#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr9 s PRO 3 N 0.00 0.81 -0.30 1.61 0.04 -1.26 -5.04 135.00 130.86 1mr9 s PRO 3 Ca 0.00 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 1mr9 s PRO 3 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1mr9 s PRO 3 CO 0.00 -2.37 0.19 1.21 0.04 0.00 0.00 177.00 176.07 1mr9 s ASN 4 N -4.31 5.86 0.00 6.66 3.84 -1.26 -5.08 114.94 120.65 1mr9 s ASN 4 Ca 0.67 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1mr9 s ASN 4 Cb -0.11 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1mr9 s ASN 4 CO 0.53 -0.14 0.36 -2.65 -2.79 0.00 0.00 177.10 172.41 1mr9 n PRO 5 N 5.05 0.00 0.00 0.43 -0.02 -1.26 -4.75 135.00 134.45 1mr9 n PRO 5 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1mr9 n PRO 5 Cb 0.51 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1mr9 n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mr9 n LYS 7 N 2.70 0.00 -0.13 -0.52 5.02 -1.26 -4.43 118.16 119.55 1mr9 n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mr9 n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mr9 n LYS 7 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1mr9 n TYR 9 N 0.00 0.00 0.17 2.13 0.53 -1.26 -4.17 117.16 114.56 1mr9 n TYR 9 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.99 1mr9 n TYR 9 Cb 0.00 -0.06 0.61 0.00 -1.03 0.00 0.00 39.34 38.86 1mr9 n TYR 9 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 1mr9 h PRO 10 N 1.01 0.00 -4.69 -0.72 0.13 -1.85 -3.38 132.00 122.50 1mr9 h PRO 10 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1mr9 h PRO 10 Cb 0.10 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.91 1mr9 h PRO 10 CO 0.10 0.00 -0.64 0.42 -0.23 0.00 0.00 178.00 177.65 1mr9 s ILE 11 N -3.57 3.40 0.11 -3.56 1.01 -1.26 -4.80 121.20 112.53 1mr9 s ILE 11 Ca -0.02 -1.36 -0.34 0.00 0.00 0.00 0.00 60.65 58.93 1mr9 s ILE 11 Cb 0.06 -2.99 -0.13 0.00 0.01 0.00 0.00 42.46 39.41 1mr9 s ILE 11 CO 0.20 -0.22 1.65 -1.84 0.00 0.00 0.00 174.94 174.74 1mr9 n GLU 12 N 4.71 2.21 -0.70 2.79 -0.00 -1.26 -1.07 120.64 127.32 1mr9 n GLU 12 Ca -0.11 0.80 0.00 0.00 -0.00 0.00 0.00 57.16 57.84 1mr9 n GLU 12 Cb 0.44 -2.59 0.00 0.00 -0.00 0.00 0.00 31.44 29.28 1mr9 n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mr9 n GLY 13 N 3.66 0.74 3.06 -1.84 0.00 -1.26 -5.02 105.19 104.53 1mr9 n GLY 13 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1mr9 n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mr9 s ASN 14 N -2.46 3.91 -0.17 1.61 3.84 -0.23 -4.99 114.94 116.45 1mr9 s ASN 14 Ca 0.00 -1.12 0.13 0.00 0.21 0.00 0.00 52.86 52.08 1mr9 s ASN 14 Cb 0.00 -1.44 0.68 0.00 -0.55 0.00 0.00 41.25 39.93 1mr9 s ASN 14 CO 0.00 -0.14 1.54 0.29 -2.79 0.00 0.00 177.10 176.00 1mr9 n LYS 15 N 4.54 4.05 -0.09 0.43 4.76 -1.26 -4.44 118.16 126.14 1mr9 n LYS 15 Ca -0.15 -2.61 -0.19 0.00 -2.87 0.00 0.00 58.31 52.49 1mr9 n LYS 15 Cb 0.45 -2.06 -0.06 0.00 -1.84 0.00 0.00 35.03 31.52 1mr9 n LYS 15 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1mr9 n SER 16 N 0.65 1.60 -4.76 4.39 7.64 -1.26 -4.88 113.62 116.99 1mr9 n SER 16 Ca 0.23 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.97 1mr9 n SER 16 Cb 0.98 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 1mr9 n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mr9 s VAL 17 N -2.49 2.48 -0.09 0.44 1.01 -1.26 -1.41 120.40 119.08 1mr9 s VAL 17 Ca -0.28 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1mr9 s VAL 17 Cb 0.09 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1mr9 s VAL 17 CO 0.37 0.09 0.20 -1.10 0.00 0.00 0.00 175.10 174.66 1mr9 s GLN 18 N -1.19 0.10 -0.08 2.72 -0.21 -0.19 -4.55 119.66 116.26 1mr9 s GLN 18 Ca 0.55 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 1mr9 s GLN 18 Cb -0.43 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.39 1mr9 s GLN 18 CO 0.51 -0.24 1.14 -0.06 -2.12 0.00 0.00 175.29 174.52 1mr9 s PHE 19 N 1.89 3.27 0.16 0.91 2.99 -1.26 0.17 117.98 126.11 1mr9 s PHE 19 Ca -0.02 1.32 0.05 0.00 0.00 0.00 0.00 56.93 58.28 1mr9 s PHE 19 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 43.02 39.51 1mr9 s PHE 19 CO -0.07 -1.00 1.37 0.82 -0.00 0.00 0.00 175.22 176.34 1mr9 h ILE 20 N 5.07 1.57 0.53 0.64 2.04 -1.54 -3.36 117.51 122.46 1mr9 h ILE 20 Ca -0.32 -2.86 -0.03 0.00 1.00 0.00 0.00 64.86 62.65 1mr9 h ILE 20 Cb 1.15 2.58 0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1mr9 h ILE 20 CO 0.88 0.82 -0.25 0.50 0.00 0.00 0.00 178.15 180.10 1mr9 h LYS 21 N 0.04 -0.68 0.00 2.37 3.64 -1.77 -2.30 116.57 117.87 1mr9 h LYS 21 Ca -0.03 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1mr9 h LYS 21 Cb 1.56 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1mr9 h LYS 21 CO 0.13 -0.41 -0.02 -1.00 -2.27 0.00 0.00 179.45 175.88 1mr9 h PRO 22 N -0.81 0.00 0.04 1.90 0.13 -1.77 -1.67 132.00 129.82 1mr9 h PRO 22 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1mr9 h PRO 22 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1mr9 h PRO 22 CO 0.12 0.02 -0.02 0.82 -0.23 0.00 0.00 178.00 178.71 1mr9 h ILE 23 N 0.00 1.18 -0.05 -3.56 2.04 -1.57 -3.19 117.51 112.36 1mr9 h ILE 23 Ca -0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1mr9 h ILE 23 Cb 0.10 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1mr9 h ILE 23 CO 0.00 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.70 1mr9 n LEU 24 N -4.75 0.39 -0.02 1.44 4.77 -1.00 -4.38 117.00 113.45 1mr9 n LEU 24 Ca -0.07 -0.17 0.23 0.00 -0.03 0.00 0.00 56.01 55.97 1mr9 n LEU 24 Cb 0.31 -0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.09 1mr9 n LEU 24 CO 0.25 0.09 1.21 -0.08 -1.33 0.00 0.00 177.39 177.53 1mr9 h GLU 25 N 0.50 0.00 0.00 3.23 4.57 -1.29 0.26 114.58 121.85 1mr9 h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mr9 h GLU 25 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mr9 h GLU 25 CO 0.00 0.00 -1.19 1.63 -1.18 0.00 0.00 179.01 178.27 1mr9 n LYS 26 N -3.91 1.21 -1.53 1.92 4.76 -1.26 -4.97 118.16 114.38 1mr9 n LYS 26 Ca 0.12 -0.07 -0.52 0.00 -2.87 0.00 0.00 58.31 54.98 1mr9 n LYS 26 Cb 0.78 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.76 1mr9 n LYS 26 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1mr9 n LEU 27 N -1.68 0.70 -4.78 -0.35 4.77 0.92 -4.92 117.00 111.66 1mr9 n LEU 27 Ca -0.01 1.14 -0.35 0.00 -0.03 0.00 0.00 56.01 56.76 1mr9 n LEU 27 Cb 0.23 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1mr9 n LEU 27 CO 0.20 -1.71 0.77 -1.61 -1.33 0.00 0.00 177.39 173.72 1mr9 s GLU 28 N -0.32 3.55 -1.73 3.23 2.02 -1.26 -3.80 118.70 120.39 1mr9 s GLU 28 Ca 0.77 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.34 1mr9 s GLU 28 Cb -0.98 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1mr9 s GLU 28 CO 0.54 -0.68 0.00 0.09 0.02 0.00 0.00 175.26 175.23 1mr9 n ASN 29 N -1.05 -4.78 -3.90 -0.19 3.02 -1.26 -4.92 115.26 102.17 1mr9 n ASN 29 Ca 0.10 0.31 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 1mr9 n ASN 29 Cb 0.51 -4.20 -0.16 0.00 -0.61 0.00 0.00 39.78 35.33 1mr9 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mr9 s VAL 30 N -2.62 1.43 -0.14 2.41 1.01 -1.25 -1.94 120.40 119.31 1mr9 s VAL 30 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 1mr9 s VAL 30 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1mr9 s VAL 30 CO 0.00 -0.22 0.24 -0.70 0.00 0.00 0.00 175.10 174.42 1mr9 s GLU 31 N 1.42 4.02 -0.02 2.72 2.12 -0.60 -4.85 118.70 123.51 1mr9 s GLU 31 Ca -0.02 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.34 1mr9 s GLU 31 Cb -0.19 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1mr9 s GLU 31 CO -0.09 0.42 -0.05 0.08 -0.54 0.00 0.00 175.26 175.09 1mr9 s VAL 32 N -0.07 0.48 0.55 3.70 1.01 -1.26 -1.47 120.40 123.33 1mr9 s VAL 32 Ca 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1mr9 s VAL 32 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1mr9 s VAL 32 CO 0.04 0.17 0.88 -0.83 0.00 0.00 0.00 175.10 175.35 1mr9 s GLY 33 N 0.26 1.56 0.53 4.51 0.00 -0.43 -4.77 107.32 108.98 1mr9 s GLY 33 Ca -0.03 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 1mr9 s GLY 33 CO -0.00 -0.22 1.08 -1.83 0.00 0.00 0.00 173.10 172.12 1mr9 s GLU 34 N -4.92 3.52 0.00 2.90 1.03 -1.26 -3.74 118.70 116.22 1mr9 s GLU 34 Ca 0.51 1.44 0.00 0.00 0.03 0.00 0.00 54.97 56.95 1mr9 s GLU 34 Cb -0.11 -2.04 0.00 0.00 -0.80 0.00 0.00 34.13 31.18 1mr9 s GLU 34 CO 0.47 -0.68 0.00 0.66 -1.33 0.00 0.00 175.26 174.38 1mr9 n TYR 35 N -1.30 0.00 -1.72 4.83 0.53 -1.26 -2.72 117.16 115.52 1mr9 n TYR 35 Ca 0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.56 1mr9 n TYR 35 Cb 0.52 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.82 1mr9 n TYR 35 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1mr9 n SER 36 N 0.80 3.13 -3.97 7.72 7.64 -1.25 -4.73 113.62 122.97 1mr9 n SER 36 Ca 0.00 1.20 -0.08 0.00 1.01 0.00 0.00 58.87 61.00 1mr9 n SER 36 Cb 0.00 -1.53 -0.08 0.00 -1.01 0.00 0.00 64.21 61.59 1mr9 n SER 36 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1mr9 s TYR 37 N -0.94 0.35 -0.01 1.43 -0.85 -0.63 -1.35 117.35 115.35 1mr9 s TYR 37 Ca 0.56 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 1mr9 s TYR 37 Cb -0.54 -0.22 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 1mr9 s TYR 37 CO 0.61 -0.49 -0.14 -0.47 -1.52 0.00 0.00 175.55 173.54 1mr9 s TYR 38 N -3.90 1.30 -0.26 -3.49 5.04 0.13 -1.36 117.35 114.80 1mr9 s TYR 38 Ca 0.08 -0.25 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 1mr9 s TYR 38 Cb 0.06 -0.84 -0.04 0.00 0.35 0.00 0.00 41.96 41.49 1mr9 s TYR 38 CO -0.09 -0.03 0.12 0.34 -1.34 0.00 0.00 175.55 174.55 1mr9 s ASP 39 N -0.31 5.57 0.37 4.32 2.15 -1.11 -1.03 116.67 126.64 1mr9 s ASP 39 Ca 0.05 -0.09 -0.26 0.00 0.43 0.00 0.00 52.55 52.68 1mr9 s ASP 39 Cb -0.06 -2.01 -0.09 0.00 -0.30 0.00 0.00 42.92 40.46 1mr9 s ASP 39 CO -0.00 -0.02 1.11 -0.55 -0.17 0.00 0.00 175.17 175.53 1mr9 s SER 40 N 1.58 6.77 0.00 -0.34 0.15 -0.50 -3.22 113.70 118.14 1mr9 s SER 40 Ca 0.06 2.21 0.00 0.00 0.70 0.00 0.00 55.95 58.93 1mr9 s SER 40 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1mr9 s SER 40 CO 0.07 -0.49 0.00 1.17 1.20 0.00 0.00 173.24 175.19 1mr9 n LYS 41 N 0.26 0.00 -1.11 5.44 4.81 -1.26 -4.67 118.16 121.63 1mr9 n LYS 41 Ca 0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.30 1mr9 n LYS 41 Cb 0.47 -0.06 0.17 0.00 0.02 0.00 0.00 35.03 35.63 1mr9 n LYS 41 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1mr9 n ASN 42 N 0.00 3.70 0.00 3.14 2.85 -1.26 -4.83 115.26 118.87 1mr9 n ASN 42 Ca 0.00 -3.72 0.00 0.00 -0.11 0.00 0.00 54.58 50.75 1mr9 n ASN 42 Cb 0.00 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.28 1mr9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mr9 n GLY 43 N -1.09 0.66 3.63 8.20 0.00 -1.26 -5.09 105.19 110.23 1mr9 n GLY 43 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1mr9 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mr9 s GLU 44 N -0.66 0.54 0.17 1.61 2.02 -1.26 -5.06 118.70 116.05 1mr9 s GLU 44 Ca 0.00 1.27 0.09 0.00 0.02 0.00 0.00 54.97 56.35 1mr9 s GLU 44 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1mr9 s GLU 44 CO 0.00 -2.87 -0.14 0.95 0.02 0.00 0.00 175.26 173.22 1mr9 s THR 45 N -2.63 2.97 0.29 3.63 -4.23 -1.26 -4.71 115.64 109.69 1mr9 s THR 45 Ca 0.67 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1mr9 s THR 45 Cb -0.23 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1mr9 s THR 45 CO 0.60 -0.06 1.74 0.15 -0.54 0.00 0.00 174.62 176.51 1mr9 h PHE 46 N 3.15 0.56 -0.98 3.99 3.57 -1.97 -0.09 116.94 125.17 1mr9 h PHE 46 Ca -0.47 -0.11 0.33 0.00 3.53 0.00 0.00 57.97 61.25 1mr9 h PHE 46 Cb 1.20 -0.14 -0.16 0.00 2.79 0.00 0.00 35.95 39.63 1mr9 h PHE 46 CO 0.65 0.68 0.44 0.38 -2.23 0.00 0.00 178.31 178.22 1mr9 h ASP 47 N 0.45 0.25 0.00 0.41 2.03 -1.96 1.14 116.42 118.74 1mr9 h ASP 47 Ca 0.07 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1mr9 h ASP 47 Cb 0.61 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1mr9 h ASP 47 CO 0.04 -0.26 0.00 0.29 -1.03 0.00 0.00 179.24 178.29 1mr9 n LYS 48 N -5.20 0.66 -0.12 4.15 5.02 -0.05 -1.66 118.16 120.96 1mr9 n LYS 48 Ca 0.31 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 1mr9 n LYS 48 Cb 0.99 -1.27 0.12 0.00 -0.02 0.00 0.00 35.03 34.85 1mr9 n LYS 48 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1mr9 n GLN 49 N -0.77 2.03 -3.71 1.97 1.13 0.39 -4.89 117.38 113.54 1mr9 n GLN 49 Ca 0.09 -1.77 -0.38 0.00 -1.94 0.00 0.00 57.00 52.99 1mr9 n GLN 49 Cb 0.04 -1.27 -0.12 0.00 0.11 0.00 0.00 30.24 29.00 1mr9 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mr9 s ILE 50 N -1.01 4.22 -0.02 5.09 1.01 -0.67 -1.64 121.20 128.19 1mr9 s ILE 50 Ca 0.21 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1mr9 s ILE 50 Cb 0.12 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1mr9 s ILE 50 CO 0.17 0.02 -0.23 -0.76 0.00 0.00 0.00 174.94 174.14 1mr9 s LEU 51 N 1.53 2.26 -1.26 2.97 1.43 -0.43 -4.63 118.68 120.56 1mr9 s LEU 51 Ca 0.03 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1mr9 s LEU 51 Cb -0.17 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1mr9 s LEU 51 CO 0.04 0.32 0.76 -1.22 0.23 0.00 0.00 176.35 176.48 1mr9 n TYR 52 N 2.31 -1.99 -3.62 0.29 4.02 -1.26 -4.48 117.16 112.43 1mr9 n TYR 52 Ca -0.16 0.82 -0.39 0.00 -0.01 0.00 0.00 57.90 58.16 1mr9 n TYR 52 Cb 0.51 -4.37 -0.07 0.00 -0.02 0.00 0.00 39.34 35.39 1mr9 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mr9 s HIS 53 N -3.60 3.56 -0.40 -0.72 2.46 -1.26 -1.04 115.29 114.30 1mr9 s HIS 53 Ca 0.08 -2.63 -0.15 0.00 0.47 0.00 0.00 55.06 52.83 1mr9 s HIS 53 Cb -0.02 -3.34 0.01 0.00 -0.13 0.00 0.00 32.58 29.11 1mr9 s HIS 53 CO 0.80 -0.85 0.34 0.71 -2.47 0.00 0.00 174.74 173.26 1mr9 s TYR 54 N -0.27 3.22 0.66 3.88 2.02 -1.26 -4.92 117.35 120.68 1mr9 s TYR 54 Ca 0.19 -0.45 0.16 0.00 -0.37 0.00 0.00 57.07 56.60 1mr9 s TYR 54 Cb -0.16 -2.67 0.87 0.00 -0.40 0.00 0.00 41.96 39.61 1mr9 s TYR 54 CO -0.06 -0.59 1.49 -1.35 -1.57 0.00 0.00 175.55 173.48 1mr9 h PRO 55 N 8.63 0.00 0.00 -1.71 0.11 -1.95 0.39 132.00 137.47 1mr9 h PRO 55 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1mr9 h PRO 55 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1mr9 h PRO 55 CO 0.74 0.00 -0.16 0.97 -0.21 0.00 0.00 178.00 179.34 1mr9 h ILE 56 N 0.00 0.22 -0.00 4.15 2.10 -1.98 -3.19 117.51 118.81 1mr9 h ILE 56 Ca 0.01 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.63 1mr9 h ILE 56 Cb 1.30 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 39.13 1mr9 h ILE 56 CO -0.00 0.13 -0.45 0.18 -1.08 0.00 0.00 178.15 176.93 1mr9 n LEU 57 N -3.12 0.69 -0.11 2.19 4.77 0.14 -4.94 117.00 116.61 1mr9 n LEU 57 Ca 0.03 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1mr9 n LEU 57 Cb 0.59 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1mr9 n LEU 57 CO 0.36 0.15 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.36 1mr9 n ASN 58 N -1.23 -4.05 -4.86 -1.43 2.85 -1.21 -5.00 115.26 100.33 1mr9 n ASN 58 Ca 0.07 0.04 -0.34 0.00 -0.11 0.00 0.00 54.58 54.25 1mr9 n ASN 58 Cb 0.34 -1.68 -0.05 0.00 1.24 0.00 0.00 39.78 39.63 1mr9 n ASN 58 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1mr9 s ASP 59 N -2.18 6.69 0.49 1.20 -4.77 -1.26 -5.03 116.67 111.81 1mr9 s ASP 59 Ca 0.00 0.92 0.03 0.00 -3.30 0.00 0.00 52.55 50.21 1mr9 s ASP 59 Cb 0.00 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.58 1mr9 s ASP 59 CO 0.00 0.04 0.10 -0.54 0.70 0.00 0.00 175.17 175.47 1mr9 s LYS 60 N -2.35 2.17 -0.28 2.11 1.02 -1.26 -4.92 119.74 116.24 1mr9 s LYS 60 Ca 0.41 -2.23 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 1mr9 s LYS 60 Cb -0.13 -1.70 0.14 0.00 -0.52 0.00 0.00 37.83 35.61 1mr9 s LYS 60 CO 0.20 -0.33 0.31 -1.17 -0.92 0.00 0.00 175.35 173.44 1mr9 s LEU 61 N -3.93 -0.35 -0.21 3.17 2.96 -0.82 -1.82 118.68 117.68 1mr9 s LEU 61 Ca 0.19 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1mr9 s LEU 61 Cb 0.02 0.65 -0.05 0.00 0.50 0.00 0.00 46.19 47.31 1mr9 s LEU 61 CO 0.11 -0.37 0.13 -0.54 -1.32 0.00 0.00 176.35 174.36 1mr9 s LYS 62 N 2.40 4.14 -0.14 1.98 1.02 0.26 -1.56 119.74 127.84 1mr9 s LYS 62 Ca 0.09 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.86 1mr9 s LYS 62 Cb -0.14 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1mr9 s LYS 62 CO -0.29 0.25 -0.20 0.42 -0.92 0.00 0.00 175.35 174.61 1mr9 s ILE 63 N 0.50 2.25 0.00 2.17 1.01 -0.54 0.18 121.20 126.77 1mr9 s ILE 63 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1mr9 s ILE 63 Cb -0.12 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1mr9 s ILE 63 CO -0.01 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1mr9 n GLY 64 N 4.05 -2.09 3.91 6.18 0.00 0.17 -1.31 105.19 116.10 1mr9 n GLY 64 Ca -0.20 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 1mr9 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mr9 s LYS 65 N -0.91 3.08 -1.37 1.61 1.02 -1.24 -3.34 119.74 118.58 1mr9 s LYS 65 Ca 0.00 -1.01 -0.13 0.00 0.02 0.00 0.00 55.97 54.85 1mr9 s LYS 65 Cb 0.00 -2.70 0.11 0.00 -0.52 0.00 0.00 37.83 34.72 1mr9 s LYS 65 CO 0.00 0.26 0.56 1.19 -0.92 0.00 0.00 175.35 176.44 1mr9 n PHE 66 N -1.40 -1.73 -3.01 3.18 3.72 -1.10 0.95 117.46 118.07 1mr9 n PHE 66 Ca -0.05 0.56 -0.32 0.00 -0.05 0.00 0.00 57.45 57.59 1mr9 n PHE 66 Cb 0.58 -2.67 -0.05 0.00 -0.94 0.00 0.00 39.48 36.40 1mr9 n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mr9 s SER 68 N -2.65 3.83 -0.16 0.00 0.01 -0.51 -1.61 113.70 112.62 1mr9 s SER 68 Ca 0.53 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 1mr9 s SER 68 Cb -0.10 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1mr9 s SER 68 CO 0.23 -0.01 -0.04 -0.63 0.41 0.00 0.00 173.24 173.20 1mr9 s ILE 69 N 1.38 3.83 0.61 1.44 -1.09 -0.47 -0.84 121.20 126.07 1mr9 s ILE 69 Ca 0.05 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.05 1mr9 s ILE 69 Cb -0.14 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1mr9 s ILE 69 CO -0.07 0.49 0.90 -0.83 -1.23 0.00 0.00 174.94 174.20 1mr9 s GLY 70 N 0.43 1.66 0.24 6.18 0.00 -0.78 -2.77 107.32 112.28 1mr9 s GLY 70 Ca -0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.46 1mr9 s GLY 70 CO 0.03 -0.59 1.62 -1.55 0.00 0.00 0.00 173.10 172.62 1mr9 n PRO 71 N -2.63 2.60 -0.88 2.90 -0.04 -1.20 -2.49 135.00 133.28 1mr9 n PRO 71 Ca 0.06 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 1mr9 n PRO 71 Cb 0.59 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1mr9 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mr9 n GLY 72 N 2.98 0.70 3.73 0.55 0.00 -1.26 -1.59 105.19 110.29 1mr9 n GLY 72 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1mr9 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mr9 n VAL 73 N -2.56 4.67 -3.74 1.61 0.31 -1.04 -4.01 118.33 113.57 1mr9 n VAL 73 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.69 1mr9 n VAL 73 Cb 0.00 -1.51 -0.15 0.00 -0.91 0.00 0.00 33.84 31.27 1mr9 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1mr9 s THR 74 N -1.37 -0.08 -0.26 2.52 2.01 -0.93 -4.84 115.64 112.70 1mr9 s THR 74 Ca 0.80 0.22 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1mr9 s THR 74 Cb -0.39 -0.22 0.05 0.00 0.01 0.00 0.00 72.50 71.95 1mr9 s THR 74 CO 0.42 0.09 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.74 1mr9 s ILE 75 N 1.33 2.55 0.12 1.82 1.01 -0.65 -1.18 121.20 126.20 1mr9 s ILE 75 Ca -0.07 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.25 1mr9 s ILE 75 Cb -0.12 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1mr9 s ILE 75 CO -0.05 0.05 0.08 -0.63 0.00 0.00 0.00 174.94 174.39 1mr9 s ILE 76 N 1.21 4.37 -0.92 2.92 -1.09 -0.67 -1.31 121.20 125.71 1mr9 s ILE 76 Ca -0.05 -0.98 0.27 0.00 -2.23 0.00 0.00 60.65 57.66 1mr9 s ILE 76 Cb -0.19 -3.16 0.14 0.00 -1.58 0.00 0.00 42.46 37.68 1mr9 s ILE 76 CO -0.04 0.01 1.67 0.59 -1.23 0.00 0.00 174.94 175.93 1mr9 n ASN 78 N 0.10 0.35 0.00 3.58 3.02 -1.25 -1.06 115.26 120.00 1mr9 n ASN 78 Ca -0.09 0.22 0.06 0.00 -0.03 0.00 0.00 54.58 54.74 1mr9 n ASN 78 Cb 0.53 -0.21 0.35 0.00 -0.61 0.00 0.00 39.78 39.84 1mr9 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr9 n GLY 79 N 1.46 -0.58 0.82 7.41 0.00 -0.20 -2.33 105.19 111.76 1mr9 n GLY 79 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1mr9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 n ALA 80 N -1.17 2.99 -2.72 4.61 0.00 -1.26 -4.92 120.51 118.04 1mr9 n ALA 80 Ca 0.08 -2.40 -0.33 0.00 0.00 0.00 0.00 53.44 50.79 1mr9 n ALA 80 Cb 0.08 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1mr9 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mr9 s ASN 81 N -2.08 5.36 0.83 0.00 0.01 -0.98 -5.12 114.94 112.96 1mr9 s ASN 81 Ca 0.41 0.08 -0.09 0.00 -0.71 0.00 0.00 52.86 52.55 1mr9 s ASN 81 Cb 0.34 -1.48 0.15 0.00 0.41 0.00 0.00 41.25 40.67 1mr9 s ASN 81 CO 0.08 0.29 1.15 -1.00 -1.51 0.00 0.00 177.10 176.11 1mr9 s HIS 82 N -1.09 1.78 0.74 2.20 3.76 -1.26 -4.91 115.29 116.51 1mr9 s HIS 82 Ca 0.20 0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 55.13 1mr9 s HIS 82 Cb -0.12 -3.55 0.07 0.00 1.11 0.00 0.00 32.58 30.09 1mr9 s HIS 82 CO 0.10 -2.11 1.07 0.50 -0.85 0.00 0.00 174.74 173.45 1mr9 s ARG 83 N -5.51 2.10 0.00 1.40 3.52 -1.26 -4.47 118.95 114.74 1mr9 s ARG 83 Ca 0.69 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1mr9 s ARG 83 Cb -0.05 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1mr9 s ARG 83 CO 0.48 -1.36 0.00 -0.40 -0.81 0.00 0.00 175.30 173.21 1mr9 n ASP 85 N -3.05 0.00 0.00 -2.12 5.75 -1.26 -3.78 116.55 112.09 1mr9 n ASP 85 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1mr9 n ASP 85 Cb 0.61 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1mr9 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mr9 n GLY 86 N -0.10 4.33 3.75 6.12 0.00 -1.26 -5.12 105.19 112.92 1mr9 n GLY 86 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1mr9 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mr9 s SER 87 N 1.14 6.90 0.00 1.61 0.15 -1.26 -4.92 113.70 117.32 1mr9 s SER 87 Ca 0.00 2.51 0.28 0.00 0.70 0.00 0.00 55.95 59.44 1mr9 s SER 87 Cb 0.00 -2.63 1.15 0.00 -1.71 0.00 0.00 66.02 62.84 1mr9 s SER 87 CO 0.00 -0.47 1.83 0.35 1.20 0.00 0.00 173.24 176.15 1mr9 n THR 88 N 1.62 0.00 -1.88 6.45 -2.24 -1.25 -4.70 114.28 112.28 1mr9 n THR 88 Ca 0.02 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1mr9 n THR 88 Cb 0.43 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1mr9 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mr9 s TYR 89 N -2.66 2.41 -1.49 4.78 6.14 -1.26 -4.64 117.35 120.63 1mr9 s TYR 89 Ca 0.23 0.27 -0.11 0.00 0.64 0.00 0.00 57.07 58.10 1mr9 s TYR 89 Cb 0.19 -4.01 0.02 0.00 0.42 0.00 0.00 41.96 38.58 1mr9 s TYR 89 CO 0.52 -4.06 2.49 -0.35 0.64 0.00 0.00 175.55 174.78 1mr9 n PRO 90 N 5.48 3.48 -0.44 4.97 -0.04 -1.26 -4.73 135.00 142.46 1mr9 n PRO 90 Ca 0.16 -2.66 0.36 0.00 -0.04 0.00 0.00 63.50 61.32 1mr9 n PRO 90 Cb 0.40 -2.98 0.58 0.00 -0.04 0.00 0.00 33.50 31.46 1mr9 n PRO 90 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1mr9 n PHE 91 N 4.34 0.41 1.57 0.54 3.01 -1.26 -0.23 117.46 125.84 1mr9 n PHE 91 Ca 0.62 0.41 0.15 0.00 1.01 0.00 0.00 57.45 59.65 1mr9 n PHE 91 Cb 0.31 -0.82 0.78 0.00 -0.01 0.00 0.00 39.48 39.73 1mr9 n PHE 91 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1mr9 n ASN 92 N -4.10 0.10 -0.04 4.37 6.94 -1.26 -3.44 115.26 117.83 1mr9 n ASN 92 Ca 0.34 -0.45 -0.12 0.00 -0.02 0.00 0.00 54.58 54.33 1mr9 n ASN 92 Cb 1.37 -0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 38.55 1mr9 n ASN 92 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1mr9 h LEU 93 N 0.13 0.20 -2.13 -4.53 3.38 -0.93 -3.36 115.31 108.07 1mr9 h LEU 93 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1mr9 h LEU 93 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1mr9 h LEU 93 CO 0.00 0.48 0.00 0.49 0.09 0.00 0.00 178.44 179.50 1mr9 n PHE 94 N -4.79 0.89 -1.19 1.13 3.01 -1.22 -4.99 117.46 110.30 1mr9 n PHE 94 Ca -0.06 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1mr9 n PHE 94 Cb 0.22 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1mr9 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mr9 n GLY 95 N 1.09 2.59 4.05 1.37 0.00 -1.26 -4.85 105.19 108.18 1mr9 n GLY 95 Ca 0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1mr9 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mr9 n ASN 96 N 1.24 -4.23 0.00 1.61 3.02 -1.26 -1.51 115.26 114.13 1mr9 n ASN 96 Ca 0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1mr9 n ASN 96 Cb 0.00 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1mr9 n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr9 n GLY 97 N -1.57 0.67 0.97 7.41 0.00 -1.26 -4.91 105.19 106.51 1mr9 n GLY 97 Ca 0.06 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1mr9 n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mr9 n TRP 98 N -2.57 0.59 -0.02 1.61 8.01 -0.57 -4.49 117.44 120.01 1mr9 n TRP 98 Ca 0.00 -0.39 -0.03 0.00 -1.31 0.00 0.00 57.50 55.77 1mr9 n TRP 98 Cb 0.00 -0.01 0.21 0.00 -2.01 0.00 0.00 31.31 29.50 1mr9 n TRP 98 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1mr9 h GLU 99 N 3.36 0.56 -0.57 -0.99 3.07 -1.84 -2.83 114.58 115.34 1mr9 h GLU 99 Ca 0.00 -0.18 0.17 0.00 -0.50 0.00 0.00 59.36 58.85 1mr9 h GLU 99 Cb 0.85 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1mr9 h GLU 99 CO 0.00 0.69 0.54 0.87 -1.40 0.00 0.00 179.01 179.72 1mr9 h LYS 100 N 0.51 0.00 -5.09 2.33 1.57 -1.96 -3.47 116.57 110.47 1mr9 h LYS 100 Ca 0.09 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.19 1mr9 h LYS 100 Cb 0.55 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.69 1mr9 h LYS 100 CO 0.04 0.00 0.01 -1.01 -0.57 0.00 0.00 179.45 177.92 1mr9 s HIS 101 N -4.70 3.08 -0.15 -1.35 3.76 -1.07 -5.07 115.29 109.79 1mr9 s HIS 101 Ca -0.04 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1mr9 s HIS 101 Cb 0.17 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1mr9 s HIS 101 CO 0.60 -0.90 -0.17 -2.14 -0.85 0.00 0.00 174.74 171.28 1mr9 s PRO 103 N 2.57 3.15 0.47 8.40 0.02 -1.26 -4.73 135.00 143.63 1mr9 s PRO 103 Ca 0.17 -0.78 -0.23 0.00 0.02 0.00 0.00 61.00 60.18 1mr9 s PRO 103 Cb -0.17 -2.57 -0.07 0.00 0.02 0.00 0.00 34.50 31.71 1mr9 s PRO 103 CO 0.15 -0.00 1.20 -1.59 -0.33 0.00 0.00 177.00 176.42 1mr9 s LYS 104 N 0.84 3.67 0.10 5.54 0.00 -1.26 -4.95 119.74 123.69 1mr9 s LYS 104 Ca -0.05 1.87 -0.22 0.00 0.00 0.00 0.00 55.97 57.56 1mr9 s LYS 104 Cb -0.15 -2.40 -0.06 0.00 0.00 0.00 0.00 37.83 35.22 1mr9 s LYS 104 CO -0.01 -0.65 1.38 -0.07 0.00 0.00 0.00 175.35 175.99 1mr9 h LEU 105 N 1.99 -1.43 -0.26 2.77 3.38 -2.00 0.94 115.31 120.70 1mr9 h LEU 105 Ca -0.50 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1mr9 h LEU 105 Cb 1.26 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1mr9 h LEU 105 CO 0.60 -0.20 0.09 -0.90 0.09 0.00 0.00 178.44 178.12 1mr9 n ASP 106 N -4.55 0.10 0.18 -0.43 5.68 -1.26 0.12 116.55 116.38 1mr9 n ASP 106 Ca 0.00 0.47 0.08 0.00 -0.50 0.00 0.00 54.79 54.84 1mr9 n ASP 106 Cb 0.20 -0.48 0.11 0.00 -1.14 0.00 0.00 41.12 39.81 1mr9 n ASP 106 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1mr9 h GLN 107 N 0.00 0.00 -7.46 0.11 4.20 -1.17 -3.46 115.11 107.33 1mr9 h GLN 107 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1mr9 h GLN 107 Cb 0.18 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.04 1mr9 h GLN 107 CO 0.00 0.23 0.39 -0.51 -0.67 0.00 0.00 178.83 178.28 1mr9 s LEU 108 N -6.33 2.89 0.34 1.46 1.43 0.31 -4.78 118.68 114.00 1mr9 s LEU 108 Ca 0.06 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.95 1mr9 s LEU 108 Cb 0.06 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1mr9 s LEU 108 CO 0.70 -1.37 1.05 -2.84 0.23 0.00 0.00 176.35 174.12 1mr9 s PRO 109 N -5.35 4.39 -0.46 1.29 0.02 -1.26 -5.03 135.00 128.60 1mr9 s PRO 109 Ca 0.58 1.59 0.03 0.00 0.02 0.00 0.00 61.00 63.23 1mr9 s PRO 109 Cb -0.11 -2.82 0.16 0.00 0.02 0.00 0.00 34.50 31.75 1mr9 s PRO 109 CO 0.51 0.05 0.33 0.42 -0.33 0.00 0.00 177.00 177.98 1mr9 s ILE 110 N -1.46 1.00 -0.51 2.83 1.01 -1.26 -4.94 121.20 117.86 1mr9 s ILE 110 Ca 0.52 -2.81 0.22 0.00 0.00 0.00 0.00 60.65 58.58 1mr9 s ILE 110 Cb -0.25 -1.69 0.23 0.00 0.01 0.00 0.00 42.46 40.76 1mr9 s ILE 110 CO 0.32 -1.09 1.67 0.29 0.00 0.00 0.00 174.94 176.13 1mr9 n LYS 111 N 2.99 0.17 0.00 2.79 5.02 -1.26 -4.97 118.16 122.90 1mr9 n LYS 111 Ca 0.21 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1mr9 n LYS 111 Cb 0.41 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1mr9 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mr9 n GLY 112 N -0.17 -1.71 3.59 0.72 0.00 -1.26 -4.47 105.19 101.88 1mr9 n GLY 112 Ca 0.02 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1mr9 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mr9 n ASP 113 N 0.24 -0.50 -4.10 1.61 8.00 -1.26 -3.54 116.55 117.00 1mr9 n ASP 113 Ca 0.00 0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 1mr9 n ASP 113 Cb 0.00 -1.39 -0.16 0.00 -0.02 0.00 0.00 41.12 39.55 1mr9 n ASP 113 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1mr9 s THR 114 N -2.54 1.91 -0.20 -3.53 2.01 -0.76 -3.46 115.64 109.07 1mr9 s THR 114 Ca 0.67 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1mr9 s THR 114 Cb -0.24 -1.73 0.05 0.00 0.01 0.00 0.00 72.50 70.59 1mr9 s THR 114 CO 0.61 0.52 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.34 1mr9 s ILE 115 N 1.24 1.55 -0.03 1.82 1.01 0.62 -0.57 121.20 126.84 1mr9 s ILE 115 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1mr9 s ILE 115 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1mr9 s ILE 115 CO -0.10 0.11 -0.03 -0.63 0.00 0.00 0.00 174.94 174.29 1mr9 s ILE 116 N 1.43 3.93 0.00 2.92 1.01 0.13 0.12 121.20 130.74 1mr9 s ILE 116 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1mr9 s ILE 116 Cb -0.17 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1mr9 s ILE 116 CO -0.08 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1mr9 n GLY 117 N 1.75 0.71 3.83 6.18 0.00 -0.82 0.42 105.19 117.26 1mr9 n GLY 117 Ca -0.16 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1mr9 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mr9 s ASN 118 N -1.00 6.92 -1.13 1.61 -0.87 -1.26 -2.00 114.94 117.21 1mr9 s ASN 118 Ca 0.00 1.27 -0.05 0.00 -1.57 0.00 0.00 52.86 52.51 1mr9 s ASN 118 Cb 0.00 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 1mr9 s ASN 118 CO 0.00 0.01 0.91 -0.67 -2.57 0.00 0.00 177.10 174.79 1mr9 n ASP 119 N 0.55 -4.66 -4.12 -1.22 4.64 0.27 -1.61 116.55 110.39 1mr9 n ASP 119 Ca -0.02 -0.72 -0.27 0.00 -1.38 0.00 0.00 54.79 52.40 1mr9 n ASP 119 Cb 0.52 -4.93 -0.16 0.00 -1.04 0.00 0.00 41.12 35.50 1mr9 n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mr9 s VAL 120 N -3.41 1.47 -0.35 5.18 1.01 -1.26 -0.57 120.40 122.47 1mr9 s VAL 120 Ca 0.28 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1mr9 s VAL 120 Cb -0.05 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1mr9 s VAL 120 CO 0.75 0.42 0.09 0.86 0.00 0.00 0.00 175.10 177.23 1mr9 s TRP 121 N 0.22 3.42 -0.17 5.22 -0.00 -1.13 -1.42 118.94 125.09 1mr9 s TRP 121 Ca -0.08 -2.12 -0.12 0.00 -0.00 0.00 0.00 56.10 53.78 1mr9 s TRP 121 Cb -0.13 -2.60 -0.05 0.00 -0.00 0.00 0.00 33.47 30.69 1mr9 s TRP 121 CO 0.04 -0.87 0.21 0.42 -0.00 0.00 0.00 176.95 176.75 1mr9 s ILE 122 N 1.20 5.36 1.22 5.86 -1.09 -0.02 -2.07 121.20 131.66 1mr9 s ILE 122 Ca 0.01 0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 1mr9 s ILE 122 Cb -0.21 -3.54 0.29 0.00 -1.58 0.00 0.00 42.46 37.42 1mr9 s ILE 122 CO -0.02 0.44 1.04 -0.83 -1.23 0.00 0.00 174.94 174.33 1mr9 s GLY 123 N 0.20 1.52 0.12 6.18 0.00 0.95 -1.87 107.32 114.41 1mr9 s GLY 123 Ca 0.13 -0.62 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 1mr9 s GLY 123 CO 0.02 0.22 1.09 1.25 0.00 0.00 0.00 173.10 175.68 1mr9 s LYS 124 N -5.00 4.56 -1.20 2.90 2.20 -1.26 -3.62 119.74 118.32 1mr9 s LYS 124 Ca 0.69 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 1mr9 s LYS 124 Cb -0.16 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1mr9 s LYS 124 CO 0.59 -0.01 0.00 -0.25 -0.36 0.00 0.00 175.35 175.32 1mr9 n ASP 125 N 3.02 -4.63 -4.76 1.43 8.00 -0.62 -0.49 116.55 118.50 1mr9 n ASP 125 Ca 0.05 0.28 -0.38 0.00 0.71 0.00 0.00 54.79 55.45 1mr9 n ASP 125 Cb 0.47 -3.12 0.03 0.00 -0.02 0.00 0.00 41.12 38.47 1mr9 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mr9 s VAL 126 N -2.33 2.44 -0.33 2.53 1.01 -1.24 -3.89 120.40 118.58 1mr9 s VAL 126 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1mr9 s VAL 126 Cb 0.00 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1mr9 s VAL 126 CO 0.00 -0.01 0.04 -0.69 0.00 0.00 0.00 175.10 174.44 1mr9 s VAL 127 N -1.41 2.47 1.03 2.92 1.01 0.76 -2.18 120.40 125.00 1mr9 s VAL 127 Ca 0.70 -2.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.42 1mr9 s VAL 127 Cb -0.36 -2.71 0.21 0.00 0.00 0.00 0.00 36.38 33.53 1mr9 s VAL 127 CO 0.42 -0.47 1.20 -0.63 0.00 0.00 0.00 175.10 175.62 1mr9 s ILE 128 N 1.00 1.86 -0.03 2.22 -1.09 -0.32 0.26 121.20 125.10 1mr9 s ILE 128 Ca 0.06 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.30 1mr9 s ILE 128 Cb -0.20 -2.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 1mr9 s ILE 128 CO -0.06 0.00 0.50 -2.84 -1.23 0.00 0.00 174.94 171.30 1mr9 s PRO 130 N -5.57 4.20 0.00 2.79 0.02 -0.22 -1.67 135.00 134.56 1mr9 s PRO 130 Ca 0.70 0.54 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1mr9 s PRO 130 Cb -0.09 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1mr9 s PRO 130 CO 0.54 0.42 0.00 0.41 -0.33 0.00 0.00 177.00 178.04 1mr9 n GLY 131 N 2.48 0.74 3.89 0.52 0.00 -1.22 -4.90 105.19 106.69 1mr9 n GLY 131 Ca -0.09 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1mr9 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mr9 s VAL 132 N -2.00 5.17 -0.00 1.61 -7.23 -1.24 -4.82 120.40 111.88 1mr9 s VAL 132 Ca 0.00 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.38 1mr9 s VAL 132 Cb 0.00 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1mr9 s VAL 132 CO 0.00 0.15 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.25 1mr9 s LYS 133 N -2.34 2.34 -0.08 4.82 1.02 -1.26 -0.27 119.74 123.97 1mr9 s LYS 133 Ca 0.37 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1mr9 s LYS 133 Cb -0.13 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1mr9 s LYS 133 CO 0.22 0.59 -0.12 0.42 -0.92 0.00 0.00 175.35 175.53 1mr9 s ILE 134 N -0.85 1.19 0.69 2.17 1.01 0.33 -1.12 121.20 124.62 1mr9 s ILE 134 Ca 0.14 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1mr9 s ILE 134 Cb -0.11 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1mr9 s ILE 134 CO 0.04 0.38 1.09 -0.83 0.00 0.00 0.00 174.94 175.62 1mr9 s GLY 135 N 0.96 1.96 0.26 6.18 0.00 0.11 -1.94 107.32 114.84 1mr9 s GLY 135 Ca -0.09 0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.72 1mr9 s GLY 135 CO 0.00 0.74 1.57 1.22 0.00 0.00 0.00 173.10 176.63 1mr9 n ASP 136 N -2.76 3.58 0.00 1.64 10.43 -1.26 -1.89 116.55 126.28 1mr9 n ASP 136 Ca 0.09 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.58 1mr9 n ASP 136 Cb 0.53 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.94 1mr9 n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr9 n GLY 137 N 2.53 2.96 3.21 0.44 0.00 0.26 0.93 105.19 115.53 1mr9 n GLY 137 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1mr9 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 n ALA 138 N -0.43 -4.28 -3.13 4.61 0.00 -0.80 -4.39 120.51 112.10 1mr9 n ALA 138 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 1mr9 n ALA 138 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1mr9 n ALA 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mr9 s ILE 139 N -2.19 -0.01 -0.19 0.00 1.01 -1.26 -2.82 121.20 115.73 1mr9 s ILE 139 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1mr9 s ILE 139 Cb -0.12 -0.22 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1mr9 s ILE 139 CO 0.70 0.01 -0.07 -0.69 0.00 0.00 0.00 174.94 174.89 1mr9 s VAL 140 N 0.25 1.39 0.66 2.92 1.01 -0.88 -1.20 120.40 124.55 1mr9 s VAL 140 Ca -0.01 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1mr9 s VAL 140 Cb -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1mr9 s VAL 140 CO -0.01 0.08 1.14 0.00 0.00 0.00 0.00 175.10 176.31 1mr9 s ALA 141 N 1.50 2.40 0.95 5.51 0.00 0.17 -0.04 121.76 132.24 1mr9 s ALA 141 Ca -0.02 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1mr9 s ALA 141 Cb -0.16 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.73 1mr9 s ALA 141 CO -0.08 -1.38 1.00 0.00 0.00 0.00 0.00 175.76 175.30 1mr9 n ALA 142 N -2.36 -1.32 -3.48 0.00 0.00 -1.26 -2.21 120.51 109.88 1mr9 n ALA 142 Ca 0.11 -0.62 -0.19 0.00 0.00 0.00 0.00 53.44 52.74 1mr9 n ALA 142 Cb 0.51 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.80 1mr9 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mr9 n ASN 143 N -3.77 0.26 -4.91 0.00 3.02 0.36 -4.72 115.26 105.51 1mr9 n ASN 143 Ca 0.10 -0.72 -0.27 0.00 -0.03 0.00 0.00 54.58 53.65 1mr9 n ASN 143 Cb 0.53 -0.90 0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1mr9 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mr9 s SER 144 N -3.52 5.87 -0.29 6.41 0.01 -0.94 -4.64 113.70 116.61 1mr9 s SER 144 Ca 0.08 0.88 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 1mr9 s SER 144 Cb -0.05 -1.98 0.09 0.00 0.21 0.00 0.00 66.02 64.30 1mr9 s SER 144 CO 0.57 -0.90 0.09 -0.69 0.41 0.00 0.00 173.24 172.72 1mr9 s VAL 145 N -2.95 0.75 0.00 3.43 1.01 0.15 -0.17 120.40 122.62 1mr9 s VAL 145 Ca 0.52 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1mr9 s VAL 145 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1mr9 s VAL 145 CO 0.46 -0.59 0.82 -0.69 0.00 0.00 0.00 175.10 175.10 1mr9 s VAL 146 N 1.70 4.85 0.00 2.92 1.01 0.14 0.60 120.40 131.61 1mr9 s VAL 146 Ca 0.08 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1mr9 s VAL 146 Cb -0.17 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1mr9 s VAL 146 CO -0.23 0.27 0.00 1.33 0.00 0.00 0.00 175.10 176.47 1mr9 n VAL 147 N 3.39 0.00 -4.73 2.92 0.24 -1.26 -4.55 118.33 114.34 1mr9 n VAL 147 Ca 0.00 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 1mr9 n VAL 147 Cb 0.51 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 1mr9 n VAL 147 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mr9 s LYS 148 N -0.64 2.15 0.57 7.34 1.02 -1.26 -4.87 119.74 124.05 1mr9 s LYS 148 Ca 0.00 -2.35 -0.17 0.00 0.02 0.00 0.00 55.97 53.47 1mr9 s LYS 148 Cb 0.00 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 1mr9 s LYS 148 CO 0.00 -0.30 1.07 -0.51 -0.92 0.00 0.00 175.35 174.69 1mr9 s ASP 149 N -3.85 5.83 -0.11 2.83 1.11 -1.26 -4.67 116.67 116.54 1mr9 s ASP 149 Ca 0.11 1.92 0.02 0.00 0.18 0.00 0.00 52.55 54.78 1mr9 s ASP 149 Cb 0.03 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 1mr9 s ASP 149 CO 0.06 -1.14 -0.18 -0.63 1.18 0.00 0.00 175.17 174.46 1mr9 s ILE 150 N -2.22 2.58 0.76 0.77 1.01 -0.27 -4.98 121.20 118.85 1mr9 s ILE 150 Ca 0.66 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 1mr9 s ILE 150 Cb -0.18 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1mr9 s ILE 150 CO 0.32 0.54 1.10 0.00 0.00 0.00 0.00 174.94 176.90 1mr9 s ALA 151 N 0.30 2.22 0.46 9.38 0.00 -1.26 0.08 121.76 132.94 1mr9 s ALA 151 Ca -0.14 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.96 1mr9 s ALA 151 Cb -0.17 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 1mr9 s ALA 151 CO 0.07 -1.77 0.89 -2.30 0.00 0.00 0.00 175.76 172.65 1mr9 n PRO 152 N -3.36 1.09 -3.03 0.00 -0.02 -1.26 -4.02 135.00 124.40 1mr9 n PRO 152 Ca 0.10 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1mr9 n PRO 152 Cb 0.53 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 1mr9 n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mr9 n TYR 153 N -0.84 -2.58 -3.95 6.00 4.02 0.26 -4.77 117.16 115.30 1mr9 n TYR 153 Ca 0.11 1.10 -0.12 0.00 -0.01 0.00 0.00 57.90 58.98 1mr9 n TYR 153 Cb 0.41 -2.80 -0.13 0.00 -0.02 0.00 0.00 39.34 36.80 1mr9 n TYR 153 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mr9 s LEU 155 N -1.85 2.08 -0.09 7.72 2.96 0.00 -1.65 118.68 127.86 1mr9 s LEU 155 Ca 0.13 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 1mr9 s LEU 155 Cb -0.02 -0.02 0.03 0.00 0.50 0.00 0.00 46.19 46.68 1mr9 s LEU 155 CO 0.59 -0.08 0.33 0.00 -1.32 0.00 0.00 176.35 175.87 1mr9 s ALA 156 N -0.48 -0.82 0.14 5.97 0.00 -0.34 0.12 121.76 126.35 1mr9 s ALA 156 Ca -0.05 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.46 1mr9 s ALA 156 Cb -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1mr9 s ALA 156 CO -0.00 -0.20 0.48 0.20 0.00 0.00 0.00 175.76 176.24 1mr9 s GLY 157 N -0.35 -0.41 0.00 0.00 0.00 -0.91 0.42 107.32 106.07 1mr9 s GLY 157 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1mr9 s GLY 157 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1mr9 n GLY 158 N -0.29 -0.38 2.72 0.20 0.00 -1.26 -1.76 105.19 104.41 1mr9 n GLY 158 Ca -0.16 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 1mr9 n GLY 158 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mr9 n ASN 159 N 0.00 -2.39 -4.79 1.61 5.15 -1.26 0.32 115.26 113.90 1mr9 n ASN 159 Ca 0.00 -2.51 -0.34 0.00 -0.60 0.00 0.00 54.58 51.13 1mr9 n ASN 159 Cb 0.00 1.37 -0.02 0.00 -0.53 0.00 0.00 39.78 40.60 1mr9 n ASN 159 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1mr9 s PRO 160 N 0.61 3.65 0.16 1.20 0.02 -1.26 -4.96 135.00 134.41 1mr9 s PRO 160 Ca 0.29 1.43 -0.34 0.00 0.02 0.00 0.00 61.00 62.40 1mr9 s PRO 160 Cb 0.17 -2.07 -0.14 0.00 0.02 0.00 0.00 34.50 32.48 1mr9 s PRO 160 CO -0.15 -0.57 1.55 0.00 -0.33 0.00 0.00 177.00 177.50 1mr9 n ALA 161 N -1.11 1.17 -2.47 -1.55 0.00 0.20 -4.84 120.51 111.91 1mr9 n ALA 161 Ca 0.10 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 1mr9 n ALA 161 Cb 0.52 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.54 1mr9 n ALA 161 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mr9 s ASN 162 N 0.85 1.34 0.13 0.00 -0.87 -0.73 -4.71 114.94 110.96 1mr9 s ASN 162 Ca 0.79 -0.82 -0.31 0.00 -1.57 0.00 0.00 52.86 50.95 1mr9 s ASN 162 Cb -0.70 0.02 -0.08 0.00 -0.02 0.00 0.00 41.25 40.47 1mr9 s ASN 162 CO 0.39 -0.29 1.40 -1.61 -2.57 0.00 0.00 177.10 174.43 1mr9 s GLU 163 N -2.83 4.31 -0.17 -0.60 2.02 -1.26 -2.15 118.70 118.02 1mr9 s GLU 163 Ca 0.05 2.11 -0.15 0.00 0.02 0.00 0.00 54.97 57.01 1mr9 s GLU 163 Cb -0.02 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 1mr9 s GLU 163 CO -0.01 -0.44 -0.27 -0.89 0.02 0.00 0.00 175.26 173.68 1mr9 n ILE 164 N 3.78 1.47 -3.47 -1.63 5.41 0.33 -4.95 119.36 120.31 1mr9 n ILE 164 Ca 0.11 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.86 1mr9 n ILE 164 Cb 0.42 -2.33 -0.03 0.00 -0.71 0.00 0.00 39.64 36.98 1mr9 n ILE 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1mr9 s LYS 165 N -2.62 1.19 0.14 0.38 1.02 -1.20 -5.00 119.74 113.66 1mr9 s LYS 165 Ca -0.24 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1mr9 s LYS 165 Cb 0.04 0.55 -0.07 0.00 -0.52 0.00 0.00 37.83 37.83 1mr9 s LYS 165 CO 0.36 -0.48 1.15 -0.65 -0.92 0.00 0.00 175.35 174.81 1mr9 s GLN 166 N -2.93 4.52 0.23 1.68 -0.21 -1.26 -0.82 119.66 120.88 1mr9 s GLN 166 Ca -0.03 1.76 -0.07 0.00 0.02 0.00 0.00 55.36 57.04 1mr9 s GLN 166 Cb -0.01 -3.29 0.21 0.00 1.00 0.00 0.00 33.01 30.92 1mr9 s GLN 166 CO -0.06 -0.06 1.87 0.00 -2.12 0.00 0.00 175.29 174.93 1mr9 h ARG 167 N 5.62 1.23 -4.50 2.91 3.08 -1.68 -3.44 114.38 117.60 1mr9 h ARG 167 Ca -0.44 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 59.28 1mr9 h ARG 167 Cb 1.21 -0.25 -0.15 0.00 0.08 0.00 0.00 29.97 30.86 1mr9 h ARG 167 CO 0.75 0.87 -0.62 -0.06 -1.07 0.00 0.00 179.97 179.84 1mr9 s PHE 168 N -5.92 1.00 0.76 3.04 0.08 -1.26 -5.11 117.98 110.58 1mr9 s PHE 168 Ca -0.13 -1.30 -0.14 0.00 0.12 0.00 0.00 56.93 55.48 1mr9 s PHE 168 Cb 0.17 -0.51 0.06 0.00 -0.57 0.00 0.00 43.02 42.17 1mr9 s PHE 168 CO 0.82 -0.59 1.21 0.16 -0.10 0.00 0.00 175.22 176.72 1mr9 s ASP 169 N -3.10 3.93 0.13 1.36 1.47 -1.26 -4.75 116.67 114.44 1mr9 s ASP 169 Ca 0.32 2.36 -0.30 0.00 1.18 0.00 0.00 52.55 56.10 1mr9 s ASP 169 Cb 0.07 -2.59 -0.08 0.00 -0.34 0.00 0.00 42.92 39.98 1mr9 s ASP 169 CO 0.07 -2.44 1.58 1.56 0.68 0.00 0.00 175.17 176.62 1mr9 h GLN 170 N -0.56 -0.53 -0.91 2.11 1.08 -1.99 -2.24 115.11 112.08 1mr9 h GLN 170 Ca -0.47 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 56.80 1mr9 h GLN 170 Cb 1.30 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.79 1mr9 h GLN 170 CO 0.48 -0.35 0.59 -0.44 -0.95 0.00 0.00 178.83 178.16 1mr9 h ASP 171 N -0.55 0.97 -0.47 1.46 3.32 -1.99 0.75 116.42 119.91 1mr9 h ASP 171 Ca 0.06 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1mr9 h ASP 171 Cb 0.65 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.90 1mr9 h ASP 171 CO -0.38 0.66 -0.16 0.74 -1.72 0.00 0.00 179.24 178.38 1mr9 h THR 172 N 1.13 0.46 -0.14 0.35 2.02 -1.83 -0.58 112.91 114.33 1mr9 h THR 172 Ca 0.36 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.57 1mr9 h THR 172 Cb 0.02 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1mr9 h THR 172 CO -0.13 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.16 1mr9 h ILE 173 N -0.05 0.90 -0.84 3.11 2.04 0.87 -1.42 117.51 122.12 1mr9 h ILE 173 Ca 0.23 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.19 1mr9 h ILE 173 Cb 0.39 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 1mr9 h ILE 173 CO -0.51 0.01 0.47 0.78 0.00 0.00 0.00 178.15 178.90 1mr9 h ASN 174 N 0.03 0.64 0.63 1.72 2.35 0.29 0.46 115.58 121.72 1mr9 h ASN 174 Ca 0.06 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1mr9 h ASN 174 Cb 0.08 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1mr9 h ASN 174 CO -0.11 0.34 -0.43 1.56 -1.65 0.00 0.00 177.43 177.13 1mr9 h GLN 175 N 0.75 -0.97 -1.05 0.81 4.20 -0.85 -1.55 115.11 116.44 1mr9 h GLN 175 Ca 0.42 0.07 0.28 0.00 0.06 0.00 0.00 58.65 59.48 1mr9 h GLN 175 Cb 0.46 0.22 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 1mr9 h GLN 175 CO -0.28 -0.65 0.65 -0.07 -0.67 0.00 0.00 178.83 177.81 1mr9 h LEU 176 N -1.01 0.51 -0.36 1.46 3.38 -0.04 0.24 115.31 119.48 1mr9 h LEU 176 Ca -0.08 0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1mr9 h LEU 176 Cb 0.82 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1mr9 h LEU 176 CO 0.06 0.06 -0.67 -0.07 0.09 0.00 0.00 178.44 177.91 1mr9 h LEU 177 N 0.43 0.70 -0.01 1.67 3.38 0.05 -2.55 115.31 118.98 1mr9 h LEU 177 Ca 0.64 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1mr9 h LEU 177 Cb 1.50 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1mr9 h LEU 177 CO -0.38 1.18 -0.00 -0.78 0.09 0.00 0.00 178.44 178.55 1mr9 h ASP 178 N 0.44 0.02 1.72 -0.43 1.82 0.45 -3.32 116.42 117.12 1mr9 h ASP 178 Ca -0.02 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1mr9 h ASP 178 Cb 1.25 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1mr9 h ASP 178 CO 0.13 0.39 0.00 0.16 -1.61 0.00 0.00 179.24 178.31 1mr9 h ILE 179 N -0.36 0.00 -6.79 2.25 3.07 -1.19 -3.47 117.51 111.03 1mr9 h ILE 179 Ca 0.00 -0.83 -0.55 0.00 1.55 0.00 0.00 64.86 65.03 1mr9 h ILE 179 Cb 0.38 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 1mr9 h ILE 179 CO 0.00 0.00 -1.00 0.29 -1.05 0.00 0.00 178.15 176.39 1mr9 n LYS 180 N -2.99 -0.55 0.28 0.16 5.02 -0.96 -4.77 118.16 114.35 1mr9 n LYS 180 Ca 0.03 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 1mr9 n LYS 180 Cb 0.47 -2.78 0.81 0.00 -0.02 0.00 0.00 35.03 33.51 1mr9 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1mr9 h TRP 181 N -2.22 0.00 0.00 2.13 5.08 -1.91 -1.74 115.95 117.28 1mr9 h TRP 181 Ca -0.69 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.28 1mr9 h TRP 181 Cb 1.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.55 1mr9 h TRP 181 CO 0.34 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.83 1mr9 n TRP 182 N -4.11 0.00 0.74 0.12 2.14 -1.26 -1.35 117.44 113.72 1mr9 n TRP 182 Ca -0.03 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.62 1mr9 n TRP 182 Cb 0.09 -0.17 -0.10 0.00 -0.81 0.00 0.00 31.31 30.33 1mr9 n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1mr9 n ASN 183 N -1.17 0.80 -4.76 -0.67 3.02 -0.65 -4.99 115.26 106.83 1mr9 n ASN 183 Ca 0.07 -0.85 -0.38 0.00 -0.03 0.00 0.00 54.58 53.40 1mr9 n ASN 183 Cb 0.07 1.04 0.01 0.00 -0.61 0.00 0.00 39.78 40.30 1mr9 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mr9 s TRP 184 N -2.59 2.60 -0.45 3.10 0.51 -0.46 -4.87 118.94 116.78 1mr9 s TRP 184 Ca 0.06 1.45 -0.37 0.00 -2.12 0.00 0.00 56.10 55.12 1mr9 s TRP 184 Cb 0.12 -3.59 -0.16 0.00 -0.81 0.00 0.00 33.47 29.03 1mr9 s TRP 184 CO 0.68 -2.18 1.86 -2.30 -0.51 0.00 0.00 176.95 174.50 1mr9 n PRO 185 N -0.71 0.00 0.32 4.98 -0.02 -1.26 -4.60 135.00 133.71 1mr9 n PRO 185 Ca 0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.62 1mr9 n PRO 185 Cb 0.46 -1.28 0.30 0.00 -0.02 0.00 0.00 33.50 32.96 1mr9 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mr9 h ILE 186 N 6.04 0.00 -0.13 4.25 6.09 -1.96 3.20 117.51 134.99 1mr9 h ILE 186 Ca -0.08 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 63.21 1mr9 h ILE 186 Cb 1.21 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.75 1mr9 h ILE 186 CO 0.95 0.00 -0.71 -2.24 -3.07 0.00 0.00 178.15 173.08 1mr9 h ASP 187 N 0.00 0.70 0.65 2.19 2.03 -1.98 0.27 116.42 120.27 1mr9 h ASP 187 Ca 0.00 -0.44 -0.03 0.00 -0.73 0.00 0.00 57.03 55.83 1mr9 h ASP 187 Cb 1.48 -0.20 0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1mr9 h ASP 187 CO 0.00 1.20 -0.31 0.40 -1.03 0.00 0.00 179.24 179.50 1mr9 h ILE 188 N 0.42 0.08 -0.99 4.15 1.08 0.55 -3.06 117.51 119.75 1mr9 h ILE 188 Ca -0.03 -0.35 0.34 0.00 -0.39 0.00 0.00 64.86 64.43 1mr9 h ILE 188 Cb 1.30 0.12 -0.18 0.00 -3.07 0.00 0.00 36.82 34.99 1mr9 h ILE 188 CO 0.13 0.01 0.31 0.40 -0.69 0.00 0.00 178.15 178.31 1mr9 h ILE 189 N -1.19 0.05 0.00 -0.67 2.04 -1.41 0.72 117.51 117.04 1mr9 h ILE 189 Ca -0.09 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1mr9 h ILE 189 Cb 0.69 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1mr9 h ILE 189 CO 0.15 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.89 1mr9 n ASN 190 N -5.34 0.56 -0.54 1.72 3.02 0.08 -1.95 115.26 112.81 1mr9 n ASN 190 Ca 0.30 0.70 0.07 0.00 -0.03 0.00 0.00 54.58 55.62 1mr9 n ASN 190 Cb 1.01 -0.80 0.06 0.00 -0.61 0.00 0.00 39.78 39.44 1mr9 n ASN 190 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mr9 n GLU 191 N -2.19 0.95 -1.60 3.52 1.02 0.25 -4.58 120.64 118.01 1mr9 n GLU 191 Ca 0.00 -1.34 0.04 0.00 -0.02 0.00 0.00 57.16 55.84 1mr9 n GLU 191 Cb 0.12 -1.26 0.02 0.00 -0.02 0.00 0.00 31.44 30.30 1mr9 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mr9 n ASN 192 N 0.74 1.02 0.10 1.62 3.02 -0.82 -4.91 115.26 116.02 1mr9 n ASN 192 Ca 0.08 -2.00 -0.13 0.00 -0.03 0.00 0.00 54.58 52.50 1mr9 n ASN 192 Cb 0.34 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1mr9 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mr9 h ILE 193 N 6.87 0.88 -0.98 2.41 2.04 -1.79 0.48 117.51 127.41 1mr9 h ILE 193 Ca -0.23 -0.72 0.17 0.00 1.00 0.00 0.00 64.86 65.08 1mr9 h ILE 193 Cb 1.85 1.29 -0.17 0.00 -0.74 0.00 0.00 36.82 39.04 1mr9 h ILE 193 CO 0.10 0.15 -0.34 0.44 0.00 0.00 0.00 178.15 178.50 1mr9 h ASP 194 N -0.65 -1.27 0.33 1.72 3.45 -1.92 1.37 116.42 119.46 1mr9 h ASP 194 Ca -0.03 0.30 -0.06 0.00 0.43 0.00 0.00 57.03 57.68 1mr9 h ASP 194 Cb 0.47 0.71 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 1mr9 h ASP 194 CO 0.05 -0.30 -0.27 0.07 -1.57 0.00 0.00 179.24 177.22 1mr9 h LYS 195 N -0.00 0.00 0.00 3.56 2.10 -1.86 -0.79 116.57 119.58 1mr9 h LYS 195 Ca 0.38 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.94 1mr9 h LYS 195 Cb 0.64 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 1mr9 h LYS 195 CO -0.99 0.27 -0.46 0.82 -2.00 0.00 0.00 179.45 177.09 1mr9 h ILE 196 N 0.00 1.10 0.00 0.07 2.04 0.38 -2.04 117.51 119.07 1mr9 h ILE 196 Ca -0.00 -1.70 -0.22 0.00 1.00 0.00 0.00 64.86 63.94 1mr9 h ILE 196 Cb 0.51 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1mr9 h ILE 196 CO 0.03 0.45 -1.54 0.18 0.00 0.00 0.00 178.15 177.28 1mr9 n LEU 197 N -3.67 0.85 -1.54 1.44 4.77 0.20 -3.87 117.00 115.18 1mr9 n LEU 197 Ca -0.01 0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 1mr9 n LEU 197 Cb 0.53 0.11 0.28 0.00 -2.33 0.00 0.00 43.42 42.01 1mr9 n LEU 197 CO 0.39 0.24 0.89 -0.90 -1.33 0.00 0.00 177.39 176.67 1mr9 n ASP 198 N -2.94 4.16 0.00 -1.43 5.75 -0.40 -4.92 116.55 116.77 1mr9 n ASP 198 Ca -0.13 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 1mr9 n ASP 198 Cb 0.92 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1mr9 n ASP 198 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1mr9 n ASN 199 N -0.43 0.00 -0.81 -1.12 2.85 -1.08 -4.73 115.26 109.94 1mr9 n ASN 199 Ca 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1mr9 n ASN 199 Cb 1.19 -1.74 0.00 0.00 1.24 0.00 0.00 39.78 40.47 1mr9 n ASN 199 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1mr9 n SER 200 N 0.00 2.02 -0.45 1.20 3.41 -0.81 -3.24 113.62 115.76 1mr9 n SER 200 Ca 0.00 -1.80 0.14 0.00 -0.26 0.00 0.00 58.87 56.95 1mr9 n SER 200 Cb 0.00 -0.45 0.46 0.00 -0.26 0.00 0.00 64.21 63.96 1mr9 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mr9 n ILE 201 N 0.36 0.00 0.76 -1.33 0.13 -0.95 -3.80 119.36 114.53 1mr9 n ILE 201 Ca 0.00 -0.23 0.09 0.00 -1.10 0.00 0.00 62.75 61.50 1mr9 n ILE 201 Cb 0.37 0.54 0.02 0.00 -0.84 0.00 0.00 39.64 39.73 1mr9 n ILE 201 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 1mr9 n ILE 202 N 0.04 0.00 1.55 9.51 -5.35 -1.20 -5.07 119.36 118.84 1mr9 n ILE 202 Ca 0.17 -0.38 0.14 0.00 -0.27 0.00 0.00 62.75 62.41 1mr9 n ILE 202 Cb 0.37 1.26 0.57 0.00 -1.74 0.00 0.00 39.64 40.10 1mr9 n ILE 202 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33