 3.50 0.78 -1.70 2.01 -1.26 -3.96 115.64 115.93 3md7 s THR 131 Ca -0.06 0.91 -0.12 0.00 0.31 0.00 0.00 61.69 62.73 3md7 s THR 131 Cb -0.07 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.92 3md7 s THR 131 CO -0.07 -0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 172.84 3md7 s PRO 132 N 2.44 2.22 0.21 4.92 0.04 -1.26 -4.97 135.00 138.61 3md7 s PRO 132 Ca 0.67 0.28 -0.32 0.00 0.04 0.00 0.00 61.00 61.66 3md7 s PRO 132 Cb -0.34 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.09 3md7 s PRO 132 CO 0.28 -1.45 1.38 0.28 0.04 0.00 0.00 177.00 177.53 3md7 n VAL 133 N -3.25 0.78 -0.75 -0.36 0.31 -1.26 -2.13 118.33 111.67 3md7 n VAL 133 Ca 0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3md7 n VAL 133 Cb 0.59 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 3md7 n VAL 133 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3md7 n GLY 134 N 2.30 0.75 3.42 2.92 0.00 -1.26 -5.04 105.19 108.28 3md7 n GLY 134 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3md7 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3md7 s SER 135 N -2.48 3.36 0.00 1.61 0.15 -0.90 -5.03 113.70 110.41 3md7 s SER 135 Ca 0.00 -0.90 0.05 0.00 0.70 0.00 0.00 55.95 55.80 3md7 s SER 135 Cb 0.00 -0.25 0.14 0.00 -1.71 0.00 0.00 66.02 64.20 3md7 s SER 135 CO 0.00 0.08 1.09 -1.20 1.20 0.00 0.00 173.24 174.41 3md7 n SER 136 N 0.07 2.38 -4.65 5.45 7.64 -1.26 -4.81 113.62 118.44 3md7 n SER 136 Ca -0.11 -1.95 -0.43 0.00 1.01 0.00 0.00 58.87 57.39 3md7 n SER 136 Cb 0.57 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 3md7 n SER 136 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3md7 s TYR 137 N -0.96 2.90 0.73 1.43 2.02 -1.26 -5.01 117.35 117.20 3md7 s TYR 137 Ca 0.11 1.05 -0.14 0.00 -0.37 0.00 0.00 57.07 57.72 3md7 s TYR 137 Cb 0.06 -3.59 0.04 0.00 -0.40 0.00 0.00 41.96 38.07 3md7 s TYR 137 CO 0.08 -1.45 1.18 -2.14 -1.57 0.00 0.00 175.55 171.65 3md7 s PRO 138 N 3.65 2.15 0.91 -1.71 0.02 -1.26 -4.51 135.00 134.25 3md7 s PRO 138 Ca 0.53 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 3md7 s PRO 138 Cb -0.19 -1.84 0.14 0.00 0.02 0.00 0.00 34.50 32.63 3md7 s PRO 138 CO 0.16 -1.81 1.11 -1.25 -0.33 0.00 0.00 177.00 174.88 3md7 s PRO 139 N -4.02 1.14 0.00 5.54 0.04 -1.26 -4.93 135.00 131.51 3md7 s PRO 139 Ca 0.72 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3md7 s PRO 139 Cb -0.27 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3md7 s PRO 139 CO 0.46 -2.44 0.00 0.44 0.04 0.00 0.00 177.00 175.50 3md7 n ILE 140 N -4.07 0.00 -4.58 0.56 -5.35 0.06 -4.98 119.36 100.99 3md7 n ILE 140 Ca 0.09 -0.33 -0.30 0.00 -0.27 0.00 0.00 62.75 61.94 3md7 n ILE 140 Cb 0.53 0.90 -0.13 0.00 -1.74 0.00 0.00 39.64 39.20 3md7 n ILE 140 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3md7 s LEU 141 N -1.73 2.40 -0.20 7.28 1.43 -0.65 -0.80 118.68 126.40 3md7 s LEU 141 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3md7 s LEU 141 Cb 0.00 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3md7 s LEU 141 CO 0.00 0.22 -0.15 -0.55 0.23 0.00 0.00 176.35 176.10 3md7 s SER 142 N -1.71 3.49 0.06 2.29 0.15 0.16 -4.75 113.70 113.39 3md7 s SER 142 Ca 0.14 -0.89 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 3md7 s SER 142 Cb -0.10 -1.41 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 3md7 s SER 142 CO 0.05 -0.09 0.60 -0.32 1.20 0.00 0.00 173.24 174.68 3md7 s MET 143 N 1.29 4.27 -0.03 5.44 1.75 -1.26 -0.94 119.30 129.82 3md7 s MET 143 Ca -0.00 0.77 0.03 0.00 -1.25 0.00 0.00 55.69 55.24 3md7 s MET 143 Cb -0.16 -3.27 -0.00 0.00 2.84 0.00 0.00 34.83 34.24 3md7 s MET 143 CO -0.10 0.55 -0.12 -1.01 -0.65 0.00 0.00 175.02 173.69 3md7 s HIS 144 N -0.83 1.21 0.27 4.11 3.76 0.44 -4.93 115.29 119.33 3md7 s HIS 144 Ca 0.30 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.61 3md7 s HIS 144 Cb -0.19 -0.83 -0.09 0.00 1.11 0.00 0.00 32.58 32.57 3md7 s HIS 144 CO 0.19 -0.11 1.01 0.34 -0.85 0.00 0.00 174.74 175.32 3md7 s ASP 145 N 0.09 7.41 0.12 1.40 2.15 -1.26 -1.77 116.67 124.81 3md7 s ASP 145 Ca -0.02 2.08 0.05 0.00 0.43 0.00 0.00 52.55 55.08 3md7 s ASP 145 Cb -0.09 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 3md7 s ASP 145 CO 0.01 -0.02 -0.12 0.27 -0.17 0.00 0.00 175.17 175.14 3md7 s ILE 146 N -1.24 1.18 -0.03 4.11 -4.36 -0.86 -4.83 121.20 115.18 3md7 s ILE 146 Ca 0.44 -1.78 -0.19 0.00 -0.26 0.00 0.00 60.65 58.86 3md7 s ILE 146 Cb -0.28 -1.56 0.04 0.00 1.25 0.00 0.00 42.46 41.91 3md7 s ILE 146 CO 0.35 -0.54 0.41 0.00 0.24 0.00 0.00 174.94 175.40 3md7 s ALA 147 N -2.52 -1.05 0.34 2.27 0.00 -1.26 -3.76 121.76 115.78 3md7 s ALA 147 Ca 0.10 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3md7 s ALA 147 Cb -0.02 0.05 -0.13 0.00 0.00 0.00 0.00 23.12 23.01 3md7 s ALA 147 CO 0.02 -0.29 0.94 -2.30 0.00 0.00 0.00 175.76 174.13 3md7 n PRO 148 N 1.20 1.22 -1.21 0.00 -0.02 -1.26 -2.41 135.00 132.52 3md7 n PRO 148 Ca -0.21 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 61.63 3md7 n PRO 148 Cb 0.56 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 3md7 n PRO 148 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3md7 n GLU 149 N 0.54 -0.91 -3.99 -0.52 1.02 0.10 -4.93 120.64 111.94 3md7 n GLU 149 Ca 0.10 0.66 -0.31 0.00 -0.02 0.00 0.00 57.16 57.59 3md7 n GLU 149 Cb 0.35 -4.59 -0.15 0.00 -0.02 0.00 0.00 31.44 27.03 3md7 n GLU 149 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3md7 s THR 150 N -2.05 2.06 0.65 2.62 2.01 -1.01 -5.01 115.64 114.90 3md7 s THR 150 Ca 0.00 -2.09 -0.17 0.00 0.31 0.00 0.00 61.69 59.73 3md7 s THR 150 Cb 0.00 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 3md7 s THR 150 CO 0.00 -0.51 1.21 -2.84 -0.69 0.00 0.00 174.62 171.79 3md7 s PRO 151 N 1.03 2.65 0.03 4.92 0.02 -1.26 -4.48 135.00 137.91 3md7 s PRO 151 Ca 0.07 1.81 -0.03 0.00 0.02 0.00 0.00 61.00 62.87 3md7 s PRO 151 Cb -0.19 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3md7 s PRO 151 CO -0.10 -1.45 0.04 -0.59 -0.33 0.00 0.00 177.00 174.57 3md7 s PHE 152 N -1.73 0.25 0.01 6.54 -0.12 -0.36 -5.00 117.98 117.56 3md7 s PHE 152 Ca 0.77 -0.56 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 3md7 s PHE 152 Cb -0.30 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 3md7 s PHE 152 CO 0.38 -0.30 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.92 3md7 s SER 153 N -1.93 2.61 -0.17 1.98 0.01 -1.26 -0.41 113.70 114.53 3md7 s SER 153 Ca -0.08 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 3md7 s SER 153 Cb -0.04 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 3md7 s SER 153 CO -0.03 0.24 -0.07 -0.63 0.41 0.00 0.00 173.24 173.15 3md7 s ILE 154 N -0.63 3.41 0.34 1.44 1.01 -0.23 -4.93 121.20 121.60 3md7 s ILE 154 Ca 0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 3md7 s ILE 154 Cb -0.09 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 3md7 s ILE 154 CO 0.00 0.48 0.67 -1.61 0.00 0.00 0.00 174.94 174.48 3md7 s GLU 155 N 0.80 3.76 -0.00 2.79 0.41 -1.26 -0.70 118.70 124.49 3md7 s GLU 155 Ca -0.02 0.31 -0.00 0.00 -0.41 0.00 0.00 54.97 54.85 3md7 s GLU 155 Cb -0.15 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3md7 s GLU 155 CO 0.01 0.11 0.01 0.41 -0.49 0.00 0.00 175.26 175.31 3md7 n GLY 156 N -0.94 0.62 0.22 -1.39 0.00 -1.25 -4.96 105.19 97.49 3md7 n GLY 156 Ca 0.01 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.26 3md7 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3md7 h ALA 157 N 2.00 1.54 -0.15 4.61 0.00 -1.93 -1.32 119.26 124.01 3md7 h ALA 157 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3md7 h ALA 157 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3md7 h ALA 157 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3md7 n GLY 158 N -0.81 0.14 0.00 0.00 0.00 -1.22 -4.55 105.19 98.75 3md7 n GLY 158 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3md7 n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3md7 n GLY 159 N 1.08 0.65 3.77 -0.02 0.00 -0.50 -4.10 105.19 106.07 3md7 n GLY 159 Ca 0.16 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 3md7 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3md7 s ALA 160 N -1.85 3.13 -0.23 4.61 0.00 -1.26 -3.85 121.76 122.32 3md7 s ALA 160 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 3md7 s ALA 160 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3md7 s ALA 160 CO 0.00 -0.49 -0.06 0.42 0.00 0.00 0.00 175.76 175.62 3md7 s ILE 161 N -1.45 3.09 -0.26 0.00 1.01 0.12 -4.95 121.20 118.76 3md7 s ILE 161 Ca 0.58 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 3md7 s ILE 161 Cb -0.29 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3md7 s ILE 161 CO 0.37 0.37 0.36 -0.60 0.00 0.00 0.00 174.94 175.44 3md7 s ARG 162 N 1.42 4.03 -0.10 2.79 3.52 -1.26 -1.07 118.95 128.27 3md7 s ARG 162 Ca 0.04 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.63 3md7 s ARG 162 Cb -0.15 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3md7 s ARG 162 CO -0.05 -0.25 0.06 -0.06 -0.81 0.00 0.00 175.30 174.20 3md7 s PHE 163 N 1.98 3.35 -0.42 5.12 0.40 0.45 -4.28 117.98 124.58 3md7 s PHE 163 Ca 0.15 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.84 3md7 s PHE 163 Cb -0.16 -1.86 0.12 0.00 0.51 0.00 0.00 43.02 41.63 3md7 s PHE 163 CO 0.10 0.58 0.17 -1.21 0.70 0.00 0.00 175.22 175.56 3md7 s GLU 164 N -0.94 1.80 0.55 0.44 2.02 0.10 -1.22 118.70 121.45 3md7 s GLU 164 Ca 0.14 -2.12 -0.16 0.00 0.02 0.00 0.00 54.97 52.85 3md7 s GLU 164 Cb -0.12 -3.35 -0.06 0.00 0.10 0.00 0.00 34.13 30.70 3md7 s GLU 164 CO 0.03 -1.03 1.01 -1.25 0.02 0.00 0.00 175.26 174.05 3md7 s PRO 165 N 0.54 3.69 0.12 0.39 0.04 -1.26 -1.21 135.00 137.32 3md7 s PRO 165 Ca 0.13 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 3md7 s PRO 165 Cb -0.22 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3md7 s PRO 165 CO -0.05 -0.49 0.45 -0.59 0.04 0.00 0.00 177.00 176.36 3md7 s PHE 166 N -2.63 -0.29 0.29 0.56 -0.12 -0.31 -0.72 117.98 114.75 3md7 s PHE 166 Ca 0.60 0.05 -0.29 0.00 -0.05 0.00 0.00 56.93 57.24 3md7 s PHE 166 Cb -0.12 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.49 3md7 s PHE 166 CO 0.36 -0.71 1.07 -1.12 -0.05 0.00 0.00 175.22 174.77 3md7 s SER 167 N -2.64 7.27 0.03 1.98 0.01 -1.26 -1.23 113.70 117.85 3md7 s SER 167 Ca 0.01 2.21 0.04 0.00 1.31 0.00 0.00 55.95 59.52 3md7 s SER 167 Cb 0.01 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 3md7 s SER 167 CO -0.10 -0.14 -0.13 -1.10 0.41 0.00 0.00 173.24 172.18 3md7 s GLN 168 N -1.51 0.91 0.02 12.44 -0.21 0.21 -4.43 119.66 127.08 3md7 s GLN 168 Ca 0.45 -0.69 -0.26 0.00 0.02 0.00 0.00 55.36 54.88 3md7 s GLN 168 Cb -0.30 -0.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.76 3md7 s GLN 168 CO 0.39 0.23 0.83 0.08 -2.12 0.00 0.00 175.29 174.69 3md7 s VAL 169 N -0.76 4.79 -0.52 1.09 1.01 -0.51 -1.49 120.40 124.01 3md7 s VAL 169 Ca 0.01 1.75 0.06 0.00 0.00 0.00 0.00 61.98 63.81 3md7 s VAL 169 Cb -0.07 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.34 3md7 s VAL 169 CO 0.01 0.29 0.53 1.57 0.00 0.00 0.00 175.10 177.49 3md7 n HIS 170 N 3.25 1.23 0.00 5.22 -0.00 0.33 0.06 115.22 125.31 3md7 n HIS 170 Ca 0.00 -3.80 0.00 0.00 0.46 0.00 0.00 57.72 54.38 3md7 n HIS 170 Cb 0.50 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.07 3md7 n HIS 170 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3md7 n GLY 171 N 1.74 3.40 0.07 1.57 0.00 -1.24 -2.03 105.19 108.71 3md7 n GLY 171 Ca 0.25 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.55 3md7 n GLY 171 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3md7 n ASP 172 N 9.71 0.33 -4.23 1.61 5.68 -1.26 -4.91 116.55 123.47 3md7 n ASP 172 Ca 0.00 -0.33 -0.20 0.00 -0.50 0.00 0.00 54.79 53.77 3md7 n ASP 172 Cb 0.00 -0.14 -0.10 0.00 -1.14 0.00 0.00 41.12 39.75 3md7 n ASP 172 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3md7 s ILE 173 N -2.61 0.66 -0.03 2.12 -4.36 -0.86 -5.15 121.20 110.97 3md7 s ILE 173 Ca 0.25 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.51 3md7 s ILE 173 Cb 0.20 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 3md7 s ILE 173 CO 0.50 0.00 0.36 -0.70 0.24 0.00 0.00 174.94 175.34 3md7 s GLU 174 N -3.89 3.86 0.31 0.37 2.12 -1.26 -0.52 118.70 119.69 3md7 s GLU 174 Ca 0.35 0.31 0.11 0.00 0.36 0.00 0.00 54.97 56.09 3md7 s GLU 174 Cb 0.06 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.17 3md7 s GLU 174 CO 0.15 0.67 -0.15 -1.54 -0.54 0.00 0.00 175.26 173.85 3md7 s SER 175 N -0.94 3.67 -0.11 -1.70 1.04 -0.56 -4.87 113.70 110.23 3md7 s SER 175 Ca 0.22 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.47 3md7 s SER 175 Cb -0.16 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 3md7 s SER 175 CO 0.11 -0.07 0.18 -0.76 0.98 0.00 0.00 173.24 173.68 3md7 s LEU 176 N -3.56 4.38 0.32 2.42 1.43 -0.50 -0.62 118.68 122.55 3md7 s LEU 176 Ca 0.31 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3md7 s LEU 176 Cb -0.02 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3md7 s LEU 176 CO 0.16 0.37 0.27 -0.83 0.23 0.00 0.00 176.35 176.54 3md7 s GLY 177 N -0.86 1.71 -0.00 -3.19 0.00 -0.37 -4.72 107.32 99.90 3md7 s GLY 177 Ca 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3md7 s GLY 177 CO 0.05 -1.56 -0.01 -1.36 0.00 0.00 0.00 173.10 170.22 3md7 s PHE 178 N -2.28 0.08 -0.16 1.90 0.08 -0.75 -1.17 117.98 115.68 3md7 s PHE 178 Ca 0.39 -0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.38 3md7 s PHE 178 Cb -0.06 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 3md7 s PHE 178 CO 0.26 -0.01 0.03 0.50 -0.10 0.00 0.00 175.22 175.90 3md7 s ARG 179 N 0.08 3.72 -0.34 0.44 3.52 -0.35 -0.52 118.95 125.50 3md7 s ARG 179 Ca -0.01 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3md7 s ARG 179 Cb -0.01 -3.08 0.10 0.00 -1.56 0.00 0.00 34.95 30.40 3md7 s ARG 179 CO -0.00 0.37 0.11 0.42 -0.81 0.00 0.00 175.30 175.38 3md7 s ILE 180 N 0.08 1.29 0.00 4.11 1.09 0.42 -0.72 121.20 127.46 3md7 s ILE 180 Ca 0.04 -1.78 0.00 0.00 -1.10 0.00 0.00 60.65 57.80 3md7 s ILE 180 Cb -0.13 -1.96 0.00 0.00 -1.06 0.00 0.00 42.46 39.32 3md7 s ILE 180 CO 0.01 -0.69 0.00 0.61 -0.10 0.00 0.00 174.94 174.78 3md7 n GLY 181 N 4.53 2.45 0.75 6.18 0.00 -1.26 -2.05 105.19 115.79 3md7 n GLY 181 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3md7 n GLY 181 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3md7 n SER 182 N 10.07 3.41 -4.47 1.61 3.41 -1.26 -4.96 113.62 121.44 3md7 n SER 182 Ca 0.00 -2.57 -0.33 0.00 -0.26 0.00 0.00 58.87 55.70 3md7 n SER 182 Cb 0.00 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.42 3md7 n SER 182 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3md7 s VAL 183 N -2.03 3.54 -0.05 -3.33 1.01 -0.87 -0.49 120.40 118.19 3md7 s VAL 183 Ca 0.33 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3md7 s VAL 183 Cb 0.24 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3md7 s VAL 183 CO 0.11 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.84 3md7 s VAL 184 N 0.10 1.73 -0.23 2.92 1.01 -0.32 -0.44 120.40 125.17 3md7 s VAL 184 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3md7 s VAL 184 Cb -0.14 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.82 3md7 s VAL 184 CO 0.04 0.49 -0.13 -0.47 0.00 0.00 0.00 175.10 175.02 3md7 s TYR 185 N -0.10 2.96 -0.54 5.22 5.04 0.32 -0.40 117.35 129.86 3md7 s TYR 185 Ca -0.03 -2.00 0.04 0.00 -2.44 0.00 0.00 57.07 52.64 3md7 s TYR 185 Cb -0.12 -1.86 0.16 0.00 0.35 0.00 0.00 41.96 40.49 3md7 s TYR 185 CO 0.03 -0.83 0.37 0.00 -1.34 0.00 0.00 175.55 173.78 3md7 s THR 187 N -0.47 4.58 -1.05 0.00 -1.32 -1.26 -0.58 115.64 115.54 3md7 s THR 187 Ca 0.26 -1.12 -0.08 0.00 -1.21 0.00 0.00 61.69 59.54 3md7 s THR 187 Cb -0.07 -3.38 -0.06 0.00 -1.51 0.00 0.00 72.50 67.49 3md7 s THR 187 CO -0.13 -0.17 0.89 0.47 -2.21 0.00 0.00 174.62 173.46 3md7 n ASP 188 N -0.60 -6.50 -3.75 8.08 9.92 -1.26 -4.88 116.55 117.56 3md7 n ASP 188 Ca -0.08 -0.73 -0.15 0.00 -0.53 0.00 0.00 54.79 53.30 3md7 n ASP 188 Cb 0.55 -4.90 -0.16 0.00 -0.64 0.00 0.00 41.12 35.98 3md7 n ASP 188 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3md7 s VAL 189 N -3.38 -0.06 -0.30 2.53 0.11 -1.25 -4.43 120.40 113.61 3md7 s VAL 189 Ca 0.44 0.22 0.11 0.00 -2.93 0.00 0.00 61.98 59.82 3md7 s VAL 189 Cb -0.07 -0.15 -0.14 0.00 -1.53 0.00 0.00 36.38 34.48 3md7 s VAL 189 CO 0.76 0.09 0.37 -1.54 -3.33 0.00 0.00 175.10 171.45 3md7 n SER 190 N 4.29 1.34 -3.54 3.54 3.41 0.11 -1.82 113.62 120.94 3md7 n SER 190 Ca -0.26 -0.43 -0.15 0.00 -0.26 0.00 0.00 58.87 57.77 3md7 n SER 190 Cb 0.51 1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 65.62 3md7 n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3md7 s ALA 191 N -2.35 -1.83 -0.23 7.33 0.00 -1.14 -4.72 121.76 118.81 3md7 s ALA 191 Ca 0.01 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 3md7 s ALA 191 Cb 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3md7 s ALA 191 CO 0.46 -0.35 0.06 -0.06 0.00 0.00 0.00 175.76 175.87 3md7 s PHE 192 N -1.12 3.09 0.63 0.00 0.08 -1.26 -1.42 117.98 117.97 3md7 s PHE 192 Ca -0.07 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.41 3md7 s PHE 192 Cb -0.00 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3md7 s PHE 192 CO 0.07 -0.29 1.25 -2.14 -0.10 0.00 0.00 175.22 174.01 3md7 s PRO 193 N 1.38 2.71 0.29 0.24 0.02 -1.26 -4.93 135.00 133.45 3md7 s PRO 193 Ca 0.05 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3md7 s PRO 193 Cb -0.15 -1.88 0.60 0.00 0.02 0.00 0.00 34.50 33.09 3md7 s PRO 193 CO 0.03 -1.44 1.81 1.05 -0.33 0.00 0.00 177.00 178.13 3md7 h GLU 194 N 0.65 0.88 0.00 5.54 9.09 -1.98 -1.32 114.58 127.43 3md7 h GLU 194 Ca -0.51 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.85 3md7 h GLU 194 Cb 1.32 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3md7 h GLU 194 CO 0.54 0.58 0.00 0.00 0.05 0.00 0.00 179.01 180.18 3md7 n GLN 195 N -4.68 0.20 0.05 1.06 0.00 -1.26 -2.41 117.38 110.34 3md7 n GLN 195 Ca 0.20 0.42 0.13 0.00 0.00 0.00 0.00 57.00 57.74 3md7 n GLN 195 Cb 0.42 -1.88 0.31 0.00 0.00 0.00 0.00 30.24 29.09 3md7 n GLN 195 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3md7 n SER 196 N -2.26 0.59 -0.00 2.61 7.64 -0.50 -4.36 113.62 117.34 3md7 n SER 196 Ca 0.02 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3md7 n SER 196 Cb 0.24 -0.15 0.31 0.00 -1.01 0.00 0.00 64.21 63.59 3md7 n SER 196 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3md7 h LEU 197 N 0.00 0.50 -2.20 -3.43 3.38 -1.54 -1.81 115.31 110.21 3md7 h LEU 197 Ca 0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3md7 h LEU 197 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3md7 h LEU 197 CO 0.00 0.54 0.17 0.06 0.09 0.00 0.00 178.44 179.30 3md7 h GLN 198 N 0.52 0.00 0.00 1.13 3.07 -1.81 -1.80 115.11 116.22 3md7 h GLN 198 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.79 3md7 h GLN 198 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 3md7 h GLN 198 CO 0.01 0.00 -0.58 1.88 0.09 0.00 0.00 178.83 180.23 3md7 h TYR 199 N 0.00 0.00 0.00 0.06 -1.99 -1.63 -3.37 116.97 110.04 3md7 h TYR 199 Ca 0.08 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 3md7 h TYR 199 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 3md7 h TYR 199 CO 0.00 0.26 -1.85 0.44 -0.00 0.00 0.00 178.16 177.02 3md7 n ILE 200 N -3.03 0.21 -2.36 -2.88 -5.35 -0.75 -4.78 119.36 100.42 3md7 n ILE 200 Ca 0.00 -0.45 -0.33 0.00 -0.27 0.00 0.00 62.75 61.70 3md7 n ILE 200 Cb 0.65 -0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 3md7 n ILE 200 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3md7 s LYS 201 N -3.04 3.65 -1.48 6.28 -2.85 -0.79 -4.07 119.74 117.45 3md7 s LYS 201 Ca -0.07 1.25 -0.07 0.00 -1.00 0.00 0.00 55.97 56.09 3md7 s LYS 201 Cb 0.10 -2.08 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 3md7 s LYS 201 CO 0.70 -0.54 0.77 -0.25 0.10 0.00 0.00 175.35 176.13 3md7 n ASP 202 N -1.40 -5.73 -4.80 0.03 8.00 -0.81 -4.97 116.55 106.86 3md7 n ASP 202 Ca 0.09 -0.41 -0.35 0.00 0.71 0.00 0.00 54.79 54.83 3md7 n ASP 202 Cb 0.53 -4.61 -0.05 0.00 -0.02 0.00 0.00 41.12 36.97 3md7 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3md7 s ALA 203 N -3.19 3.03 0.11 2.24 0.00 -1.26 -4.91 121.76 117.78 3md7 s ALA 203 Ca 0.42 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 3md7 s ALA 203 Cb -0.20 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3md7 s ALA 203 CO 0.52 -0.10 1.52 -0.44 0.00 0.00 0.00 175.76 177.26 3md7 h ASP 204 N 2.17 0.65 -3.33 0.00 3.32 -1.13 -0.51 116.42 117.60 3md7 h ASP 204 Ca -0.49 -0.35 -0.41 0.00 0.02 0.00 0.00 57.03 55.80 3md7 h ASP 204 Cb 1.20 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.21 3md7 h ASP 204 CO 0.61 0.85 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.53 3md7 s VAL 205 N -4.84 0.33 -0.28 -1.35 1.01 -1.01 -1.77 120.40 112.50 3md7 s VAL 205 Ca -0.13 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3md7 s VAL 205 Cb 0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3md7 s VAL 205 CO 0.79 0.23 0.09 -0.22 0.00 0.00 0.00 175.10 175.99 3md7 s LEU 206 N 1.69 3.69 -0.37 3.92 2.96 -0.31 -1.18 118.68 129.09 3md7 s LEU 206 Ca 0.00 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.36 3md7 s LEU 206 Cb -0.13 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3md7 s LEU 206 CO -0.04 -0.12 0.24 -0.63 -1.32 0.00 0.00 176.35 174.49 3md7 s ILE 207 N 1.58 5.00 -0.03 6.68 1.01 0.47 -0.50 121.20 135.41 3md7 s ILE 207 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3md7 s ILE 207 Cb -0.16 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3md7 s ILE 207 CO 0.04 -0.17 -0.08 -0.51 0.00 0.00 0.00 174.94 174.22 3md7 s ILE 208 N 1.65 0.69 0.18 2.92 2.07 -0.36 -0.39 121.20 127.95 3md7 s ILE 208 Ca 0.04 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.68 3md7 s ILE 208 Cb -0.18 -0.62 -0.09 0.00 0.13 0.00 0.00 42.46 41.70 3md7 s ILE 208 CO 0.09 0.22 1.35 -0.83 -1.91 0.00 0.00 174.94 173.86 3md7 s GLY 209 N 0.26 2.30 -0.21 1.50 0.00 0.25 -1.18 107.32 110.24 3md7 s GLY 209 Ca -0.04 1.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 3md7 s GLY 209 CO 0.00 2.18 0.10 0.00 0.00 0.00 0.00 173.10 175.38 3md7 s ALA 210 N 0.37 0.54 -0.09 3.20 0.00 -0.32 -4.49 121.76 120.97 3md7 s ALA 210 Ca 0.59 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 3md7 s ALA 210 Cb -0.37 -1.15 -0.22 0.00 0.00 0.00 0.00 23.12 21.37 3md7 s ALA 210 CO 0.37 -1.31 0.95 1.25 0.00 0.00 0.00 175.76 177.02 3md7 h LEU 211 N 8.40 -0.02 0.00 0.00 5.85 -1.28 -3.33 115.31 124.92 3md7 h LEU 211 Ca -0.16 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 57.90 3md7 h LEU 211 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3md7 h LEU 211 CO 0.34 0.73 0.30 0.00 -0.34 0.00 0.00 178.44 179.47 3md7 n GLN 212 N -4.74 0.50 0.12 1.25 10.64 -1.26 -0.68 117.38 123.21 3md7 n GLN 212 Ca -0.09 -1.06 -0.23 0.00 -1.83 0.00 0.00 57.00 53.79 3md7 n GLN 212 Cb 0.36 1.39 -0.15 0.00 -0.86 0.00 0.00 30.24 30.98 3md7 n GLN 212 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 3md7 h TYR 213 N 1.61 0.83 -4.01 2.61 0.05 -1.95 -0.12 116.97 116.00 3md7 h TYR 213 Ca -0.18 -0.61 -0.47 0.00 0.05 0.00 0.00 58.73 57.52 3md7 h TYR 213 Cb 0.75 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.45 3md7 h TYR 213 CO 0.00 1.55 0.28 1.03 -1.05 0.00 0.00 178.16 179.98 3md7 s ARG 214 N -2.60 3.98 0.72 4.88 1.81 -1.26 -4.50 118.95 121.97 3md7 s ARG 214 Ca -0.10 0.85 -0.16 0.00 -1.72 0.00 0.00 55.73 54.60 3md7 s ARG 214 Cb 0.05 -2.23 0.02 0.00 -0.45 0.00 0.00 34.95 32.34 3md7 s ARG 214 CO 0.91 -0.12 1.14 -2.30 -0.68 0.00 0.00 175.30 174.25 3md7 n PRO 215 N -1.19 0.62 -3.82 3.54 -0.02 -1.26 -4.65 135.00 128.22 3md7 n PRO 215 Ca 0.05 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3md7 n PRO 215 Cb 0.54 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 3md7 n PRO 215 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3md7 s HIS 216 N -1.75 -0.14 0.34 6.00 2.46 -1.26 -5.04 115.29 115.90 3md7 s HIS 216 Ca 0.77 0.33 0.38 0.00 0.47 0.00 0.00 55.06 57.01 3md7 s HIS 216 Cb -0.34 0.04 1.80 0.00 -0.13 0.00 0.00 32.58 33.95 3md7 s HIS 216 CO 0.47 -0.18 2.15 -1.00 -2.47 0.00 0.00 174.74 173.71 3md7 h PRO 217 N 5.26 0.00 0.00 2.88 0.13 -2.01 -3.26 132.00 134.99 3md7 h PRO 217 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3md7 h PRO 217 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3md7 h PRO 217 CO 0.39 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.04 3md7 n SER 218 N -3.12 1.41 -3.88 1.44 3.41 -1.26 -3.60 113.62 108.02 3md7 n SER 218 Ca -0.01 -1.49 -0.11 0.00 -0.26 0.00 0.00 58.87 57.00 3md7 n SER 218 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 3md7 n SER 218 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3md7 s HIS 219 N -0.49 0.04 0.37 7.33 3.76 -1.23 -3.52 115.29 121.55 3md7 s HIS 219 Ca 0.00 -0.11 -0.28 0.00 -0.15 0.00 0.00 55.06 54.51 3md7 s HIS 219 Cb 0.00 -0.05 -0.11 0.00 1.11 0.00 0.00 32.58 33.53 3md7 s HIS 219 CO 0.00 -0.24 1.44 -0.06 -0.85 0.00 0.00 174.74 175.03 3md7 s PHE 220 N -1.18 2.70 0.89 1.40 0.08 -0.76 -4.15 117.98 116.97 3md7 s PHE 220 Ca -0.13 1.23 -0.12 0.00 0.12 0.00 0.00 56.93 58.04 3md7 s PHE 220 Cb -0.07 -3.94 0.13 0.00 -0.57 0.00 0.00 43.02 38.57 3md7 s PHE 220 CO 0.01 -2.71 1.10 -1.54 -0.10 0.00 0.00 175.22 171.98 3md7 s SER 221 N -0.23 3.53 0.20 1.36 1.04 -1.26 -1.18 113.70 117.16 3md7 s SER 221 Ca 0.52 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 3md7 s SER 221 Cb -0.45 -2.06 0.24 0.00 0.10 0.00 0.00 66.02 63.85 3md7 s SER 221 CO 0.61 -2.59 1.73 0.25 0.98 0.00 0.00 173.24 174.22 3md7 h LEU 222 N -1.52 0.12 -0.93 2.42 5.85 -1.24 -0.20 115.31 119.82 3md7 h LEU 222 Ca -0.50 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3md7 h LEU 222 Cb 1.29 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 3md7 h LEU 222 CO 0.56 0.08 0.22 1.23 -0.34 0.00 0.00 178.44 180.19 3md7 h GLY 223 N 0.33 1.07 1.04 3.75 0.00 -1.84 0.04 103.07 107.45 3md7 h GLY 223 Ca 0.28 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3md7 h GLY 223 CO -0.32 0.56 0.02 0.83 0.00 0.00 0.00 176.54 177.63 3md7 h GLU 224 N 0.96 0.95 -0.72 4.80 5.08 -1.79 -1.15 114.58 122.72 3md7 h GLU 224 Ca 0.22 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3md7 h GLU 224 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3md7 h GLU 224 CO -0.01 0.95 0.23 0.00 -1.00 0.00 0.00 179.01 179.18 3md7 h ALA 225 N 0.97 1.05 -0.61 3.43 0.00 -0.62 -1.92 119.26 121.56 3md7 h ALA 225 Ca 0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3md7 h ALA 225 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3md7 h ALA 225 CO 0.02 0.64 0.07 -0.07 0.00 0.00 0.00 179.25 179.92 3md7 h LEU 226 N 1.06 0.97 -0.43 0.00 3.38 -0.79 -0.14 115.31 119.37 3md7 h LEU 226 Ca 0.23 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3md7 h LEU 226 Cb 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3md7 h LEU 226 CO -0.01 0.99 0.26 -0.33 0.09 0.00 0.00 178.44 179.44 3md7 h GLU 227 N 0.94 0.52 -0.62 1.13 5.08 -0.88 -1.26 114.58 119.49 3md7 h GLU 227 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3md7 h GLU 227 Cb 0.45 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3md7 h GLU 227 CO 0.02 0.34 0.28 -1.49 -1.00 0.00 0.00 179.01 177.16 3md7 h TRP 228 N 0.53 0.90 -0.81 4.33 4.06 -0.97 -2.24 115.95 121.76 3md7 h TRP 228 Ca 0.17 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.11 3md7 h TRP 228 Cb -0.02 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 27.81 3md7 h TRP 228 CO -0.06 0.70 0.50 0.82 -3.56 0.00 0.00 178.44 176.84 3md7 h ILE 229 N 0.85 1.08 -0.69 1.49 2.04 -0.74 0.38 117.51 121.92 3md7 h ILE 229 Ca 0.21 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3md7 h ILE 229 Cb 0.15 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3md7 h ILE 229 CO -0.02 0.18 0.39 -0.33 0.00 0.00 0.00 178.15 178.36 3md7 h GLU 230 N 0.96 0.95 -0.15 2.37 5.08 -0.96 -1.92 114.58 120.91 3md7 h GLU 230 Ca 0.33 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 3md7 h GLU 230 Cb 0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3md7 h GLU 230 CO -0.14 0.71 -0.52 0.87 -1.00 0.00 0.00 179.01 178.93 3md7 h LYS 231 N 0.94 0.42 -0.00 2.33 1.57 -0.79 -3.31 116.57 117.73 3md7 h LYS 231 Ca 0.24 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3md7 h LYS 231 Cb 0.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3md7 h LYS 231 CO -0.04 0.84 -0.60 1.28 -0.57 0.00 0.00 179.45 180.36 3md7 n LEU 232 N -3.95 0.81 -4.11 2.94 4.77 0.06 -5.00 117.00 112.52 3md7 n LEU 232 Ca -0.02 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 3md7 n LEU 232 Cb 0.58 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3md7 n LEU 232 CO 0.45 0.19 -0.34 -1.20 -1.33 0.00 0.00 177.39 175.16 3md7 n SER 233 N -1.28 0.08 -4.76 -1.43 7.64 -0.74 -1.93 113.62 111.21 3md7 n SER 233 Ca 0.06 -1.13 -0.35 0.00 1.01 0.00 0.00 58.87 58.45 3md7 n SER 233 Cb 0.34 -2.38 0.03 0.00 -1.01 0.00 0.00 64.21 61.19 3md7 n SER 233 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3md7 s PRO 234 N -6.93 3.04 0.22 1.43 0.04 -1.26 -4.41 135.00 127.12 3md7 s PRO 234 Ca 0.02 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 3md7 s PRO 234 Cb -0.01 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.76 3md7 s PRO 234 CO 0.94 -1.12 1.71 0.87 0.04 0.00 0.00 177.00 179.44 3md7 h LYS 235 N 0.85 1.01 -3.94 4.56 1.79 -1.13 -3.44 116.57 116.28 3md7 h LYS 235 Ca -0.50 -0.27 -0.22 0.00 -2.18 0.00 0.00 60.65 57.48 3md7 h LYS 235 Cb 1.28 -0.12 -0.25 0.00 -1.58 0.00 0.00 32.23 31.57 3md7 h LYS 235 CO 0.55 0.95 -0.72 1.03 -1.08 0.00 0.00 179.45 180.18 3md7 s ARG 236 N -5.13 0.20 0.02 3.15 1.81 -0.73 -4.84 118.95 113.43 3md7 s ARG 236 Ca -0.11 -0.30 0.07 0.00 -1.72 0.00 0.00 55.73 53.67 3md7 s ARG 236 Cb 0.14 -0.02 -0.02 0.00 -0.45 0.00 0.00 34.95 34.60 3md7 s ARG 236 CO 0.84 -0.00 -0.21 0.00 -0.68 0.00 0.00 175.30 175.25 3md7 s ALA 237 N -0.66 1.74 -0.10 2.13 0.00 0.00 -1.16 121.76 123.72 3md7 s ALA 237 Ca -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.93 3md7 s ALA 237 Cb -0.05 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3md7 s ALA 237 CO -0.00 0.41 -0.14 0.42 0.00 0.00 0.00 175.76 176.45 3md7 s ILE 238 N -0.65 1.38 0.10 0.00 1.01 0.34 -1.26 121.20 122.12 3md7 s ILE 238 Ca 0.08 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 3md7 s ILE 238 Cb -0.08 -1.27 -0.07 0.00 0.01 0.00 0.00 42.46 41.05 3md7 s ILE 238 CO 0.01 0.42 0.74 -0.76 0.00 0.00 0.00 174.94 175.35 3md7 s LEU 239 N 0.98 4.52 0.00 2.97 1.43 0.05 -1.23 118.68 127.41 3md7 s LEU 239 Ca -0.07 1.51 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 3md7 s LEU 239 Cb -0.15 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 3md7 s LEU 239 CO -0.01 0.13 0.19 1.07 0.23 0.00 0.00 176.35 177.97 3md7 n THR 240 N 2.14 0.00 -3.68 5.49 5.66 -0.32 -0.76 114.28 122.81 3md7 n THR 240 Ca -0.05 -2.31 -0.27 0.00 -3.05 0.00 0.00 64.05 58.38 3md7 n THR 240 Cb 0.50 0.95 0.05 0.00 -1.55 0.00 0.00 70.33 70.28 3md7 n THR 240 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3md7 n HIS 241 N -0.78 -2.55 -3.12 1.09 -0.00 -0.62 -1.18 115.22 108.07 3md7 n HIS 241 Ca -0.01 0.92 -0.40 0.00 -0.00 0.00 0.00 57.72 58.23 3md7 n HIS 241 Cb 0.59 -4.49 -0.06 0.00 -0.00 0.00 0.00 29.99 26.03 3md7 n HIS 241 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3md7 s MET 242 N -6.39 4.26 0.80 1.57 1.00 -0.17 -4.03 119.30 116.33 3md7 s MET 242 Ca 0.60 0.65 -0.06 0.00 0.00 0.00 0.00 55.69 56.88 3md7 s MET 242 Cb -0.28 -3.55 0.15 0.00 0.00 0.00 0.00 34.83 31.15 3md7 s MET 242 CO 0.74 -0.17 1.10 -1.58 0.00 0.00 0.00 175.02 175.11 3md7 s HIS 243 N 1.66 1.69 0.43 -0.03 5.65 0.15 -2.70 115.29 122.13 3md7 s HIS 243 Ca 0.30 -0.03 0.38 0.00 0.25 0.00 0.00 55.06 55.96 3md7 s HIS 243 Cb -0.16 -3.37 2.08 0.00 -1.18 0.00 0.00 32.58 29.94 3md7 s HIS 243 CO 0.11 -1.99 2.17 -0.39 -0.65 0.00 0.00 174.74 173.99 3md7 h VAL 244 N -0.89 0.00 0.00 0.89 -1.51 -1.87 -1.64 116.25 111.23 3md7 h VAL 244 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3md7 h VAL 244 Cb 1.26 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3md7 h VAL 244 CO 0.41 0.00 0.00 -0.65 -1.23 0.00 0.00 177.57 176.10 3md7 h PRO 245 N 0.00 0.00 -4.18 5.19 0.11 -1.86 -1.26 132.00 130.00 3md7 h PRO 245 Ca 0.00 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.36 3md7 h PRO 245 Cb 0.02 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 30.90 3md7 h PRO 245 CO 0.00 0.00 -0.24 -0.51 -0.21 0.00 0.00 178.00 177.04 3md7 s LEU 246 N -5.57 5.98 -0.01 2.35 1.43 -0.62 -4.60 118.68 117.64 3md7 s LEU 246 Ca 0.03 -1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 51.28 3md7 s LEU 246 Cb 0.09 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3md7 s LEU 246 CO 0.51 -0.80 0.69 -0.62 0.23 0.00 0.00 176.35 176.36 3md7 s ASP 247 N 3.27 7.05 0.14 2.29 2.15 -1.26 -4.80 116.67 125.51 3md7 s ASP 247 Ca 0.04 1.26 -0.26 0.00 0.43 0.00 0.00 52.55 54.02 3md7 s ASP 247 Cb -0.28 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 3md7 s ASP 247 CO 0.04 -0.01 1.61 0.22 -0.17 0.00 0.00 175.17 176.87 3md7 h TYR 248 N 6.08 -0.87 -0.82 -5.34 5.03 -1.94 -0.55 116.97 118.56 3md7 h TYR 248 Ca -0.43 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 60.90 3md7 h TYR 248 Cb 1.20 0.40 -0.04 0.00 1.55 0.00 0.00 36.73 39.84 3md7 h TYR 248 CO 0.65 -0.39 0.44 1.49 -1.32 0.00 0.00 178.16 179.03 3md7 h GLU 249 N -0.39 1.16 -0.10 1.82 4.57 -1.99 -0.71 114.58 118.94 3md7 h GLU 249 Ca 0.10 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3md7 h GLU 249 Cb 0.54 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3md7 h GLU 249 CO -0.36 0.86 0.03 1.15 -1.18 0.00 0.00 179.01 179.51 3md7 h THR 250 N 1.15 1.17 -0.39 0.32 2.02 -1.89 -2.28 112.91 113.01 3md7 h THR 250 Ca 0.29 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3md7 h THR 250 Cb 0.05 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3md7 h THR 250 CO -0.04 0.15 -0.20 0.58 0.37 0.00 0.00 175.52 176.37 3md7 h VAL 251 N -0.02 1.27 -0.55 3.16 2.07 -0.92 -2.04 116.25 119.21 3md7 h VAL 251 Ca 0.03 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 66.36 3md7 h VAL 251 Cb 0.21 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 3md7 h VAL 251 CO -0.00 0.43 0.05 0.24 0.02 0.00 0.00 177.57 178.31 3md7 h MET 252 N 0.66 0.16 -0.13 1.57 2.07 -0.95 -2.34 114.93 115.97 3md7 h MET 252 Ca 0.10 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.62 3md7 h MET 252 Cb 0.70 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.38 3md7 h MET 252 CO 0.05 0.11 -0.34 0.00 1.07 0.00 0.00 176.91 177.80 3md7 h ARG 253 N 0.17 0.26 -0.00 1.72 3.08 -0.91 -3.22 114.38 115.47 3md7 h ARG 253 Ca 0.28 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3md7 h ARG 253 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3md7 h ARG 253 CO -0.43 0.57 -0.06 0.39 -1.07 0.00 0.00 179.97 179.38 3md7 n GLU 254 N -4.08 0.55 -4.46 0.04 1.02 -0.81 -4.89 120.64 108.00 3md7 n GLU 254 Ca -0.01 -0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 56.78 3md7 n GLU 254 Cb 0.43 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 3md7 n GLU 254 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3md7 s THR 255 N -2.52 2.43 1.02 2.62 -4.23 -1.09 -5.07 115.64 108.81 3md7 s THR 255 Ca 0.29 -2.31 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 3md7 s THR 255 Cb 0.20 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.97 3md7 s THR 255 CO 0.47 -0.33 0.96 -2.65 -0.54 0.00 0.00 174.62 172.52 3md7 n PRO 256 N -0.40 -1.21 -0.25 3.99 -0.02 -1.26 -4.87 135.00 130.99 3md7 n PRO 256 Ca -0.07 -0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.16 3md7 n PRO 256 Cb 0.59 -2.21 0.30 0.00 -0.02 0.00 0.00 33.50 32.15 3md7 n PRO 256 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3md7 h HIS 257 N -2.16 0.91 -0.09 6.00 3.86 -1.99 -1.49 115.15 120.20 3md7 h HIS 257 Ca -0.50 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3md7 h HIS 257 Cb 1.30 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.47 3md7 h HIS 257 CO 0.39 0.47 0.00 -2.39 0.86 0.00 0.00 177.93 177.26 3md7 n HIS 258 N -4.49 0.12 -5.16 2.45 1.44 -1.26 -4.75 115.22 103.57 3md7 n HIS 258 Ca 0.12 -0.06 -0.32 0.00 -2.01 0.00 0.00 57.72 55.45 3md7 n HIS 258 Cb 0.22 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.16 3md7 n HIS 258 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3md7 s VAL 259 N -1.88 2.22 0.03 0.61 1.01 -0.56 -0.82 120.40 121.00 3md7 s VAL 259 Ca 0.27 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3md7 s VAL 259 Cb 0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3md7 s VAL 259 CO 0.22 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.21 3md7 s GLU 260 N 0.20 0.39 0.43 2.72 2.02 -0.39 -4.59 118.70 119.49 3md7 s GLU 260 Ca -0.14 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 54.00 3md7 s GLU 260 Cb -0.17 -0.12 -0.09 0.00 0.10 0.00 0.00 34.13 33.86 3md7 s GLU 260 CO 0.07 0.01 1.46 -1.25 0.02 0.00 0.00 175.26 175.57 3md7 s PRO 261 N -1.29 3.78 1.04 0.39 0.04 -1.26 -0.77 135.00 136.93 3md7 s PRO 261 Ca -0.11 2.49 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 3md7 s PRO 261 Cb -0.09 -2.74 0.21 0.00 0.04 0.00 0.00 34.50 31.92 3md7 s PRO 261 CO -0.00 -0.76 1.15 0.20 0.04 0.00 0.00 177.00 177.62 3md7 s GLY 262 N -0.38 1.60 0.02 0.56 0.00 0.06 -4.73 107.32 104.45 3md7 s GLY 262 Ca 0.59 -0.74 -0.16 0.00 0.00 0.00 0.00 44.72 44.41 3md7 s GLY 262 CO 0.59 -0.03 0.35 -2.52 0.00 0.00 0.00 173.10 171.49 3md7 s TYR 263 N -3.22 -0.19 0.20 1.90 -0.85 -1.26 -5.00 117.35 108.94 3md7 s TYR 263 Ca 0.68 0.16 -0.31 0.00 -0.52 0.00 0.00 57.07 57.08 3md7 s TYR 263 Cb -0.12 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 42.25 3md7 s TYR 263 CO 0.55 -0.49 1.53 -0.51 -1.52 0.00 0.00 175.55 175.11 3md7 s ASP 264 N -1.80 6.59 0.00 -0.18 1.01 -1.26 -1.70 116.67 119.33 3md7 s ASP 264 Ca -0.08 2.65 0.00 0.00 0.71 0.00 0.00 52.55 55.84 3md7 s ASP 264 Cb -0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3md7 s ASP 264 CO -0.00 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.19 3md7 n GLY 265 N 3.17 1.11 3.66 0.21 0.00 0.32 -5.03 105.19 108.62 3md7 n GLY 265 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 3md7 n GLY 265 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3md7 n LEU 266 N 0.00 2.83 -3.87 0.99 0.00 -0.69 -4.71 117.00 111.55 3md7 n LEU 266 Ca 0.00 1.06 -0.14 0.00 0.00 0.00 0.00 56.01 56.94 3md7 n LEU 266 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 43.42 41.93 3md7 n LEU 266 CO 0.00 -0.39 -0.37 -0.60 0.00 0.00 0.00 177.39 176.03 3md7 s ARG 267 N 1.82 0.11 0.09 1.96 3.52 -1.26 -0.39 118.95 124.80 3md7 s ARG 267 Ca 0.85 -0.00 -0.12 0.00 -0.13 0.00 0.00 55.73 56.32 3md7 s ARG 267 Cb -0.77 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.48 3md7 s ARG 267 CO 0.45 -0.01 0.29 -0.59 -0.81 0.00 0.00 175.30 174.63 3md7 s PHE 268 N 0.22 -0.02 0.05 5.12 -0.12 -0.63 -5.00 117.98 117.60 3md7 s PHE 268 Ca -0.02 -0.32 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 3md7 s PHE 268 Cb -0.03 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3md7 s PHE 268 CO -0.01 -0.59 -0.23 -1.21 -0.05 0.00 0.00 175.22 173.13 3md7 s GLU 269 N -3.61 1.89 0.10 1.99 2.02 -1.26 -0.96 118.70 118.86 3md7 s GLU 269 Ca 0.02 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 53.97 3md7 s GLU 269 Cb 0.03 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3md7 s GLU 269 CO -0.10 0.52 -0.08 0.14 0.02 0.00 0.00 175.26 175.75 3md7 s VAL 270 N -0.88 0.82 0.49 2.63 -7.23 -0.27 -4.99 120.40 110.97 3md7 s VAL 270 Ca 0.13 -1.72 -0.23 0.00 -1.81 0.00 0.00 61.98 58.35 3md7 s VAL 270 Cb -0.10 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 3md7 s VAL 270 CO 0.04 -0.67 1.32 0.00 -0.31 0.00 0.00 175.10 175.48 3md7 s ALA 271 N -2.84 2.98 0.00 1.32 0.00 -1.26 -1.03 121.76 120.93 3md7 s ALA 271 Ca 0.07 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3md7 s ALA 271 Cb -0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3md7 s ALA 271 CO -0.02 -1.13 0.00 1.55 0.00 0.00 0.00 175.76 176.16