#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr9 n PRO 3 N 0.00 0.57 -3.24 1.61 -0.04 -1.26 -4.94 135.00 127.70 1mr9 n PRO 3 Ca 0.00 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 1mr9 n PRO 3 Cb 0.00 -2.30 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 1mr9 n PRO 3 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1mr9 s ASN 4 N -1.64 6.36 0.00 3.54 3.84 -1.26 -5.09 114.94 120.69 1mr9 s ASN 4 Ca 0.75 0.22 -0.00 0.00 0.21 0.00 0.00 52.86 54.03 1mr9 s ASN 4 Cb -0.35 -2.27 -0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1mr9 s ASN 4 CO 0.49 -0.39 0.51 -0.81 -2.79 0.00 0.00 177.10 174.11 1mr9 n PRO 5 N 5.65 0.14 0.00 0.43 -0.04 -1.26 -4.74 135.00 135.18 1mr9 n PRO 5 Ca -0.05 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1mr9 n PRO 5 Cb 0.49 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1mr9 n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mr9 n LYS 7 N 2.52 0.00 -0.94 0.54 5.02 -1.26 -4.59 118.16 119.45 1mr9 n LYS 7 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1mr9 n LYS 7 Cb 0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.97 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 0.25 -0.13 2.13 4.02 -1.26 -4.23 117.16 117.93 1mr9 n TYR 9 Ca 0.00 0.17 0.06 0.00 -0.01 0.00 0.00 57.90 58.11 1mr9 n TYR 9 Cb 0.00 -1.15 0.37 0.00 -0.02 0.00 0.00 39.34 38.54 1mr9 n TYR 9 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1mr9 h PRO 10 N 7.32 0.69 -3.73 -0.72 0.11 -1.85 -3.38 132.00 130.43 1mr9 h PRO 10 Ca -0.02 -0.04 -0.70 0.00 0.11 0.00 0.00 66.00 65.35 1mr9 h PRO 10 Cb 0.79 -0.15 -0.35 0.00 0.11 0.00 0.00 31.00 31.40 1mr9 h PRO 10 CO 0.91 0.45 -0.36 0.42 -0.21 0.00 0.00 178.00 179.21 1mr9 s ILE 11 N -5.62 3.78 0.15 4.15 1.01 -1.26 -4.84 121.20 118.57 1mr9 s ILE 11 Ca -0.09 -2.79 -0.34 0.00 0.00 0.00 0.00 60.65 57.42 1mr9 s ILE 11 Cb 0.19 -3.47 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 1mr9 s ILE 11 CO 0.76 -0.86 1.39 1.21 0.00 0.00 0.00 174.94 177.44 1mr9 n GLU 12 N 3.68 1.62 -0.34 2.79 2.13 -1.26 -0.08 120.64 129.18 1mr9 n GLU 12 Ca 0.06 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1mr9 n GLU 12 Cb 0.39 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1mr9 n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mr9 n GLY 13 N 2.64 0.99 2.46 8.31 0.00 -1.26 -4.92 105.19 113.40 1mr9 n GLY 13 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1mr9 n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mr9 n ASN 14 N 0.00 4.31 -0.18 1.61 4.05 0.89 -4.92 115.26 121.02 1mr9 n ASN 14 Ca 0.00 -3.58 0.00 0.00 0.45 0.00 0.00 54.58 51.45 1mr9 n ASN 14 Cb 0.00 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 40.55 1mr9 n ASN 14 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1mr9 n LYS 15 N -0.46 0.00 -0.06 1.20 -0.00 -1.26 -0.87 118.16 116.71 1mr9 n LYS 15 Ca 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.50 1mr9 n LYS 15 Cb 0.71 -0.93 -0.14 0.00 -0.00 0.00 0.00 35.03 34.67 1mr9 n LYS 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1mr9 n SER 16 N -0.09 1.51 -4.69 -5.58 7.64 -1.26 -4.82 113.62 106.34 1mr9 n SER 16 Ca 0.00 0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 1mr9 n SER 16 Cb 0.00 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.54 4.50 -0.04 0.44 1.01 -0.05 -1.60 120.40 122.12 1mr9 s VAL 17 Ca -0.22 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.58 1mr9 s VAL 17 Cb 0.08 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1mr9 s VAL 17 CO 0.73 -0.00 -0.09 -1.10 0.00 0.00 0.00 175.10 174.63 1mr9 s GLN 18 N 2.14 2.61 -0.04 2.72 -0.21 0.12 -4.53 119.66 122.46 1mr9 s GLN 18 Ca 0.52 -0.64 -0.21 0.00 0.02 0.00 0.00 55.36 55.05 1mr9 s GLN 18 Cb -0.22 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 1mr9 s GLN 18 CO 0.20 0.64 0.61 -0.06 -2.12 0.00 0.00 175.29 174.56 1mr9 s PHE 19 N -0.83 3.62 -0.12 0.91 2.99 -1.26 -0.13 117.98 123.16 1mr9 s PHE 19 Ca 0.13 1.17 0.16 0.00 0.00 0.00 0.00 56.93 58.40 1mr9 s PHE 19 Cb -0.11 -2.67 -0.23 0.00 0.00 0.00 0.00 43.02 40.02 1mr9 s PHE 19 CO 0.03 0.24 0.43 0.44 -0.00 0.00 0.00 175.22 176.35 1mr9 n ILE 20 N 3.20 1.33 -0.24 0.64 -5.35 -1.16 -4.07 119.36 113.72 1mr9 n ILE 20 Ca -0.05 -0.78 -0.04 0.00 -0.27 0.00 0.00 62.75 61.60 1mr9 n ILE 20 Cb 0.51 -0.67 0.07 0.00 -1.74 0.00 0.00 39.64 37.81 1mr9 n ILE 20 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1mr9 h LYS 21 N 0.00 0.82 -0.58 6.28 3.64 -1.82 0.17 116.57 125.09 1mr9 h LYS 21 Ca -0.36 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1mr9 h LYS 21 Cb 1.97 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 33.57 1mr9 h LYS 21 CO 0.05 0.55 0.35 -1.35 -2.27 0.00 0.00 179.45 176.78 1mr9 h PRO 22 N 0.85 0.68 -0.23 1.90 0.11 -1.81 -1.98 132.00 131.51 1mr9 h PRO 22 Ca 0.27 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1mr9 h PRO 22 Cb -0.01 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 1mr9 h PRO 22 CO -0.09 0.45 -0.58 0.82 -0.21 0.00 0.00 178.00 178.38 1mr9 h ILE 23 N 0.70 1.29 -0.01 4.15 2.04 -1.34 -3.00 117.51 121.33 1mr9 h ILE 23 Ca 0.24 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1mr9 h ILE 23 Cb 0.03 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1mr9 h ILE 23 CO -0.10 0.57 -0.10 0.18 0.00 0.00 0.00 178.15 178.70 1mr9 n LEU 24 N -3.98 0.89 0.00 1.44 4.77 0.48 -4.00 117.00 116.60 1mr9 n LEU 24 Ca -0.04 -0.22 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 1mr9 n LEU 24 Cb 0.64 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.79 1mr9 n LEU 24 CO 0.50 0.16 0.50 1.21 -1.33 0.00 0.00 177.39 178.42 1mr9 n GLU 25 N -0.53 0.11 -0.06 3.23 4.07 -0.75 -0.16 120.64 126.55 1mr9 n GLU 25 Ca 0.16 0.18 -0.06 0.00 -0.06 0.00 0.00 57.16 57.39 1mr9 n GLU 25 Cb 0.30 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.03 1mr9 n GLU 25 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1mr9 n LYS 26 N -1.22 0.67 -2.28 5.31 2.85 -1.26 -4.90 118.16 117.33 1mr9 n LYS 26 Ca 0.03 0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 1mr9 n LYS 26 Cb 0.04 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 32.82 1mr9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mr9 s LEU 27 N -5.44 4.17 0.54 -5.58 1.43 0.78 -4.98 118.68 109.60 1mr9 s LEU 27 Ca -0.08 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.61 1mr9 s LEU 27 Cb 0.08 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1mr9 s LEU 27 CO 0.84 -0.88 1.19 -1.83 0.23 0.00 0.00 176.35 175.90 1mr9 s GLU 28 N 3.81 3.28 -1.74 1.70 4.04 -1.26 -2.97 118.70 125.55 1mr9 s GLU 28 Ca 0.61 1.80 0.00 0.00 0.04 0.00 0.00 54.97 57.42 1mr9 s GLU 28 Cb -0.25 -2.09 0.00 0.00 0.02 0.00 0.00 34.13 31.81 1mr9 s GLU 28 CO 0.21 -0.95 0.00 0.09 -1.84 0.00 0.00 175.26 172.77 1mr9 n ASN 29 N -1.19 -5.57 -4.19 0.83 3.02 -1.26 -4.98 115.26 101.91 1mr9 n ASN 29 Ca 0.11 0.08 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 1mr9 n ASN 29 Cb 0.49 -4.69 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 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 -2.94 1.67 -0.02 2.41 1.01 -1.16 -1.36 120.40 120.01 1mr9 s VAL 30 Ca 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1mr9 s VAL 30 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1mr9 s VAL 30 CO 0.00 0.47 -0.21 -0.70 0.00 0.00 0.00 175.10 174.66 1mr9 s GLU 31 N -0.11 1.74 -0.20 2.72 2.12 0.42 -4.94 118.70 120.45 1mr9 s GLU 31 Ca -0.02 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.51 1mr9 s GLU 31 Cb -0.12 -1.67 0.10 0.00 0.26 0.00 0.00 34.13 32.71 1mr9 s GLU 31 CO 0.02 0.45 0.34 0.08 -0.54 0.00 0.00 175.26 175.61 1mr9 s VAL 32 N -0.47 -0.53 0.88 3.70 1.01 -1.24 0.11 120.40 123.85 1mr9 s VAL 32 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1mr9 s VAL 32 Cb -0.08 -0.68 0.12 0.00 0.00 0.00 0.00 36.38 35.74 1mr9 s VAL 32 CO -0.01 -0.04 1.10 -0.83 0.00 0.00 0.00 175.10 175.32 1mr9 s GLY 33 N 2.50 1.64 0.76 4.51 0.00 -0.27 -4.66 107.32 111.81 1mr9 s GLY 33 Ca 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 1mr9 s GLY 33 CO -0.13 0.61 1.13 -1.83 0.00 0.00 0.00 173.10 172.88 1mr9 s GLU 34 N -4.83 2.30 0.00 2.90 1.03 -1.26 -3.86 118.70 114.98 1mr9 s GLU 34 Ca 0.64 0.19 0.00 0.00 0.03 0.00 0.00 54.97 55.83 1mr9 s GLU 34 Cb -0.19 -2.00 0.00 0.00 -0.80 0.00 0.00 34.13 31.14 1mr9 s GLU 34 CO 0.57 -1.36 0.00 0.66 -1.33 0.00 0.00 175.26 173.81 1mr9 n TYR 35 N -3.16 0.00 -1.74 4.83 4.02 -1.26 -2.52 117.16 117.32 1mr9 n TYR 35 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 1mr9 n TYR 35 Cb 0.60 -0.27 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 1mr9 n TYR 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1mr9 n SER 36 N 0.00 3.52 -4.12 7.72 7.64 -1.25 -4.51 113.62 122.61 1mr9 n SER 36 Ca 0.00 1.19 -0.10 0.00 1.01 0.00 0.00 58.87 60.97 1mr9 n SER 36 Cb 0.00 -1.57 -0.10 0.00 -1.01 0.00 0.00 64.21 61.53 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 -0.68 0.74 -0.02 1.43 -0.85 -0.25 -2.96 117.35 114.75 1mr9 s TYR 37 Ca 0.58 -0.86 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1mr9 s TYR 37 Cb -0.52 -0.45 0.00 0.00 0.38 0.00 0.00 41.96 41.37 1mr9 s TYR 37 CO 0.58 -0.19 -0.08 -0.47 -1.52 0.00 0.00 175.55 173.86 1mr9 s TYR 38 N -3.19 0.90 -0.35 -3.49 5.04 0.81 -1.21 117.35 115.85 1mr9 s TYR 38 Ca 0.06 -0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.34 1mr9 s TYR 38 Cb 0.02 -0.64 -0.00 0.00 0.35 0.00 0.00 41.96 41.69 1mr9 s TYR 38 CO -0.05 -0.10 0.23 0.34 -1.34 0.00 0.00 175.55 174.63 1mr9 s ASP 39 N 0.20 5.92 0.11 4.32 2.15 -0.96 0.14 116.67 128.55 1mr9 s ASP 39 Ca -0.03 -0.58 -0.31 0.00 0.43 0.00 0.00 52.55 52.06 1mr9 s ASP 39 Cb -0.08 -2.10 -0.07 0.00 -0.30 0.00 0.00 42.92 40.37 1mr9 s ASP 39 CO 0.00 -0.28 1.31 -0.55 -0.17 0.00 0.00 175.17 175.49 1mr9 s SER 40 N 1.67 6.93 0.12 -0.34 0.15 -0.63 -2.72 113.70 118.88 1mr9 s SER 40 Ca 0.05 2.23 -0.22 0.00 0.70 0.00 0.00 55.95 58.71 1mr9 s SER 40 Cb -0.18 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.49 1mr9 s SER 40 CO 0.09 -0.56 1.69 0.50 1.20 0.00 0.00 173.24 176.15 1mr9 h LYS 41 N 6.55 -0.15 0.00 5.44 1.63 -1.91 -3.41 116.57 124.71 1mr9 h LYS 41 Ca -0.42 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1mr9 h LYS 41 Cb 1.21 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1mr9 h LYS 41 CO 0.83 -0.10 -0.27 0.09 -3.45 0.00 0.00 179.45 176.55 1mr9 n ASN 42 N -5.25 1.31 0.00 4.20 3.02 -1.26 -5.02 115.26 112.25 1mr9 n ASN 42 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1mr9 n ASN 42 Cb 0.17 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1mr9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr9 n GLY 43 N 1.29 0.23 3.51 7.41 0.00 -1.26 -5.12 105.19 111.26 1mr9 n GLY 43 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 1mr9 n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mr9 n GLU 44 N 0.00 0.42 -1.53 1.61 0.00 -1.26 -4.96 120.64 114.93 1mr9 n GLU 44 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 57.16 57.02 1mr9 n GLU 44 Cb 0.00 -1.58 0.13 0.00 0.00 0.00 0.00 31.44 29.99 1mr9 n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1mr9 s THR 45 N -0.15 2.05 -0.68 3.84 -4.23 -1.26 -4.74 115.64 110.46 1mr9 s THR 45 Ca 0.81 0.01 0.26 0.00 -1.18 0.00 0.00 61.69 61.59 1mr9 s THR 45 Cb -1.07 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 70.27 1mr9 s THR 45 CO 0.54 -0.02 1.70 0.15 -0.54 0.00 0.00 174.62 176.45 1mr9 h PHE 46 N -1.49 0.00 0.00 3.99 3.57 -1.97 -3.07 116.94 117.98 1mr9 h PHE 46 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1mr9 h PHE 46 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1mr9 h PHE 46 CO 0.30 0.00 0.00 0.38 -2.23 0.00 0.00 178.31 176.76 1mr9 h ASP 47 N 0.00 0.00 0.55 0.41 2.03 -1.93 -0.81 116.42 116.67 1mr9 h ASP 47 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1mr9 h ASP 47 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1mr9 h ASP 47 CO 0.00 0.00 -0.13 0.29 -1.03 0.00 0.00 179.24 178.37 1mr9 n LYS 48 N -2.83 0.39 0.00 4.15 4.76 -1.16 -3.19 118.16 120.29 1mr9 n LYS 48 Ca 0.01 -0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.45 1mr9 n LYS 48 Cb 0.27 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.19 1mr9 n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1mr9 n GLN 49 N -1.20 0.83 -3.17 1.97 1.13 -0.31 -4.75 117.38 111.86 1mr9 n GLN 49 Ca 0.11 -0.57 -0.46 0.00 -1.94 0.00 0.00 57.00 54.15 1mr9 n GLN 49 Cb 0.30 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 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 -2.56 5.17 0.14 5.09 -1.09 -1.19 -2.02 121.20 124.74 1mr9 s ILE 50 Ca 0.21 -1.81 -0.13 0.00 -2.23 0.00 0.00 60.65 56.69 1mr9 s ILE 50 Cb 0.19 -4.54 -0.07 0.00 -1.58 0.00 0.00 42.46 36.46 1mr9 s ILE 50 CO 0.57 -1.16 0.52 -0.76 -1.23 0.00 0.00 174.94 172.88 1mr9 s LEU 51 N 1.53 4.32 -1.32 2.97 1.43 -0.78 -4.48 118.68 122.35 1mr9 s LEU 51 Ca 0.19 1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 54.23 1mr9 s LEU 51 Cb -0.14 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1mr9 s LEU 51 CO -0.04 0.10 1.10 -1.22 0.23 0.00 0.00 176.35 176.52 1mr9 n TYR 52 N 0.73 -2.61 -3.75 0.29 0.53 -1.26 -4.56 117.16 106.53 1mr9 n TYR 52 Ca -0.05 0.98 -0.38 0.00 -1.02 0.00 0.00 57.90 57.43 1mr9 n TYR 52 Cb 0.52 -4.98 -0.12 0.00 -1.03 0.00 0.00 39.34 33.73 1mr9 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 1mr9 s HIS 53 N -3.34 3.26 -0.06 -0.72 2.46 -1.26 -1.47 115.29 114.15 1mr9 s HIS 53 Ca 0.39 -1.43 0.04 0.00 0.47 0.00 0.00 55.06 54.53 1mr9 s HIS 53 Cb -0.17 -2.28 -0.02 0.00 -0.13 0.00 0.00 32.58 29.98 1mr9 s HIS 53 CO 0.74 -0.73 -0.17 0.71 -2.47 0.00 0.00 174.74 172.81 1mr9 s TYR 54 N 1.40 2.63 0.20 3.88 2.02 -1.26 -5.01 117.35 121.20 1mr9 s TYR 54 Ca -0.02 -0.37 0.29 0.00 -0.37 0.00 0.00 57.07 56.60 1mr9 s TYR 54 Cb -0.19 -1.64 1.23 0.00 -0.40 0.00 0.00 41.96 40.95 1mr9 s TYR 54 CO 0.03 0.02 1.95 -1.35 -1.57 0.00 0.00 175.55 174.63 1mr9 h PRO 55 N 5.71 0.00 0.00 -1.71 0.11 -1.94 -2.91 132.00 131.25 1mr9 h PRO 55 Ca -0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1mr9 h PRO 55 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1mr9 h PRO 55 CO 0.50 0.12 -0.33 0.97 -0.21 0.00 0.00 178.00 179.05 1mr9 h ILE 56 N 0.00 0.69 -0.00 4.15 6.09 -1.99 -2.36 117.51 124.09 1mr9 h ILE 56 Ca -0.00 -1.54 0.00 0.00 -1.37 0.00 0.00 64.86 61.94 1mr9 h ILE 56 Cb 0.56 2.02 0.00 0.00 0.47 0.00 0.00 36.82 39.87 1mr9 h ILE 56 CO 0.02 0.32 -0.06 0.18 -3.07 0.00 0.00 178.15 175.54 1mr9 n LEU 57 N -3.35 0.43 -3.67 2.19 4.77 -1.10 -4.92 117.00 111.35 1mr9 n LEU 57 Ca 0.01 -0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1mr9 n LEU 57 Cb 0.55 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1mr9 n LEU 57 CO 0.36 0.08 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.20 1mr9 n ASN 58 N -0.86 -1.46 -4.82 -1.43 2.85 -0.89 -4.93 115.26 103.72 1mr9 n ASN 58 Ca 0.17 -0.56 -0.38 0.00 -0.11 0.00 0.00 54.58 53.70 1mr9 n ASN 58 Cb 0.24 -1.32 -0.06 0.00 1.24 0.00 0.00 39.78 39.88 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 -2.69 6.93 0.15 1.20 -4.77 -1.26 -4.98 116.67 111.25 1mr9 s ASP 59 Ca 0.50 1.11 -0.01 0.00 -3.30 0.00 0.00 52.55 50.85 1mr9 s ASP 59 Cb -0.29 -2.30 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 1mr9 s ASP 59 CO 0.62 0.30 0.33 -0.54 0.70 0.00 0.00 175.17 176.58 1mr9 s LYS 60 N -1.09 3.51 -0.14 2.11 -0.14 -1.26 -4.94 119.74 117.79 1mr9 s LYS 60 Ca 0.26 -0.36 -0.00 0.00 -1.36 0.00 0.00 55.97 54.52 1mr9 s LYS 60 Cb -0.18 -2.90 0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1mr9 s LYS 60 CO 0.16 0.48 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.96 1mr9 s LEU 61 N -3.01 1.46 -0.09 3.17 2.96 -0.47 -1.80 118.68 120.91 1mr9 s LEU 61 Ca 0.38 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1mr9 s LEU 61 Cb -0.12 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1mr9 s LEU 61 CO 0.28 -0.11 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.51 1mr9 s LYS 62 N 1.62 2.91 0.13 1.98 1.02 -1.06 0.16 119.74 126.50 1mr9 s LYS 62 Ca 0.04 -0.72 0.11 0.00 0.02 0.00 0.00 55.97 55.42 1mr9 s LYS 62 Cb -0.13 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1mr9 s LYS 62 CO -0.09 0.41 -0.26 0.42 -0.92 0.00 0.00 175.35 174.91 1mr9 s ILE 63 N -0.18 2.23 0.00 2.17 1.01 0.30 -1.25 121.20 125.48 1mr9 s ILE 63 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1mr9 s ILE 63 Cb -0.13 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1mr9 s ILE 63 CO 0.03 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1mr9 n GLY 64 N 0.88 1.33 3.63 6.18 0.00 -0.58 -1.30 105.19 115.33 1mr9 n GLY 64 Ca -0.18 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 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 1.67 2.31 -1.49 1.61 1.02 -1.26 -1.11 119.74 122.49 1mr9 s LYS 65 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 1mr9 s LYS 65 Cb 0.00 -2.37 0.10 0.00 -0.52 0.00 0.00 37.83 35.05 1mr9 s LYS 65 CO 0.00 0.49 0.72 1.19 -0.92 0.00 0.00 175.35 176.83 1mr9 n PHE 66 N 0.32 -1.92 -3.14 3.18 3.72 -1.05 0.64 117.46 119.21 1mr9 n PHE 66 Ca -0.11 0.69 -0.32 0.00 -0.05 0.00 0.00 57.45 57.66 1mr9 n PHE 66 Cb 0.53 -3.24 -0.06 0.00 -0.94 0.00 0.00 39.48 35.78 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 -2.36 3.47 -0.23 0.00 0.01 0.26 -1.09 113.70 113.76 1mr9 s SER 68 Ca 0.53 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 57.11 1mr9 s SER 68 Cb -0.10 -1.53 0.04 0.00 0.21 0.00 0.00 66.02 64.63 1mr9 s SER 68 CO 0.19 -0.03 -0.13 -0.63 0.41 0.00 0.00 173.24 173.06 1mr9 s ILE 69 N 1.30 2.33 1.04 1.44 -1.09 -0.35 -0.07 121.20 125.80 1mr9 s ILE 69 Ca 0.04 -1.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.06 1mr9 s ILE 69 Cb -0.14 -2.20 0.21 0.00 -1.58 0.00 0.00 42.46 38.76 1mr9 s ILE 69 CO -0.11 0.22 1.16 -0.83 -1.23 0.00 0.00 174.94 174.16 1mr9 s GLY 70 N 1.22 1.62 0.56 6.18 0.00 0.14 -2.26 107.32 114.79 1mr9 s GLY 70 Ca -0.02 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 1mr9 s GLY 70 CO -0.07 -0.09 1.31 -4.14 0.00 0.00 0.00 173.10 170.11 1mr9 s PRO 71 N -5.43 3.09 0.00 2.90 0.02 -1.10 -3.32 135.00 131.15 1mr9 s PRO 71 Ca 0.69 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1mr9 s PRO 71 Cb -0.11 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1mr9 s PRO 71 CO 0.55 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 1mr9 n GLY 72 N 0.70 0.35 3.77 0.52 0.00 -1.26 0.60 105.19 109.88 1mr9 n GLY 72 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1mr9 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mr9 s VAL 73 N -1.83 3.35 -0.01 1.61 1.01 -1.21 -3.92 120.40 119.40 1mr9 s VAL 73 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1mr9 s VAL 73 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1mr9 s VAL 73 CO 0.00 0.07 0.02 0.42 0.00 0.00 0.00 175.10 175.61 1mr9 s THR 74 N -1.49 -0.00 -0.23 3.92 -4.23 -0.70 -4.81 115.64 108.10 1mr9 s THR 74 Ca 0.57 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1mr9 s THR 74 Cb -0.28 -0.04 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1mr9 s THR 74 CO 0.35 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.78 1mr9 s ILE 75 N 0.04 3.56 0.48 2.99 1.01 -0.85 -1.47 121.20 126.96 1mr9 s ILE 75 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1mr9 s ILE 75 Cb -0.00 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1mr9 s ILE 75 CO -0.00 0.41 0.70 -0.63 0.00 0.00 0.00 174.94 175.42 1mr9 s ILE 76 N 1.50 3.44 -1.55 2.92 -1.09 0.26 -1.86 121.20 124.81 1mr9 s ILE 76 Ca 0.06 -0.60 0.22 0.00 -2.23 0.00 0.00 60.65 58.10 1mr9 s ILE 76 Cb -0.14 -3.27 -0.10 0.00 -1.58 0.00 0.00 42.46 37.37 1mr9 s ILE 76 CO -0.02 -0.18 1.03 0.59 -1.23 0.00 0.00 174.94 175.13 1mr9 n ASN 78 N -2.16 1.51 0.13 3.58 3.02 -1.24 -2.33 115.26 117.77 1mr9 n ASN 78 Ca 0.04 -1.24 0.12 0.00 -0.03 0.00 0.00 54.58 53.47 1mr9 n ASN 78 Cb 0.59 0.69 0.50 0.00 -0.61 0.00 0.00 39.78 40.94 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 -1.22 0.13 7.41 0.00 -0.54 -3.37 105.19 109.06 1mr9 n GLY 79 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1mr9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 h ALA 80 N 2.24 0.68 -2.53 4.61 0.00 -1.92 -3.46 119.26 118.88 1mr9 h ALA 80 Ca 0.00 -0.48 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 1mr9 h ALA 80 Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1mr9 h ALA 80 CO 0.00 0.60 0.30 -0.80 0.00 0.00 0.00 179.25 179.34 1mr9 s ASN 81 N -6.21 7.33 0.85 0.00 0.01 -1.22 -5.05 114.94 110.66 1mr9 s ASN 81 Ca 0.02 1.60 -0.12 0.00 -0.71 0.00 0.00 52.86 53.65 1mr9 s ASN 81 Cb 0.08 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.30 1mr9 s ASN 81 CO 0.76 -0.15 1.15 -1.00 -1.51 0.00 0.00 177.10 176.35 1mr9 s HIS 82 N 0.55 2.75 0.71 2.20 3.76 -1.26 -4.91 115.29 119.10 1mr9 s HIS 82 Ca 0.47 0.85 -0.08 0.00 -0.15 0.00 0.00 55.06 56.15 1mr9 s HIS 82 Cb -0.21 -3.39 0.05 0.00 1.11 0.00 0.00 32.58 30.15 1mr9 s HIS 82 CO 0.26 -2.03 1.04 0.50 -0.85 0.00 0.00 174.74 173.67 1mr9 s ARG 83 N -5.38 2.29 0.00 1.40 3.52 -1.26 -4.78 118.95 114.73 1mr9 s ARG 83 Ca 0.63 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1mr9 s ARG 83 Cb -0.13 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1mr9 s ARG 83 CO 0.52 -1.23 0.00 -0.40 -0.81 0.00 0.00 175.30 173.38 1mr9 n ASP 85 N -2.97 0.00 0.00 -2.12 5.75 -1.26 -2.96 116.55 112.99 1mr9 n ASP 85 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1mr9 n ASP 85 Cb 0.60 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.15 1.96 3.60 6.12 0.00 -1.26 -5.11 105.19 109.35 1mr9 n GLY 86 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 1.00 6.06 0.58 1.61 0.15 -1.26 -4.95 113.70 116.89 1mr9 s SER 87 Ca 0.00 0.05 0.28 0.00 0.70 0.00 0.00 55.95 56.98 1mr9 s SER 87 Cb 0.00 -2.13 1.55 0.00 -1.71 0.00 0.00 66.02 63.73 1mr9 s SER 87 CO 0.00 -0.05 2.01 0.71 1.20 0.00 0.00 173.24 177.11 1mr9 h THR 88 N 5.31 0.46 -2.99 6.45 1.35 -1.95 -3.44 112.91 118.12 1mr9 h THR 88 Ca -0.35 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 64.96 1mr9 h THR 88 Cb 1.18 0.74 0.08 0.00 -1.73 0.00 0.00 68.15 68.42 1mr9 h THR 88 CO 0.58 0.00 0.83 0.00 -0.25 0.00 0.00 175.52 176.67 1mr9 n TYR 89 N -3.84 2.64 -3.18 4.73 4.19 -1.26 -4.42 117.16 116.02 1mr9 n TYR 89 Ca 0.05 0.27 -0.44 0.00 3.31 0.00 0.00 57.90 61.09 1mr9 n TYR 89 Cb 0.49 -2.57 0.00 0.00 0.49 0.00 0.00 39.34 37.76 1mr9 n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1mr9 n PRO 90 N 2.43 3.99 -0.32 2.98 -0.04 -1.26 -4.87 135.00 137.91 1mr9 n PRO 90 Ca 0.11 -4.50 0.14 0.00 -0.04 0.00 0.00 63.50 59.21 1mr9 n PRO 90 Cb 0.35 -2.53 0.37 0.00 -0.04 0.00 0.00 33.50 31.65 1mr9 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mr9 h PHE 91 N 6.07 0.91 -0.19 0.54 -1.00 -1.88 0.19 116.94 121.58 1mr9 h PHE 91 Ca 0.19 0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.05 1mr9 h PHE 91 Cb 0.75 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1mr9 h PHE 91 CO 0.88 0.23 0.17 -2.95 -1.61 0.00 0.00 178.31 175.04 1mr9 h ASN 92 N 0.68 0.00 -1.13 2.17 -1.07 -1.75 -1.97 115.58 112.52 1mr9 h ASN 92 Ca 0.53 0.00 0.32 0.00 0.07 0.00 0.00 56.30 57.22 1mr9 h ASN 92 Cb 0.94 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.09 1mr9 h ASN 92 CO -0.30 0.00 0.74 -0.07 0.07 0.00 0.00 177.43 177.87 1mr9 h LEU 93 N 0.00 0.33 -1.28 6.14 -0.00 -0.92 -2.74 115.31 116.84 1mr9 h LEU 93 Ca 0.09 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1mr9 h LEU 93 Cb 0.44 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1mr9 h LEU 93 CO -0.00 0.02 -0.06 0.49 -0.00 0.00 0.00 178.44 178.89 1mr9 n PHE 94 N -4.56 0.00 0.00 1.13 3.01 -0.74 -5.03 117.46 111.27 1mr9 n PHE 94 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1mr9 n PHE 94 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 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 0.73 2.49 4.20 1.37 0.00 -1.03 -4.76 105.19 108.18 1mr9 n GLY 95 Ca 0.06 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 1.85 -1.16 0.00 1.61 3.02 -1.26 0.71 115.26 120.03 1mr9 n ASN 96 Ca 0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1mr9 n ASN 96 Cb 0.00 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 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 -1.27 2.30 0.00 7.41 0.00 -1.26 -4.93 105.19 107.44 1mr9 n GLY 97 Ca 0.03 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.00 0.15 1.61 7.02 0.22 -3.70 117.44 122.74 1mr9 n TRP 98 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 1mr9 n TRP 98 Cb 0.00 -0.34 0.21 0.00 -2.42 0.00 0.00 31.31 28.76 1mr9 n TRP 98 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1mr9 h GLU 99 N 0.00 0.00 -0.83 -0.99 9.09 -1.76 -2.76 114.58 117.33 1mr9 h GLU 99 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.47 1mr9 h GLU 99 Cb 0.31 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.36 1mr9 h GLU 99 CO 0.00 0.54 0.54 1.57 0.05 0.00 0.00 179.01 181.71 1mr9 h LYS 100 N 0.00 0.91 -6.41 1.06 2.10 -1.92 -3.45 116.57 108.86 1mr9 h LYS 100 Ca -0.01 -0.05 -0.53 0.00 -2.00 0.00 0.00 60.65 58.06 1mr9 h LYS 100 Cb 1.06 -0.21 0.02 0.00 -0.90 0.00 0.00 32.23 32.20 1mr9 h LYS 100 CO 0.07 0.60 1.16 -1.01 -2.00 0.00 0.00 179.45 178.27 1mr9 s HIS 101 N -5.82 1.75 -0.01 0.07 3.76 -1.05 -5.08 115.29 108.91 1mr9 s HIS 101 Ca -0.11 -0.17 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1mr9 s HIS 101 Cb 0.19 -4.16 -0.01 0.00 1.11 0.00 0.00 32.58 29.71 1mr9 s HIS 101 CO 0.79 -5.00 -0.12 -1.25 -0.85 0.00 0.00 174.74 168.31 1mr9 s PRO 103 N 3.66 0.97 0.81 8.40 0.04 -1.26 -4.39 135.00 143.23 1mr9 s PRO 103 Ca 0.83 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.33 1mr9 s PRO 103 Cb -0.43 -0.93 0.08 0.00 0.04 0.00 0.00 34.50 33.26 1mr9 s PRO 103 CO 0.38 0.24 1.17 0.15 0.04 0.00 0.00 177.00 178.98 1mr9 s LYS 104 N -0.23 1.72 0.07 4.56 1.02 -1.26 -4.89 119.74 120.73 1mr9 s LYS 104 Ca 0.04 1.61 -0.25 0.00 0.02 0.00 0.00 55.97 57.39 1mr9 s LYS 104 Cb -0.05 -1.80 -0.16 0.00 -0.52 0.00 0.00 37.83 35.30 1mr9 s LYS 104 CO -0.00 -2.12 1.66 -0.07 -0.92 0.00 0.00 175.35 173.89 1mr9 h LEU 105 N -0.99 -0.15 -0.58 3.17 -0.00 -2.00 -0.68 115.31 114.08 1mr9 h LEU 105 Ca -0.45 -0.04 0.11 0.00 -0.00 0.00 0.00 57.88 57.49 1mr9 h LEU 105 Cb 1.28 0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 41.87 1mr9 h LEU 105 CO 0.47 -0.05 -0.18 0.47 -0.00 0.00 0.00 178.44 179.15 1mr9 n ASP 106 N -5.14 -0.27 0.00 -0.43 9.92 -1.26 -1.62 116.55 117.75 1mr9 n ASP 106 Ca -0.08 1.00 0.01 0.00 -0.53 0.00 0.00 54.79 55.19 1mr9 n ASP 106 Cb 0.12 -0.28 0.06 0.00 -0.64 0.00 0.00 41.12 40.38 1mr9 n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mr9 n GLN 107 N -4.91 0.99 -3.31 -1.24 6.02 -0.26 -4.79 117.38 109.88 1mr9 n GLN 107 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 1mr9 n GLN 107 Cb 0.27 -1.03 0.01 0.00 1.02 0.00 0.00 30.24 30.51 1mr9 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mr9 s LEU 108 N -1.06 3.23 -0.66 1.08 1.43 -0.64 -4.90 118.68 117.17 1mr9 s LEU 108 Ca 0.03 -0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 52.06 1mr9 s LEU 108 Cb 0.01 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1mr9 s LEU 108 CO 0.02 -0.99 1.28 -2.84 0.23 0.00 0.00 176.35 174.05 1mr9 s PRO 109 N -4.39 3.31 -0.37 1.29 0.02 -1.26 -5.00 135.00 128.60 1mr9 s PRO 109 Ca 0.52 0.05 -0.29 0.00 0.02 0.00 0.00 61.00 61.30 1mr9 s PRO 109 Cb -0.06 -4.12 0.01 0.00 0.02 0.00 0.00 34.50 30.36 1mr9 s PRO 109 CO 0.32 -1.97 1.26 0.42 -0.33 0.00 0.00 177.00 176.70 1mr9 s ILE 110 N 5.58 4.14 -0.00 2.83 1.01 -1.26 -4.81 121.20 128.69 1mr9 s ILE 110 Ca 0.41 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1mr9 s ILE 110 Cb -0.08 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1mr9 s ILE 110 CO 0.20 -0.66 0.00 0.29 0.00 0.00 0.00 174.94 174.77 1mr9 n LYS 111 N 7.56 2.25 0.00 2.79 4.76 -1.26 -5.14 118.16 129.12 1mr9 n LYS 111 Ca 0.14 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1mr9 n LYS 111 Cb 0.48 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1mr9 n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mr9 n GLY 112 N 2.76 -1.63 3.76 0.72 0.00 -1.26 -4.46 105.19 105.08 1mr9 n GLY 112 Ca -0.00 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 1mr9 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mr9 s ASP 113 N -2.98 5.95 -0.40 1.61 1.01 -1.26 -3.76 116.67 116.84 1mr9 s ASP 113 Ca 0.00 2.66 -0.24 0.00 0.71 0.00 0.00 52.55 55.68 1mr9 s ASP 113 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1mr9 s ASP 113 CO 0.00 -1.10 0.83 -0.89 0.21 0.00 0.00 175.17 174.22 1mr9 s THR 114 N -1.32 4.64 -0.23 -1.27 2.01 -0.74 -3.89 115.64 114.84 1mr9 s THR 114 Ca 0.63 0.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.41 1mr9 s THR 114 Cb -0.38 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.84 1mr9 s THR 114 CO 0.47 -0.58 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.13 1mr9 s ILE 115 N 3.32 3.17 -0.15 1.82 1.01 -0.32 -2.57 121.20 127.49 1mr9 s ILE 115 Ca 0.33 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1mr9 s ILE 115 Cb -0.12 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.87 1mr9 s ILE 115 CO 0.20 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.69 1mr9 s ILE 116 N 1.43 2.33 0.00 2.92 1.01 -0.38 -0.14 121.20 128.36 1mr9 s ILE 116 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1mr9 s ILE 116 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1mr9 s ILE 116 CO -0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1mr9 n GLY 117 N 4.11 -1.33 3.93 6.18 0.00 -0.16 -1.52 105.19 116.40 1mr9 n GLY 117 Ca -0.20 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.16 4.56 -1.17 1.61 -0.87 -1.26 -2.84 114.94 113.81 1mr9 s ASN 118 Ca 0.00 0.38 -0.02 0.00 -1.57 0.00 0.00 52.86 51.65 1mr9 s ASN 118 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 41.25 40.31 1mr9 s ASN 118 CO 0.00 -1.77 0.04 -0.67 -2.57 0.00 0.00 177.10 172.13 1mr9 n ASP 119 N -3.03 0.45 -4.40 -1.22 4.64 0.21 -2.16 116.55 111.04 1mr9 n ASP 119 Ca 0.09 -0.98 -0.30 0.00 -1.38 0.00 0.00 54.79 52.22 1mr9 n ASP 119 Cb 0.60 -1.22 -0.14 0.00 -1.04 0.00 0.00 41.12 39.33 1mr9 n ASP 119 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1mr9 s VAL 120 N -4.05 2.42 -0.19 5.18 0.11 -1.26 -2.55 120.40 120.06 1mr9 s VAL 120 Ca 0.03 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 57.70 1mr9 s VAL 120 Cb -0.02 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1mr9 s VAL 120 CO 0.76 0.30 -0.17 0.86 -3.33 0.00 0.00 175.10 173.52 1mr9 s TRP 121 N -0.91 2.71 -0.06 1.54 -0.00 -0.79 -0.57 118.94 120.86 1mr9 s TRP 121 Ca 0.13 -1.67 0.05 0.00 -0.00 0.00 0.00 56.10 54.61 1mr9 s TRP 121 Cb -0.10 -1.84 -0.01 0.00 -0.00 0.00 0.00 33.47 31.51 1mr9 s TRP 121 CO 0.04 -0.79 -0.22 0.42 -0.00 0.00 0.00 176.95 176.40 1mr9 s ILE 122 N 1.31 2.36 0.31 5.86 1.01 0.90 -1.49 121.20 131.45 1mr9 s ILE 122 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1mr9 s ILE 122 Cb -0.14 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1mr9 s ILE 122 CO -0.11 0.57 0.41 -0.83 0.00 0.00 0.00 174.94 174.98 1mr9 s GLY 123 N -0.23 1.55 -0.04 6.18 0.00 -1.18 0.25 107.32 113.85 1mr9 s GLY 123 Ca -0.01 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.20 1mr9 s GLY 123 CO 0.03 -1.39 0.20 0.28 0.00 0.00 0.00 173.10 172.22 1mr9 n LYS 124 N -1.53 0.00 -2.54 2.90 4.76 -1.26 -1.81 118.16 118.67 1mr9 n LYS 124 Ca -0.02 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.23 1mr9 n LYS 124 Cb 0.58 -0.23 0.01 0.00 -1.84 0.00 0.00 35.03 33.55 1mr9 n LYS 124 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1mr9 n ASP 125 N 0.42 -5.29 -4.76 4.39 8.00 0.20 -0.75 116.55 118.75 1mr9 n ASP 125 Ca 0.04 -0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.04 1mr9 n ASP 125 Cb 0.00 -4.28 -0.04 0.00 -0.02 0.00 0.00 41.12 36.78 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 -2.96 3.34 -0.16 2.53 1.01 -0.75 -3.88 120.40 119.52 1mr9 s VAL 126 Ca 0.09 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 1mr9 s VAL 126 Cb -0.04 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1mr9 s VAL 126 CO 0.11 0.31 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1mr9 s VAL 127 N -1.18 3.85 0.51 2.92 1.01 0.29 -1.73 120.40 126.08 1mr9 s VAL 127 Ca 0.46 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1mr9 s VAL 127 Cb -0.33 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1mr9 s VAL 127 CO 0.43 0.48 0.54 -0.63 0.00 0.00 0.00 175.10 175.92 1mr9 s ILE 128 N 0.50 2.16 0.11 2.22 -1.09 -0.54 -0.32 121.20 124.24 1mr9 s ILE 128 Ca -0.03 -1.25 -0.18 0.00 -2.23 0.00 0.00 60.65 56.96 1mr9 s ILE 128 Cb -0.14 -2.41 -0.07 0.00 -1.58 0.00 0.00 42.46 38.25 1mr9 s ILE 128 CO 0.03 0.00 0.58 -2.84 -1.23 0.00 0.00 174.94 171.48 1mr9 s PRO 130 N -4.38 4.14 -0.45 2.79 0.02 -0.99 0.92 135.00 137.05 1mr9 s PRO 130 Ca 0.48 0.68 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1mr9 s PRO 130 Cb -0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1mr9 s PRO 130 CO 0.30 0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.95 1mr9 n GLY 131 N 1.36 0.52 3.88 0.52 0.00 -1.25 -4.92 105.19 105.30 1mr9 n GLY 131 Ca -0.08 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.19 5.05 -0.32 1.61 -7.23 -1.26 -4.82 120.40 111.24 1mr9 s VAL 132 Ca 0.00 0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.55 1mr9 s VAL 132 Cb 0.00 -3.64 0.08 0.00 0.56 0.00 0.00 36.38 33.38 1mr9 s VAL 132 CO 0.00 0.13 0.03 -0.54 -0.31 0.00 0.00 175.10 174.41 1mr9 s LYS 133 N -2.34 1.99 -0.11 4.82 3.01 -1.26 -1.17 119.74 124.68 1mr9 s LYS 133 Ca 0.39 -1.60 -0.18 0.00 -1.01 0.00 0.00 55.97 53.57 1mr9 s LYS 133 Cb -0.13 -3.20 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 1mr9 s LYS 133 CO 0.21 -0.80 0.48 0.42 0.51 0.00 0.00 175.35 176.16 1mr9 s ILE 134 N 1.08 5.17 0.54 2.17 1.01 0.80 -2.81 121.20 129.15 1mr9 s ILE 134 Ca 0.02 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.50 1mr9 s ILE 134 Cb -0.20 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1mr9 s ILE 134 CO -0.05 0.34 0.96 -0.83 0.00 0.00 0.00 174.94 175.36 1mr9 s GLY 135 N 0.50 1.86 0.18 6.18 0.00 0.10 -0.99 107.32 115.16 1mr9 s GLY 135 Ca 0.26 -0.02 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 1mr9 s GLY 135 CO 0.11 0.24 0.94 1.22 0.00 0.00 0.00 173.10 175.60 1mr9 n ASP 136 N -2.03 0.44 0.00 1.64 10.43 -1.26 -2.50 116.55 123.27 1mr9 n ASP 136 Ca 0.05 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.56 1mr9 n ASP 136 Cb 0.54 -1.12 0.00 0.00 1.84 0.00 0.00 41.12 42.38 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 1.78 0.57 3.80 0.44 0.00 -0.92 0.55 105.19 111.42 1mr9 n GLY 137 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1mr9 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 s ALA 138 N -2.30 2.66 -0.14 4.61 0.00 -1.04 -3.57 121.76 121.98 1mr9 s ALA 138 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1mr9 s ALA 138 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1mr9 s ALA 138 CO 0.00 -1.02 -0.15 0.42 0.00 0.00 0.00 175.76 175.00 1mr9 s ILE 139 N -2.60 1.61 -0.27 0.00 1.01 -1.26 -1.88 121.20 117.80 1mr9 s ILE 139 Ca 0.63 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 1mr9 s ILE 139 Cb -0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1mr9 s ILE 139 CO 0.43 0.46 0.35 -0.69 0.00 0.00 0.00 174.94 175.49 1mr9 s VAL 140 N 1.25 5.19 0.80 2.92 1.01 -0.56 -0.24 120.40 130.78 1mr9 s VAL 140 Ca -0.00 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 1mr9 s VAL 140 Cb -0.14 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1mr9 s VAL 140 CO -0.07 0.17 1.19 0.00 0.00 0.00 0.00 175.10 176.39 1mr9 s ALA 141 N 2.03 1.87 0.82 5.51 0.00 0.43 -3.13 121.76 129.28 1mr9 s ALA 141 Ca 0.14 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1mr9 s ALA 141 Cb -0.16 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.57 1mr9 s ALA 141 CO 0.10 -2.24 1.13 0.00 0.00 0.00 0.00 175.76 174.74 1mr9 s ALA 142 N -2.20 1.94 -0.71 0.00 0.00 -1.26 -3.01 121.76 116.52 1mr9 s ALA 142 Ca 0.72 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1mr9 s ALA 142 Cb -0.28 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1mr9 s ALA 142 CO 0.50 -2.15 0.14 0.09 0.00 0.00 0.00 175.76 174.35 1mr9 n ASN 143 N -3.66 -2.42 -4.85 0.00 3.02 0.07 -4.76 115.26 102.66 1mr9 n ASN 143 Ca 0.11 0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.43 1mr9 n ASN 143 Cb 0.52 -2.11 -0.04 0.00 -0.61 0.00 0.00 39.78 37.54 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 -2.25 6.65 -0.26 6.41 0.01 -1.16 -4.70 113.70 118.39 1mr9 s SER 144 Ca 0.15 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1mr9 s SER 144 Cb -0.08 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.74 1mr9 s SER 144 CO 0.18 -0.48 -0.07 -0.69 0.41 0.00 0.00 173.24 172.59 1mr9 s VAL 145 N -2.45 2.55 -0.50 3.43 1.01 -0.21 -0.55 120.40 123.69 1mr9 s VAL 145 Ca 0.57 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1mr9 s VAL 145 Cb -0.10 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.92 1mr9 s VAL 145 CO 0.28 0.03 0.54 -0.69 0.00 0.00 0.00 175.10 175.26 1mr9 s VAL 146 N 1.20 5.01 -0.49 2.92 1.01 0.57 -0.11 120.40 130.51 1mr9 s VAL 146 Ca -0.05 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1mr9 s VAL 146 Cb -0.19 -4.24 0.14 0.00 0.00 0.00 0.00 36.38 32.09 1mr9 s VAL 146 CO -0.04 -0.73 1.08 1.33 0.00 0.00 0.00 175.10 176.74 1mr9 n VAL 147 N 5.46 0.89 -4.02 2.92 0.24 -1.26 -4.63 118.33 117.93 1mr9 n VAL 147 Ca -0.09 -0.94 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 1mr9 n VAL 147 Cb 0.45 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.94 1.40 0.34 7.34 3.01 -1.26 -4.98 119.74 124.64 1mr9 s LYS 148 Ca 0.11 -1.29 -0.28 0.00 -1.01 0.00 0.00 55.97 53.50 1mr9 s LYS 148 Cb 0.06 0.42 -0.10 0.00 -1.01 0.00 0.00 37.83 37.20 1mr9 s LYS 148 CO 0.08 -0.55 1.25 -0.51 0.51 0.00 0.00 175.35 176.13 1mr9 s ASP 149 N -3.03 6.78 -0.21 2.83 1.01 -1.26 -4.72 116.67 118.08 1mr9 s ASP 149 Ca 0.24 2.57 -0.05 0.00 0.71 0.00 0.00 52.55 56.03 1mr9 s ASP 149 Cb 0.01 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1mr9 s ASP 149 CO 0.07 -0.52 -0.01 -0.63 0.21 0.00 0.00 175.17 174.29 1mr9 s ILE 150 N -1.19 3.75 1.03 0.77 1.01 -1.12 -4.96 121.20 120.49 1mr9 s ILE 150 Ca 0.50 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 1mr9 s ILE 150 Cb -0.37 -2.70 0.21 0.00 0.01 0.00 0.00 42.46 39.61 1mr9 s ILE 150 CO 0.49 0.42 1.08 0.00 0.00 0.00 0.00 174.94 176.93 1mr9 s ALA 151 N 1.19 0.53 0.32 9.38 0.00 -1.26 0.02 121.76 131.95 1mr9 s ALA 151 Ca 0.03 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1mr9 s ALA 151 Cb -0.15 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1mr9 s ALA 151 CO 0.01 -3.21 1.37 -2.30 0.00 0.00 0.00 175.76 171.62 1mr9 n PRO 152 N -4.50 2.24 -2.91 0.00 -0.02 -1.26 -3.76 135.00 124.79 1mr9 n PRO 152 Ca 0.07 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.27 1mr9 n PRO 152 Cb 0.54 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.79 -3.14 -3.73 6.00 4.02 0.19 -4.84 117.16 116.44 1mr9 n TYR 153 Ca 0.06 1.34 -0.12 0.00 -0.01 0.00 0.00 57.90 59.17 1mr9 n TYR 153 Cb 0.36 -3.38 -0.12 0.00 -0.02 0.00 0.00 39.34 36.18 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 -1.91 0.45 0.04 7.72 2.96 -0.76 -2.14 118.68 125.04 1mr9 s LEU 155 Ca 0.11 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1mr9 s LEU 155 Cb -0.02 0.92 -0.03 0.00 0.50 0.00 0.00 46.19 47.55 1mr9 s LEU 155 CO 0.67 -0.15 -0.05 0.00 -1.32 0.00 0.00 176.35 175.50 1mr9 s ALA 156 N 0.99 0.46 -0.09 5.97 0.00 0.67 0.12 121.76 129.88 1mr9 s ALA 156 Ca -0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1mr9 s ALA 156 Cb -0.08 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.30 1mr9 s ALA 156 CO -0.07 -0.18 0.90 0.20 0.00 0.00 0.00 175.76 176.61 1mr9 s GLY 157 N -2.04 -0.39 0.00 0.00 0.00 -0.27 0.16 107.32 104.79 1mr9 s GLY 157 Ca -0.05 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1mr9 s GLY 157 CO -0.03 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1mr9 n GLY 158 N 0.47 2.14 2.49 0.20 0.00 -1.26 -1.62 105.19 107.61 1mr9 n GLY 158 Ca -0.12 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1mr9 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mr9 s ASN 159 N 0.00 2.94 0.33 1.61 3.04 -1.26 -1.04 114.94 120.55 1mr9 s ASN 159 Ca 0.00 -2.33 -0.22 0.00 0.04 0.00 0.00 52.86 50.36 1mr9 s ASN 159 Cb 0.00 -0.49 -0.10 0.00 -1.54 0.00 0.00 41.25 39.12 1mr9 s ASN 159 CO 0.00 -0.29 0.86 -2.16 -3.04 0.00 0.00 177.10 172.47 1mr9 s PRO 160 N 0.88 4.33 0.50 0.43 0.04 -1.26 -4.96 135.00 134.96 1mr9 s PRO 160 Ca 0.19 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 62.08 1mr9 s PRO 160 Cb -0.21 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1mr9 s PRO 160 CO -0.01 0.21 1.31 0.00 0.04 0.00 0.00 177.00 178.55 1mr9 s ALA 161 N -1.79 2.92 0.12 8.56 0.00 0.84 -4.92 121.76 127.49 1mr9 s ALA 161 Ca 0.52 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.73 1mr9 s ALA 161 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1mr9 s ALA 161 CO 0.19 -1.12 -0.08 -0.80 0.00 0.00 0.00 175.76 173.95 1mr9 s ASN 162 N -1.02 1.40 0.43 0.00 -0.87 -0.64 -4.73 114.94 109.51 1mr9 s ASN 162 Ca 0.67 -1.00 -0.25 0.00 -1.57 0.00 0.00 52.86 50.71 1mr9 s ASN 162 Cb -0.37 0.05 -0.08 0.00 -0.02 0.00 0.00 41.25 40.83 1mr9 s ASN 162 CO 0.45 -0.41 1.24 -1.61 -2.57 0.00 0.00 177.10 174.20 1mr9 s GLU 163 N -3.77 3.87 -0.02 -0.60 2.02 -1.26 -1.11 118.70 117.83 1mr9 s GLU 163 Ca 0.14 2.00 -0.06 0.00 0.02 0.00 0.00 54.97 57.06 1mr9 s GLU 163 Cb 0.04 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1mr9 s GLU 163 CO -0.03 -0.52 -0.12 -0.89 0.02 0.00 0.00 175.26 173.72 1mr9 n ILE 164 N -0.12 1.17 -3.61 -1.63 5.41 0.12 -4.88 119.36 115.82 1mr9 n ILE 164 Ca 0.05 0.23 -0.15 0.00 1.00 0.00 0.00 62.75 63.88 1mr9 n ILE 164 Cb 0.45 -1.81 -0.06 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.28 0.94 0.17 0.38 1.02 -1.16 -5.01 119.74 113.80 1mr9 s LYS 165 Ca -0.11 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1mr9 s LYS 165 Cb 0.02 0.43 -0.08 0.00 -0.52 0.00 0.00 37.83 37.68 1mr9 s LYS 165 CO 0.15 -0.31 1.27 -0.65 -0.92 0.00 0.00 175.35 174.90 1mr9 s GLN 166 N -1.75 4.42 0.19 1.68 -0.21 -1.26 -1.82 119.66 120.90 1mr9 s GLN 166 Ca -0.09 1.98 -0.06 0.00 0.02 0.00 0.00 55.36 57.20 1mr9 s GLN 166 Cb -0.02 -3.23 0.10 0.00 1.00 0.00 0.00 33.01 30.86 1mr9 s GLN 166 CO 0.04 -0.22 1.56 0.00 -2.12 0.00 0.00 175.29 174.55 1mr9 h ARG 167 N 5.60 0.80 -4.62 2.91 3.08 -1.80 -3.47 114.38 116.88 1mr9 h ARG 167 Ca -0.44 -0.38 -0.28 0.00 0.07 0.00 0.00 59.98 58.95 1mr9 h ARG 167 Cb 1.21 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 1mr9 h ARG 167 CO 0.78 1.01 -0.57 -0.06 -1.07 0.00 0.00 179.97 180.05 1mr9 s PHE 168 N -4.45 1.26 1.20 3.04 0.08 -1.26 -5.14 117.98 112.70 1mr9 s PHE 168 Ca -0.10 -1.42 -0.18 0.00 0.12 0.00 0.00 56.93 55.36 1mr9 s PHE 168 Cb 0.12 -0.56 0.23 0.00 -0.57 0.00 0.00 43.02 42.24 1mr9 s PHE 168 CO 0.85 -0.71 0.50 -3.47 -0.10 0.00 0.00 175.22 172.30 1mr9 n ASP 169 N -0.56 -2.81 0.11 1.36 2.03 -1.26 -4.79 116.55 110.63 1mr9 n ASP 169 Ca 0.03 -0.37 0.13 0.00 0.52 0.00 0.00 54.79 55.09 1mr9 n ASP 169 Cb 0.65 -0.99 0.42 0.00 -0.72 0.00 0.00 41.12 40.48 1mr9 n ASP 169 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mr9 n GLN 170 N -3.56 0.25 -0.02 -0.67 1.13 -1.26 -3.19 117.38 110.07 1mr9 n GLN 170 Ca 0.05 0.24 -0.16 0.00 -1.94 0.00 0.00 57.00 55.19 1mr9 n GLN 170 Cb 0.54 -1.81 -0.12 0.00 0.11 0.00 0.00 30.24 28.96 1mr9 n GLN 170 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1mr9 h ASP 171 N 0.00 0.26 0.17 1.08 1.82 -1.99 -2.82 116.42 114.94 1mr9 h ASP 171 Ca 0.00 -0.84 -0.01 0.00 -0.39 0.00 0.00 57.03 55.80 1mr9 h ASP 171 Cb 0.68 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1mr9 h ASP 171 CO 0.00 1.06 -0.08 0.74 -1.61 0.00 0.00 179.24 179.35 1mr9 h THR 172 N -0.52 0.92 0.00 2.25 2.02 -1.90 0.15 112.91 115.82 1mr9 h THR 172 Ca -0.05 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1mr9 h THR 172 Cb 1.13 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1mr9 h THR 172 CO 0.06 0.10 0.00 -0.38 0.37 0.00 0.00 175.52 175.67 1mr9 n ILE 173 N -5.10 0.00 -0.13 3.11 5.41 -1.19 -0.00 119.36 121.46 1mr9 n ILE 173 Ca -0.09 1.36 -0.03 0.00 1.00 0.00 0.00 62.75 64.99 1mr9 n ILE 173 Cb 0.18 -1.99 -0.03 0.00 -0.71 0.00 0.00 39.64 37.09 1mr9 n ILE 173 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1mr9 n ASN 174 N -2.23 -0.32 -0.29 4.38 3.02 -1.06 0.94 115.26 119.70 1mr9 n ASN 174 Ca 0.00 1.02 0.11 0.00 -0.03 0.00 0.00 54.58 55.68 1mr9 n ASN 174 Cb 0.00 -0.31 0.27 0.00 -0.61 0.00 0.00 39.78 39.14 1mr9 n ASN 174 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1mr9 h GLN 175 N 0.00 0.36 -0.38 3.52 4.20 -0.64 -1.41 115.11 120.76 1mr9 h GLN 175 Ca 0.05 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1mr9 h GLN 175 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1mr9 h GLN 175 CO -0.28 0.24 -0.25 -0.07 -0.67 0.00 0.00 178.83 177.80 1mr9 h LEU 176 N 0.37 0.80 -1.86 1.46 3.38 0.44 0.85 115.31 120.75 1mr9 h LEU 176 Ca 0.52 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1mr9 h LEU 176 Cb 0.97 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1mr9 h LEU 176 CO -0.52 1.01 -0.00 -0.07 0.09 0.00 0.00 178.44 178.95 1mr9 h LEU 177 N 0.68 0.00 0.00 1.67 3.38 0.72 -2.16 115.31 119.59 1mr9 h LEU 177 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mr9 h LEU 177 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1mr9 h LEU 177 CO 0.06 0.00 -0.46 0.44 0.09 0.00 0.00 178.44 178.58 1mr9 h ASP 178 N 0.00 0.00 -0.10 -0.43 3.32 -0.53 -3.38 116.42 115.30 1mr9 h ASP 178 Ca -0.00 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1mr9 h ASP 178 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1mr9 h ASP 178 CO 0.00 0.79 0.09 0.40 -1.72 0.00 0.00 179.24 178.80 1mr9 h ILE 179 N -1.00 0.66 -6.55 0.35 2.04 -0.89 -3.46 117.51 108.66 1mr9 h ILE 179 Ca -0.04 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.44 1mr9 h ILE 179 Cb 0.50 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1mr9 h ILE 179 CO -0.02 0.00 -0.78 0.29 0.00 0.00 0.00 178.15 177.63 1mr9 n LYS 180 N -4.08 -0.90 -0.12 2.37 5.02 -0.82 -4.83 118.16 114.81 1mr9 n LYS 180 Ca -0.00 0.33 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1mr9 n LYS 180 Cb 0.20 -1.56 0.34 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.30 0.74 0.00 2.13 5.08 -1.90 -2.06 115.95 119.64 1mr9 h TRP 181 Ca -0.48 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1mr9 h TRP 181 Cb 1.02 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1mr9 h TRP 181 CO 0.20 0.46 0.00 -2.67 -1.28 0.00 0.00 178.44 175.14 1mr9 n TRP 182 N -4.45 0.72 0.50 0.12 2.14 -1.26 0.16 117.44 115.37 1mr9 n TRP 182 Ca 0.06 0.35 0.12 0.00 2.07 0.00 0.00 57.50 60.11 1mr9 n TRP 182 Cb 0.07 -1.07 0.23 0.00 -0.81 0.00 0.00 31.31 29.73 1mr9 n TRP 182 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 1mr9 h ASN 183 N 0.00 0.00 -3.79 -0.67 2.35 -1.72 -3.47 115.58 108.28 1mr9 h ASN 183 Ca 0.00 -0.10 -0.56 0.00 -0.55 0.00 0.00 56.30 55.09 1mr9 h ASN 183 Cb 0.08 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.62 1mr9 h ASN 183 CO 0.00 0.05 0.18 0.79 -1.65 0.00 0.00 177.43 176.80 1mr9 n TRP 184 N -2.34 0.94 -1.76 1.19 8.01 0.42 -4.92 117.44 118.99 1mr9 n TRP 184 Ca 0.04 0.41 -0.41 0.00 -1.31 0.00 0.00 57.50 56.22 1mr9 n TRP 184 Cb 0.46 -2.13 -0.01 0.00 -2.01 0.00 0.00 31.31 27.62 1mr9 n TRP 184 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1mr9 s PRO 185 N -3.19 4.10 0.39 -0.99 0.02 -1.26 -4.68 135.00 129.39 1mr9 s PRO 185 Ca 0.76 2.61 0.20 0.00 0.02 0.00 0.00 61.00 64.59 1mr9 s PRO 185 Cb -0.37 -3.01 1.16 0.00 0.02 0.00 0.00 34.50 32.31 1mr9 s PRO 185 CO 0.47 -0.64 1.71 0.97 -0.33 0.00 0.00 177.00 179.18 1mr9 h ILE 186 N 3.32 0.39 -0.07 2.83 6.09 -1.95 0.66 117.51 128.78 1mr9 h ILE 186 Ca -0.48 -0.11 -0.19 0.00 -1.37 0.00 0.00 64.86 62.72 1mr9 h ILE 186 Cb 1.22 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.55 1mr9 h ILE 186 CO 0.78 0.06 -0.74 -2.24 -3.07 0.00 0.00 178.15 172.93 1mr9 h ASP 187 N 0.32 0.47 0.06 2.19 2.03 -1.97 1.42 116.42 120.94 1mr9 h ASP 187 Ca 0.68 -0.32 -0.21 0.00 -0.73 0.00 0.00 57.03 56.45 1mr9 h ASP 187 Cb 1.77 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1mr9 h ASP 187 CO -0.39 1.06 -0.79 0.40 -1.03 0.00 0.00 179.24 178.49 1mr9 h ILE 188 N 0.27 1.33 -0.49 4.15 2.04 -1.10 -2.86 117.51 120.84 1mr9 h ILE 188 Ca -0.03 -2.10 0.08 0.00 1.00 0.00 0.00 64.86 63.81 1mr9 h ILE 188 Cb 1.32 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 1mr9 h ILE 188 CO 0.13 0.65 0.11 0.40 0.00 0.00 0.00 178.15 179.44 1mr9 h ILE 189 N 0.40 0.75 0.00 -0.67 2.04 0.86 -2.60 117.51 118.29 1mr9 h ILE 189 Ca -0.05 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1mr9 h ILE 189 Cb 1.40 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1mr9 h ILE 189 CO 0.15 0.05 0.00 0.78 0.00 0.00 0.00 178.15 179.13 1mr9 h ASN 190 N 0.25 0.00 1.48 1.72 2.35 0.20 -1.66 115.58 119.92 1mr9 h ASN 190 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1mr9 h ASN 190 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1mr9 h ASN 190 CO -0.31 0.00 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.07 1mr9 h GLU 191 N 0.00 0.00 0.00 0.81 3.07 -1.23 -3.36 114.58 113.87 1mr9 h GLU 191 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mr9 h GLU 191 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1mr9 h GLU 191 CO 0.00 0.00 -0.10 0.09 -1.40 0.00 0.00 179.01 177.60 1mr9 n ASN 192 N -2.36 1.27 -0.04 1.42 3.02 -0.65 -4.82 115.26 113.09 1mr9 n ASN 192 Ca 0.05 -2.10 -0.11 0.00 -0.03 0.00 0.00 54.58 52.39 1mr9 n ASN 192 Cb 0.45 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 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 2.07 0.19 0.00 2.41 2.04 -1.63 0.45 117.51 123.03 1mr9 h ILE 193 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1mr9 h ILE 193 Cb 0.93 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1mr9 h ILE 193 CO 0.00 0.00 -0.05 0.44 0.00 0.00 0.00 178.15 178.54 1mr9 h ASP 194 N -0.41 0.00 0.25 1.72 3.32 -1.91 -0.58 116.42 118.82 1mr9 h ASP 194 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1mr9 h ASP 194 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1mr9 h ASP 194 CO -0.44 0.05 -0.81 0.29 -1.72 0.00 0.00 179.24 176.62 1mr9 n LYS 195 N -4.15 0.04 0.18 3.56 4.76 -0.37 -3.04 118.16 119.14 1mr9 n LYS 195 Ca -0.03 -0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.52 1mr9 n LYS 195 Cb 0.14 -1.51 0.10 0.00 -1.84 0.00 0.00 35.03 31.92 1mr9 n LYS 195 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1mr9 h ILE 196 N 0.00 0.06 0.00 -0.18 2.04 0.11 -2.19 117.51 117.35 1mr9 h ILE 196 Ca 0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1mr9 h ILE 196 Cb 0.53 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1mr9 h ILE 196 CO 0.00 0.03 -0.28 0.18 0.00 0.00 0.00 178.15 178.09 1mr9 n LEU 197 N -2.97 0.52 -0.01 1.44 4.77 -0.35 -3.55 117.00 116.85 1mr9 n LEU 197 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1mr9 n LEU 197 Cb 0.55 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1mr9 n LEU 197 CO 0.36 -0.04 0.37 -0.90 -1.33 0.00 0.00 177.39 175.86 1mr9 n ASP 198 N -1.88 1.50 -0.11 -1.43 5.68 -1.22 -4.99 116.55 114.09 1mr9 n ASP 198 Ca 0.05 -1.49 -0.01 0.00 -0.50 0.00 0.00 54.79 52.84 1mr9 n ASP 198 Cb 0.39 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.36 1mr9 n ASP 198 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1mr9 n ASN 199 N -0.23 -3.66 -1.86 -1.12 4.05 -1.21 -4.89 115.26 106.34 1mr9 n ASN 199 Ca 0.00 0.04 0.07 0.00 0.45 0.00 0.00 54.58 55.13 1mr9 n ASN 199 Cb 0.12 -1.29 0.40 0.00 1.23 0.00 0.00 39.78 40.25 1mr9 n ASN 199 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1mr9 n SER 200 N 0.21 5.67 0.10 1.20 3.41 -0.87 -3.44 113.62 119.89 1mr9 n SER 200 Ca -0.01 -2.95 -0.03 0.00 -0.26 0.00 0.00 58.87 55.62 1mr9 n SER 200 Cb 0.13 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 1mr9 n SER 200 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1mr9 h ILE 201 N 3.88 1.31 -0.87 -1.33 3.07 -1.79 -3.25 117.51 118.54 1mr9 h ILE 201 Ca 0.01 -2.85 0.14 0.00 1.55 0.00 0.00 64.86 63.71 1mr9 h ILE 201 Cb 1.98 2.64 -0.09 0.00 -0.27 0.00 0.00 36.82 41.09 1mr9 h ILE 201 CO 0.49 0.74 0.47 0.40 -1.05 0.00 0.00 178.15 179.20 1mr9 h ILE 202 N 0.00 0.76 -0.02 0.16 2.04 -1.87 -3.52 117.51 115.06 1mr9 h ILE 202 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1mr9 h ILE 202 Cb 1.59 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1mr9 h ILE 202 CO 0.10 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.91