#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 -1.24 -0.25 1.61 0.04 -1.26 -5.02 135.00 128.88 1mr9 s PRO 3 Ca 0.00 0.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.01 1mr9 s PRO 3 Cb 0.00 -1.59 0.01 0.00 0.04 0.00 0.00 34.50 32.96 1mr9 s PRO 3 CO 0.00 -3.74 -0.00 1.21 0.04 0.00 0.00 177.00 174.51 1mr9 s ASN 4 N -3.76 4.60 0.00 6.66 3.84 -1.26 -5.10 114.94 119.92 1mr9 s ASN 4 Ca 0.70 -0.63 0.00 0.00 0.21 0.00 0.00 52.86 53.14 1mr9 s ASN 4 Cb -0.11 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 1mr9 s ASN 4 CO 0.56 -0.11 0.59 -0.81 -2.79 0.00 0.00 177.10 174.54 1mr9 n PRO 5 N 4.79 0.30 0.00 0.43 -0.04 -1.26 -4.92 135.00 134.29 1mr9 n PRO 5 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1mr9 n PRO 5 Cb 0.49 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1mr9 n PRO 5 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1mr9 n LYS 7 N 1.82 0.00 -1.08 0.54 0.00 -1.26 -4.59 118.16 113.59 1mr9 n LYS 7 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.06 1mr9 n LYS 7 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.05 1mr9 n LYS 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1mr9 n TYR 9 N 0.00 0.26 0.84 5.64 4.02 -1.26 -4.43 117.16 122.23 1mr9 n TYR 9 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1mr9 n TYR 9 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 39.34 38.09 1mr9 n TYR 9 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1mr9 n PRO 10 N 5.35 0.84 -3.81 -0.72 -0.04 -1.26 -4.72 135.00 130.64 1mr9 n PRO 10 Ca 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1mr9 n PRO 10 Cb 0.05 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 1mr9 n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mr9 s ILE 11 N -0.82 -0.03 -0.37 0.52 1.01 -1.26 -4.97 121.20 115.28 1mr9 s ILE 11 Ca 0.00 0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 1mr9 s ILE 11 Cb 0.00 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1mr9 s ILE 11 CO 0.00 0.04 0.74 -1.61 0.00 0.00 0.00 174.94 174.12 1mr9 s GLU 12 N 0.58 3.70 0.00 2.79 0.41 -1.26 -4.25 118.70 120.67 1mr9 s GLU 12 Ca -0.05 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1mr9 s GLU 12 Cb -0.06 -3.82 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1mr9 s GLU 12 CO -0.02 -0.84 0.00 0.41 -0.49 0.00 0.00 175.26 174.31 1mr9 n GLY 13 N 4.61 2.08 3.41 -1.39 0.00 -1.26 -5.08 105.19 107.56 1mr9 n GLY 13 Ca 0.02 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.34 5.54 0.00 1.61 3.84 -1.26 -4.90 114.94 119.44 1mr9 s ASN 14 Ca 0.00 -0.65 0.31 0.00 0.21 0.00 0.00 52.86 52.72 1mr9 s ASN 14 Cb 0.00 -1.99 1.66 0.00 -0.55 0.00 0.00 41.25 40.37 1mr9 s ASN 14 CO 0.00 -0.24 2.10 0.29 -2.79 0.00 0.00 177.10 176.46 1mr9 n LYS 15 N 4.97 0.96 -0.06 0.43 4.76 -1.26 -4.05 118.16 123.91 1mr9 n LYS 15 Ca -0.13 -0.15 -0.09 0.00 -2.87 0.00 0.00 58.31 55.07 1mr9 n LYS 15 Cb 0.48 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 1mr9 n LYS 15 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1mr9 h SER 16 N 0.37 -0.00 -2.58 4.39 0.87 -1.92 -3.45 113.55 111.23 1mr9 h SER 16 Ca 0.00 -0.61 -0.54 0.00 -1.23 0.00 0.00 61.79 59.41 1mr9 h SER 16 Cb 0.15 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.17 1mr9 h SER 16 CO 0.00 0.80 0.93 0.52 -0.53 0.00 0.00 176.83 178.55 1mr9 n VAL 17 N -4.68 0.09 -3.98 2.23 0.31 -1.25 -2.49 118.33 108.56 1mr9 n VAL 17 Ca -0.06 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 1mr9 n VAL 17 Cb 0.29 -1.84 -0.17 0.00 -0.91 0.00 0.00 33.84 31.21 1mr9 n VAL 17 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1mr9 s GLN 18 N 0.94 0.73 -0.05 5.55 -0.21 0.07 -4.53 119.66 122.16 1mr9 s GLN 18 Ca 0.75 -0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.82 1mr9 s GLN 18 Cb -0.56 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.52 1mr9 s GLN 18 CO 0.35 -0.18 1.49 -0.06 -2.12 0.00 0.00 175.29 174.78 1mr9 s PHE 19 N 1.35 2.46 0.07 0.91 2.99 -1.26 -0.49 117.98 124.01 1mr9 s PHE 19 Ca -0.04 0.57 0.17 0.00 0.00 0.00 0.00 56.93 57.63 1mr9 s PHE 19 Cb -0.13 -3.75 0.47 0.00 0.00 0.00 0.00 43.02 39.60 1mr9 s PHE 19 CO -0.02 -2.97 1.63 0.82 -0.00 0.00 0.00 175.22 174.68 1mr9 h ILE 20 N 5.30 0.90 0.62 0.64 2.04 -1.69 -3.20 117.51 122.12 1mr9 h ILE 20 Ca -0.36 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 1mr9 h ILE 20 Cb 1.16 2.11 0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1mr9 h ILE 20 CO 0.94 0.43 -0.30 0.50 0.00 0.00 0.00 178.15 179.72 1mr9 h LYS 21 N 0.00 -0.80 0.00 2.37 3.64 -1.83 0.59 116.57 120.55 1mr9 h LYS 21 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1mr9 h LYS 21 Cb 1.08 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1mr9 h LYS 21 CO 0.06 -0.51 0.16 -2.30 -2.27 0.00 0.00 179.45 174.59 1mr9 n PRO 22 N -5.34 0.00 -0.01 1.90 -0.02 -1.21 -1.55 135.00 128.78 1mr9 n PRO 22 Ca -0.11 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.45 1mr9 n PRO 22 Cb 0.34 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1mr9 n PRO 22 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1mr9 n ILE 23 N -0.94 0.14 -3.08 4.25 5.41 -0.76 -5.05 119.36 119.33 1mr9 n ILE 23 Ca 0.00 -0.05 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 1mr9 n ILE 23 Cb 0.16 -0.60 -0.05 0.00 -0.71 0.00 0.00 39.64 38.43 1mr9 n ILE 23 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1mr9 s LEU 24 N -5.10 4.40 0.00 1.39 1.43 0.20 -4.87 118.68 116.13 1mr9 s LEU 24 Ca -0.03 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1mr9 s LEU 24 Cb 0.01 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1mr9 s LEU 24 CO 0.06 0.01 0.00 0.18 0.23 0.00 0.00 176.35 176.82 1mr9 n LEU 27 N 3.07 0.00 -4.77 1.79 4.77 -1.26 -4.88 117.00 115.72 1mr9 n LEU 27 Ca -0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 1mr9 n LEU 27 Cb 0.51 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1mr9 n LEU 27 CO 0.46 0.00 0.71 -0.70 -1.33 0.00 0.00 177.39 176.53 1mr9 s GLU 28 N -0.42 2.43 -1.24 3.23 2.12 -1.26 -3.32 118.70 120.23 1mr9 s GLU 28 Ca 0.00 1.21 -0.16 0.00 0.36 0.00 0.00 54.97 56.38 1mr9 s GLU 28 Cb 0.00 -1.92 0.16 0.00 0.26 0.00 0.00 34.13 32.63 1mr9 s GLU 28 CO 0.00 -1.52 0.39 0.09 -0.54 0.00 0.00 175.26 173.69 1mr9 n ASN 29 N -3.24 -1.53 -4.07 -1.70 4.13 -1.26 -4.92 115.26 102.67 1mr9 n ASN 29 Ca 0.09 -0.65 -0.30 0.00 1.68 0.00 0.00 54.58 55.40 1mr9 n ASN 29 Cb 0.53 -1.38 -0.17 0.00 -1.54 0.00 0.00 39.78 37.22 1mr9 n ASN 29 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mr9 s VAL 30 N -2.80 1.62 -0.15 2.41 1.01 -1.21 -3.25 120.40 118.03 1mr9 s VAL 30 Ca 0.55 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1mr9 s VAL 30 Cb -0.32 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1mr9 s VAL 30 CO 0.68 0.47 -0.09 -0.70 0.00 0.00 0.00 175.10 175.45 1mr9 s GLU 31 N 1.06 3.46 -0.08 2.72 2.12 0.16 -5.00 118.70 123.15 1mr9 s GLU 31 Ca -0.04 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1mr9 s GLU 31 Cb -0.15 -2.77 0.04 0.00 0.26 0.00 0.00 34.13 31.51 1mr9 s GLU 31 CO -0.04 0.16 0.06 0.08 -0.54 0.00 0.00 175.26 174.98 1mr9 s VAL 32 N 0.53 -0.05 0.86 3.70 1.01 -1.26 -1.46 120.40 123.73 1mr9 s VAL 32 Ca -0.06 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1mr9 s VAL 32 Cb -0.15 -0.30 0.11 0.00 0.00 0.00 0.00 36.38 36.04 1mr9 s VAL 32 CO 0.03 0.07 1.09 -0.83 0.00 0.00 0.00 175.10 175.47 1mr9 s GLY 33 N 2.14 1.63 0.39 4.51 0.00 0.22 -4.82 107.32 111.39 1mr9 s GLY 33 Ca 0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 1mr9 s GLY 33 CO -0.05 0.42 0.74 -0.54 0.00 0.00 0.00 173.10 173.68 1mr9 s GLU 34 N -4.96 3.76 0.00 2.90 8.01 -1.26 -3.96 118.70 123.19 1mr9 s GLU 34 Ca 0.63 0.41 0.00 0.00 0.01 0.00 0.00 54.97 56.02 1mr9 s GLU 34 Cb -0.17 -2.42 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 1mr9 s GLU 34 CO 0.56 -0.00 0.00 0.66 0.01 0.00 0.00 175.26 176.49 1mr9 n TYR 35 N -1.24 0.00 -1.85 1.61 4.02 -1.26 -1.99 117.16 116.45 1mr9 n TYR 35 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 1mr9 n TYR 35 Cb 0.54 -0.10 -0.01 0.00 -0.02 0.00 0.00 39.34 39.74 1mr9 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1mr9 s SER 36 N -1.51 6.45 0.07 7.72 0.01 -1.25 -4.42 113.70 120.76 1mr9 s SER 36 Ca 0.00 2.89 0.01 0.00 1.31 0.00 0.00 55.95 60.16 1mr9 s SER 36 Cb 0.00 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1mr9 s SER 36 CO 0.00 -0.84 0.03 0.00 0.41 0.00 0.00 173.24 172.84 1mr9 n TYR 37 N 1.81 -0.02 -3.64 2.43 0.18 -0.53 -1.92 117.16 115.47 1mr9 n TYR 37 Ca 0.06 -0.45 -0.07 0.00 1.88 0.00 0.00 57.90 59.32 1mr9 n TYR 37 Cb 0.39 0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.29 1mr9 n TYR 37 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1mr9 s TYR 38 N -1.92 -1.07 -0.42 -3.48 5.04 0.36 -3.17 117.35 112.69 1mr9 s TYR 38 Ca 0.04 2.12 -0.16 0.00 -2.44 0.00 0.00 57.07 56.64 1mr9 s TYR 38 Cb 0.00 0.64 0.03 0.00 0.35 0.00 0.00 41.96 42.98 1mr9 s TYR 38 CO 0.03 -0.53 0.37 0.34 -1.34 0.00 0.00 175.55 174.42 1mr9 s ASP 39 N 1.69 6.15 0.42 4.32 -1.08 -0.84 -0.75 116.67 126.57 1mr9 s ASP 39 Ca -0.10 -0.87 -0.25 0.00 -0.52 0.00 0.00 52.55 50.81 1mr9 s ASP 39 Cb -0.05 -2.19 -0.08 0.00 -1.46 0.00 0.00 42.92 39.13 1mr9 s ASP 39 CO -0.20 -0.54 1.26 -0.55 0.52 0.00 0.00 175.17 175.67 1mr9 s SER 40 N 1.87 6.27 0.01 -0.34 0.15 -1.04 -2.83 113.70 117.79 1mr9 s SER 40 Ca 0.08 2.55 -0.18 0.00 0.70 0.00 0.00 55.95 59.10 1mr9 s SER 40 Cb -0.19 -2.63 -0.33 0.00 -1.71 0.00 0.00 66.02 61.16 1mr9 s SER 40 CO 0.11 -0.87 0.98 0.50 1.20 0.00 0.00 173.24 175.16 1mr9 h LYS 41 N 2.52 0.47 0.00 5.44 1.63 -1.90 -3.43 116.57 121.30 1mr9 h LYS 41 Ca -0.49 -0.76 -0.12 0.00 -0.85 0.00 0.00 60.65 58.42 1mr9 h LYS 41 Cb 1.25 0.28 -0.16 0.00 -0.60 0.00 0.00 32.23 32.99 1mr9 h LYS 41 CO 0.62 1.36 -0.40 0.09 -3.45 0.00 0.00 179.45 177.66 1mr9 n ASN 42 N -3.89 -0.51 0.00 4.20 4.13 -1.26 -5.00 115.26 112.93 1mr9 n ASN 42 Ca -0.15 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.20 1mr9 n ASN 42 Cb 0.98 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 39.37 1mr9 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mr9 n GLY 43 N 0.09 2.60 3.75 7.41 0.00 -1.26 -5.09 105.19 112.69 1mr9 n GLY 43 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1mr9 n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mr9 s GLU 44 N -0.37 2.54 0.32 1.61 1.03 -1.26 -5.03 118.70 117.55 1mr9 s GLU 44 Ca 0.00 1.56 -0.03 0.00 0.03 0.00 0.00 54.97 56.53 1mr9 s GLU 44 Cb 0.00 -1.90 -0.04 0.00 -0.80 0.00 0.00 34.13 31.38 1mr9 s GLU 44 CO 0.00 -1.48 0.57 0.95 -1.33 0.00 0.00 175.26 173.96 1mr9 s THR 45 N -2.15 5.05 0.29 1.83 -4.23 -1.26 -4.67 115.64 110.49 1mr9 s THR 45 Ca 0.70 -0.13 0.36 0.00 -1.18 0.00 0.00 61.69 61.45 1mr9 s THR 45 Cb -0.24 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.17 1mr9 s THR 45 CO 0.42 -0.45 2.09 0.15 -0.54 0.00 0.00 174.62 176.30 1mr9 h PHE 46 N 1.24 0.00 0.00 3.99 3.57 -1.96 -2.40 116.94 121.38 1mr9 h PHE 46 Ca -0.48 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1mr9 h PHE 46 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1mr9 h PHE 46 CO 0.55 0.00 -0.13 0.38 -2.23 0.00 0.00 178.31 176.89 1mr9 h ASP 47 N 0.00 0.00 -0.19 0.41 3.04 -1.94 0.54 116.42 118.28 1mr9 h ASP 47 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1mr9 h ASP 47 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1mr9 h ASP 47 CO 0.00 0.13 0.00 0.29 -2.04 0.00 0.00 179.24 177.62 1mr9 n LYS 48 N -3.49 1.44 0.00 4.15 4.76 -0.90 -3.58 118.16 120.53 1mr9 n LYS 48 Ca -0.01 -0.68 0.06 0.00 -2.87 0.00 0.00 58.31 54.80 1mr9 n LYS 48 Cb 0.28 -1.15 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 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 0.05 2.62 -3.27 1.97 1.13 0.18 -4.79 117.38 115.27 1mr9 n GLN 49 Ca 0.06 -0.32 -0.44 0.00 -1.94 0.00 0.00 57.00 54.36 1mr9 n GLN 49 Cb 0.16 -1.09 -0.06 0.00 0.11 0.00 0.00 30.24 29.36 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 -1.82 5.07 0.00 5.09 1.09 -1.24 -0.66 121.20 128.73 1mr9 s ILE 50 Ca 0.07 -0.94 -0.04 0.00 -1.10 0.00 0.00 60.65 58.64 1mr9 s ILE 50 Cb 0.09 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 1mr9 s ILE 50 CO 0.39 -0.76 0.22 -0.76 -0.10 0.00 0.00 174.94 173.94 1mr9 s LEU 51 N 2.07 4.37 -1.15 2.97 1.43 0.58 -4.65 118.68 124.30 1mr9 s LEU 51 Ca 0.08 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1mr9 s LEU 51 Cb -0.23 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1mr9 s LEU 51 CO 0.08 0.25 0.97 -1.22 0.23 0.00 0.00 176.35 176.66 1mr9 n TYR 52 N 0.97 -2.27 -3.75 0.29 4.02 -1.26 -4.44 117.16 110.72 1mr9 n TYR 52 Ca -0.11 0.91 -0.37 0.00 -0.01 0.00 0.00 57.90 58.32 1mr9 n TYR 52 Cb 0.53 -4.78 -0.12 0.00 -0.02 0.00 0.00 39.34 34.95 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 -3.37 3.37 -0.32 -0.72 2.46 -1.26 -1.45 115.29 114.00 1mr9 s HIS 53 Ca 0.14 -1.82 0.02 0.00 0.47 0.00 0.00 55.06 53.88 1mr9 s HIS 53 Cb -0.02 -2.70 0.10 0.00 -0.13 0.00 0.00 32.58 29.83 1mr9 s HIS 53 CO 0.73 -0.85 0.06 0.71 -2.47 0.00 0.00 174.74 172.92 1mr9 s TYR 54 N 1.31 3.01 0.39 3.88 2.02 -1.26 -4.99 117.35 121.70 1mr9 s TYR 54 Ca 0.02 -2.51 0.28 0.00 -0.37 0.00 0.00 57.07 54.48 1mr9 s TYR 54 Cb -0.21 -2.43 1.33 0.00 -0.40 0.00 0.00 41.96 40.24 1mr9 s TYR 54 CO -0.00 -0.92 1.42 -2.30 -1.57 0.00 0.00 175.55 172.18 1mr9 n PRO 55 N 4.47 -0.04 -0.07 -1.71 -0.02 -1.26 0.29 135.00 136.66 1mr9 n PRO 55 Ca 0.01 1.15 0.25 0.00 -2.02 0.00 0.00 63.50 62.89 1mr9 n PRO 55 Cb 0.42 -2.24 0.57 0.00 -0.02 0.00 0.00 33.50 32.23 1mr9 n PRO 55 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mr9 h ILE 56 N 0.00 0.15 0.00 4.25 2.10 -2.00 0.23 117.51 122.24 1mr9 h ILE 56 Ca 0.79 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.70 1mr9 h ILE 56 Cb 2.48 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 1mr9 h ILE 56 CO -0.47 0.00 -1.76 0.18 -1.08 0.00 0.00 178.15 175.02 1mr9 n LEU 57 N -3.42 0.24 -1.85 2.19 4.77 0.85 -5.00 117.00 114.78 1mr9 n LEU 57 Ca 0.16 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 1mr9 n LEU 57 Cb 1.13 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 42.26 1mr9 n LEU 57 CO 0.25 -0.01 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.05 1mr9 n ASN 58 N -2.42 -4.32 -4.62 -1.43 5.15 0.81 -5.02 115.26 103.42 1mr9 n ASN 58 Ca -0.05 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.45 1mr9 n ASN 58 Cb 0.61 -3.28 -0.11 0.00 -0.53 0.00 0.00 39.78 36.48 1mr9 n ASN 58 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1mr9 s ASP 59 N -2.72 4.85 0.32 1.20 1.11 -1.26 -5.05 116.67 115.12 1mr9 s ASP 59 Ca 0.14 0.03 0.07 0.00 0.18 0.00 0.00 52.55 52.97 1mr9 s ASP 59 Cb -0.06 -1.27 -0.02 0.00 1.07 0.00 0.00 42.92 42.64 1mr9 s ASP 59 CO 0.18 0.36 0.37 -0.54 1.18 0.00 0.00 175.17 176.72 1mr9 s LYS 60 N -0.87 2.97 -0.05 8.23 1.02 -1.26 -4.95 119.74 124.83 1mr9 s LYS 60 Ca 0.13 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.05 1mr9 s LYS 60 Cb -0.11 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1mr9 s LYS 60 CO 0.02 0.13 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.26 1mr9 s LEU 61 N -4.06 1.86 -0.09 3.17 2.96 -1.20 -2.18 118.68 119.13 1mr9 s LEU 61 Ca 0.42 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1mr9 s LEU 61 Cb -0.08 -0.91 0.04 0.00 0.50 0.00 0.00 46.19 45.74 1mr9 s LEU 61 CO 0.29 0.12 0.03 -0.54 -1.32 0.00 0.00 176.35 174.93 1mr9 s LYS 62 N 0.17 0.40 0.00 1.98 3.01 -0.43 0.38 119.74 125.25 1mr9 s LYS 62 Ca -0.06 0.07 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 1mr9 s LYS 62 Cb -0.12 -1.13 -0.04 0.00 -1.01 0.00 0.00 37.83 35.53 1mr9 s LYS 62 CO 0.02 -0.40 0.06 0.42 0.51 0.00 0.00 175.35 175.96 1mr9 s ILE 63 N 2.02 4.54 0.00 2.17 1.01 -0.53 0.12 121.20 130.52 1mr9 s ILE 63 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1mr9 s ILE 63 Cb -0.13 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1mr9 s ILE 63 CO -0.06 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1mr9 n GLY 64 N 1.22 0.53 3.91 6.18 0.00 0.11 0.73 105.19 117.87 1mr9 n GLY 64 Ca -0.13 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 1.02 3.51 -1.11 1.61 1.02 -1.26 -2.88 119.74 121.65 1mr9 s LYS 65 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.68 1mr9 s LYS 65 Cb 0.00 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1mr9 s LYS 65 CO 0.00 0.59 0.95 1.19 -0.92 0.00 0.00 175.35 177.16 1mr9 n PHE 66 N 0.50 -2.21 -3.92 3.18 3.72 -0.84 -1.61 117.46 116.27 1mr9 n PHE 66 Ca -0.06 0.85 -0.31 0.00 -0.05 0.00 0.00 57.45 57.87 1mr9 n PHE 66 Cb 0.52 -4.57 -0.04 0.00 -0.94 0.00 0.00 39.48 34.45 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 -2.50 4.62 -0.23 0.00 0.01 -1.05 -1.46 113.70 113.09 1mr9 s SER 68 Ca 0.35 -1.78 -0.07 0.00 1.31 0.00 0.00 55.95 55.76 1mr9 s SER 68 Cb -0.13 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1mr9 s SER 68 CO 0.28 -0.29 0.07 -0.63 0.41 0.00 0.00 173.24 173.08 1mr9 s ILE 69 N 1.00 4.51 0.83 1.44 1.01 -1.19 -1.58 121.20 127.23 1mr9 s ILE 69 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1mr9 s ILE 69 Cb -0.20 -3.09 0.15 0.00 0.01 0.00 0.00 42.46 39.34 1mr9 s ILE 69 CO -0.06 0.37 1.15 -0.83 0.00 0.00 0.00 174.94 175.57 1mr9 s GLY 70 N 1.21 1.75 0.23 6.18 0.00 -0.37 -1.99 107.32 114.34 1mr9 s GLY 70 Ca 0.05 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 1mr9 s GLY 70 CO 0.04 -0.70 1.15 2.56 0.00 0.00 0.00 173.10 176.15 1mr9 s PRO 71 N -5.52 4.55 0.00 2.90 0.04 -1.13 -2.95 135.00 132.90 1mr9 s PRO 71 Ca 0.69 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1mr9 s PRO 71 Cb -0.06 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1mr9 s PRO 71 CO 0.48 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.98 1mr9 n GLY 72 N 1.71 0.59 3.72 0.56 0.00 -1.26 -0.02 105.19 110.49 1mr9 n GLY 72 Ca 0.02 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 4.52 0.09 1.61 1.01 -1.15 -4.04 120.40 120.44 1mr9 s VAL 73 Ca 0.00 1.95 0.06 0.00 0.00 0.00 0.00 61.98 63.99 1mr9 s VAL 73 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1mr9 s VAL 73 CO 0.00 0.23 -0.15 0.42 0.00 0.00 0.00 175.10 175.61 1mr9 s THR 74 N 0.45 1.23 -0.10 3.92 -4.23 -1.11 -4.77 115.64 111.04 1mr9 s THR 74 Ca 0.50 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1mr9 s THR 74 Cb -0.24 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.33 1mr9 s THR 74 CO 0.30 -0.29 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.35 1mr9 s ILE 75 N -1.61 1.12 0.20 2.99 1.01 0.16 -1.35 121.20 123.71 1mr9 s ILE 75 Ca 0.03 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1mr9 s ILE 75 Cb -0.08 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1mr9 s ILE 75 CO 0.03 0.37 -0.01 -0.63 0.00 0.00 0.00 174.94 174.70 1mr9 s ILE 76 N 1.25 3.59 -2.58 2.92 -1.09 -0.35 -0.30 121.20 124.63 1mr9 s ILE 76 Ca -0.03 -1.57 0.26 0.00 -2.23 0.00 0.00 60.65 57.07 1mr9 s ILE 76 Cb -0.14 -2.83 0.44 0.00 -1.58 0.00 0.00 42.46 38.35 1mr9 s ILE 76 CO -0.03 -0.18 1.57 0.59 -1.23 0.00 0.00 174.94 175.66 1mr9 n ASN 78 N -0.30 2.02 0.26 3.58 5.03 -1.26 -0.43 115.26 124.16 1mr9 n ASN 78 Ca -0.09 -1.69 0.11 0.00 0.87 0.00 0.00 54.58 53.78 1mr9 n ASN 78 Cb 0.56 -0.03 0.72 0.00 -1.02 0.00 0.00 39.78 40.00 1mr9 n ASN 78 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1mr9 h GLY 79 N 4.83 0.00 -2.55 7.41 0.00 -1.57 -3.20 103.07 107.98 1mr9 h GLY 79 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1mr9 h GLY 79 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 176.54 176.67 1mr9 n ALA 80 N -2.39 3.53 -3.44 3.60 0.00 -1.26 -4.83 120.51 115.71 1mr9 n ALA 80 Ca -0.03 -1.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 1mr9 n ALA 80 Cb 0.16 -1.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.27 1.76 0.86 0.00 0.01 -1.21 -5.14 114.94 110.96 1mr9 s ASN 81 Ca 0.27 -0.30 -0.12 0.00 -0.71 0.00 0.00 52.86 52.00 1mr9 s ASN 81 Cb 0.22 -0.81 0.11 0.00 0.41 0.00 0.00 41.25 41.17 1mr9 s ASN 81 CO 0.07 0.04 1.16 -1.00 -1.51 0.00 0.00 177.10 175.85 1mr9 s HIS 82 N 0.64 2.73 1.06 2.20 3.76 -1.26 -4.87 115.29 119.55 1mr9 s HIS 82 Ca -0.14 0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 55.44 1mr9 s HIS 82 Cb -0.16 -3.45 0.22 0.00 1.11 0.00 0.00 32.58 30.31 1mr9 s HIS 82 CO 0.04 -2.07 1.08 0.50 -0.85 0.00 0.00 174.74 173.43 1mr9 s ARG 83 N -5.43 -0.10 0.00 1.40 3.52 -1.26 -4.70 118.95 112.37 1mr9 s ARG 83 Ca 0.63 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1mr9 s ARG 83 Cb -0.13 -1.68 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1mr9 s ARG 83 CO 0.51 -3.09 0.00 -0.40 -0.81 0.00 0.00 175.30 171.51 1mr9 n ASP 85 N -4.43 0.00 0.00 -2.12 5.75 -1.26 -3.95 116.55 110.54 1mr9 n ASP 85 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1mr9 n ASP 85 Cb 0.57 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.46 5.12 3.74 6.12 0.00 -1.26 -5.13 105.19 113.31 1mr9 n GLY 86 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 4.64 -0.12 1.61 0.15 -1.26 -4.97 113.70 114.75 1mr9 s SER 87 Ca 0.00 2.33 0.15 0.00 0.70 0.00 0.00 55.95 59.13 1mr9 s SER 87 Cb 0.00 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 1mr9 s SER 87 CO 0.00 -1.96 1.33 0.35 1.20 0.00 0.00 173.24 174.16 1mr9 n THR 88 N -2.29 1.86 -2.34 6.45 -2.24 -1.25 -4.77 114.28 109.69 1mr9 n THR 88 Ca 0.13 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.83 1mr9 n THR 88 Cb 0.50 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.28 3.05 -1.39 4.78 6.14 -1.26 -4.71 117.35 121.68 1mr9 s TYR 89 Ca 0.34 1.03 -0.14 0.00 0.64 0.00 0.00 57.07 58.95 1mr9 s TYR 89 Cb 0.26 -3.54 0.07 0.00 0.42 0.00 0.00 41.96 39.18 1mr9 s TYR 89 CO 0.09 -1.85 2.04 -0.35 0.64 0.00 0.00 175.55 176.13 1mr9 n PRO 90 N 5.16 3.06 -0.31 4.97 -0.04 -1.26 -4.78 135.00 141.80 1mr9 n PRO 90 Ca 0.12 -2.93 0.16 0.00 -0.04 0.00 0.00 63.50 60.81 1mr9 n PRO 90 Cb 0.45 -3.27 0.33 0.00 -0.04 0.00 0.00 33.50 30.97 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 6.33 0.45 -0.57 0.54 -1.00 -1.88 0.19 116.94 121.00 1mr9 h PHE 91 Ca 0.51 0.05 0.05 0.00 2.81 0.00 0.00 57.97 61.39 1mr9 h PHE 91 Cb 0.70 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.15 1mr9 h PHE 91 CO 1.41 -0.22 0.29 -2.95 -1.61 0.00 0.00 178.31 175.23 1mr9 h ASN 92 N 0.21 0.42 -0.38 2.17 -1.07 -1.74 -2.85 115.58 112.33 1mr9 h ASN 92 Ca 0.60 0.03 0.11 0.00 0.07 0.00 0.00 56.30 57.11 1mr9 h ASN 92 Cb 1.26 -0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 37.45 1mr9 h ASN 92 CO -0.67 0.28 0.59 -0.11 0.07 0.00 0.00 177.43 177.59 1mr9 n LEU 93 N -4.86 0.00 -0.04 6.14 -0.00 0.65 -1.34 117.00 117.55 1mr9 n LEU 93 Ca 0.06 0.35 -0.05 0.00 -0.00 0.00 0.00 56.01 56.37 1mr9 n LEU 93 Cb 0.16 -0.10 -0.07 0.00 -0.00 0.00 0.00 43.42 43.42 1mr9 n LEU 93 CO 0.28 -0.35 -0.79 0.49 -0.00 0.00 0.00 177.39 177.02 1mr9 n PHE 94 N -2.07 0.00 -4.48 1.96 3.01 -1.08 -5.10 117.46 109.70 1mr9 n PHE 94 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1mr9 n PHE 94 Cb 0.71 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 2.55 0.46 2.39 1.37 0.00 -0.45 -4.92 105.19 106.59 1mr9 n GLY 95 Ca -0.15 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.47 -4.85 0.00 1.61 3.02 -1.26 -2.33 115.26 110.98 1mr9 n ASN 96 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1mr9 n ASN 96 Cb 0.00 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -1.02 1.43 0.39 7.41 0.00 -1.26 -4.96 105.19 107.18 1mr9 n GLY 97 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 0.01 1.91 1.61 7.02 -0.98 -4.01 117.44 122.91 1mr9 n TRP 98 Ca 0.00 -0.01 0.15 0.00 -1.02 0.00 0.00 57.50 56.62 1mr9 n TRP 98 Cb 0.00 0.00 0.86 0.00 -2.42 0.00 0.00 31.31 29.75 1mr9 n TRP 98 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1mr9 n GLU 99 N -0.04 0.95 0.00 -0.99 0.00 -1.26 -2.86 120.64 116.43 1mr9 n GLU 99 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.49 1mr9 n GLU 99 Cb 0.31 -1.48 0.46 0.00 0.00 0.00 0.00 31.44 30.73 1mr9 n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1mr9 n LYS 100 N -0.98 0.84 -3.96 3.44 5.02 -1.26 -4.96 118.16 116.31 1mr9 n LYS 100 Ca 0.22 -0.44 -0.35 0.00 -2.02 0.00 0.00 58.31 55.72 1mr9 n LYS 100 Cb 0.10 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 1mr9 n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1mr9 s HIS 101 N -2.46 2.95 0.05 2.13 3.76 -1.14 -5.11 115.29 115.47 1mr9 s HIS 101 Ca 0.27 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 1mr9 s HIS 101 Cb 0.20 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1mr9 s HIS 101 CO 0.49 -0.51 -0.09 -1.25 -0.85 0.00 0.00 174.74 172.53 1mr9 s PRO 103 N 1.39 0.58 0.84 8.40 0.04 -1.26 -4.37 135.00 140.63 1mr9 s PRO 103 Ca 0.05 -0.79 -0.10 0.00 0.04 0.00 0.00 61.00 60.20 1mr9 s PRO 103 Cb -0.14 -0.40 0.10 0.00 0.04 0.00 0.00 34.50 34.10 1mr9 s PRO 103 CO -0.03 0.08 1.11 0.15 0.04 0.00 0.00 177.00 178.35 1mr9 s LYS 104 N -1.59 1.66 0.07 4.56 1.02 -1.26 -4.89 119.74 119.31 1mr9 s LYS 104 Ca -0.08 1.29 -0.24 0.00 0.02 0.00 0.00 55.97 56.96 1mr9 s LYS 104 Cb -0.10 -1.82 -0.16 0.00 -0.52 0.00 0.00 37.83 35.23 1mr9 s LYS 104 CO 0.01 -2.10 1.67 -0.07 -0.92 0.00 0.00 175.35 173.94 1mr9 h LEU 105 N -1.47 -0.02 -1.78 3.17 3.38 -1.96 -0.45 115.31 116.18 1mr9 h LEU 105 Ca -0.44 -0.06 0.40 0.00 0.09 0.00 0.00 57.88 57.87 1mr9 h LEU 105 Cb 1.25 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1mr9 h LEU 105 CO 0.48 0.05 0.95 0.44 0.09 0.00 0.00 178.44 180.45 1mr9 h ASP 106 N -0.09 0.12 1.14 -0.43 3.32 -1.97 1.33 116.42 119.84 1mr9 h ASP 106 Ca -0.00 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1mr9 h ASP 106 Cb 0.08 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1mr9 h ASP 106 CO 0.00 -0.02 -0.29 1.56 -1.72 0.00 0.00 179.24 178.77 1mr9 h GLN 107 N 0.08 0.00 -6.40 3.56 4.20 -1.44 -3.43 115.11 111.69 1mr9 h GLN 107 Ca 0.70 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.89 1mr9 h GLN 107 Cb 2.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.31 1mr9 h GLN 107 CO -0.13 0.29 -0.22 -0.51 -0.67 0.00 0.00 178.83 177.59 1mr9 s LEU 108 N -6.67 4.11 0.60 1.46 1.43 0.46 -4.79 118.68 115.27 1mr9 s LEU 108 Ca 0.02 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 1mr9 s LEU 108 Cb 0.09 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1mr9 s LEU 108 CO 0.67 -0.16 1.02 -2.16 0.23 0.00 0.00 176.35 175.96 1mr9 s PRO 109 N -3.58 3.64 -0.17 1.29 0.05 -1.26 -4.91 135.00 130.05 1mr9 s PRO 109 Ca 0.41 0.82 -0.05 0.00 0.05 0.00 0.00 61.00 62.24 1mr9 s PRO 109 Cb -0.11 -2.09 0.07 0.00 0.05 0.00 0.00 34.50 32.43 1mr9 s PRO 109 CO 0.30 -0.53 0.13 0.96 0.05 0.00 0.00 177.00 177.91 1mr9 s ILE 110 N -3.02 -0.16 -1.74 0.56 -4.36 -1.26 -4.99 121.20 106.23 1mr9 s ILE 110 Ca 0.56 -0.13 0.31 0.00 -0.26 0.00 0.00 60.65 61.14 1mr9 s ILE 110 Cb -0.11 -0.59 0.69 0.00 1.25 0.00 0.00 42.46 43.71 1mr9 s ILE 110 CO 0.48 -0.24 2.11 0.29 0.24 0.00 0.00 174.94 177.82 1mr9 n LYS 111 N 5.29 0.75 0.00 0.37 5.02 -1.26 -4.99 118.16 123.34 1mr9 n LYS 111 Ca -0.06 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1mr9 n LYS 111 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.15 0.15 3.70 0.72 0.00 -1.26 -4.56 105.19 105.09 1mr9 n GLY 112 Ca 0.19 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.00 5.15 -0.01 1.61 1.01 -1.26 -4.49 116.67 114.68 1mr9 s ASP 113 Ca 0.00 -0.08 -0.27 0.00 0.71 0.00 0.00 52.55 52.91 1mr9 s ASP 113 Cb 0.00 -1.30 -0.04 0.00 1.01 0.00 0.00 42.92 42.59 1mr9 s ASP 113 CO 0.00 0.22 0.87 -0.89 0.21 0.00 0.00 175.17 175.58 1mr9 s THR 114 N -1.23 4.90 -0.06 -1.27 2.01 -0.93 -4.09 115.64 114.96 1mr9 s THR 114 Ca 0.24 1.82 0.02 0.00 0.31 0.00 0.00 61.69 64.08 1mr9 s THR 114 Cb -0.12 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1mr9 s THR 114 CO 0.16 0.21 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.57 1mr9 s ILE 115 N 0.81 0.98 -0.10 1.82 1.01 -0.66 -1.31 121.20 123.74 1mr9 s ILE 115 Ca 0.46 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1mr9 s ILE 115 Cb -0.20 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1mr9 s ILE 115 CO 0.24 0.32 -0.18 -0.63 0.00 0.00 0.00 174.94 174.70 1mr9 s ILE 116 N 0.76 2.66 0.00 2.92 1.01 0.33 -1.34 121.20 127.54 1mr9 s ILE 116 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1mr9 s ILE 116 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1mr9 s ILE 116 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1mr9 n GLY 117 N 3.28 -1.41 3.52 6.18 0.00 0.26 -0.71 105.19 116.30 1mr9 n GLY 117 Ca -0.18 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.54 4.09 0.00 1.61 -0.87 -1.26 -0.76 114.94 116.21 1mr9 s ASN 118 Ca 0.00 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.87 1mr9 s ASN 118 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 41.25 40.52 1mr9 s ASN 118 CO 0.00 0.22 0.00 -0.67 -2.57 0.00 0.00 177.10 174.08 1mr9 n ASP 119 N 1.10 -3.61 -4.78 -1.22 2.03 -0.64 -1.23 116.55 108.22 1mr9 n ASP 119 Ca -0.15 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.77 1mr9 n ASP 119 Cb 0.52 -1.50 -0.06 0.00 -0.72 0.00 0.00 41.12 39.36 1mr9 n ASP 119 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1mr9 s VAL 120 N -1.79 4.36 -0.15 5.18 0.11 -1.26 -4.05 120.40 122.81 1mr9 s VAL 120 Ca 0.00 1.70 0.02 0.00 -2.93 0.00 0.00 61.98 60.76 1mr9 s VAL 120 Cb 0.00 -4.13 0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1mr9 s VAL 120 CO 0.00 0.49 -0.20 0.86 -3.33 0.00 0.00 175.10 172.93 1mr9 s TRP 121 N -1.19 2.55 -0.04 1.54 -0.00 -0.54 -2.54 118.94 118.72 1mr9 s TRP 121 Ca 0.37 -1.36 0.05 0.00 -0.00 0.00 0.00 56.10 55.16 1mr9 s TRP 121 Cb -0.23 -1.77 -0.01 0.00 -0.00 0.00 0.00 33.47 31.47 1mr9 s TRP 121 CO 0.26 -0.66 -0.20 0.42 -0.00 0.00 0.00 176.95 176.78 1mr9 s ILE 122 N 1.05 1.61 0.59 5.86 1.01 -0.61 -1.31 121.20 129.40 1mr9 s ILE 122 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1mr9 s ILE 122 Cb -0.14 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1mr9 s ILE 122 CO -0.06 0.46 0.81 -0.83 0.00 0.00 0.00 174.94 175.32 1mr9 s GLY 123 N -0.12 1.81 -0.01 6.18 0.00 -1.00 -1.23 107.32 112.94 1mr9 s GLY 123 Ca -0.01 -1.65 -0.39 0.00 0.00 0.00 0.00 44.72 42.67 1mr9 s GLY 123 CO 0.02 -1.27 1.30 1.17 0.00 0.00 0.00 173.10 174.32 1mr9 n LYS 124 N -2.40 0.67 -3.71 2.90 4.81 -1.26 -2.47 118.16 116.71 1mr9 n LYS 124 Ca 0.12 0.24 -0.27 0.00 -0.87 0.00 0.00 58.31 57.53 1mr9 n LYS 124 Cb 0.60 -1.83 0.05 0.00 0.02 0.00 0.00 35.03 33.87 1mr9 n LYS 124 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1mr9 n ASP 125 N 2.51 -5.66 -4.79 3.14 10.43 0.97 -1.26 116.55 121.88 1mr9 n ASP 125 Ca 0.20 -0.63 -0.30 0.00 2.57 0.00 0.00 54.79 56.63 1mr9 n ASP 125 Cb 0.13 -4.48 0.09 0.00 1.84 0.00 0.00 41.12 38.70 1mr9 n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1mr9 s VAL 126 N -3.30 3.09 -0.12 2.53 1.01 -1.03 -3.62 120.40 118.97 1mr9 s VAL 126 Ca 0.61 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 1mr9 s VAL 126 Cb -0.29 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1mr9 s VAL 126 CO 0.75 -0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.72 1mr9 s VAL 127 N -3.12 0.42 0.52 2.92 1.01 -0.34 -2.75 120.40 119.06 1mr9 s VAL 127 Ca 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1mr9 s VAL 127 Cb -0.15 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.63 1mr9 s VAL 127 CO 0.55 0.09 0.71 -0.38 0.00 0.00 0.00 175.10 176.07 1mr9 n ILE 128 N 5.12 0.00 -2.63 2.22 2.08 -0.46 -1.04 119.36 124.65 1mr9 n ILE 128 Ca -0.08 -1.08 -0.43 0.00 0.56 0.00 0.00 62.75 61.73 1mr9 n ILE 128 Cb 0.49 -1.07 -0.02 0.00 -0.75 0.00 0.00 39.64 38.29 1mr9 n ILE 128 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1mr9 s PRO 130 N -4.33 4.29 -0.85 0.38 0.02 0.42 -1.21 135.00 133.73 1mr9 s PRO 130 Ca 0.47 1.41 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 1mr9 s PRO 130 Cb -0.03 -3.63 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 1mr9 s PRO 130 CO 0.31 -0.57 0.75 0.41 -0.33 0.00 0.00 177.00 177.57 1mr9 n GLY 131 N 3.31 -0.93 3.66 0.52 0.00 -1.26 -4.77 105.19 105.71 1mr9 n GLY 131 Ca 0.12 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.26 3.91 0.30 1.61 -7.23 -1.26 -4.77 120.40 109.70 1mr9 s VAL 132 Ca 0.31 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1mr9 s VAL 132 Cb -0.04 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1mr9 s VAL 132 CO 0.64 0.22 0.53 -0.54 -0.31 0.00 0.00 175.10 175.63 1mr9 s LYS 133 N -1.99 3.55 -0.15 4.82 -0.14 -1.26 -1.66 119.74 122.91 1mr9 s LYS 133 Ca 0.22 -0.20 -0.04 0.00 -1.36 0.00 0.00 55.97 54.59 1mr9 s LYS 133 Cb -0.11 -2.68 0.07 0.00 -1.68 0.00 0.00 37.83 33.43 1mr9 s LYS 133 CO 0.14 0.21 0.25 0.42 -0.76 0.00 0.00 175.35 175.61 1mr9 s ILE 134 N -2.16 -0.39 1.34 2.17 1.01 -0.45 -1.28 121.20 121.44 1mr9 s ILE 134 Ca 0.41 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.04 1mr9 s ILE 134 Cb -0.10 -0.50 0.34 0.00 0.01 0.00 0.00 42.46 42.20 1mr9 s ILE 134 CO 0.33 0.03 0.97 -0.83 0.00 0.00 0.00 174.94 175.44 1mr9 s GLY 135 N 2.39 1.46 0.21 6.18 0.00 -0.24 -0.57 107.32 116.76 1mr9 s GLY 135 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 1mr9 s GLY 135 CO -0.09 0.27 1.07 0.99 0.00 0.00 0.00 173.10 175.34 1mr9 s ASP 136 N -3.04 7.34 -0.08 1.64 -0.00 -1.26 -3.72 116.67 117.53 1mr9 s ASP 136 Ca 0.69 2.11 0.00 0.00 -0.00 0.00 0.00 52.55 55.35 1mr9 s ASP 136 Cb -0.16 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 1mr9 s ASP 136 CO 0.60 -0.13 0.00 0.61 -0.00 0.00 0.00 175.17 176.24 1mr9 n GLY 137 N 1.71 0.48 3.91 0.21 0.00 -0.36 0.04 105.19 111.19 1mr9 n GLY 137 Ca 0.01 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 3.26 -0.07 4.61 0.00 -1.24 -3.54 121.76 122.77 1mr9 s ALA 138 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1mr9 s ALA 138 Cb 0.00 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1mr9 s ALA 138 CO 0.00 -0.81 0.03 0.42 0.00 0.00 0.00 175.76 175.40 1mr9 s ILE 139 N -3.02 0.15 -0.18 0.00 1.01 -1.26 -1.47 121.20 116.43 1mr9 s ILE 139 Ca 0.54 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 1mr9 s ILE 139 Cb -0.11 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1mr9 s ILE 139 CO 0.46 0.15 0.06 0.54 0.00 0.00 0.00 174.94 176.15 1mr9 s VAL 140 N 2.06 4.74 0.57 2.92 0.11 -0.43 -0.12 120.40 130.26 1mr9 s VAL 140 Ca 0.04 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1mr9 s VAL 140 Cb -0.13 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 1mr9 s VAL 140 CO -0.05 0.47 1.03 0.00 -3.33 0.00 0.00 175.10 173.22 1mr9 s ALA 141 N 0.35 2.88 0.23 1.54 0.00 0.06 -2.38 121.76 124.44 1mr9 s ALA 141 Ca 0.03 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1mr9 s ALA 141 Cb -0.12 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 1mr9 s ALA 141 CO 0.00 -0.61 1.05 0.00 0.00 0.00 0.00 175.76 176.19 1mr9 n ALA 142 N -1.99 -0.66 -2.48 0.00 0.00 -1.26 -2.00 120.51 112.13 1mr9 n ALA 142 Ca 0.08 0.43 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1mr9 n ALA 142 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.64 -5.38 -4.85 0.00 3.02 -0.39 -4.86 115.26 104.44 1mr9 n ASN 143 Ca 0.13 -0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 1mr9 n ASN 143 Cb 0.28 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.00 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 -2.31 6.76 -0.31 6.41 0.01 -0.85 -4.67 113.70 118.74 1mr9 s SER 144 Ca 0.06 1.17 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 1mr9 s SER 144 Cb -0.03 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.94 1mr9 s SER 144 CO 0.08 -0.12 0.02 -0.69 0.41 0.00 0.00 173.24 172.94 1mr9 s VAL 145 N -1.85 2.88 -0.25 3.43 1.01 0.41 -1.20 120.40 124.83 1mr9 s VAL 145 Ca 0.50 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1mr9 s VAL 145 Cb -0.11 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1mr9 s VAL 145 CO 0.19 -0.21 0.43 -0.69 0.00 0.00 0.00 175.10 174.82 1mr9 s VAL 146 N 1.19 5.14 -0.09 2.92 1.01 -0.20 -1.00 120.40 129.37 1mr9 s VAL 146 Ca -0.03 0.72 0.13 0.00 0.00 0.00 0.00 61.98 62.80 1mr9 s VAL 146 Cb -0.20 -3.75 0.26 0.00 0.00 0.00 0.00 36.38 32.68 1mr9 s VAL 146 CO -0.02 0.15 1.13 1.33 0.00 0.00 0.00 175.10 177.68 1mr9 n VAL 147 N 4.96 1.21 -3.63 2.92 0.24 -1.26 -4.56 118.33 118.21 1mr9 n VAL 147 Ca -0.07 -1.70 -0.11 0.00 -2.04 0.00 0.00 64.34 60.42 1mr9 n VAL 147 Cb 0.50 0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.92 1mr9 n VAL 147 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1mr9 s LYS 148 N -1.81 0.63 0.27 7.34 2.20 -1.26 -5.00 119.74 122.10 1mr9 s LYS 148 Ca 0.25 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 56.29 1mr9 s LYS 148 Cb 0.24 0.31 -0.15 0.00 -1.51 0.00 0.00 37.83 36.72 1mr9 s LYS 148 CO -0.02 -0.08 0.90 -0.25 -0.36 0.00 0.00 175.35 175.53 1mr9 n ASP 149 N 2.29 0.70 -4.36 1.43 9.92 -1.26 -4.64 116.55 120.63 1mr9 n ASP 149 Ca -0.13 1.17 -0.30 0.00 -0.53 0.00 0.00 54.79 55.00 1mr9 n ASP 149 Cb 0.56 -1.21 -0.14 0.00 -0.64 0.00 0.00 41.12 39.68 1mr9 n ASP 149 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mr9 s ILE 150 N -1.03 2.22 0.35 0.53 1.01 -0.40 -4.93 121.20 118.94 1mr9 s ILE 150 Ca 0.60 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1mr9 s ILE 150 Cb -0.76 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1mr9 s ILE 150 CO 0.59 0.35 0.57 0.00 0.00 0.00 0.00 174.94 176.45 1mr9 s ALA 151 N -0.83 3.66 0.31 9.38 0.00 -1.26 -1.07 121.76 131.94 1mr9 s ALA 151 Ca 0.12 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 1mr9 s ALA 151 Cb -0.10 -2.19 -0.14 0.00 0.00 0.00 0.00 23.12 20.69 1mr9 s ALA 151 CO 0.03 -0.00 1.01 -2.30 0.00 0.00 0.00 175.76 174.49 1mr9 n PRO 152 N -1.67 1.37 -2.87 0.00 -0.02 -1.26 -4.13 135.00 126.43 1mr9 n PRO 152 Ca -0.04 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1mr9 n PRO 152 Cb 0.56 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.14 -2.09 -5.07 6.00 4.02 0.11 -4.85 117.16 115.42 1mr9 n TYR 153 Ca 0.09 1.21 -0.29 0.00 -0.01 0.00 0.00 57.90 58.90 1mr9 n TYR 153 Cb 0.33 -2.36 -0.16 0.00 -0.02 0.00 0.00 39.34 37.12 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 -0.35 1.99 0.11 7.72 2.96 0.18 -0.47 118.68 130.83 1mr9 s LEU 155 Ca -0.13 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1mr9 s LEU 155 Cb 0.01 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 1mr9 s LEU 155 CO 0.37 0.19 0.09 0.00 -1.32 0.00 0.00 176.35 175.68 1mr9 s ALA 156 N 0.00 0.44 0.00 5.97 0.00 0.83 0.50 121.76 129.50 1mr9 s ALA 156 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1mr9 s ALA 156 Cb -0.13 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1mr9 s ALA 156 CO 0.04 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1mr9 n GLY 157 N -0.05 0.42 0.00 0.00 0.00 -0.89 -0.76 105.19 103.92 1mr9 n GLY 157 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1mr9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr9 n GLY 158 N -0.01 0.89 2.54 -0.02 0.00 -1.26 -1.99 105.19 105.34 1mr9 n GLY 158 Ca 0.00 -2.24 -0.21 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.17 0.89 0.30 1.61 3.84 -1.26 0.15 114.94 120.30 1mr9 s ASN 159 Ca 0.00 -2.46 -0.24 0.00 0.21 0.00 0.00 52.86 50.37 1mr9 s ASN 159 Cb 0.00 0.24 -0.09 0.00 -0.55 0.00 0.00 41.25 40.84 1mr9 s ASN 159 CO 0.00 -0.17 0.89 -2.16 -2.79 0.00 0.00 177.10 172.86 1mr9 s PRO 160 N 0.56 4.49 0.55 0.43 0.04 -1.26 -4.93 135.00 134.88 1mr9 s PRO 160 Ca 0.28 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1mr9 s PRO 160 Cb -0.03 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1mr9 s PRO 160 CO -0.12 0.31 1.28 0.00 0.04 0.00 0.00 177.00 178.50 1mr9 s ALA 161 N -1.60 2.75 0.36 8.56 0.00 -0.17 -4.92 121.76 126.74 1mr9 s ALA 161 Ca 0.48 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1mr9 s ALA 161 Cb -0.18 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1mr9 s ALA 161 CO 0.23 -1.19 0.16 -0.80 0.00 0.00 0.00 175.76 174.16 1mr9 s ASN 162 N -1.23 2.19 -0.08 0.00 -0.87 -0.84 -4.80 114.94 109.30 1mr9 s ASN 162 Ca 0.72 -1.64 -0.30 0.00 -1.57 0.00 0.00 52.86 50.08 1mr9 s ASN 162 Cb -0.35 0.45 -0.02 0.00 -0.02 0.00 0.00 41.25 41.31 1mr9 s ASN 162 CO 0.41 -0.93 1.12 -1.61 -2.57 0.00 0.00 177.10 173.52 1mr9 s GLU 163 N -3.71 4.37 -0.17 -0.60 2.02 -1.26 -2.09 118.70 117.27 1mr9 s GLU 163 Ca 0.31 1.55 -0.14 0.00 0.02 0.00 0.00 54.97 56.71 1mr9 s GLU 163 Cb 0.04 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.63 1mr9 s GLU 163 CO 0.18 -0.41 -0.16 -0.89 0.02 0.00 0.00 175.26 174.00 1mr9 n ILE 164 N 4.63 1.46 -3.43 -1.63 5.41 0.18 -4.96 119.36 121.03 1mr9 n ILE 164 Ca 0.10 0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.85 1mr9 n ILE 164 Cb 0.47 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.10 1mr9 n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1mr9 s LYS 165 N -2.42 1.25 0.18 0.38 -2.85 -1.11 -5.01 119.74 110.17 1mr9 s LYS 165 Ca -0.22 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 1mr9 s LYS 165 Cb 0.04 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 36.30 1mr9 s LYS 165 CO 0.35 -0.55 1.22 -0.65 0.10 0.00 0.00 175.35 175.82 1mr9 s GLN 166 N -3.70 4.46 0.10 1.78 -0.21 -1.26 0.52 119.66 121.35 1mr9 s GLN 166 Ca 0.01 1.91 -0.31 0.00 0.02 0.00 0.00 55.36 56.99 1mr9 s GLN 166 Cb -0.01 -3.24 -0.12 0.00 1.00 0.00 0.00 33.01 30.64 1mr9 s GLN 166 CO -0.12 -0.13 1.60 0.00 -2.12 0.00 0.00 175.29 174.51 1mr9 h ARG 167 N 5.37 -0.71 0.00 2.91 3.08 -1.12 -3.45 114.38 120.46 1mr9 h ARG 167 Ca -0.44 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1mr9 h ARG 167 Cb 1.21 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1mr9 h ARG 167 CO 0.76 -0.47 0.00 1.19 -1.07 0.00 0.00 179.97 180.37 1mr9 n PHE 168 N -5.48 0.00 -3.86 3.04 3.72 -1.26 -5.05 117.46 108.58 1mr9 n PHE 168 Ca -0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.98 1mr9 n PHE 168 Cb 0.38 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1mr9 n PHE 168 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1mr9 s ASP 169 N 0.64 6.40 0.37 4.37 1.47 -1.26 -4.93 116.67 123.73 1mr9 s ASP 169 Ca 0.00 0.39 0.06 0.00 1.18 0.00 0.00 52.55 54.18 1mr9 s ASP 169 Cb 0.00 -2.02 0.76 0.00 -0.34 0.00 0.00 42.92 41.32 1mr9 s ASP 169 CO 0.00 0.22 1.97 1.56 0.68 0.00 0.00 175.17 179.60 1mr9 h GLN 170 N 3.58 0.71 0.04 2.11 1.08 -1.98 -0.20 115.11 120.45 1mr9 h GLN 170 Ca -0.48 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1mr9 h GLN 170 Cb 1.18 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1mr9 h GLN 170 CO 0.70 0.47 -0.08 0.22 -0.95 0.00 0.00 178.83 179.20 1mr9 h ASP 171 N 0.73 -0.22 -0.36 1.46 1.82 -1.98 0.80 116.42 118.68 1mr9 h ASP 171 Ca 0.30 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1mr9 h ASP 171 Cb 0.23 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 1mr9 h ASP 171 CO -0.09 -0.09 -0.21 0.41 -1.61 0.00 0.00 179.24 177.65 1mr9 n THR 172 N -2.82 -0.25 -0.28 2.25 -1.04 -0.29 -0.31 114.28 111.55 1mr9 n THR 172 Ca -0.01 1.50 -0.05 0.00 -2.04 0.00 0.00 64.05 63.44 1mr9 n THR 172 Cb 0.06 -1.91 -0.00 0.00 -1.82 0.00 0.00 70.33 66.66 1mr9 n THR 172 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1mr9 h ILE 173 N 0.00 0.08 0.00 12.58 2.04 -0.82 0.48 117.51 131.87 1mr9 h ILE 173 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1mr9 h ILE 173 Cb 0.15 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1mr9 h ILE 173 CO -0.34 0.00 -0.02 0.78 0.00 0.00 0.00 178.15 178.57 1mr9 h ASN 174 N -0.12 0.00 0.00 1.72 2.35 0.37 -2.22 115.58 117.68 1mr9 h ASN 174 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1mr9 h ASN 174 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1mr9 h ASN 174 CO -0.80 0.02 -0.13 -0.61 -1.65 0.00 0.00 177.43 174.25 1mr9 h GLN 175 N 0.00 0.00 -1.34 0.81 4.15 0.18 -3.17 115.11 115.74 1mr9 h GLN 175 Ca -0.00 0.00 0.39 0.00 0.77 0.00 0.00 58.65 59.81 1mr9 h GLN 175 Cb 0.07 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 1mr9 h GLN 175 CO 0.00 0.16 0.94 -0.07 -1.93 0.00 0.00 178.83 177.93 1mr9 h LEU 176 N -1.00 0.11 -0.19 -2.39 3.38 -0.90 0.56 115.31 114.89 1mr9 h LEU 176 Ca -0.01 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1mr9 h LEU 176 Cb 0.26 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1mr9 h LEU 176 CO -0.01 -0.01 -0.77 -0.07 0.09 0.00 0.00 178.44 177.67 1mr9 h LEU 177 N 0.08 0.91 -0.21 1.67 3.38 -1.52 -0.47 115.31 119.15 1mr9 h LEU 177 Ca 0.68 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1mr9 h LEU 177 Cb 2.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 1mr9 h LEU 177 CO -0.12 1.39 0.13 0.44 0.09 0.00 0.00 178.44 180.36 1mr9 h ASP 178 N 0.53 0.25 0.74 -0.43 3.32 0.07 -3.33 116.42 117.57 1mr9 h ASP 178 Ca -0.05 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.72 1mr9 h ASP 178 Cb 1.39 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1mr9 h ASP 178 CO 0.16 0.23 -1.08 -0.29 -1.72 0.00 0.00 179.24 176.53 1mr9 h ILE 179 N 0.26 1.57 -6.24 0.35 2.10 -0.97 -3.48 117.51 111.09 1mr9 h ILE 179 Ca 0.08 -3.08 -0.39 0.00 1.08 0.00 0.00 64.86 62.54 1mr9 h ILE 179 Cb 0.02 2.81 0.06 0.00 -1.09 0.00 0.00 36.82 38.62 1mr9 h ILE 179 CO -0.01 0.89 -0.85 0.29 -1.08 0.00 0.00 178.15 177.39 1mr9 n LYS 180 N -3.50 -1.22 0.27 2.19 5.02 -0.19 -4.81 118.16 115.91 1mr9 n LYS 180 Ca -0.05 0.62 0.11 0.00 -2.02 0.00 0.00 58.31 56.98 1mr9 n LYS 180 Cb 0.95 -3.94 0.73 0.00 -0.02 0.00 0.00 35.03 32.75 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 -1.37 0.00 0.00 2.13 5.08 -1.93 -1.71 115.95 118.15 1mr9 h TRP 181 Ca -0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.39 1mr9 h TRP 181 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1mr9 h TRP 181 CO 0.30 0.08 0.00 -2.67 -1.28 0.00 0.00 178.44 174.87 1mr9 n TRP 182 N -3.98 0.00 -0.02 0.12 2.14 -1.26 -1.73 117.44 112.71 1mr9 n TRP 182 Ca -0.03 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.59 1mr9 n TRP 182 Cb 0.17 -0.32 -0.11 0.00 -0.81 0.00 0.00 31.31 30.24 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 -1.32 1.72 -4.45 -0.67 3.02 -0.64 -4.94 115.26 107.97 1mr9 n ASN 183 Ca 0.03 0.00 -0.50 0.00 -0.03 0.00 0.00 54.58 54.09 1mr9 n ASN 183 Cb 0.07 1.47 -0.04 0.00 -0.61 0.00 0.00 39.78 40.66 1mr9 n ASN 183 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1mr9 n TRP 184 N -2.11 0.03 -1.55 3.10 8.01 -0.71 -4.89 117.44 119.32 1mr9 n TRP 184 Ca -0.07 0.94 -0.38 0.00 -1.31 0.00 0.00 57.50 56.67 1mr9 n TRP 184 Cb 0.50 -2.04 0.04 0.00 -2.01 0.00 0.00 31.31 27.81 1mr9 n TRP 184 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1mr9 n PRO 185 N 1.12 0.78 0.13 -0.99 -0.02 -1.26 -4.71 135.00 130.04 1mr9 n PRO 185 Ca 0.17 0.30 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1mr9 n PRO 185 Cb 0.23 -1.94 0.59 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.51 0.96 -0.24 4.25 6.09 -1.97 -0.62 117.51 126.50 1mr9 h ILE 186 Ca -0.47 -0.05 0.05 0.00 -1.37 0.00 0.00 64.86 63.02 1mr9 h ILE 186 Cb 1.38 0.80 -0.05 0.00 0.47 0.00 0.00 36.82 39.42 1mr9 h ILE 186 CO 0.50 0.03 -0.08 0.44 -3.07 0.00 0.00 178.15 175.97 1mr9 h ASP 187 N 0.15 -0.27 0.19 2.19 3.45 -1.99 0.82 116.42 120.95 1mr9 h ASP 187 Ca 0.10 0.08 -0.13 0.00 0.43 0.00 0.00 57.03 57.51 1mr9 h ASP 187 Cb 0.23 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1mr9 h ASP 187 CO -0.02 -0.10 -0.47 0.40 -1.57 0.00 0.00 179.24 177.49 1mr9 h ILE 188 N -0.03 1.33 -0.28 0.35 5.03 -1.47 -2.55 117.51 119.89 1mr9 h ILE 188 Ca 0.12 -1.67 -0.00 0.00 -0.12 0.00 0.00 64.86 63.19 1mr9 h ILE 188 Cb 0.20 1.74 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 1mr9 h ILE 188 CO -0.26 0.50 0.16 0.40 -0.68 0.00 0.00 178.15 178.27 1mr9 h ILE 189 N 0.27 1.12 -0.19 -0.67 2.04 -1.06 -2.55 117.51 116.47 1mr9 h ILE 189 Ca 0.02 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1mr9 h ILE 189 Cb 0.93 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1mr9 h ILE 189 CO 0.08 0.12 0.12 0.78 0.00 0.00 0.00 178.15 179.25 1mr9 h ASN 190 N 0.34 0.17 0.15 1.72 2.35 -0.49 -2.38 115.58 117.45 1mr9 h ASN 190 Ca 0.10 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1mr9 h ASN 190 Cb 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1mr9 h ASN 190 CO -0.02 0.12 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.12 1mr9 h GLU 191 N 0.20 0.35 -0.48 0.81 5.08 -1.06 -3.33 114.58 116.15 1mr9 h GLU 191 Ca 0.07 -0.18 -0.35 0.00 -1.00 0.00 0.00 59.36 57.90 1mr9 h GLU 191 Cb 0.05 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.00 1mr9 h GLU 191 CO -0.01 0.72 -0.77 0.09 -1.00 0.00 0.00 179.01 178.03 1mr9 n ASN 192 N -4.01 3.54 0.02 1.42 3.02 -0.91 -4.85 115.26 113.49 1mr9 n ASN 192 Ca -0.02 -3.54 -0.12 0.00 -0.03 0.00 0.00 54.58 50.87 1mr9 n ASN 192 Cb 0.51 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 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 2.43 1.14 0.00 2.41 2.04 -1.64 0.05 117.51 123.94 1mr9 h ILE 193 Ca 0.19 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1mr9 h ILE 193 Cb 1.38 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1mr9 h ILE 193 CO 0.47 0.11 -0.03 0.44 0.00 0.00 0.00 178.15 179.14 1mr9 h ASP 194 N -0.19 0.00 0.14 1.72 3.32 -1.91 0.74 116.42 120.24 1mr9 h ASP 194 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mr9 h ASP 194 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1mr9 h ASP 194 CO 0.00 0.03 -0.08 0.29 -1.72 0.00 0.00 179.24 177.76 1mr9 n LYS 195 N -3.35 1.14 -0.01 3.56 4.76 -0.55 -3.00 118.16 120.72 1mr9 n LYS 195 Ca -0.02 -0.54 0.07 0.00 -2.87 0.00 0.00 58.31 54.95 1mr9 n LYS 195 Cb 0.15 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.73 1mr9 n LYS 195 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1mr9 n ILE 196 N -0.46 0.07 1.23 -0.18 5.41 0.23 -2.13 119.36 123.53 1mr9 n ILE 196 Ca 0.17 -0.40 0.12 0.00 1.00 0.00 0.00 62.75 63.64 1mr9 n ILE 196 Cb 0.30 0.07 0.39 0.00 -0.71 0.00 0.00 39.64 39.70 1mr9 n ILE 196 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1mr9 n LEU 197 N -2.11 1.86 0.00 1.39 4.77 0.43 -4.23 117.00 119.10 1mr9 n LEU 197 Ca -0.04 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1mr9 n LEU 197 Cb 0.47 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1mr9 n LEU 197 CO 0.35 0.36 0.11 -0.90 -1.33 0.00 0.00 177.39 175.98 1mr9 n ASP 198 N 0.44 0.00 -1.39 -1.43 5.68 -1.16 -5.06 116.55 113.64 1mr9 n ASP 198 Ca 0.17 -1.00 -0.08 0.00 -0.50 0.00 0.00 54.79 53.38 1mr9 n ASP 198 Cb 0.38 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.00 -3.34 -0.00 -1.12 4.05 -1.21 -4.91 115.26 108.73 1mr9 n ASN 199 Ca 0.00 -0.14 0.07 0.00 0.45 0.00 0.00 54.58 54.96 1mr9 n ASN 199 Cb 0.39 -2.11 -0.10 0.00 1.23 0.00 0.00 39.78 39.19 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 0.08 1.32 -0.29 1.20 3.41 -1.09 -4.41 113.62 113.84 1mr9 n SER 200 Ca -0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1mr9 n SER 200 Cb 0.53 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 1mr9 n SER 200 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1mr9 n ILE 201 N -1.79 0.00 0.30 -1.33 -5.35 -0.90 -5.08 119.36 105.21 1mr9 n ILE 201 Ca -0.01 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.51 1mr9 n ILE 201 Cb 0.33 -0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.05 1mr9 n ILE 201 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09