#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr7 n GLY 2 N 0.00 -3.30 3.88 -5.12 0.00 -1.26 -5.01 105.19 94.39 1mr7 n GLY 2 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1mr7 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mr7 s PRO 3 N -0.68 2.08 -0.45 1.61 0.04 -1.26 -5.01 135.00 131.33 1mr7 s PRO 3 Ca 0.00 0.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.06 1mr7 s PRO 3 Cb 0.00 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1mr7 s PRO 3 CO 0.00 -1.53 0.62 1.21 0.04 0.00 0.00 177.00 177.34 1mr7 s ASN 4 N -4.47 6.29 0.13 6.66 3.84 -1.26 -4.95 114.94 121.18 1mr7 s ASN 4 Ca 0.61 -0.48 0.14 0.00 0.21 0.00 0.00 52.86 53.34 1mr7 s ASN 4 Cb -0.11 -2.30 0.65 0.00 -0.55 0.00 0.00 41.25 38.93 1mr7 s ASN 4 CO 0.50 -0.78 1.43 -0.81 -2.79 0.00 0.00 177.10 174.65 1mr7 n PRO 5 N 6.19 0.08 -0.14 0.43 -0.04 -1.26 -1.80 135.00 138.46 1mr7 n PRO 5 Ca -0.03 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1mr7 n PRO 5 Cb 0.47 -1.69 0.28 0.00 -0.04 0.00 0.00 33.50 32.52 1mr7 n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1mr7 n MET 6 N -1.84 2.16 -3.13 0.54 2.81 -1.26 -4.49 117.12 111.91 1mr7 n MET 6 Ca 0.01 -1.75 -0.39 0.00 -1.81 0.00 0.00 57.70 53.76 1mr7 n MET 6 Cb 0.10 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.10 1mr7 n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1mr7 s LYS 7 N -1.64 4.35 0.13 0.03 1.02 -0.74 -4.83 119.74 118.06 1mr7 s LYS 7 Ca 0.35 0.70 -0.26 0.00 0.02 0.00 0.00 55.97 56.79 1mr7 s LYS 7 Cb 0.20 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1mr7 s LYS 7 CO 0.29 0.00 1.62 0.52 -0.92 0.00 0.00 175.35 176.86 1mr7 h MET 8 N 6.95 -0.37 -3.62 1.68 2.86 -1.89 -3.36 114.93 117.18 1mr7 h MET 8 Ca -0.38 0.03 -0.68 0.00 -2.06 0.00 0.00 59.70 56.61 1mr7 h MET 8 Cb 1.18 0.08 -0.37 0.00 0.06 0.00 0.00 31.60 32.55 1mr7 h MET 8 CO 0.76 -0.25 -0.47 0.71 1.06 0.00 0.00 176.91 178.72 1mr7 s TYR 9 N -6.03 3.36 -0.44 -0.22 1.51 -1.26 -1.24 117.35 113.03 1mr7 s TYR 9 Ca -0.15 -2.86 0.24 0.00 -1.01 0.00 0.00 57.07 53.29 1mr7 s TYR 9 Cb 0.10 -3.07 0.46 0.00 -0.11 0.00 0.00 41.96 39.34 1mr7 s TYR 9 CO 0.66 -0.82 1.65 -1.00 -1.11 0.00 0.00 175.55 174.93 1mr7 h PRO 10 N 6.93 0.00 -4.38 -1.71 0.13 -1.74 -3.41 132.00 127.83 1mr7 h PRO 10 Ca -0.04 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.36 1mr7 h PRO 10 Cb 0.94 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.85 1mr7 h PRO 10 CO 0.70 0.00 -0.35 0.42 -0.23 0.00 0.00 178.00 178.53 1mr7 s ILE 11 N -3.22 5.24 0.00 -3.56 1.01 -1.26 -4.88 121.20 114.52 1mr7 s ILE 11 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1mr7 s ILE 11 Cb 0.06 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1mr7 s ILE 11 CO 0.65 -0.50 0.00 -1.84 0.00 0.00 0.00 174.94 173.25 1mr7 n GLU 12 N 5.21 0.00 0.00 2.79 -0.00 -1.26 -4.33 120.64 123.05 1mr7 n GLU 12 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.04 1mr7 n GLU 12 Cb 0.45 -1.36 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 1mr7 n GLU 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1mr7 n ASN 14 N 1.62 0.00 0.00 -1.84 0.23 -1.26 -5.18 115.26 108.83 1mr7 n ASN 14 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 1mr7 n ASN 14 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 1mr7 n ASN 14 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1mr7 n LYS 15 N 0.00 0.17 0.08 -3.83 4.76 -1.26 -1.93 118.16 116.15 1mr7 n LYS 15 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1mr7 n LYS 15 Cb 0.00 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 31.85 1mr7 n LYS 15 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1mr7 h SER 16 N 0.00 0.35 -3.34 4.39 0.02 -1.93 -3.45 113.55 109.59 1mr7 h SER 16 Ca 0.00 -0.26 -0.58 0.00 -0.84 0.00 0.00 61.79 60.11 1mr7 h SER 16 Cb 0.00 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 1mr7 h SER 16 CO 0.00 1.04 0.28 -0.69 -1.14 0.00 0.00 176.83 176.32 1mr7 s VAL 17 N -3.35 4.94 -0.01 2.27 1.01 -0.81 -1.12 120.40 123.33 1mr7 s VAL 17 Ca -0.04 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.51 1mr7 s VAL 17 Cb 0.10 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1mr7 s VAL 17 CO 0.83 0.09 -0.17 -1.10 0.00 0.00 0.00 175.10 174.75 1mr7 s GLN 18 N 1.84 1.39 -0.11 2.72 -0.21 0.43 -4.23 119.66 121.49 1mr7 s GLN 18 Ca 0.36 -0.64 -0.27 0.00 0.02 0.00 0.00 55.36 54.84 1mr7 s GLN 18 Cb -0.17 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 1mr7 s GLN 18 CO 0.13 0.37 0.87 -0.06 -2.12 0.00 0.00 175.29 174.48 1mr7 s PHE 19 N -0.44 3.50 -0.06 0.91 2.99 -0.37 -0.41 117.98 124.11 1mr7 s PHE 19 Ca 0.07 1.39 0.15 0.00 0.00 0.00 0.00 56.93 58.54 1mr7 s PHE 19 Cb -0.07 -3.03 0.19 0.00 0.00 0.00 0.00 43.02 40.11 1mr7 s PHE 19 CO -0.00 -0.15 1.50 -0.84 -0.00 0.00 0.00 175.22 175.73 1mr7 h ILE 20 N 5.04 0.94 0.80 0.64 3.07 -1.64 -3.33 117.51 123.03 1mr7 h ILE 20 Ca -0.33 -2.16 -0.04 0.00 1.55 0.00 0.00 64.86 63.88 1mr7 h ILE 20 Cb 1.16 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 40.05 1mr7 h ILE 20 CO 0.82 0.50 -0.43 0.50 -1.05 0.00 0.00 178.15 178.49 1mr7 h LYS 21 N 0.00 -1.09 0.00 0.16 3.64 -1.78 0.70 116.57 118.21 1mr7 h LYS 21 Ca -0.01 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1mr7 h LYS 21 Cb 1.30 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1mr7 h LYS 21 CO 0.07 -0.73 -0.09 -1.00 -2.27 0.00 0.00 179.45 175.43 1mr7 h PRO 22 N -1.13 0.00 -0.20 1.90 0.13 -1.79 -1.31 132.00 129.61 1mr7 h PRO 22 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1mr7 h PRO 22 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1mr7 h PRO 22 CO 0.15 0.09 -0.31 0.82 -0.23 0.00 0.00 178.00 178.52 1mr7 h ILE 23 N 0.00 1.33 -0.02 -3.56 2.04 -1.53 -3.31 117.51 112.47 1mr7 h ILE 23 Ca -0.00 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1mr7 h ILE 23 Cb 0.18 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1mr7 h ILE 23 CO 0.01 0.47 -0.06 0.18 0.00 0.00 0.00 178.15 178.75 1mr7 n LEU 24 N -4.33 1.65 0.15 1.44 4.77 0.19 -4.30 117.00 116.57 1mr7 n LEU 24 Ca -0.06 -0.54 0.05 0.00 -0.03 0.00 0.00 56.01 55.43 1mr7 n LEU 24 Cb 0.48 -0.02 0.50 0.00 -2.33 0.00 0.00 43.42 42.05 1mr7 n LEU 24 CO 0.44 0.28 1.03 -0.08 -1.33 0.00 0.00 177.39 177.73 1mr7 h GLU 25 N 2.49 0.21 0.00 3.23 4.57 -1.34 -0.84 114.58 122.90 1mr7 h GLU 25 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1mr7 h GLU 25 Cb 0.58 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1mr7 h GLU 25 CO 0.00 0.22 0.00 1.57 -1.18 0.00 0.00 179.01 179.62 1mr7 h LYS 26 N 0.21 0.00 -5.90 1.92 2.10 -1.83 -3.45 116.57 109.63 1mr7 h LYS 26 Ca 0.05 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.13 1mr7 h LYS 26 Cb 0.12 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.38 1mr7 h LYS 26 CO -0.00 0.00 0.05 -0.51 -2.00 0.00 0.00 179.45 176.99 1mr7 s LEU 27 N -5.31 4.27 0.25 7.07 1.43 -0.32 -5.01 118.68 121.06 1mr7 s LEU 27 Ca -0.02 1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 1mr7 s LEU 27 Cb 0.09 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.25 1mr7 s LEU 27 CO 0.35 -0.12 1.41 -0.70 0.23 0.00 0.00 176.35 177.51 1mr7 s GLU 28 N 0.99 4.29 -1.02 1.70 2.12 -1.26 -3.18 118.70 122.34 1mr7 s GLU 28 Ca 0.33 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.92 1mr7 s GLU 28 Cb -0.17 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1mr7 s GLU 28 CO 0.15 -0.37 0.00 0.09 -0.54 0.00 0.00 175.26 174.58 1mr7 n ASN 29 N 2.23 -3.85 -4.12 -1.70 3.02 -1.26 -4.97 115.26 104.61 1mr7 n ASN 29 Ca 0.06 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.44 1mr7 n ASN 29 Cb 0.41 -2.83 -0.16 0.00 -0.61 0.00 0.00 39.78 36.59 1mr7 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mr7 s VAL 30 N -2.50 1.39 -0.08 2.41 1.01 -1.19 -1.47 120.40 119.97 1mr7 s VAL 30 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1mr7 s VAL 30 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1mr7 s VAL 30 CO 0.00 0.40 -0.11 -0.70 0.00 0.00 0.00 175.10 174.69 1mr7 s GLU 31 N 0.09 1.71 -0.01 2.72 2.12 -0.05 -4.89 118.70 120.39 1mr7 s GLU 31 Ca -0.05 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.91 1mr7 s GLU 31 Cb -0.12 -1.48 0.00 0.00 0.26 0.00 0.00 34.13 32.79 1mr7 s GLU 31 CO 0.02 -0.04 -0.05 0.08 -0.54 0.00 0.00 175.26 174.73 1mr7 s VAL 32 N 0.91 0.47 0.61 3.70 1.01 -1.26 -0.96 120.40 124.88 1mr7 s VAL 32 Ca -0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1mr7 s VAL 32 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1mr7 s VAL 32 CO 0.01 0.15 1.03 -0.83 0.00 0.00 0.00 175.10 175.46 1mr7 s GLY 33 N 0.14 1.74 0.60 4.51 0.00 -0.00 -4.80 107.32 109.51 1mr7 s GLY 33 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 44.72 44.51 1mr7 s GLY 33 CO -0.00 0.28 1.31 -0.54 0.00 0.00 0.00 173.10 174.15 1mr7 s GLU 34 N -4.94 2.84 0.00 2.90 8.01 -1.26 -3.44 118.70 122.82 1mr7 s GLU 34 Ca 0.56 2.11 0.00 0.00 0.01 0.00 0.00 54.97 57.66 1mr7 s GLU 34 Cb -0.11 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 1mr7 s GLU 34 CO 0.50 -1.39 0.00 0.66 0.01 0.00 0.00 175.26 175.04 1mr7 n TYR 35 N -1.50 0.00 -1.87 1.61 4.02 -1.26 -2.11 117.16 116.05 1mr7 n TYR 35 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 1mr7 n TYR 35 Cb 0.47 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 1mr7 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1mr7 s SER 36 N -2.01 6.49 0.15 7.72 0.01 -1.22 -4.54 113.70 120.29 1mr7 s SER 36 Ca 0.00 2.82 0.05 0.00 1.31 0.00 0.00 55.95 60.13 1mr7 s SER 36 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1mr7 s SER 36 CO 0.00 -0.84 -0.11 -0.72 0.41 0.00 0.00 173.24 171.98 1mr7 s TYR 37 N 0.22 1.33 -0.05 2.43 -0.85 -0.50 -1.63 117.35 118.30 1mr7 s TYR 37 Ca 0.64 -0.70 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 1mr7 s TYR 37 Cb -0.46 -0.67 -0.00 0.00 0.38 0.00 0.00 41.96 41.21 1mr7 s TYR 37 CO 0.43 0.13 -0.20 -0.47 -1.52 0.00 0.00 175.55 173.92 1mr7 s TYR 38 N -3.07 2.01 -0.50 -3.49 5.04 0.46 -1.23 117.35 116.56 1mr7 s TYR 38 Ca 0.16 -0.62 -0.16 0.00 -2.44 0.00 0.00 57.07 54.01 1mr7 s TYR 38 Cb 0.01 -1.34 0.10 0.00 0.35 0.00 0.00 41.96 41.07 1mr7 s TYR 38 CO 0.02 -0.21 0.44 0.34 -1.34 0.00 0.00 175.55 174.79 1mr7 s ASP 39 N 0.04 6.15 0.46 4.32 2.15 -0.54 -0.43 116.67 128.83 1mr7 s ASP 39 Ca -0.06 -1.55 -0.24 0.00 0.43 0.00 0.00 52.55 51.13 1mr7 s ASP 39 Cb -0.13 -2.19 -0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1mr7 s ASP 39 CO 0.03 -0.74 1.30 -0.55 -0.17 0.00 0.00 175.17 175.04 1mr7 s SER 40 N 3.05 5.98 -0.15 -0.34 0.15 -0.27 -2.38 113.70 119.75 1mr7 s SER 40 Ca 0.04 2.64 -0.24 0.00 0.70 0.00 0.00 55.95 59.08 1mr7 s SER 40 Cb -0.27 -2.63 -0.22 0.00 -1.71 0.00 0.00 66.02 61.19 1mr7 s SER 40 CO 0.05 -1.08 0.57 0.50 1.20 0.00 0.00 173.24 174.48 1mr7 h LYS 41 N 2.22 0.00 0.00 5.44 3.64 -1.90 -3.41 116.57 122.55 1mr7 h LYS 41 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1mr7 h LYS 41 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1mr7 h LYS 41 CO 0.61 0.88 -0.15 0.09 -2.27 0.00 0.00 179.45 178.61 1mr7 n ASN 42 N -4.59 1.44 0.00 4.20 3.02 -1.26 -4.98 115.26 113.08 1mr7 n ASN 42 Ca -0.13 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 1mr7 n ASN 42 Cb 0.47 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1mr7 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr7 n GLY 43 N -0.80 0.24 3.70 7.41 0.00 -1.26 -5.08 105.19 109.41 1mr7 n GLY 43 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1mr7 n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mr7 n GLU 44 N -1.89 1.44 -3.21 1.61 0.00 -1.26 -5.03 120.64 112.31 1mr7 n GLU 44 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 57.16 57.39 1mr7 n GLU 44 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 31.44 28.96 1mr7 n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1mr7 s THR 45 N -1.34 4.88 0.40 3.84 -4.23 -1.26 -4.74 115.64 113.19 1mr7 s THR 45 Ca 0.73 0.47 0.31 0.00 -1.18 0.00 0.00 61.69 62.02 1mr7 s THR 45 Cb -0.43 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.07 1mr7 s THR 45 CO 0.49 -0.27 2.11 0.15 -0.54 0.00 0.00 174.62 176.55 1mr7 h PHE 46 N 1.94 0.00 -0.21 3.99 3.57 -1.97 -1.14 116.94 123.12 1mr7 h PHE 46 Ca -0.47 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.09 1mr7 h PHE 46 Cb 1.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1mr7 h PHE 46 CO 0.60 0.08 0.18 0.38 -2.23 0.00 0.00 178.31 177.32 1mr7 h ASP 47 N 0.00 0.00 0.79 0.41 2.03 -1.94 -0.13 116.42 117.58 1mr7 h ASP 47 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1mr7 h ASP 47 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1mr7 h ASP 47 CO 0.01 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.51 1mr7 n LYS 48 N -4.15 0.15 0.00 4.15 4.76 -0.43 -2.90 118.16 119.73 1mr7 n LYS 48 Ca 0.02 0.33 0.13 0.00 -2.87 0.00 0.00 58.31 55.92 1mr7 n LYS 48 Cb 0.31 -1.75 0.35 0.00 -1.84 0.00 0.00 35.03 32.10 1mr7 n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1mr7 n GLN 49 N -2.02 0.89 -3.55 1.97 1.13 -0.06 -4.80 117.38 110.94 1mr7 n GLN 49 Ca 0.03 -0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 54.14 1mr7 n GLN 49 Cb 0.25 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.00 1mr7 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mr7 s ILE 50 N -2.49 4.94 0.03 5.09 1.01 -1.14 -1.09 121.20 127.55 1mr7 s ILE 50 Ca 0.24 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1mr7 s ILE 50 Cb 0.19 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1mr7 s ILE 50 CO 0.52 -0.18 -0.10 -0.76 0.00 0.00 0.00 174.94 174.42 1mr7 s LEU 51 N 1.64 2.98 -1.39 2.97 1.43 0.39 -4.66 118.68 122.05 1mr7 s LEU 51 Ca 0.04 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1mr7 s LEU 51 Cb -0.18 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1mr7 s LEU 51 CO 0.08 0.26 1.15 -1.22 0.23 0.00 0.00 176.35 176.85 1mr7 n TYR 52 N 1.44 -2.79 -3.45 0.29 4.02 -1.26 -0.86 117.16 114.54 1mr7 n TYR 52 Ca -0.15 0.99 -0.43 0.00 -0.01 0.00 0.00 57.90 58.30 1mr7 n TYR 52 Cb 0.52 -4.89 -0.08 0.00 -0.02 0.00 0.00 39.34 34.88 1mr7 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mr7 s HIS 53 N -3.31 3.31 -0.19 -0.72 2.46 -1.26 -0.95 115.29 114.63 1mr7 s HIS 53 Ca 0.59 -1.36 -0.01 0.00 0.47 0.00 0.00 55.06 54.75 1mr7 s HIS 53 Cb -0.27 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 1mr7 s HIS 53 CO 0.73 -0.91 -0.12 0.71 -2.47 0.00 0.00 174.74 172.69 1mr7 s TYR 54 N 1.52 2.86 0.41 3.88 2.02 -1.26 -5.02 117.35 121.76 1mr7 s TYR 54 Ca 0.04 -1.14 0.17 0.00 -0.37 0.00 0.00 57.07 55.76 1mr7 s TYR 54 Cb -0.26 -1.99 1.05 0.00 -0.40 0.00 0.00 41.96 40.36 1mr7 s TYR 54 CO 0.03 -0.58 1.84 -1.35 -1.57 0.00 0.00 175.55 173.91 1mr7 h PRO 55 N 7.81 0.43 0.00 -1.71 0.11 -1.93 -0.98 132.00 135.73 1mr7 h PRO 55 Ca -0.40 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1mr7 h PRO 55 Cb 1.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1mr7 h PRO 55 CO 0.60 0.28 -0.04 0.97 -0.21 0.00 0.00 178.00 179.60 1mr7 h ILE 56 N 0.44 0.75 0.00 4.15 6.09 -1.99 -0.97 117.51 125.98 1mr7 h ILE 56 Ca 0.50 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 1mr7 h ILE 56 Cb 1.19 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1mr7 h ILE 56 CO -0.21 0.04 -0.19 -0.07 -3.07 0.00 0.00 178.15 174.65 1mr7 h LEU 57 N 0.00 0.00 0.00 2.19 3.38 -1.61 -3.47 115.31 115.80 1mr7 h LEU 57 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mr7 h LEU 57 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1mr7 h LEU 57 CO 0.01 0.03 0.00 -3.20 0.09 0.00 0.00 178.44 175.37 1mr7 n ASN 58 N -2.26 -5.12 -4.77 -0.43 4.05 -0.37 -4.98 115.26 101.39 1mr7 n ASN 58 Ca 0.05 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.68 1mr7 n ASN 58 Cb 0.44 -2.89 -0.02 0.00 1.23 0.00 0.00 39.78 38.53 1mr7 n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1mr7 s ASP 59 N -2.01 6.77 0.05 1.20 -4.77 -1.26 -5.04 116.67 111.61 1mr7 s ASP 59 Ca 0.00 2.49 0.04 0.00 -3.30 0.00 0.00 52.55 51.78 1mr7 s ASP 59 Cb 0.00 -2.63 -0.04 0.00 -1.09 0.00 0.00 42.92 39.16 1mr7 s ASP 59 CO 0.00 -0.51 -0.04 -0.54 0.70 0.00 0.00 175.17 174.77 1mr7 s LYS 60 N -1.90 2.50 -0.14 2.11 3.01 -1.26 -4.93 119.74 119.13 1mr7 s LYS 60 Ca 0.51 -0.81 -0.02 0.00 -1.01 0.00 0.00 55.97 54.64 1mr7 s LYS 60 Cb -0.35 -2.50 -0.02 0.00 -1.01 0.00 0.00 37.83 33.95 1mr7 s LYS 60 CO 0.46 0.56 -0.07 -1.17 0.51 0.00 0.00 175.35 175.64 1mr7 s LEU 61 N -1.90 3.05 -0.06 3.17 2.96 -0.54 -1.30 118.68 124.05 1mr7 s LEU 61 Ca 0.21 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1mr7 s LEU 61 Cb -0.11 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1mr7 s LEU 61 CO 0.13 0.19 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.50 1mr7 s LYS 62 N 0.21 1.47 -0.06 1.98 2.20 -0.35 -0.87 119.74 124.31 1mr7 s LYS 62 Ca -0.05 -0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.29 1mr7 s LYS 62 Cb -0.14 -1.28 -0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1mr7 s LYS 62 CO 0.04 -0.02 -0.22 0.42 -0.36 0.00 0.00 175.35 175.21 1mr7 s ILE 63 N 0.80 1.83 0.00 5.43 1.01 -0.14 -0.18 121.20 129.95 1mr7 s ILE 63 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1mr7 s ILE 63 Cb -0.15 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1mr7 s ILE 63 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1mr7 n GLY 64 N 3.17 -0.82 3.94 6.18 0.00 -0.14 -0.82 105.19 116.69 1mr7 n GLY 64 Ca -0.18 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 1mr7 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mr7 s LYS 65 N -1.19 3.50 -1.50 1.61 1.02 -1.26 -2.77 119.74 119.15 1mr7 s LYS 65 Ca 0.00 -0.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.55 1mr7 s LYS 65 Cb 0.00 -2.68 0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1mr7 s LYS 65 CO 0.00 0.18 0.89 1.19 -0.92 0.00 0.00 175.35 176.69 1mr7 n PHE 66 N -1.59 -2.21 -3.28 3.18 3.72 -0.89 -1.19 117.46 115.20 1mr7 n PHE 66 Ca -0.05 0.82 -0.30 0.00 -0.05 0.00 0.00 57.45 57.87 1mr7 n PHE 66 Cb 0.56 -3.87 -0.04 0.00 -0.94 0.00 0.00 39.48 35.19 1mr7 n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mr7 s SER 68 N -2.80 3.63 -0.20 0.00 0.01 0.18 -1.41 113.70 113.11 1mr7 s SER 68 Ca 0.47 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1mr7 s SER 68 Cb -0.11 -1.53 0.02 0.00 0.21 0.00 0.00 66.02 64.61 1mr7 s SER 68 CO 0.26 -0.06 -0.16 -0.63 0.41 0.00 0.00 173.24 173.06 1mr7 s ILE 69 N 1.27 2.29 0.75 1.44 1.01 -0.37 -0.38 121.20 127.21 1mr7 s ILE 69 Ca 0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1mr7 s ILE 69 Cb -0.15 -2.03 0.06 0.00 0.01 0.00 0.00 42.46 40.34 1mr7 s ILE 69 CO -0.10 0.43 1.11 -0.83 0.00 0.00 0.00 174.94 175.56 1mr7 s GLY 70 N 1.29 1.62 0.27 6.18 0.00 0.07 -1.47 107.32 115.29 1mr7 s GLY 70 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 1mr7 s GLY 70 CO -0.10 -0.21 1.49 2.56 0.00 0.00 0.00 173.10 176.84 1mr7 s PRO 71 N -5.43 4.21 0.00 2.90 0.04 -1.00 -2.99 135.00 132.73 1mr7 s PRO 71 Ca 0.60 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1mr7 s PRO 71 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1mr7 s PRO 71 CO 0.48 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1mr7 n GLY 72 N 2.09 1.44 3.59 0.56 0.00 -1.26 -1.19 105.19 110.43 1mr7 n GLY 72 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.60 1mr7 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mr7 n VAL 73 N -2.00 0.56 -4.54 1.61 0.31 -1.16 -4.38 118.33 108.73 1mr7 n VAL 73 Ca 0.00 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 63.92 1mr7 n VAL 73 Cb 0.00 -0.93 -0.14 0.00 -0.91 0.00 0.00 33.84 31.87 1mr7 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1mr7 s THR 74 N 0.09 1.94 -0.20 2.52 -4.23 -0.52 -4.81 115.64 110.43 1mr7 s THR 74 Ca 0.77 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1mr7 s THR 74 Cb -0.86 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 71.30 1mr7 s THR 74 CO 0.49 0.14 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.94 1mr7 s ILE 75 N -0.96 2.42 -0.34 2.99 1.01 -0.25 -0.89 121.20 125.18 1mr7 s ILE 75 Ca 0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1mr7 s ILE 75 Cb -0.10 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1mr7 s ILE 75 CO 0.04 0.42 0.29 -0.63 0.00 0.00 0.00 174.94 175.05 1mr7 s ILE 76 N 1.31 5.24 0.00 2.92 -1.09 0.60 -0.46 121.20 129.72 1mr7 s ILE 76 Ca 0.03 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1mr7 s ILE 76 Cb -0.14 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1mr7 s ILE 76 CO -0.09 -0.05 0.00 0.23 -1.23 0.00 0.00 174.94 173.79 1mr7 n MET 77 N 5.21 1.04 0.00 2.79 2.81 -0.04 -2.49 117.12 126.44 1mr7 n MET 77 Ca -0.11 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 55.93 1mr7 n MET 77 Cb 0.49 0.00 0.78 0.00 -0.71 0.00 0.00 33.22 33.78 1mr7 n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mr7 n ASN 78 N -2.47 0.41 0.13 7.83 3.02 -1.21 -4.16 115.26 118.82 1mr7 n ASN 78 Ca 0.00 -0.96 0.12 0.00 -0.03 0.00 0.00 54.58 53.72 1mr7 n ASN 78 Cb 0.00 -0.04 0.48 0.00 -0.61 0.00 0.00 39.78 39.61 1mr7 n ASN 78 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1mr7 h GLY 79 N 4.96 0.00 -2.13 7.41 0.00 -1.35 -2.36 103.07 109.60 1mr7 h GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mr7 h GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1mr7 n ALA 80 N -1.80 2.43 -1.81 3.60 0.00 -1.26 -4.97 120.51 116.71 1mr7 n ALA 80 Ca 0.03 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 1mr7 n ALA 80 Cb 0.28 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1mr7 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mr7 s ASN 81 N -1.54 6.53 0.32 0.00 0.01 -0.89 -5.02 114.94 114.35 1mr7 s ASN 81 Ca 0.37 2.82 -0.08 0.00 -0.71 0.00 0.00 52.86 55.27 1mr7 s ASN 81 Cb 0.22 -2.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 1mr7 s ASN 81 CO 0.31 -0.78 0.63 -1.00 -1.51 0.00 0.00 177.10 174.76 1mr7 s HIS 82 N -0.29 3.46 0.25 2.20 3.76 -1.26 -4.93 115.29 118.48 1mr7 s HIS 82 Ca 0.58 0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 56.02 1mr7 s HIS 82 Cb -0.44 -2.25 -0.10 0.00 1.11 0.00 0.00 32.58 30.89 1mr7 s HIS 82 CO 0.49 0.09 1.51 0.50 -0.85 0.00 0.00 174.74 176.47 1mr7 s ARG 83 N -3.54 4.22 -0.00 1.40 3.52 -1.26 -4.46 118.95 118.83 1mr7 s ARG 83 Ca 0.47 2.40 0.04 0.00 -0.13 0.00 0.00 55.73 58.50 1mr7 s ARG 83 Cb -0.11 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.26 1mr7 s ARG 83 CO 0.29 -0.51 1.02 -1.33 -0.81 0.00 0.00 175.30 173.96 1mr7 n MET 84 N 2.51 0.01 0.04 5.12 0.00 -1.26 -4.02 117.12 119.51 1mr7 n MET 84 Ca 0.08 -1.15 0.12 0.00 0.00 0.00 0.00 57.70 56.76 1mr7 n MET 84 Cb 0.39 -0.43 0.50 0.00 0.00 0.00 0.00 33.22 33.68 1mr7 n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1mr7 n ASP 85 N 0.06 0.25 0.00 7.83 5.75 -1.26 -4.86 116.55 124.32 1mr7 n ASP 85 Ca 0.01 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1mr7 n ASP 85 Cb 0.76 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1mr7 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mr7 n GLY 86 N 1.06 4.06 3.77 6.12 0.00 -1.26 -5.12 105.19 113.82 1mr7 n GLY 86 Ca 0.06 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1mr7 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mr7 s SER 87 N 1.41 6.58 0.00 1.61 0.15 -1.26 -4.90 113.70 117.30 1mr7 s SER 87 Ca 0.00 2.83 0.30 0.00 0.70 0.00 0.00 55.95 59.78 1mr7 s SER 87 Cb 0.00 -2.65 1.53 0.00 -1.71 0.00 0.00 66.02 63.18 1mr7 s SER 87 CO 0.00 -0.70 2.01 0.35 1.20 0.00 0.00 173.24 176.11 1mr7 n THR 88 N 0.94 0.00 -2.40 6.45 -2.24 -1.26 -4.65 114.28 111.11 1mr7 n THR 88 Ca 0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1mr7 n THR 88 Cb 0.40 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1mr7 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mr7 s TYR 89 N -2.00 3.17 -1.30 4.78 6.14 -1.26 -4.75 117.35 122.13 1mr7 s TYR 89 Ca 0.43 1.15 -0.11 0.00 0.64 0.00 0.00 57.07 59.18 1mr7 s TYR 89 Cb 0.21 -3.47 0.14 0.00 0.42 0.00 0.00 41.96 39.27 1mr7 s TYR 89 CO 0.35 -1.54 1.86 -0.35 0.64 0.00 0.00 175.55 176.51 1mr7 n PRO 90 N 4.98 3.44 -0.30 4.97 -0.04 -1.26 -4.80 135.00 141.99 1mr7 n PRO 90 Ca 0.11 -3.42 0.14 0.00 -0.04 0.00 0.00 63.50 60.28 1mr7 n PRO 90 Cb 0.46 -3.03 0.31 0.00 -0.04 0.00 0.00 33.50 31.20 1mr7 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mr7 h PHE 91 N 6.08 0.56 -0.80 0.54 -1.00 -1.91 -1.44 116.94 118.97 1mr7 h PHE 91 Ca 0.41 0.04 0.23 0.00 2.81 0.00 0.00 57.97 61.46 1mr7 h PHE 91 Cb 0.68 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 1mr7 h PHE 91 CO 1.27 -0.11 0.57 -2.95 -1.61 0.00 0.00 178.31 175.48 1mr7 h ASN 92 N 0.33 0.05 0.33 2.17 -1.07 -1.79 -2.39 115.58 113.22 1mr7 h ASN 92 Ca 0.56 0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.91 1mr7 h ASN 92 Cb 1.11 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1mr7 h ASN 92 CO -0.57 0.02 -0.16 0.25 0.07 0.00 0.00 177.43 177.04 1mr7 h LEU 93 N 0.05 0.00 -1.06 6.14 6.46 -1.56 -3.11 115.31 122.23 1mr7 h LEU 93 Ca 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1mr7 h LEU 93 Cb 1.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1mr7 h LEU 93 CO -0.03 0.16 -0.20 0.49 -0.62 0.00 0.00 178.44 178.25 1mr7 n PHE 94 N -3.84 0.00 -4.20 1.25 3.01 -0.90 -5.05 117.46 107.73 1mr7 n PHE 94 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1mr7 n PHE 94 Cb 0.26 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1mr7 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mr7 n GLY 95 N 1.32 1.12 2.45 1.37 0.00 -1.17 -4.86 105.19 105.42 1mr7 n GLY 95 Ca 0.13 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1mr7 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mr7 n ASN 96 N -2.93 -5.45 0.00 1.61 4.13 -1.26 -1.32 115.26 110.03 1mr7 n ASN 96 Ca 0.00 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1mr7 n ASN 96 Cb 0.00 -4.67 0.00 0.00 -1.54 0.00 0.00 39.78 33.57 1mr7 n ASN 96 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mr7 n GLY 97 N -0.72 2.66 0.02 7.41 0.00 -1.26 -4.92 105.19 108.38 1mr7 n GLY 97 Ca -0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1mr7 n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mr7 n TRP 98 N -0.73 0.15 0.36 1.61 8.01 -0.43 -3.18 117.44 123.23 1mr7 n TRP 98 Ca 0.00 0.05 0.13 0.00 -1.31 0.00 0.00 57.50 56.37 1mr7 n TRP 98 Cb 0.00 -0.58 0.54 0.00 -2.01 0.00 0.00 31.31 29.25 1mr7 n TRP 98 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 1mr7 h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.73 -0.90 114.58 120.05 1mr7 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mr7 h GLU 99 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1mr7 h GLU 99 CO 0.00 0.00 0.00 0.36 0.05 0.00 0.00 179.01 179.42 1mr7 n LYS 100 N -2.36 0.03 -1.05 1.06 2.85 -1.19 -2.90 118.16 114.60 1mr7 n LYS 100 Ca 0.02 0.26 -0.14 0.00 -1.05 0.00 0.00 58.31 57.40 1mr7 n LYS 100 Cb 0.22 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.31 1mr7 n LYS 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1mr7 n HIS 101 N -1.46 2.35 -1.96 5.58 8.25 -0.34 -4.98 115.22 122.66 1mr7 n HIS 101 Ca 0.04 -1.63 -0.41 0.00 -0.26 0.00 0.00 57.72 55.45 1mr7 n HIS 101 Cb 0.14 -0.76 -0.02 0.00 1.12 0.00 0.00 29.99 30.47 1mr7 n HIS 101 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1mr7 s MET 102 N -3.21 4.23 0.39 -0.41 1.75 -1.14 -4.49 119.30 116.42 1mr7 s MET 102 Ca 0.53 2.36 -0.26 0.00 -1.25 0.00 0.00 55.69 57.07 1mr7 s MET 102 Cb 0.45 -3.10 -0.09 0.00 2.84 0.00 0.00 34.83 34.93 1mr7 s MET 102 CO 0.08 -0.48 1.25 -1.25 -0.65 0.00 0.00 175.02 173.98 1mr7 s PRO 103 N -0.27 4.04 0.70 4.11 0.04 -1.26 -5.03 135.00 137.33 1mr7 s PRO 103 Ca 0.61 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.56 1mr7 s PRO 103 Cb -0.43 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1mr7 s PRO 103 CO 0.43 -0.39 1.11 0.15 0.04 0.00 0.00 177.00 178.34 1mr7 s LYS 104 N -2.20 2.60 0.29 4.56 1.02 -1.26 -4.94 119.74 119.82 1mr7 s LYS 104 Ca 0.56 1.34 0.02 0.00 0.02 0.00 0.00 55.97 57.91 1mr7 s LYS 104 Cb -0.36 -1.93 0.58 0.00 -0.52 0.00 0.00 37.83 35.60 1mr7 s LYS 104 CO 0.46 -1.40 1.84 -0.07 -0.92 0.00 0.00 175.35 175.26 1mr7 h LEU 105 N -0.33 0.90 0.00 3.17 3.38 -1.96 -0.16 115.31 120.31 1mr7 h LEU 105 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mr7 h LEU 105 Cb 1.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1mr7 h LEU 105 CO 0.53 0.48 0.00 -0.90 0.09 0.00 0.00 178.44 178.64 1mr7 n ASP 106 N -4.61 0.00 -0.38 -0.43 5.68 -1.26 -2.26 116.55 113.29 1mr7 n ASP 106 Ca 0.19 -0.46 0.10 0.00 -0.50 0.00 0.00 54.79 54.11 1mr7 n ASP 106 Cb 0.36 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1mr7 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mr7 n GLN 107 N -1.08 1.20 -3.32 0.11 6.02 -0.08 -4.91 117.38 115.32 1mr7 n GLN 107 Ca 0.14 -0.77 -0.38 0.00 -0.01 0.00 0.00 57.00 55.97 1mr7 n GLN 107 Cb 0.09 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 1mr7 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mr7 s LEU 108 N -2.46 4.47 0.23 1.08 1.43 -0.96 -4.59 118.68 117.88 1mr7 s LEU 108 Ca 0.15 1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 1mr7 s LEU 108 Cb 0.16 -2.81 -0.14 0.00 0.03 0.00 0.00 46.19 43.43 1mr7 s LEU 108 CO 0.58 0.23 1.36 -2.65 0.23 0.00 0.00 176.35 176.10 1mr7 n PRO 109 N 2.12 1.88 -4.02 1.29 -0.02 -1.26 -4.98 135.00 130.00 1mr7 n PRO 109 Ca -0.10 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1mr7 n PRO 109 Cb 0.51 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 1mr7 n PRO 109 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1mr7 s ILE 110 N -0.08 2.43 -1.86 4.25 1.10 -1.26 -4.95 121.20 120.85 1mr7 s ILE 110 Ca 0.69 -1.49 0.27 0.00 -0.51 0.00 0.00 60.65 59.61 1mr7 s ILE 110 Cb -0.69 -2.39 0.30 0.00 0.15 0.00 0.00 42.46 39.84 1mr7 s ILE 110 CO 0.50 -0.00 1.58 0.29 -2.11 0.00 0.00 174.94 175.20 1mr7 n LYS 111 N 4.51 0.95 0.00 3.50 5.02 -1.26 -5.04 118.16 125.84 1mr7 n LYS 111 Ca -0.14 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 1mr7 n LYS 111 Cb 0.43 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1mr7 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mr7 n GLY 112 N 1.32 -1.28 3.87 0.72 0.00 -1.26 -4.24 105.19 104.33 1mr7 n GLY 112 Ca 0.13 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1mr7 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mr7 s ASP 113 N -0.93 6.32 -0.23 1.61 1.01 -1.26 -3.72 116.67 119.47 1mr7 s ASP 113 Ca 0.00 1.32 -0.06 0.00 0.71 0.00 0.00 52.55 54.52 1mr7 s ASP 113 Cb 0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1mr7 s ASP 113 CO 0.00 -0.73 0.04 -0.89 0.21 0.00 0.00 175.17 173.80 1mr7 s THR 114 N -2.94 4.16 -0.20 -1.27 2.01 -0.42 -3.62 115.64 113.36 1mr7 s THR 114 Ca 0.54 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 1mr7 s THR 114 Cb -0.11 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.53 1mr7 s THR 114 CO 0.47 0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.12 1mr7 s ILE 115 N 1.40 1.12 -0.20 1.82 1.01 -0.23 -1.22 121.20 124.90 1mr7 s ILE 115 Ca 0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1mr7 s ILE 115 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1mr7 s ILE 115 CO 0.02 -0.06 0.06 -0.63 0.00 0.00 0.00 174.94 174.33 1mr7 s ILE 116 N 1.60 4.63 0.00 2.92 1.01 0.74 -0.62 121.20 131.49 1mr7 s ILE 116 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1mr7 s ILE 116 Cb -0.17 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1mr7 s ILE 116 CO -0.07 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1mr7 n GLY 117 N 3.97 -0.21 3.91 6.18 0.00 -0.06 -0.97 105.19 118.01 1mr7 n GLY 117 Ca -0.16 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 1mr7 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mr7 s ASN 118 N -1.17 6.21 -1.46 1.61 -0.87 -1.26 -2.11 114.94 115.89 1mr7 s ASN 118 Ca 0.00 0.15 -0.09 0.00 -1.57 0.00 0.00 52.86 51.35 1mr7 s ASN 118 Cb 0.00 -1.85 0.04 0.00 -0.02 0.00 0.00 41.25 39.42 1mr7 s ASN 118 CO 0.00 0.09 0.84 -0.67 -2.57 0.00 0.00 177.10 174.79 1mr7 n ASP 119 N -0.29 -5.52 -4.75 -1.22 4.64 -0.33 -0.34 116.55 108.73 1mr7 n ASP 119 Ca -0.07 -0.50 -0.36 0.00 -1.38 0.00 0.00 54.79 52.49 1mr7 n ASP 119 Cb 0.53 -4.42 -0.08 0.00 -1.04 0.00 0.00 41.12 36.11 1mr7 n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mr7 s VAL 120 N -3.21 5.18 -0.30 5.18 1.01 -1.26 -3.22 120.40 123.78 1mr7 s VAL 120 Ca 0.49 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1mr7 s VAL 120 Cb -0.23 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1mr7 s VAL 120 CO 0.60 0.53 0.08 0.86 0.00 0.00 0.00 175.10 177.17 1mr7 s TRP 121 N -0.26 3.16 -0.28 5.22 -0.00 -0.88 -0.64 118.94 125.27 1mr7 s TRP 121 Ca 0.10 -1.05 -0.08 0.00 -0.00 0.00 0.00 56.10 55.06 1mr7 s TRP 121 Cb -0.12 -2.26 -0.02 0.00 -0.00 0.00 0.00 33.47 31.08 1mr7 s TRP 121 CO 0.01 -0.60 0.11 0.42 -0.00 0.00 0.00 176.95 176.88 1mr7 s ILE 122 N 1.48 4.43 0.98 5.86 -1.09 0.48 -1.09 121.20 132.26 1mr7 s ILE 122 Ca 0.02 -0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.01 1mr7 s ILE 122 Cb -0.17 -3.16 0.18 0.00 -1.58 0.00 0.00 42.46 37.72 1mr7 s ILE 122 CO 0.02 0.21 1.13 -0.83 -1.23 0.00 0.00 174.94 174.25 1mr7 s GLY 123 N 1.61 1.58 0.25 6.18 0.00 -0.26 -0.75 107.32 115.93 1mr7 s GLY 123 Ca 0.05 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1mr7 s GLY 123 CO 0.05 0.06 1.14 1.17 0.00 0.00 0.00 173.10 175.52 1mr7 n LYS 124 N -4.02 1.45 -1.68 2.90 4.81 -1.26 -2.75 118.16 117.61 1mr7 n LYS 124 Ca 0.07 0.51 -0.21 0.00 -0.87 0.00 0.00 58.31 57.82 1mr7 n LYS 124 Cb 0.59 -1.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.57 1mr7 n LYS 124 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1mr7 n ASP 125 N 1.59 -5.54 -4.76 3.14 10.43 -0.33 -0.77 116.55 120.30 1mr7 n ASP 125 Ca 0.11 0.46 -0.38 0.00 2.57 0.00 0.00 54.79 57.55 1mr7 n ASP 125 Cb 0.30 -4.84 0.00 0.00 1.84 0.00 0.00 41.12 38.42 1mr7 n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1mr7 s VAL 126 N -2.80 2.72 -0.16 2.53 1.01 -1.11 -4.26 120.40 118.33 1mr7 s VAL 126 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 1mr7 s VAL 126 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1mr7 s VAL 126 CO 0.00 0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.34 1mr7 s VAL 127 N -1.38 3.12 -0.30 2.92 1.01 -0.03 -1.44 120.40 124.29 1mr7 s VAL 127 Ca 0.62 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1mr7 s VAL 127 Cb -0.35 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1mr7 s VAL 127 CO 0.43 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 175.53 1mr7 s ILE 128 N 0.75 4.51 0.59 2.22 -1.09 -0.06 -0.75 121.20 127.37 1mr7 s ILE 128 Ca -0.04 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1mr7 s ILE 128 Cb -0.15 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1mr7 s ILE 128 CO 0.01 0.10 0.86 -0.04 -1.23 0.00 0.00 174.94 174.65 1mr7 s MET 129 N 1.60 2.58 0.49 2.79 -1.94 -0.78 -0.29 119.30 123.75 1mr7 s MET 129 Ca 0.05 -0.42 -0.24 0.00 -1.71 0.00 0.00 55.69 53.37 1mr7 s MET 129 Cb -0.17 -2.35 -0.07 0.00 2.01 0.00 0.00 34.83 34.25 1mr7 s MET 129 CO 0.06 -0.82 1.36 -2.14 -0.01 0.00 0.00 175.02 173.47 1mr7 s PRO 130 N -4.93 3.48 0.00 2.03 0.02 -1.04 -3.52 135.00 131.04 1mr7 s PRO 130 Ca 0.56 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1mr7 s PRO 130 Cb -0.10 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.95 1mr7 s PRO 130 CO 0.42 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1mr7 n GLY 131 N 0.64 0.59 3.79 0.52 0.00 -1.24 -4.85 105.19 104.63 1mr7 n GLY 131 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1mr7 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mr7 s VAL 132 N -2.18 4.35 -0.11 1.61 1.01 -1.23 -4.68 120.40 119.17 1mr7 s VAL 132 Ca 0.00 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1mr7 s VAL 132 Cb 0.00 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1mr7 s VAL 132 CO 0.00 0.32 -0.19 -0.54 0.00 0.00 0.00 175.10 174.69 1mr7 s LYS 133 N -1.66 3.20 -0.18 2.72 -0.14 -1.26 -1.07 119.74 121.36 1mr7 s LYS 133 Ca 0.43 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 54.26 1mr7 s LYS 133 Cb -0.20 -2.46 0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1mr7 s LYS 133 CO 0.25 0.20 -0.19 0.42 -0.76 0.00 0.00 175.35 175.27 1mr7 s ILE 134 N 0.33 2.03 0.89 2.17 1.01 0.21 -0.90 121.20 126.95 1mr7 s ILE 134 Ca -0.15 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1mr7 s ILE 134 Cb -0.17 -1.86 0.13 0.00 0.01 0.00 0.00 42.46 40.57 1mr7 s ILE 134 CO 0.07 0.50 1.10 -0.83 0.00 0.00 0.00 174.94 175.78 1mr7 s GLY 135 N 1.29 1.61 0.38 6.18 0.00 0.53 -0.88 107.32 116.42 1mr7 s GLY 135 Ca 0.04 -0.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 1mr7 s GLY 135 CO -0.12 0.35 1.23 1.22 0.00 0.00 0.00 173.10 175.77 1mr7 n ASP 136 N -3.84 2.39 0.00 1.64 10.43 -1.26 -2.54 116.55 123.37 1mr7 n ASP 136 Ca 0.07 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.58 1mr7 n ASP 136 Cb 0.56 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 42.06 1mr7 n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr7 n GLY 137 N 0.87 0.55 3.76 0.44 0.00 0.54 -0.75 105.19 110.60 1mr7 n GLY 137 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1mr7 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr7 s ALA 138 N -2.51 2.26 -0.10 4.61 0.00 -1.05 -3.96 121.76 121.01 1mr7 s ALA 138 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1mr7 s ALA 138 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1mr7 s ALA 138 CO 0.00 -1.68 -0.16 0.42 0.00 0.00 0.00 175.76 174.34 1mr7 s ILE 139 N -2.62 1.53 -0.22 0.00 1.01 0.48 -2.06 121.20 119.32 1mr7 s ILE 139 Ca 0.65 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1mr7 s ILE 139 Cb -0.20 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1mr7 s ILE 139 CO 0.50 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 175.16 1mr7 s VAL 140 N 0.80 3.48 0.56 2.92 1.01 -0.25 -0.56 120.40 128.35 1mr7 s VAL 140 Ca -0.10 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1mr7 s VAL 140 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1mr7 s VAL 140 CO 0.01 0.42 1.27 0.00 0.00 0.00 0.00 175.10 176.80 1mr7 s ALA 141 N 1.40 2.71 0.33 5.51 0.00 0.09 -1.10 121.76 130.70 1mr7 s ALA 141 Ca 0.05 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 1mr7 s ALA 141 Cb -0.14 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.33 1mr7 s ALA 141 CO -0.02 -1.20 0.45 0.00 0.00 0.00 0.00 175.76 174.98 1mr7 n ALA 142 N -1.21 -2.25 -1.11 0.00 0.00 -1.26 -2.15 120.51 112.53 1mr7 n ALA 142 Ca 0.11 0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.78 1mr7 n ALA 142 Cb 0.47 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1mr7 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mr7 n ASN 143 N 1.82 -5.16 -4.76 0.00 3.02 0.05 -4.82 115.26 105.40 1mr7 n ASN 143 Ca 0.13 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 1mr7 n ASN 143 Cb 0.34 -2.99 0.04 0.00 -0.61 0.00 0.00 39.78 36.56 1mr7 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mr7 s SER 144 N -2.20 5.16 -0.25 6.41 0.01 -0.91 -4.72 113.70 117.20 1mr7 s SER 144 Ca 0.00 2.20 0.02 0.00 1.31 0.00 0.00 55.95 59.48 1mr7 s SER 144 Cb 0.00 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.71 1mr7 s SER 144 CO 0.00 -1.60 -0.09 -0.69 0.41 0.00 0.00 173.24 171.27 1mr7 s VAL 145 N -1.94 1.98 -0.34 3.43 1.01 -0.12 -0.85 120.40 123.56 1mr7 s VAL 145 Ca 0.72 -1.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1mr7 s VAL 145 Cb -0.25 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1mr7 s VAL 145 CO 0.36 -0.07 0.40 -0.69 0.00 0.00 0.00 175.10 175.10 1mr7 s VAL 146 N 1.18 5.13 -0.01 2.92 1.01 0.07 -1.08 120.40 129.62 1mr7 s VAL 146 Ca -0.08 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1mr7 s VAL 146 Cb -0.20 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1mr7 s VAL 146 CO -0.05 -0.11 0.08 1.33 0.00 0.00 0.00 175.10 176.34 1mr7 n VAL 147 N 5.28 0.05 -4.54 2.92 0.24 -1.26 -1.86 118.33 119.15 1mr7 n VAL 147 Ca -0.08 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.34 61.85 1mr7 n VAL 147 Cb 0.49 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.93 1mr7 n VAL 147 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mr7 s LYS 148 N -2.26 1.81 0.59 7.34 1.02 -1.26 -4.83 119.74 122.15 1mr7 s LYS 148 Ca -0.02 -1.96 -0.19 0.00 0.02 0.00 0.00 55.97 53.83 1mr7 s LYS 148 Cb 0.02 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1mr7 s LYS 148 CO 0.17 0.07 1.19 -0.51 -0.92 0.00 0.00 175.35 175.35 1mr7 s ASP 149 N -3.61 5.25 -0.10 2.83 1.01 -1.26 -4.76 116.67 116.03 1mr7 s ASP 149 Ca 0.33 2.33 0.04 0.00 0.71 0.00 0.00 52.55 55.96 1mr7 s ASP 149 Cb 0.05 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1mr7 s ASP 149 CO 0.16 -1.55 -0.24 -0.63 0.21 0.00 0.00 175.17 173.13 1mr7 s ILE 150 N -1.68 2.06 0.90 0.77 1.01 -0.08 -4.98 121.20 119.20 1mr7 s ILE 150 Ca 0.76 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1mr7 s ILE 150 Cb -0.29 -1.78 0.13 0.00 0.01 0.00 0.00 42.46 40.54 1mr7 s ILE 150 CO 0.33 0.56 1.10 0.00 0.00 0.00 0.00 174.94 176.93 1mr7 s ALA 151 N 0.36 1.63 0.44 9.38 0.00 -1.26 -0.35 121.76 131.97 1mr7 s ALA 151 Ca -0.18 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1mr7 s ALA 151 Cb -0.18 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1mr7 s ALA 151 CO 0.08 -2.30 1.39 -2.14 0.00 0.00 0.00 175.76 172.79 1mr7 s PRO 152 N -5.07 3.74 -1.48 0.00 0.02 -1.26 -2.78 135.00 128.17 1mr7 s PRO 152 Ca 0.63 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1mr7 s PRO 152 Cb -0.17 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1mr7 s PRO 152 CO 0.56 -0.74 0.00 0.66 -0.33 0.00 0.00 177.00 177.14 1mr7 n TYR 153 N -0.15 -1.15 -3.30 6.54 4.02 0.07 -4.87 117.16 118.33 1mr7 n TYR 153 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.61 1mr7 n TYR 153 Cb 0.42 -3.44 -0.06 0.00 -0.02 0.00 0.00 39.34 36.24 1mr7 n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1mr7 s MET 154 N -5.00 3.91 -0.16 -0.72 -1.94 -1.12 -0.81 119.30 113.47 1mr7 s MET 154 Ca 0.00 0.46 -0.15 0.00 -1.71 0.00 0.00 55.69 54.29 1mr7 s MET 154 Cb 0.00 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.19 1mr7 s MET 154 CO 0.00 0.28 0.34 -1.17 -0.01 0.00 0.00 175.02 174.45 1mr7 s LEU 155 N -2.76 4.24 0.08 -0.03 2.96 -0.08 -0.39 118.68 122.71 1mr7 s LEU 155 Ca 0.49 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 55.00 1mr7 s LEU 155 Cb -0.11 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1mr7 s LEU 155 CO 0.20 0.07 -0.11 0.00 -1.32 0.00 0.00 176.35 175.18 1mr7 s ALA 156 N 0.56 1.03 0.08 5.97 0.00 0.27 -0.07 121.76 129.60 1mr7 s ALA 156 Ca 0.18 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1mr7 s ALA 156 Cb -0.13 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1mr7 s ALA 156 CO 0.05 0.04 0.82 0.20 0.00 0.00 0.00 175.76 176.87 1mr7 s GLY 157 N -2.03 -0.44 0.00 0.00 0.00 -0.46 -0.73 107.32 103.66 1mr7 s GLY 157 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1mr7 s GLY 157 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1mr7 n GLY 158 N -0.33 -1.82 2.61 0.20 0.00 -1.26 -1.22 105.19 103.36 1mr7 n GLY 158 Ca -0.10 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 1mr7 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mr7 s ASN 159 N -0.32 3.68 0.61 1.61 3.84 -1.26 -0.95 114.94 122.15 1mr7 s ASN 159 Ca 0.00 -1.48 -0.13 0.00 0.21 0.00 0.00 52.86 51.46 1mr7 s ASN 159 Cb 0.00 -0.54 -0.04 0.00 -0.55 0.00 0.00 41.25 40.12 1mr7 s ASN 159 CO 0.00 -0.42 1.03 -2.16 -2.79 0.00 0.00 177.10 172.76 1mr7 s PRO 160 N 1.85 3.51 0.04 0.43 0.04 -1.26 -4.99 135.00 134.62 1mr7 s PRO 160 Ca 0.10 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1mr7 s PRO 160 Cb -0.17 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1mr7 s PRO 160 CO -0.30 -0.64 1.31 0.00 0.04 0.00 0.00 177.00 177.41 1mr7 s ALA 161 N -2.92 3.51 0.19 8.56 0.00 -0.24 -4.89 121.76 125.96 1mr7 s ALA 161 Ca 0.58 0.89 0.10 0.00 0.00 0.00 0.00 51.96 53.53 1mr7 s ALA 161 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1mr7 s ALA 161 CO 0.46 -0.67 -0.16 -0.80 0.00 0.00 0.00 175.76 174.59 1mr7 s ASN 162 N 1.39 3.88 0.03 0.00 0.02 -0.36 -4.76 114.94 115.14 1mr7 s ASN 162 Ca 0.61 -0.71 -0.30 0.00 -1.02 0.00 0.00 52.86 51.43 1mr7 s ASN 162 Cb -0.31 -0.51 -0.06 0.00 0.02 0.00 0.00 41.25 40.39 1mr7 s ASN 162 CO 0.28 0.11 1.39 -1.61 0.02 0.00 0.00 177.10 177.28 1mr7 s GLU 163 N -2.78 4.30 -0.22 -0.60 2.02 -1.26 -1.35 118.70 118.81 1mr7 s GLU 163 Ca 0.23 1.98 -0.18 0.00 0.02 0.00 0.00 54.97 57.02 1mr7 s GLU 163 Cb -0.08 -3.49 -0.14 0.00 0.10 0.00 0.00 34.13 30.51 1mr7 s GLU 163 CO 0.13 -0.52 -0.02 -0.89 0.02 0.00 0.00 175.26 173.97 1mr7 n ILE 164 N 4.46 1.52 -3.47 -1.63 5.41 0.90 -4.94 119.36 121.60 1mr7 n ILE 164 Ca 0.12 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1mr7 n ILE 164 Cb 0.44 -2.07 -0.03 0.00 -0.71 0.00 0.00 39.64 37.27 1mr7 n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1mr7 s LYS 165 N -2.42 1.07 0.25 0.38 -2.85 -1.14 -5.02 119.74 110.00 1mr7 s LYS 165 Ca -0.30 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1mr7 s LYS 165 Cb 0.08 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.24 1mr7 s LYS 165 CO 0.50 -0.44 1.43 -0.65 0.10 0.00 0.00 175.35 176.30 1mr7 s GLN 166 N -2.90 4.28 0.17 1.78 -0.21 -1.26 -0.90 119.66 120.62 1mr7 s GLN 166 Ca -0.00 2.28 -0.10 0.00 0.02 0.00 0.00 55.36 57.55 1mr7 s GLN 166 Cb -0.01 -3.12 0.05 0.00 1.00 0.00 0.00 33.01 30.94 1mr7 s GLN 166 CO -0.06 -0.40 1.63 0.00 -2.12 0.00 0.00 175.29 174.33 1mr7 h ARG 167 N 5.03 1.02 -5.05 2.91 3.08 -1.30 -3.46 114.38 116.60 1mr7 h ARG 167 Ca -0.46 -0.33 -0.48 0.00 0.07 0.00 0.00 59.98 58.78 1mr7 h ARG 167 Cb 1.22 -0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.04 1mr7 h ARG 167 CO 0.77 1.01 -0.56 -0.06 -1.07 0.00 0.00 179.97 180.07 1mr7 s PHE 168 N -5.01 1.78 0.52 3.04 0.08 -1.26 -5.11 117.98 112.03 1mr7 s PHE 168 Ca -0.12 -1.18 -0.22 0.00 0.12 0.00 0.00 56.93 55.53 1mr7 s PHE 168 Cb 0.13 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1mr7 s PHE 168 CO 0.85 -0.24 1.29 0.16 -0.10 0.00 0.00 175.22 177.18 1mr7 s ASP 169 N -3.50 5.52 0.42 1.36 -4.77 -1.26 -4.83 116.67 109.61 1mr7 s ASP 169 Ca 0.31 2.61 0.21 0.00 -3.30 0.00 0.00 52.55 52.38 1mr7 s ASP 169 Cb 0.05 -2.62 1.18 0.00 -1.09 0.00 0.00 42.92 40.44 1mr7 s ASP 169 CO 0.15 -1.39 1.75 1.56 0.70 0.00 0.00 175.17 177.95 1mr7 h GLN 170 N 1.59 0.31 -0.19 2.11 1.08 -1.99 -1.63 115.11 116.39 1mr7 h GLN 170 Ca -0.50 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.54 1mr7 h GLN 170 Cb 1.28 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1mr7 h GLN 170 CO 0.58 0.20 -0.42 0.22 -0.95 0.00 0.00 178.83 178.47 1mr7 h ASP 171 N 0.32 0.70 -0.88 1.46 1.82 -2.00 -0.86 116.42 116.98 1mr7 h ASP 171 Ca 0.62 -0.56 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1mr7 h ASP 171 Cb 1.71 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 41.47 1mr7 h ASP 171 CO -0.29 1.13 0.51 0.74 -1.61 0.00 0.00 179.24 179.72 1mr7 h THR 172 N 0.30 1.25 -0.22 2.25 2.02 -1.71 -1.79 112.91 115.01 1mr7 h THR 172 Ca 0.00 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1mr7 h THR 172 Cb 1.02 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1mr7 h THR 172 CO 0.09 0.27 0.12 0.40 0.37 0.00 0.00 175.52 176.78 1mr7 h ILE 173 N 1.23 1.11 -0.69 3.11 2.04 -0.97 -0.78 117.51 122.56 1mr7 h ILE 173 Ca 0.32 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1mr7 h ILE 173 Cb -0.01 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1mr7 h ILE 173 CO -0.06 0.10 0.33 0.78 0.00 0.00 0.00 178.15 179.31 1mr7 h ASN 174 N 0.26 0.89 -0.58 1.72 2.35 -0.88 -0.08 115.58 119.26 1mr7 h ASN 174 Ca 0.08 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1mr7 h ASN 174 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1mr7 h ASN 174 CO -0.01 0.75 0.03 1.56 -1.65 0.00 0.00 177.43 178.11 1mr7 h GLN 175 N 0.98 1.01 -0.55 0.81 4.20 -0.95 0.13 115.11 120.73 1mr7 h GLN 175 Ca 0.24 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1mr7 h GLN 175 Cb 0.10 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1mr7 h GLN 175 CO -0.03 0.98 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.04 1mr7 h LEU 176 N 0.90 0.96 -1.17 1.46 3.38 -0.66 -1.01 115.31 119.16 1mr7 h LEU 176 Ca 0.17 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1mr7 h LEU 176 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mr7 h LEU 176 CO 0.02 1.04 -0.35 -0.07 0.09 0.00 0.00 178.44 179.17 1mr7 h LEU 177 N 0.86 0.11 -0.38 1.67 3.38 -0.79 -1.69 115.31 118.48 1mr7 h LEU 177 Ca 0.16 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1mr7 h LEU 177 Cb 0.55 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1mr7 h LEU 177 CO 0.03 0.46 -0.09 -0.78 0.09 0.00 0.00 178.44 178.15 1mr7 h ASP 178 N 0.10 0.73 0.69 -0.43 3.58 -0.12 -3.35 116.42 117.61 1mr7 h ASP 178 Ca 0.01 -0.36 -0.20 0.00 0.42 0.00 0.00 57.03 56.90 1mr7 h ASP 178 Cb 0.67 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1mr7 h ASP 178 CO 0.05 0.92 -1.43 0.16 -2.88 0.00 0.00 179.24 176.06 1mr7 h ILE 179 N 0.53 0.62 -6.39 2.25 3.07 -0.97 -3.49 117.51 113.13 1mr7 h ILE 179 Ca 0.10 -2.20 -0.38 0.00 1.55 0.00 0.00 64.86 63.93 1mr7 h ILE 179 Cb 0.60 2.15 0.01 0.00 -0.27 0.00 0.00 36.82 39.32 1mr7 h ILE 179 CO 0.04 0.35 -0.82 0.29 -1.05 0.00 0.00 178.15 176.96 1mr7 n LYS 180 N -2.95 -1.36 0.26 0.16 5.02 -0.66 -4.84 118.16 113.80 1mr7 n LYS 180 Ca -0.11 0.85 0.09 0.00 -2.02 0.00 0.00 58.31 57.12 1mr7 n LYS 180 Cb 0.89 -3.31 0.66 0.00 -0.02 0.00 0.00 35.03 33.25 1mr7 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1mr7 h TRP 181 N -0.45 0.00 0.00 2.13 5.08 -1.95 -1.67 115.95 119.09 1mr7 h TRP 181 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1mr7 h TRP 181 Cb 1.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1mr7 h TRP 181 CO 0.24 0.03 0.00 0.11 -1.28 0.00 0.00 178.44 177.54 1mr7 h TRP 182 N 0.00 0.00 -0.07 0.12 0.09 -1.97 -1.26 115.95 112.87 1mr7 h TRP 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1mr7 h TRP 182 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.29 1mr7 h TRP 182 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.44 178.62 1mr7 n ASN 183 N -2.84 2.91 -4.76 0.11 3.02 -0.63 -4.95 115.26 108.13 1mr7 n ASN 183 Ca -0.02 -1.96 -0.34 0.00 -0.03 0.00 0.00 54.58 52.24 1mr7 n ASN 183 Cb 0.09 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1mr7 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mr7 s TRP 184 N -1.94 2.49 0.43 3.10 0.51 -0.48 -4.98 118.94 118.07 1mr7 s TRP 184 Ca 0.30 1.56 -0.23 0.00 -2.12 0.00 0.00 56.10 55.61 1mr7 s TRP 184 Cb 0.20 -3.27 -0.11 0.00 -0.81 0.00 0.00 33.47 29.49 1mr7 s TRP 184 CO 0.30 -1.90 0.86 -2.30 -0.51 0.00 0.00 176.95 173.40 1mr7 n PRO 185 N -2.28 1.05 0.21 4.98 -0.02 -1.26 -4.71 135.00 132.97 1mr7 n PRO 185 Ca 0.11 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1mr7 n PRO 185 Cb 0.51 -1.86 0.44 0.00 -0.02 0.00 0.00 33.50 32.57 1mr7 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mr7 h ILE 186 N 1.24 1.18 0.00 4.25 6.09 -1.97 -0.36 117.51 127.94 1mr7 h ILE 186 Ca -0.43 -0.91 -0.08 0.00 -1.37 0.00 0.00 64.86 62.07 1mr7 h ILE 186 Cb 1.36 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 1mr7 h ILE 186 CO 0.55 0.26 -0.39 -2.24 -3.07 0.00 0.00 178.15 173.26 1mr7 h ASP 187 N 0.00 0.00 0.05 2.19 2.03 -1.97 0.24 116.42 118.97 1mr7 h ASP 187 Ca -0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1mr7 h ASP 187 Cb 0.47 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.99 1mr7 h ASP 187 CO 0.03 0.39 -0.73 0.40 -1.03 0.00 0.00 179.24 178.31 1mr7 h ILE 188 N 0.00 1.44 -0.44 4.15 1.08 -1.60 -2.69 117.51 119.44 1mr7 h ILE 188 Ca -0.00 -2.25 0.07 0.00 -0.39 0.00 0.00 64.86 62.29 1mr7 h ILE 188 Cb 0.82 2.79 -0.06 0.00 -3.07 0.00 0.00 36.82 37.29 1mr7 h ILE 188 CO 0.05 0.65 0.06 0.40 -0.69 0.00 0.00 178.15 178.62 1mr7 h ILE 189 N -0.15 0.73 -0.30 -0.67 2.04 -0.93 -2.33 117.51 115.90 1mr7 h ILE 189 Ca -0.11 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1mr7 h ILE 189 Cb 1.47 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1mr7 h ILE 189 CO 0.14 0.03 0.21 0.78 0.00 0.00 0.00 178.15 179.31 1mr7 h ASN 190 N 0.18 0.12 0.93 1.72 2.35 -0.50 0.44 115.58 120.83 1mr7 h ASN 190 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1mr7 h ASN 190 Cb 0.29 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1mr7 h ASN 190 CO -0.31 0.08 0.00 -0.62 -1.65 0.00 0.00 177.43 174.93 1mr7 n GLU 191 N -4.48 0.06 -0.27 0.81 1.02 -0.89 -4.09 120.64 112.81 1mr7 n GLU 191 Ca 0.03 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1mr7 n GLU 191 Cb 0.28 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1mr7 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mr7 n ASN 192 N -1.68 0.57 -0.10 1.62 3.02 0.10 -4.85 115.26 113.93 1mr7 n ASN 192 Ca 0.05 -1.95 -0.05 0.00 -0.03 0.00 0.00 54.58 52.61 1mr7 n ASN 192 Cb 0.30 -0.18 0.15 0.00 -0.61 0.00 0.00 39.78 39.44 1mr7 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mr7 h ILE 193 N 4.26 1.25 -0.15 2.41 2.04 -1.57 0.21 117.51 125.96 1mr7 h ILE 193 Ca 0.00 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1mr7 h ILE 193 Cb 1.16 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1mr7 h ILE 193 CO 0.00 0.37 -0.17 0.44 0.00 0.00 0.00 178.15 178.79 1mr7 h ASP 194 N 0.73 0.24 1.24 1.72 3.32 -1.89 0.77 116.42 122.55 1mr7 h ASP 194 Ca 0.13 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1mr7 h ASP 194 Cb 0.51 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1mr7 h ASP 194 CO 0.03 0.43 -0.76 0.11 -1.72 0.00 0.00 179.24 177.32 1mr7 h LYS 195 N 0.23 0.00 -0.07 3.56 1.57 -1.67 -2.23 116.57 117.96 1mr7 h LYS 195 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1mr7 h LYS 195 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1mr7 h LYS 195 CO 0.03 0.72 -0.52 0.82 -0.57 0.00 0.00 179.45 179.92 1mr7 h ILE 196 N 0.00 1.36 0.00 1.86 2.04 -0.40 -0.97 117.51 121.40 1mr7 h ILE 196 Ca -0.02 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.01 1mr7 h ILE 196 Cb 1.57 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 1mr7 h ILE 196 CO 0.09 0.53 -0.18 -0.07 0.00 0.00 0.00 178.15 178.52 1mr7 h LEU 197 N 0.16 0.00 -2.39 1.44 3.38 -0.65 -3.25 115.31 114.00 1mr7 h LEU 197 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mr7 h LEU 197 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1mr7 h LEU 197 CO 0.08 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 177.89 1mr7 n ASP 198 N -3.17 2.04 0.00 -0.43 5.75 -0.86 -4.98 116.55 114.90 1mr7 n ASP 198 Ca 0.03 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1mr7 n ASP 198 Cb 0.56 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1mr7 n ASP 198 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1mr7 n ASN 199 N 0.01 -3.88 -0.08 -1.12 4.13 -0.45 -4.87 115.26 108.99 1mr7 n ASN 199 Ca 0.04 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.46 1mr7 n ASN 199 Cb 0.25 -1.57 0.88 0.00 -1.54 0.00 0.00 39.78 37.80 1mr7 n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1mr7 n SER 200 N -0.35 0.25 0.01 6.41 3.41 -0.69 -2.52 113.62 120.15 1mr7 n SER 200 Ca 0.00 -1.09 0.14 0.00 -0.26 0.00 0.00 58.87 57.66 1mr7 n SER 200 Cb 0.17 -0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.72 1mr7 n SER 200 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1mr7 h ILE 201 N 0.40 0.86 0.00 -1.33 3.07 -1.82 -2.34 117.51 116.35 1mr7 h ILE 201 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1mr7 h ILE 201 Cb 0.08 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.29 1mr7 h ILE 201 CO 0.00 0.03 0.00 0.16 -1.05 0.00 0.00 178.15 177.29 1mr7 h ILE 202 N 0.19 0.00 0.00 0.16 3.07 -1.81 -3.52 117.51 115.60 1mr7 h ILE 202 Ca 0.21 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.45 1mr7 h ILE 202 Cb 0.60 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1mr7 h ILE 202 CO -0.03 0.00 0.00 -2.11 -1.05 0.00 0.00 178.15 174.96