#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 2.56 -0.22 1.61 0.04 -1.26 -5.02 135.00 132.72 1mr9 s PRO 3 Ca 0.00 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 1mr9 s PRO 3 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1mr9 s PRO 3 CO 0.00 -1.29 0.77 1.21 0.04 0.00 0.00 177.00 177.72 1mr9 s ASN 4 N -3.99 6.81 0.00 6.66 3.84 -1.26 -5.06 114.94 121.93 1mr9 s ASN 4 Ca 0.59 1.00 0.00 0.00 0.21 0.00 0.00 52.86 54.66 1mr9 s ASN 4 Cb -0.13 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1mr9 s ASN 4 CO 0.54 -0.42 0.00 -2.65 -2.79 0.00 0.00 177.10 171.78 1mr9 n PRO 5 N 5.58 0.00 -0.10 0.43 -0.02 -1.26 -4.94 135.00 134.69 1mr9 n PRO 5 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1mr9 n PRO 5 Cb 0.48 -1.03 -0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1mr9 n PRO 5 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1mr9 n LYS 7 N 1.54 -0.21 -0.90 -0.52 4.81 -1.26 -4.69 118.16 116.93 1mr9 n LYS 7 Ca 0.00 0.14 -0.20 0.00 -0.87 0.00 0.00 58.31 57.38 1mr9 n LYS 7 Cb 0.00 -0.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.69 1mr9 n LYS 7 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mr9 n TYR 9 N -0.85 0.19 0.10 5.64 4.02 -1.26 -4.31 117.16 120.69 1mr9 n TYR 9 Ca 0.00 0.13 -0.22 0.00 -0.01 0.00 0.00 57.90 57.80 1mr9 n TYR 9 Cb 0.05 -0.95 -0.14 0.00 -0.02 0.00 0.00 39.34 38.28 1mr9 n TYR 9 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mr9 h PRO 10 N 6.95 0.50 -6.71 -0.72 0.13 -1.87 -3.45 132.00 126.83 1mr9 h PRO 10 Ca -0.01 -0.76 -0.52 0.00 -0.87 0.00 0.00 66.00 63.84 1mr9 h PRO 10 Cb 0.74 0.27 0.02 0.00 0.13 0.00 0.00 31.00 32.16 1mr9 h PRO 10 CO 0.90 1.35 0.55 0.42 -0.23 0.00 0.00 178.00 180.99 1mr9 s ILE 11 N -2.71 3.46 0.40 -3.56 1.01 -1.26 -4.96 121.20 113.57 1mr9 s ILE 11 Ca -0.11 1.29 -0.24 0.00 0.00 0.00 0.00 60.65 61.59 1mr9 s ILE 11 Cb 0.04 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1mr9 s ILE 11 CO 0.91 0.23 1.08 -1.83 0.00 0.00 0.00 174.94 175.33 1mr9 s GLU 12 N -0.61 4.12 -1.35 2.79 4.04 -1.26 -2.86 118.70 123.56 1mr9 s GLU 12 Ca 0.51 1.60 -0.20 0.00 0.04 0.00 0.00 54.97 56.92 1mr9 s GLU 12 Cb -0.33 -2.57 0.03 0.00 0.02 0.00 0.00 34.13 31.28 1mr9 s GLU 12 CO 0.39 -0.20 0.40 0.41 -1.84 0.00 0.00 175.26 174.42 1mr9 n GLY 13 N 0.43 -0.53 3.44 -3.83 0.00 -1.26 -4.97 105.19 98.45 1mr9 n GLY 13 Ca 0.05 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.89 -0.55 -0.03 1.61 2.47 -1.14 -5.06 114.94 108.35 1mr9 s ASN 14 Ca 0.29 1.05 0.04 0.00 0.42 0.00 0.00 52.86 54.66 1mr9 s ASN 14 Cb -0.16 1.06 0.07 0.00 -1.45 0.00 0.00 41.25 40.77 1mr9 s ASN 14 CO 0.98 -0.21 0.98 0.29 -3.72 0.00 0.00 177.10 175.42 1mr9 n LYS 15 N 2.69 2.15 -0.08 0.43 5.02 -1.26 -4.73 118.16 122.38 1mr9 n LYS 15 Ca -0.14 -1.61 -0.09 0.00 -2.02 0.00 0.00 58.31 54.45 1mr9 n LYS 15 Cb 0.56 -1.04 -0.09 0.00 -0.02 0.00 0.00 35.03 34.44 1mr9 n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mr9 n SER 16 N -0.63 2.15 -4.76 4.39 2.88 -1.26 -4.90 113.62 111.48 1mr9 n SER 16 Ca 0.04 -0.05 -0.39 0.00 -1.33 0.00 0.00 58.87 57.14 1mr9 n SER 16 Cb 0.38 0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 64.08 1mr9 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mr9 s VAL 17 N -2.34 4.64 -0.02 2.46 1.01 -1.26 -1.80 120.40 123.09 1mr9 s VAL 17 Ca -0.15 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1mr9 s VAL 17 Cb 0.05 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1mr9 s VAL 17 CO 0.48 0.44 0.01 -1.10 0.00 0.00 0.00 175.10 174.93 1mr9 s GLN 18 N -0.52 0.10 0.23 2.72 -0.21 -0.92 -4.33 119.66 116.73 1mr9 s GLN 18 Ca 0.36 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 1mr9 s GLN 18 Cb -0.21 -0.27 -0.09 0.00 1.00 0.00 0.00 33.01 33.44 1mr9 s GLN 18 CO 0.23 -0.10 1.17 -0.06 -2.12 0.00 0.00 175.29 174.41 1mr9 s PHE 19 N 0.74 3.44 -0.10 0.91 2.99 -1.26 -0.78 117.98 123.92 1mr9 s PHE 19 Ca -0.07 1.52 -0.09 0.00 0.00 0.00 0.00 56.93 58.30 1mr9 s PHE 19 Cb -0.10 -3.40 -0.27 0.00 0.00 0.00 0.00 43.02 39.25 1mr9 s PHE 19 CO -0.02 -1.03 0.44 0.82 -0.00 0.00 0.00 175.22 175.43 1mr9 h ILE 20 N 3.46 0.73 -0.33 0.64 2.04 -1.81 -3.36 117.51 118.88 1mr9 h ILE 20 Ca -0.46 -2.38 0.07 0.00 1.00 0.00 0.00 64.86 63.09 1mr9 h ILE 20 Cb 1.21 2.57 -0.08 0.00 -0.74 0.00 0.00 36.82 39.78 1mr9 h ILE 20 CO 0.71 0.86 -0.34 0.50 0.00 0.00 0.00 178.15 179.89 1mr9 h LYS 21 N 0.02 -0.29 -0.47 2.37 3.64 -1.82 0.51 116.57 120.54 1mr9 h LYS 21 Ca -0.40 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1mr9 h LYS 21 Cb 2.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.87 1mr9 h LYS 21 CO 0.10 -0.19 0.32 -1.00 -2.27 0.00 0.00 179.45 176.41 1mr9 h PRO 22 N -0.30 0.22 0.09 1.90 0.13 -1.84 -1.89 132.00 130.31 1mr9 h PRO 22 Ca 0.15 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 1mr9 h PRO 22 Cb 0.55 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1mr9 h PRO 22 CO -0.49 0.15 -0.62 0.82 -0.23 0.00 0.00 178.00 177.63 1mr9 h ILE 23 N 0.23 1.54 -0.20 -3.56 2.04 -0.44 -3.15 117.51 113.97 1mr9 h ILE 23 Ca 0.22 -2.45 -0.09 0.00 1.00 0.00 0.00 64.86 63.54 1mr9 h ILE 23 Cb 0.56 3.18 -0.05 0.00 -0.74 0.00 0.00 36.82 39.76 1mr9 h ILE 23 CO -0.04 0.66 0.12 0.18 0.00 0.00 0.00 178.15 179.07 1mr9 n LEU 24 N -4.28 3.51 0.12 1.44 4.77 0.13 -4.13 117.00 118.56 1mr9 n LEU 24 Ca -0.14 -1.80 -0.01 0.00 -0.03 0.00 0.00 56.01 54.03 1mr9 n LEU 24 Cb 0.71 -0.57 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1mr9 n LEU 24 CO 0.42 0.57 0.42 -0.33 -1.33 0.00 0.00 177.39 177.13 1mr9 h GLU 25 N 0.31 0.00 -0.81 3.23 4.39 -1.30 -3.19 114.58 117.21 1mr9 h GLU 25 Ca 0.11 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 1mr9 h GLU 25 Cb 1.30 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.82 1mr9 h GLU 25 CO 0.21 0.68 0.28 1.63 -1.16 0.00 0.00 179.01 180.65 1mr9 n LYS 26 N -3.52 3.32 -4.01 2.33 4.01 -1.26 -4.83 118.16 114.19 1mr9 n LYS 26 Ca -0.00 -2.71 -0.31 0.00 -0.51 0.00 0.00 58.31 54.78 1mr9 n LYS 26 Cb 0.71 -2.11 -0.15 0.00 -0.51 0.00 0.00 35.03 32.97 1mr9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1mr9 s LEU 27 N -2.65 4.44 0.70 -0.35 1.43 -1.21 -5.10 118.68 115.94 1mr9 s LEU 27 Ca 0.49 -2.01 -0.17 0.00 -1.03 0.00 0.00 54.13 51.41 1mr9 s LEU 27 Cb 0.39 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 1mr9 s LEU 27 CO 0.12 -0.35 0.29 -1.84 0.23 0.00 0.00 176.35 174.79 1mr9 n GLU 28 N 4.31 0.23 -1.84 1.70 -0.00 -1.26 -2.58 120.64 121.20 1mr9 n GLU 28 Ca 0.01 0.11 -0.16 0.00 -0.00 0.00 0.00 57.16 57.11 1mr9 n GLU 28 Cb 0.42 -1.59 -0.05 0.00 -0.00 0.00 0.00 31.44 30.22 1mr9 n GLU 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1mr9 n ASN 29 N 0.63 -4.47 -3.95 -1.84 3.02 -1.26 -4.94 115.26 102.44 1mr9 n ASN 29 Ca 0.09 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.63 1mr9 n ASN 29 Cb 0.50 -3.94 -0.16 0.00 -0.61 0.00 0.00 39.78 35.57 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 -2.54 1.37 -0.20 2.41 1.01 -1.06 -0.52 120.40 120.87 1mr9 s VAL 30 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1mr9 s VAL 30 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1mr9 s VAL 30 CO 0.00 0.24 0.08 -1.61 0.00 0.00 0.00 175.10 173.81 1mr9 s GLU 31 N 1.53 3.94 -0.03 2.72 2.02 0.74 -4.92 118.70 124.70 1mr9 s GLU 31 Ca 0.02 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1mr9 s GLU 31 Cb -0.15 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.82 1mr9 s GLU 31 CO -0.09 0.17 -0.04 0.08 0.02 0.00 0.00 175.26 175.40 1mr9 s VAL 32 N 0.67 0.47 0.66 2.63 1.01 -1.25 -0.39 120.40 124.20 1mr9 s VAL 32 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1mr9 s VAL 32 Cb -0.13 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1mr9 s VAL 32 CO 0.02 0.20 0.97 -0.83 0.00 0.00 0.00 175.10 175.45 1mr9 s GLY 33 N 0.71 1.66 0.32 4.51 0.00 0.15 -4.61 107.32 110.06 1mr9 s GLY 33 Ca -0.09 -0.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.52 1mr9 s GLY 33 CO -0.00 -0.49 0.96 -0.54 0.00 0.00 0.00 173.10 173.03 1mr9 s GLU 34 N -5.14 4.58 0.00 2.90 8.01 -1.26 -3.97 118.70 123.83 1mr9 s GLU 34 Ca 0.58 1.40 0.00 0.00 0.01 0.00 0.00 54.97 56.96 1mr9 s GLU 34 Cb -0.11 -2.86 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 1mr9 s GLU 34 CO 0.45 0.26 0.00 0.66 0.01 0.00 0.00 175.26 176.64 1mr9 n TYR 35 N 0.66 0.00 -1.71 1.61 4.02 -1.26 -2.65 117.16 117.84 1mr9 n TYR 35 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1mr9 n TYR 35 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 0.19 2.80 -4.27 7.72 7.64 -1.26 -4.60 113.62 121.84 1mr9 n SER 36 Ca 0.00 1.19 -0.15 0.00 1.01 0.00 0.00 58.87 60.91 1mr9 n SER 36 Cb 0.00 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 61.60 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 -1.12 1.36 0.06 1.43 -0.85 -0.64 -2.53 117.35 115.07 1mr9 s TYR 37 Ca 0.56 -0.71 0.06 0.00 -0.52 0.00 0.00 57.07 56.46 1mr9 s TYR 37 Cb -0.55 -0.68 -0.04 0.00 0.38 0.00 0.00 41.96 41.08 1mr9 s TYR 37 CO 0.61 0.14 -0.09 -0.47 -1.52 0.00 0.00 175.55 174.23 1mr9 s TYR 38 N -3.22 2.78 -0.34 -3.49 5.04 0.04 -1.70 117.35 116.46 1mr9 s TYR 38 Ca 0.18 -0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 54.62 1mr9 s TYR 38 Cb 0.02 -1.50 0.04 0.00 0.35 0.00 0.00 41.96 40.87 1mr9 s TYR 38 CO 0.02 0.39 0.11 0.34 -1.34 0.00 0.00 175.55 175.07 1mr9 s ASP 39 N -1.86 5.33 0.23 4.32 2.15 -0.87 -2.16 116.67 123.80 1mr9 s ASP 39 Ca 0.19 -1.15 -0.31 0.00 0.43 0.00 0.00 52.55 51.71 1mr9 s ASP 39 Cb -0.11 -1.87 -0.12 0.00 -0.30 0.00 0.00 42.92 40.52 1mr9 s ASP 39 CO 0.11 -0.33 1.68 -0.44 -0.17 0.00 0.00 175.17 176.01 1mr9 s SER 40 N 1.42 6.39 0.42 -0.34 0.01 -0.74 -2.17 113.70 118.68 1mr9 s SER 40 Ca -0.02 2.88 0.08 0.00 1.31 0.00 0.00 55.95 60.20 1mr9 s SER 40 Cb -0.20 -2.61 0.88 0.00 0.21 0.00 0.00 66.02 64.31 1mr9 s SER 40 CO 0.03 -0.95 2.04 0.50 0.41 0.00 0.00 173.24 175.27 1mr9 h LYS 41 N 6.24 0.44 0.00 12.44 3.64 -1.89 -3.39 116.57 134.05 1mr9 h LYS 41 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1mr9 h LYS 41 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1mr9 h LYS 41 CO 0.91 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 178.51 1mr9 n ASN 42 N -4.45 0.00 0.00 4.20 3.02 -1.26 -5.01 115.26 111.76 1mr9 n ASN 42 Ca 0.02 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1mr9 n ASN 42 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.00 1.30 3.72 7.41 0.00 -1.26 -5.09 105.19 111.28 1mr9 n GLY 43 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.06 2.53 -2.61 1.61 0.00 -1.26 -5.01 120.64 115.84 1mr9 n GLU 44 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 57.16 57.78 1mr9 n GLU 44 Cb 0.00 -2.66 -0.00 0.00 0.00 0.00 0.00 31.44 28.77 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 0.21 4.88 0.13 3.84 -4.23 -1.26 -4.62 115.64 114.59 1mr9 s THR 45 Ca 0.67 0.30 0.34 0.00 -1.18 0.00 0.00 61.69 61.83 1mr9 s THR 45 Cb -0.54 -3.85 0.38 0.00 1.34 0.00 0.00 72.50 69.83 1mr9 s THR 45 CO 0.46 -0.83 2.02 0.15 -0.54 0.00 0.00 174.62 175.87 1mr9 h PHE 46 N 0.31 0.00 -0.23 3.99 3.57 -1.97 -1.90 116.94 120.71 1mr9 h PHE 46 Ca -0.47 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1mr9 h PHE 46 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1mr9 h PHE 46 CO 0.59 0.00 0.12 0.38 -2.23 0.00 0.00 178.31 177.17 1mr9 h ASP 47 N 0.00 0.28 0.30 0.41 2.03 -1.94 -0.49 116.42 117.02 1mr9 h ASP 47 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1mr9 h ASP 47 Cb 0.38 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1mr9 h ASP 47 CO 0.00 0.23 0.00 0.29 -1.03 0.00 0.00 179.24 178.73 1mr9 n LYS 48 N -4.47 0.46 0.00 4.15 4.76 -0.71 -2.56 118.16 119.79 1mr9 n LYS 48 Ca 0.00 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.61 1mr9 n LYS 48 Cb 0.10 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 31.93 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 1.75 -3.26 1.97 1.13 -0.19 -4.77 117.38 112.81 1mr9 n GLN 49 Ca 0.13 -1.38 -0.44 0.00 -1.94 0.00 0.00 57.00 53.38 1mr9 n GLN 49 Cb 0.15 -1.47 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 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 -2.20 5.05 -0.02 5.09 1.01 -1.06 -0.47 121.20 128.59 1mr9 s ILE 50 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1mr9 s ILE 50 Cb 0.19 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1mr9 s ILE 50 CO 0.41 -0.72 0.03 -0.76 0.00 0.00 0.00 174.94 173.90 1mr9 s LEU 51 N 2.15 3.68 -1.34 2.97 1.43 0.88 -4.55 118.68 123.91 1mr9 s LEU 51 Ca 0.10 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1mr9 s LEU 51 Cb -0.22 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1mr9 s LEU 51 CO 0.09 0.30 1.13 -1.22 0.23 0.00 0.00 176.35 176.87 1mr9 n TYR 52 N 1.47 -2.69 -3.58 0.29 0.53 -1.26 -4.34 117.16 107.58 1mr9 n TYR 52 Ca -0.15 0.99 -0.40 0.00 -1.02 0.00 0.00 57.90 57.32 1mr9 n TYR 52 Cb 0.53 -4.96 -0.08 0.00 -1.03 0.00 0.00 39.34 33.80 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 -3.33 3.47 -0.04 -0.72 2.46 -1.26 -0.82 115.29 115.04 1mr9 s HIS 53 Ca 0.47 -2.06 -0.01 0.00 0.47 0.00 0.00 55.06 53.93 1mr9 s HIS 53 Cb -0.21 -3.46 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 1mr9 s HIS 53 CO 0.74 -0.97 0.03 0.71 -2.47 0.00 0.00 174.74 172.78 1mr9 s TYR 54 N 1.01 3.19 0.01 3.88 2.02 -1.26 -5.04 117.35 121.16 1mr9 s TYR 54 Ca 0.09 0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.84 1mr9 s TYR 54 Cb -0.23 -1.74 -0.07 0.00 -0.40 0.00 0.00 41.96 39.51 1mr9 s TYR 54 CO -0.02 0.50 1.04 -1.35 -1.57 0.00 0.00 175.55 174.15 1mr9 h PRO 55 N 4.60 -0.43 -0.93 -1.71 0.11 -1.97 -3.17 132.00 128.49 1mr9 h PRO 55 Ca -0.50 0.03 0.30 0.00 0.11 0.00 0.00 66.00 65.94 1mr9 h PRO 55 Cb 1.19 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1mr9 h PRO 55 CO 0.58 -0.29 0.63 1.51 -0.21 0.00 0.00 178.00 180.22 1mr9 n ILE 56 N -3.36 -0.10 1.48 4.15 3.06 -1.26 0.18 119.36 123.51 1mr9 n ILE 56 Ca -0.06 1.00 0.13 0.00 -2.50 0.00 0.00 62.75 61.32 1mr9 n ILE 56 Cb 0.18 -1.64 0.51 0.00 0.54 0.00 0.00 39.64 39.22 1mr9 n ILE 56 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 1mr9 n LEU 57 N -3.60 1.32 -3.86 9.51 7.94 -1.20 -4.92 117.00 122.19 1mr9 n LEU 57 Ca 0.25 -0.49 -0.26 0.00 -1.11 0.00 0.00 56.01 54.40 1mr9 n LEU 57 Cb 1.02 -0.04 0.01 0.00 0.53 0.00 0.00 43.42 44.94 1mr9 n LEU 57 CO 0.16 0.25 -0.08 -3.20 -1.11 0.00 0.00 177.39 173.41 1mr9 n ASN 58 N 0.06 -1.85 -4.14 1.96 4.05 0.49 -4.96 115.26 110.87 1mr9 n ASN 58 Ca 0.18 -0.88 -0.21 0.00 0.45 0.00 0.00 54.58 54.12 1mr9 n ASN 58 Cb 0.30 -3.63 -0.14 0.00 1.23 0.00 0.00 39.78 37.55 1mr9 n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1mr9 s ASP 59 N -4.06 1.68 0.13 1.20 -4.77 -1.26 -5.00 116.67 104.58 1mr9 s ASP 59 Ca 0.20 -0.40 0.11 0.00 -3.30 0.00 0.00 52.55 49.16 1mr9 s ASP 59 Cb -0.10 -0.13 -0.04 0.00 -1.09 0.00 0.00 42.92 41.56 1mr9 s ASP 59 CO 0.85 0.08 -0.25 -0.54 0.70 0.00 0.00 175.17 176.00 1mr9 s LYS 60 N -0.90 1.47 -0.25 2.11 -0.14 -1.26 -4.93 119.74 115.83 1mr9 s LYS 60 Ca 0.03 -1.32 -0.05 0.00 -1.36 0.00 0.00 55.97 53.26 1mr9 s LYS 60 Cb -0.07 -1.94 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 1mr9 s LYS 60 CO 0.01 0.45 0.02 -1.17 -0.76 0.00 0.00 175.35 173.90 1mr9 s LEU 61 N -2.09 3.32 -0.26 3.17 2.96 0.32 -1.89 118.68 124.21 1mr9 s LEU 61 Ca 0.15 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1mr9 s LEU 61 Cb -0.10 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.83 1mr9 s LEU 61 CO 0.07 -0.08 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.33 1mr9 s LYS 62 N 1.51 2.18 -0.00 1.98 0.00 -0.56 -0.18 119.74 124.66 1mr9 s LYS 62 Ca 0.05 -1.34 0.02 0.00 0.00 0.00 0.00 55.97 54.70 1mr9 s LYS 62 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 37.83 34.77 1mr9 s LYS 62 CO -0.00 -0.58 -0.02 0.42 0.00 0.00 0.00 175.35 175.17 1mr9 s ILE 63 N 1.12 3.99 0.00 3.79 1.01 0.48 -1.33 121.20 130.26 1mr9 s ILE 63 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1mr9 s ILE 63 Cb -0.20 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1mr9 s ILE 63 CO -0.05 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1mr9 n GLY 64 N 1.45 0.66 3.12 6.18 0.00 -0.87 -1.79 105.19 113.95 1mr9 n GLY 64 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1mr9 n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mr9 s LYS 65 N 1.54 0.29 -1.38 1.61 2.20 -1.25 0.33 119.74 123.09 1mr9 s LYS 65 Ca 0.00 0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.81 1mr9 s LYS 65 Cb 0.00 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1mr9 s LYS 65 CO 0.00 -0.04 1.06 1.19 -0.36 0.00 0.00 175.35 177.20 1mr9 n PHE 66 N 2.85 -2.55 -3.73 4.03 3.72 -1.08 0.82 117.46 121.51 1mr9 n PHE 66 Ca -0.13 0.96 -0.33 0.00 -0.05 0.00 0.00 57.45 57.90 1mr9 n PHE 66 Cb 0.58 -4.71 -0.05 0.00 -0.94 0.00 0.00 39.48 34.37 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 -2.17 4.10 -0.22 0.00 0.01 -1.06 -1.62 113.70 112.74 1mr9 s SER 68 Ca 0.35 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 1mr9 s SER 68 Cb -0.13 -1.67 0.06 0.00 0.21 0.00 0.00 66.02 64.49 1mr9 s SER 68 CO 0.22 0.04 -0.02 -0.63 0.41 0.00 0.00 173.24 173.26 1mr9 s ILE 69 N 1.11 1.19 0.72 1.44 1.01 -0.69 -0.91 121.20 125.07 1mr9 s ILE 69 Ca 0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1mr9 s ILE 69 Cb -0.15 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 40.86 1mr9 s ILE 69 CO -0.02 -0.15 1.04 -0.83 0.00 0.00 0.00 174.94 174.98 1mr9 s GLY 70 N 1.55 1.70 0.36 6.18 0.00 -1.00 -2.05 107.32 114.05 1mr9 s GLY 70 Ca -0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 1mr9 s GLY 70 CO -0.07 -0.55 1.48 -1.55 0.00 0.00 0.00 173.10 172.41 1mr9 n PRO 71 N -2.98 2.62 -0.50 2.90 -0.04 -0.92 -2.54 135.00 133.54 1mr9 n PRO 71 Ca 0.09 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1mr9 n PRO 71 Cb 0.60 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1mr9 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mr9 n GLY 72 N 0.68 1.46 3.77 0.55 0.00 -1.26 -0.63 105.19 109.76 1mr9 n GLY 72 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.30 2.24 -0.04 1.61 1.01 -1.05 -4.25 120.40 116.62 1mr9 s VAL 73 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1mr9 s VAL 73 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1mr9 s VAL 73 CO 0.00 0.05 -0.07 0.42 0.00 0.00 0.00 175.10 175.50 1mr9 s THR 74 N -0.84 0.68 -0.37 3.92 -4.23 -0.35 -4.84 115.64 109.61 1mr9 s THR 74 Ca 0.54 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1mr9 s THR 74 Cb -0.45 -0.64 0.08 0.00 1.34 0.00 0.00 72.50 72.83 1mr9 s THR 74 CO 0.57 0.24 0.14 -0.63 -0.54 0.00 0.00 174.62 174.40 1mr9 s ILE 75 N 0.51 3.46 0.65 2.99 1.01 0.38 -0.82 121.20 129.37 1mr9 s ILE 75 Ca -0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 58.92 1mr9 s ILE 75 Cb -0.11 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.25 1mr9 s ILE 75 CO 0.01 -0.42 0.93 -0.63 0.00 0.00 0.00 174.94 174.82 1mr9 s ILE 76 N 1.26 2.46 -1.80 2.92 -1.09 -0.06 -0.08 121.20 124.82 1mr9 s ILE 76 Ca 0.02 -0.40 0.25 0.00 -2.23 0.00 0.00 60.65 58.29 1mr9 s ILE 76 Cb -0.22 -3.02 0.13 0.00 -1.58 0.00 0.00 42.46 37.78 1mr9 s ILE 76 CO -0.01 -0.02 1.35 0.59 -1.23 0.00 0.00 174.94 175.62 1mr9 n ASN 78 N -2.70 1.39 0.00 3.58 3.02 -1.24 -2.46 115.26 116.84 1mr9 n ASN 78 Ca 0.08 -1.11 0.08 0.00 -0.03 0.00 0.00 54.58 53.60 1mr9 n ASN 78 Cb 0.60 0.31 0.43 0.00 -0.61 0.00 0.00 39.78 40.51 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 1.38 -0.68 0.02 7.41 0.00 -0.00 -3.17 105.19 110.15 1mr9 n GLY 79 Ca 0.10 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1mr9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr9 n ALA 80 N -1.17 3.20 -2.75 4.61 0.00 -1.26 -4.92 120.51 118.23 1mr9 n ALA 80 Ca 0.09 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 1mr9 n ALA 80 Cb 0.10 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.31 6.36 0.84 0.00 0.01 -1.19 -5.08 114.94 112.57 1mr9 s ASN 81 Ca 0.10 0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 52.54 1mr9 s ASN 81 Cb 0.17 -2.12 0.11 0.00 0.41 0.00 0.00 41.25 39.81 1mr9 s ASN 81 CO 0.68 0.22 1.20 -1.00 -1.51 0.00 0.00 177.10 176.69 1mr9 s HIS 82 N -0.03 2.59 0.76 2.20 3.76 -1.26 -4.89 115.29 118.43 1mr9 s HIS 82 Ca 0.13 0.61 -0.07 0.00 -0.15 0.00 0.00 55.06 55.58 1mr9 s HIS 82 Cb -0.12 -3.63 0.11 0.00 1.11 0.00 0.00 32.58 30.05 1mr9 s HIS 82 CO 0.02 -1.97 1.07 0.50 -0.85 0.00 0.00 174.74 173.51 1mr9 s ARG 83 N -5.63 1.72 0.00 1.40 3.52 -1.26 -4.72 118.95 113.98 1mr9 s ARG 83 Ca 0.65 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1mr9 s ARG 83 Cb -0.09 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 1mr9 s ARG 83 CO 0.50 -1.54 0.00 -0.40 -0.81 0.00 0.00 175.30 173.05 1mr9 n ASP 85 N -3.06 0.00 0.00 -2.12 5.68 -1.26 -3.04 116.55 112.74 1mr9 n ASP 85 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1mr9 n ASP 85 Cb 0.60 -1.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 1mr9 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mr9 n GLY 86 N -1.60 2.04 3.68 6.12 0.00 -1.26 -5.10 105.19 109.06 1mr9 n GLY 86 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 7.16 -0.02 1.61 0.15 -1.26 -4.89 113.70 118.45 1mr9 s SER 87 Ca 0.00 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.19 1mr9 s SER 87 Cb 0.00 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.87 1mr9 s SER 87 CO 0.00 -0.55 0.81 0.35 1.20 0.00 0.00 173.24 175.05 1mr9 n THR 88 N 4.85 0.31 -2.39 6.45 -2.24 -1.17 -4.72 114.28 115.37 1mr9 n THR 88 Ca 0.10 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1mr9 n THR 88 Cb 0.47 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.45 3.43 -1.07 4.78 6.14 -1.26 -4.60 117.35 123.32 1mr9 s TYR 89 Ca 0.08 1.34 -0.17 0.00 0.64 0.00 0.00 57.07 58.95 1mr9 s TYR 89 Cb 0.05 -3.43 0.13 0.00 0.42 0.00 0.00 41.96 39.13 1mr9 s TYR 89 CO 0.03 -1.29 1.31 -1.25 0.64 0.00 0.00 175.55 174.99 1mr9 s PRO 90 N 0.51 3.81 0.28 4.97 0.04 -1.26 -4.82 135.00 138.52 1mr9 s PRO 90 Ca 0.56 -2.03 -0.01 0.00 0.04 0.00 0.00 61.00 59.56 1mr9 s PRO 90 Cb -0.31 -5.06 0.46 0.00 0.04 0.00 0.00 34.50 29.63 1mr9 s PRO 90 CO 0.32 -1.84 1.89 0.74 0.04 0.00 0.00 177.00 178.15 1mr9 h PHE 91 N 8.20 1.15 0.30 0.56 -1.00 -1.93 -3.32 116.94 120.90 1mr9 h PHE 91 Ca 0.24 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 1mr9 h PHE 91 Cb 0.96 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1mr9 h PHE 91 CO 1.17 0.59 -0.14 -2.95 -1.61 0.00 0.00 178.31 175.37 1mr9 h ASN 92 N 1.12 -0.34 -0.10 2.17 -1.07 -1.87 -2.88 115.58 112.62 1mr9 h ASN 92 Ca 0.42 -0.06 0.03 0.00 0.07 0.00 0.00 56.30 56.76 1mr9 h ASN 92 Cb 0.20 0.09 -0.00 0.00 -2.07 0.00 0.00 38.32 36.53 1mr9 h ASN 92 CO -0.17 -0.15 0.23 -0.07 0.07 0.00 0.00 177.43 177.34 1mr9 h LEU 93 N -0.50 0.00 0.10 6.14 3.38 -1.90 1.48 115.31 124.01 1mr9 h LEU 93 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1mr9 h LEU 93 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1mr9 h LEU 93 CO 0.07 0.00 -0.98 -0.26 0.09 0.00 0.00 178.44 177.36 1mr9 h PHE 94 N 0.00 0.79 0.00 1.13 -1.00 -1.70 -3.49 116.94 112.68 1mr9 h PHE 94 Ca 0.05 -0.50 0.00 0.00 2.81 0.00 0.00 57.97 60.33 1mr9 h PHE 94 Cb 0.51 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1mr9 h PHE 94 CO 0.00 1.35 0.00 0.41 -1.61 0.00 0.00 178.31 178.46 1mr9 n GLY 95 N 1.39 1.40 3.64 -1.45 0.00 0.51 -4.92 105.19 105.75 1mr9 n GLY 95 Ca -0.13 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.02 -5.83 0.00 1.61 3.02 -1.26 -3.12 115.26 109.65 1mr9 n ASN 96 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1mr9 n ASN 96 Cb 0.00 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.32 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 -1.91 3.70 0.14 7.41 0.00 -1.26 -4.95 105.19 108.32 1mr9 n GLY 97 Ca -0.01 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.18 1mr9 n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1mr9 h TRP 98 N 0.00 0.00 -0.08 1.61 6.55 -1.82 -3.31 115.95 118.90 1mr9 h TRP 98 Ca 0.00 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.86 1mr9 h TRP 98 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1mr9 h TRP 98 CO 0.00 0.00 0.20 1.05 -1.05 0.00 0.00 178.44 178.64 1mr9 h GLU 99 N 0.00 0.00 0.00 0.49 9.09 -1.81 0.28 114.58 122.63 1mr9 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mr9 h GLU 99 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1mr9 h GLU 99 CO 0.00 0.00 0.00 0.36 0.05 0.00 0.00 179.01 179.42 1mr9 n LYS 100 N -3.29 0.03 -3.60 1.06 2.85 -1.25 -4.94 118.16 109.01 1mr9 n LYS 100 Ca -0.01 0.33 -0.40 0.00 -1.05 0.00 0.00 58.31 57.17 1mr9 n LYS 100 Cb 0.28 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.05 1mr9 n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1mr9 s HIS 101 N -2.91 3.26 0.20 5.58 3.76 0.98 -5.14 115.29 121.02 1mr9 s HIS 101 Ca 0.05 -1.08 0.10 0.00 -0.15 0.00 0.00 55.06 53.98 1mr9 s HIS 101 Cb 0.05 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1mr9 s HIS 101 CO 0.15 -0.69 -0.16 -1.25 -0.85 0.00 0.00 174.74 171.93 1mr9 s PRO 103 N 1.53 1.79 0.10 8.40 0.04 -1.26 -4.78 135.00 140.82 1mr9 s PRO 103 Ca 0.02 -1.45 -0.06 0.00 0.04 0.00 0.00 61.00 59.55 1mr9 s PRO 103 Cb -0.20 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1mr9 s PRO 103 CO 0.06 0.40 0.35 0.15 0.04 0.00 0.00 177.00 178.00 1mr9 s LYS 104 N -2.89 3.63 0.21 4.56 -0.14 -1.26 -4.93 119.74 118.91 1mr9 s LYS 104 Ca 0.24 -0.05 0.03 0.00 -1.36 0.00 0.00 55.97 54.82 1mr9 s LYS 104 Cb -0.08 -2.94 0.54 0.00 -1.68 0.00 0.00 37.83 33.67 1mr9 s LYS 104 CO 0.13 0.53 1.02 1.28 -0.76 0.00 0.00 175.35 177.55 1mr9 n LEU 105 N 0.49 -0.04 -0.83 3.17 4.77 -1.26 0.12 117.00 123.42 1mr9 n LEU 105 Ca -0.06 1.10 0.12 0.00 -0.03 0.00 0.00 56.01 57.14 1mr9 n LEU 105 Cb 0.52 -0.42 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1mr9 n LEU 105 CO 0.46 -1.13 0.59 -0.90 -1.33 0.00 0.00 177.39 175.09 1mr9 n ASP 106 N -4.81 2.69 0.12 -1.43 5.75 -1.26 -4.06 116.55 113.56 1mr9 n ASP 106 Ca 0.16 -1.86 -0.24 0.00 -0.01 0.00 0.00 54.79 52.84 1mr9 n ASP 106 Cb 0.54 0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.56 1mr9 n ASP 106 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1mr9 h GLN 107 N 4.09 0.55 0.00 0.11 4.15 0.58 -3.46 115.11 121.13 1mr9 h GLN 107 Ca 0.00 -0.87 -0.23 0.00 0.77 0.00 0.00 58.65 58.32 1mr9 h GLN 107 Cb 0.91 0.31 0.13 0.00 0.21 0.00 0.00 27.48 29.05 1mr9 h GLN 107 CO 0.00 1.41 -0.09 1.28 -1.93 0.00 0.00 178.83 179.50 1mr9 n LEU 108 N -3.78 0.00 -4.98 -2.39 4.77 -1.13 -4.95 117.00 104.54 1mr9 n LEU 108 Ca -0.16 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.06 1mr9 n LEU 108 Cb 1.05 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1mr9 n LEU 108 CO 0.59 -2.26 0.02 -2.16 -1.33 0.00 0.00 177.39 172.25 1mr9 s PRO 109 N -4.30 3.26 -0.15 3.23 0.04 -1.26 -5.07 135.00 130.74 1mr9 s PRO 109 Ca 0.41 -0.89 -0.04 0.00 0.04 0.00 0.00 61.00 60.52 1mr9 s PRO 109 Cb -0.07 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.70 1mr9 s PRO 109 CO 0.34 0.21 0.24 0.42 0.04 0.00 0.00 177.00 178.26 1mr9 s ILE 110 N -2.10 -0.37 -1.32 0.56 1.01 -1.26 -5.02 121.20 112.70 1mr9 s ILE 110 Ca 0.40 0.15 0.28 0.00 0.00 0.00 0.00 60.65 61.48 1mr9 s ILE 110 Cb -0.09 -0.52 0.30 0.00 0.01 0.00 0.00 42.46 42.16 1mr9 s ILE 110 CO 0.30 0.01 1.79 0.29 0.00 0.00 0.00 174.94 177.33 1mr9 n LYS 111 N 5.34 0.34 0.00 2.79 5.02 -1.26 -5.00 118.16 125.38 1mr9 n LYS 111 Ca -0.06 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1mr9 n LYS 111 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.39 0.88 3.91 0.72 0.00 -1.26 -4.50 105.19 106.33 1mr9 n GLY 112 Ca 0.10 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.61 5.77 -0.19 1.61 1.01 -1.26 -4.23 116.67 116.77 1mr9 s ASP 113 Ca 0.00 0.83 -0.06 0.00 0.71 0.00 0.00 52.55 54.02 1mr9 s ASP 113 Cb 0.00 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 1mr9 s ASP 113 CO 0.00 -0.96 0.04 -0.89 0.21 0.00 0.00 175.17 173.57 1mr9 s THR 114 N -2.97 4.44 -0.15 -1.27 2.01 -0.79 -3.73 115.64 113.17 1mr9 s THR 114 Ca 0.53 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 1mr9 s THR 114 Cb -0.11 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.43 1mr9 s THR 114 CO 0.46 0.44 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.11 1mr9 s ILE 115 N 0.69 1.23 -0.15 1.82 1.01 -0.62 -1.50 121.20 123.69 1mr9 s ILE 115 Ca 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1mr9 s ILE 115 Cb -0.14 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1mr9 s ILE 115 CO 0.02 0.27 0.01 -0.63 0.00 0.00 0.00 174.94 174.61 1mr9 s ILE 116 N 1.60 4.30 0.00 2.92 1.01 -0.44 0.29 121.20 130.87 1mr9 s ILE 116 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1mr9 s ILE 116 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1mr9 s ILE 116 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1mr9 n GLY 117 N 3.24 0.19 3.78 6.18 0.00 0.11 -2.04 105.19 116.64 1mr9 n GLY 117 Ca -0.17 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.15 5.54 -1.55 1.61 -0.87 -1.26 -3.03 114.94 114.23 1mr9 s ASN 118 Ca 0.00 -0.01 -0.03 0.00 -1.57 0.00 0.00 52.86 51.25 1mr9 s ASN 118 Cb 0.00 -1.49 0.01 0.00 -0.02 0.00 0.00 41.25 39.75 1mr9 s ASN 118 CO 0.00 0.17 0.28 -0.67 -2.57 0.00 0.00 177.10 174.31 1mr9 n ASP 119 N 0.42 -5.49 -4.75 -1.22 4.64 0.24 -0.44 116.55 109.95 1mr9 n ASP 119 Ca -0.08 -0.12 -0.36 0.00 -1.38 0.00 0.00 54.79 52.85 1mr9 n ASP 119 Cb 0.52 -4.52 -0.08 0.00 -1.04 0.00 0.00 41.12 35.99 1mr9 n ASP 119 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1mr9 s VAL 120 N -3.02 4.94 -0.28 5.18 -7.23 -1.25 -3.35 120.40 115.39 1mr9 s VAL 120 Ca 0.15 -0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1mr9 s VAL 120 Cb -0.07 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.74 1mr9 s VAL 120 CO 0.19 0.58 0.02 0.86 -0.31 0.00 0.00 175.10 176.43 1mr9 s TRP 121 N -0.64 3.13 -0.15 2.82 -0.00 -0.45 -2.55 118.94 121.10 1mr9 s TRP 121 Ca 0.12 -1.32 -0.06 0.00 -0.00 0.00 0.00 56.10 54.83 1mr9 s TRP 121 Cb -0.12 -2.16 -0.04 0.00 -0.00 0.00 0.00 33.47 31.15 1mr9 s TRP 121 CO 0.02 -0.67 0.06 0.42 -0.00 0.00 0.00 176.95 176.79 1mr9 s ILE 122 N 1.40 4.81 0.98 5.86 1.01 -0.09 -1.52 121.20 133.66 1mr9 s ILE 122 Ca 0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1mr9 s ILE 122 Cb -0.17 -3.13 0.20 0.00 0.01 0.00 0.00 42.46 39.37 1mr9 s ILE 122 CO -0.01 0.51 1.27 -0.83 0.00 0.00 0.00 174.94 175.89 1mr9 s GLY 123 N -0.10 1.73 0.29 6.18 0.00 -0.73 -2.39 107.32 112.30 1mr9 s GLY 123 Ca 0.07 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 1mr9 s GLY 123 CO 0.01 -0.33 1.12 1.17 0.00 0.00 0.00 173.10 175.07 1mr9 n LYS 124 N -3.88 1.58 -2.40 2.90 4.81 -1.26 -3.41 118.16 116.50 1mr9 n LYS 124 Ca 0.14 0.55 -0.15 0.00 -0.87 0.00 0.00 58.31 57.98 1mr9 n LYS 124 Cb 0.60 -2.01 -0.01 0.00 0.02 0.00 0.00 35.03 33.63 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 1.24 -4.64 -4.81 3.14 10.43 0.20 -0.27 116.55 121.84 1mr9 n ASP 125 Ca 0.09 0.12 -0.37 0.00 2.57 0.00 0.00 54.79 57.21 1mr9 n ASP 125 Cb 0.32 -3.91 -0.06 0.00 1.84 0.00 0.00 41.12 39.31 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 -2.76 4.50 -0.28 2.53 1.01 -1.22 -3.86 120.40 120.32 1mr9 s VAL 126 Ca 0.00 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.35 1mr9 s VAL 126 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1mr9 s VAL 126 CO 0.00 0.25 0.01 -0.69 0.00 0.00 0.00 175.10 174.67 1mr9 s VAL 127 N -1.48 3.36 0.56 2.92 1.01 0.92 -1.20 120.40 126.48 1mr9 s VAL 127 Ca 0.43 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1mr9 s VAL 127 Cb -0.18 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.51 1mr9 s VAL 127 CO 0.22 0.09 0.78 -0.63 0.00 0.00 0.00 175.10 175.56 1mr9 s ILE 128 N 1.39 2.46 0.20 2.22 -1.09 -0.00 -0.77 121.20 125.60 1mr9 s ILE 128 Ca 0.00 -0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 1mr9 s ILE 128 Cb -0.17 -2.61 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 1mr9 s ILE 128 CO -0.01 0.00 0.64 -2.84 -1.23 0.00 0.00 174.94 171.51 1mr9 s PRO 130 N -4.71 4.09 -0.12 2.79 0.02 -1.03 -0.88 135.00 135.17 1mr9 s PRO 130 Ca 0.60 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.29 1mr9 s PRO 130 Cb -0.08 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1mr9 s PRO 130 CO 0.39 0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.87 1mr9 n GLY 131 N 0.61 0.48 3.83 0.52 0.00 -1.24 -4.85 105.19 104.54 1mr9 n GLY 131 Ca -0.03 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1mr9 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mr9 s VAL 132 N -1.90 4.85 -0.22 1.61 -7.23 -1.26 -4.80 120.40 111.46 1mr9 s VAL 132 Ca 0.00 0.96 0.01 0.00 -1.81 0.00 0.00 61.98 61.14 1mr9 s VAL 132 Cb 0.00 -3.79 0.03 0.00 0.56 0.00 0.00 36.38 33.19 1mr9 s VAL 132 CO 0.00 0.43 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.55 1mr9 s LYS 133 N -1.46 2.70 -0.17 4.82 1.02 -1.26 -1.59 119.74 123.80 1mr9 s LYS 133 Ca 0.31 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 1mr9 s LYS 133 Cb -0.17 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1mr9 s LYS 133 CO 0.18 -0.38 0.04 0.42 -0.92 0.00 0.00 175.35 174.69 1mr9 s ILE 134 N 1.24 4.59 0.63 2.17 1.01 0.14 0.19 121.20 131.18 1mr9 s ILE 134 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1mr9 s ILE 134 Cb -0.16 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1mr9 s ILE 134 CO -0.08 0.47 0.94 -0.83 0.00 0.00 0.00 174.94 175.45 1mr9 s GLY 135 N 0.31 1.63 0.57 6.18 0.00 0.16 0.06 107.32 116.23 1mr9 s GLY 135 Ca 0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 1mr9 s GLY 135 CO 0.01 -0.42 0.78 1.22 0.00 0.00 0.00 173.10 174.69 1mr9 n ASP 136 N -2.70 0.04 0.00 1.64 9.92 -1.26 -2.80 116.55 121.39 1mr9 n ASP 136 Ca 0.06 0.80 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 1mr9 n ASP 136 Cb 0.58 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 1mr9 n ASP 136 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mr9 n GLY 137 N 1.49 0.73 3.90 0.44 0.00 0.41 -1.36 105.19 110.81 1mr9 n GLY 137 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.03 3.09 -0.08 4.61 0.00 -1.12 -3.73 121.76 121.49 1mr9 s ALA 138 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1mr9 s ALA 138 Cb 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.38 1mr9 s ALA 138 CO 0.00 -1.02 0.16 0.42 0.00 0.00 0.00 175.76 175.31 1mr9 s ILE 139 N -3.19 -0.25 -0.14 0.00 1.01 -1.26 -1.35 121.20 116.03 1mr9 s ILE 139 Ca 0.56 0.35 -0.06 0.00 0.00 0.00 0.00 60.65 61.51 1mr9 s ILE 139 Cb -0.11 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1mr9 s ILE 139 CO 0.48 0.15 0.08 0.68 0.00 0.00 0.00 174.94 176.33 1mr9 s VAL 140 N 2.25 5.02 0.37 2.92 -7.23 -0.58 -1.05 120.40 122.10 1mr9 s VAL 140 Ca 0.03 0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.04 1mr9 s VAL 140 Cb -0.12 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 1mr9 s VAL 140 CO -0.06 0.56 0.87 0.00 -0.31 0.00 0.00 175.10 176.16 1mr9 s ALA 141 N -0.49 3.17 0.68 1.32 0.00 -0.13 -1.77 121.76 124.54 1mr9 s ALA 141 Ca 0.11 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1mr9 s ALA 141 Cb -0.12 -3.01 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 1mr9 s ALA 141 CO 0.02 0.21 0.03 0.00 0.00 0.00 0.00 175.76 176.02 1mr9 n ALA 142 N -0.35 -2.83 -3.15 0.00 0.00 -1.26 -2.70 120.51 110.22 1mr9 n ALA 142 Ca 0.05 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1mr9 n ALA 142 Cb 0.53 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.54 -4.09 -4.87 0.00 3.02 0.63 -4.72 115.26 106.77 1mr9 n ASN 143 Ca 0.07 -0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 53.98 1mr9 n ASN 143 Cb 0.50 -3.38 -0.06 0.00 -0.61 0.00 0.00 39.78 36.22 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 -2.60 6.34 -0.41 6.41 0.01 -1.10 -4.72 113.70 117.64 1mr9 s SER 144 Ca 0.31 0.46 -0.13 0.00 1.31 0.00 0.00 55.95 57.90 1mr9 s SER 144 Cb -0.16 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1mr9 s SER 144 CO 0.39 0.41 0.29 -0.69 0.41 0.00 0.00 173.24 174.04 1mr9 s VAL 145 N -1.02 4.90 -0.20 3.43 1.01 -0.70 -0.06 120.40 127.75 1mr9 s VAL 145 Ca 0.15 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1mr9 s VAL 145 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1mr9 s VAL 145 CO 0.04 -0.37 0.52 -0.69 0.00 0.00 0.00 175.10 174.59 1mr9 s VAL 146 N 1.60 5.11 -0.02 2.92 1.01 0.05 -0.22 120.40 130.85 1mr9 s VAL 146 Ca 0.03 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1mr9 s VAL 146 Cb -0.21 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1mr9 s VAL 146 CO 0.07 0.18 0.82 1.33 0.00 0.00 0.00 175.10 177.51 1mr9 n VAL 147 N 4.51 0.54 -4.05 2.92 0.24 -1.26 -4.58 118.33 116.65 1mr9 n VAL 147 Ca -0.05 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.54 1mr9 n VAL 147 Cb 0.50 0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.68 0.50 0.41 7.34 1.02 -1.26 -4.93 119.74 122.15 1mr9 s LYS 148 Ca 0.04 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.01 1mr9 s LYS 148 Cb 0.04 -0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.04 1mr9 s LYS 148 CO 0.00 0.03 1.32 -0.25 -0.92 0.00 0.00 175.35 175.53 1mr9 n ASP 149 N 1.40 2.84 -4.52 2.83 8.00 -1.26 -4.42 116.55 121.42 1mr9 n ASP 149 Ca -0.22 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.08 1mr9 n ASP 149 Cb 0.55 -1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.00 1mr9 n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mr9 s ILE 150 N -1.17 3.49 0.36 0.53 1.01 0.51 -4.87 121.20 121.05 1mr9 s ILE 150 Ca 0.59 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 1mr9 s ILE 150 Cb -0.50 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1mr9 s ILE 150 CO 0.59 0.57 0.61 0.00 0.00 0.00 0.00 174.94 176.72 1mr9 s ALA 151 N -0.50 3.60 0.03 9.38 0.00 -1.26 -0.66 121.76 132.35 1mr9 s ALA 151 Ca 0.07 -0.69 -0.36 0.00 0.00 0.00 0.00 51.96 50.98 1mr9 s ALA 151 Cb -0.12 -2.29 -0.19 0.00 0.00 0.00 0.00 23.12 20.52 1mr9 s ALA 151 CO 0.02 -0.02 0.93 -2.30 0.00 0.00 0.00 175.76 174.39 1mr9 n PRO 152 N -1.63 0.00 -2.64 0.00 -0.02 -1.26 -4.48 135.00 124.97 1mr9 n PRO 152 Ca -0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.43 1mr9 n PRO 152 Cb 0.55 -1.35 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.20 -2.46 -3.79 6.00 4.02 -0.46 -4.89 117.16 116.77 1mr9 n TYR 153 Ca 0.19 1.44 -0.24 0.00 -0.01 0.00 0.00 57.90 59.28 1mr9 n TYR 153 Cb 0.10 -2.55 -0.17 0.00 -0.02 0.00 0.00 39.34 36.70 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 -0.34 0.76 0.33 7.72 2.96 0.67 -1.45 118.68 129.32 1mr9 s LEU 155 Ca -0.11 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1mr9 s LEU 155 Cb 0.01 -0.53 -0.07 0.00 0.50 0.00 0.00 46.19 46.11 1mr9 s LEU 155 CO 0.30 -0.20 -0.03 0.00 -1.32 0.00 0.00 176.35 175.11 1mr9 s ALA 156 N 1.91 2.67 0.00 5.97 0.00 -0.22 0.82 121.76 132.92 1mr9 s ALA 156 Ca 0.04 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.94 1mr9 s ALA 156 Cb -0.13 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1mr9 s ALA 156 CO -0.06 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1mr9 n GLY 157 N -0.74 1.86 0.00 0.00 0.00 -0.17 -0.96 105.19 105.18 1mr9 n GLY 157 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.45 1.56 2.88 -0.02 0.00 -1.26 -1.57 105.19 106.33 1mr9 n GLY 158 Ca 0.00 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 3.13 0.38 1.61 3.04 -1.26 0.31 114.94 122.14 1mr9 s ASN 159 Ca 0.00 -0.83 -0.26 0.00 0.04 0.00 0.00 52.86 51.80 1mr9 s ASN 159 Cb 0.00 -0.95 -0.09 0.00 -1.54 0.00 0.00 41.25 38.67 1mr9 s ASN 159 CO 0.00 -0.21 1.21 -2.16 -3.04 0.00 0.00 177.10 172.89 1mr9 s PRO 160 N 1.60 4.16 0.24 0.43 0.04 -1.26 -5.02 135.00 135.19 1mr9 s PRO 160 Ca -0.01 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 1mr9 s PRO 160 Cb -0.17 -2.82 -0.12 0.00 0.04 0.00 0.00 34.50 31.44 1mr9 s PRO 160 CO -0.07 -0.27 1.68 0.00 0.04 0.00 0.00 177.00 178.38 1mr9 n ALA 161 N 0.34 2.78 -2.53 8.56 0.00 0.15 -4.96 120.51 124.86 1mr9 n ALA 161 Ca 0.03 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 1mr9 n ALA 161 Cb 0.45 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 1mr9 n ALA 161 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mr9 s ASN 162 N 0.91 3.51 0.19 0.00 -0.87 -0.61 -4.71 114.94 113.36 1mr9 s ASN 162 Ca 0.71 -1.22 -0.29 0.00 -1.57 0.00 0.00 52.86 50.48 1mr9 s ASN 162 Cb -0.50 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.25 40.35 1mr9 s ASN 162 CO 0.39 -0.28 0.91 -1.61 -2.57 0.00 0.00 177.10 173.94 1mr9 s GLU 163 N -3.66 4.76 -0.02 -0.60 2.02 -1.26 -1.00 118.70 118.94 1mr9 s GLU 163 Ca 0.32 1.41 -0.04 0.00 0.02 0.00 0.00 54.97 56.68 1mr9 s GLU 163 Cb 0.04 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1mr9 s GLU 163 CO 0.16 0.44 -0.08 -0.89 0.02 0.00 0.00 175.26 174.90 1mr9 n ILE 164 N 1.90 0.58 -4.11 -1.63 5.41 0.24 -4.95 119.36 116.81 1mr9 n ILE 164 Ca -0.01 0.27 -0.12 0.00 1.00 0.00 0.00 62.75 63.89 1mr9 n ILE 164 Cb 0.48 -1.58 -0.07 0.00 -0.71 0.00 0.00 39.64 37.76 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 -1.63 1.47 -0.09 0.38 3.01 -1.18 -5.00 119.74 116.70 1mr9 s LYS 165 Ca -0.07 -1.53 -0.17 0.00 -1.01 0.00 0.00 55.97 53.19 1mr9 s LYS 165 Cb 0.01 0.37 -0.05 0.00 -1.01 0.00 0.00 37.83 37.16 1mr9 s LYS 165 CO 0.10 -0.56 0.46 -0.65 0.51 0.00 0.00 175.35 175.21 1mr9 s GLN 166 N -3.91 4.26 0.37 1.68 -0.21 -1.26 -0.24 119.66 120.35 1mr9 s GLN 166 Ca 0.32 0.44 0.10 0.00 0.02 0.00 0.00 55.36 56.23 1mr9 s GLN 166 Cb 0.03 -3.39 0.85 0.00 1.00 0.00 0.00 33.01 31.50 1mr9 s GLN 166 CO 0.13 0.28 1.90 0.00 -2.12 0.00 0.00 175.29 175.48 1mr9 h ARG 167 N 6.25 0.63 -4.46 2.91 3.08 -1.62 -3.44 114.38 117.72 1mr9 h ARG 167 Ca -0.43 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.39 1mr9 h ARG 167 Cb 1.19 -0.14 -0.15 0.00 0.08 0.00 0.00 29.97 30.95 1mr9 h ARG 167 CO 0.73 0.41 -0.65 -0.06 -1.07 0.00 0.00 179.97 179.33 1mr9 s PHE 168 N -5.62 0.88 1.27 3.04 0.08 -1.26 -5.12 117.98 111.25 1mr9 s PHE 168 Ca -0.09 -1.19 -0.20 0.00 0.12 0.00 0.00 56.93 55.57 1mr9 s PHE 168 Cb 0.21 -0.50 0.30 0.00 -0.57 0.00 0.00 43.02 42.46 1mr9 s PHE 168 CO 0.78 -0.46 0.69 -0.40 -0.10 0.00 0.00 175.22 175.73 1mr9 n ASP 169 N -0.10 -3.75 -0.00 1.36 5.75 -1.26 -4.83 116.55 113.72 1mr9 n ASP 169 Ca -0.06 -0.70 0.08 0.00 -0.01 0.00 0.00 54.79 54.10 1mr9 n ASP 169 Cb 0.63 -0.88 -0.11 0.00 -1.03 0.00 0.00 41.12 39.73 1mr9 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mr9 n GLN 170 N -4.08 1.20 -0.02 0.11 6.02 -1.26 -2.97 117.38 116.38 1mr9 n GLN 170 Ca 0.11 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.94 1mr9 n GLN 170 Cb 0.48 -1.31 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 1mr9 n GLN 170 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1mr9 h ASP 171 N 0.00 -0.18 0.89 1.08 3.45 -1.98 -2.46 116.42 117.22 1mr9 h ASP 171 Ca 0.00 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.47 1mr9 h ASP 171 Cb 0.54 0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.43 1mr9 h ASP 171 CO 0.00 -0.07 -0.43 0.74 -1.57 0.00 0.00 179.24 177.91 1mr9 h THR 172 N -0.02 0.10 -0.04 0.35 2.02 -1.94 0.20 112.91 113.58 1mr9 h THR 172 Ca 0.08 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1mr9 h THR 172 Cb 0.14 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1mr9 h THR 172 CO -0.17 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.81 1mr9 h ILE 173 N -1.22 0.00 -0.95 3.11 2.04 -1.60 4.23 117.51 123.13 1mr9 h ILE 173 Ca -0.12 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.97 1mr9 h ILE 173 Cb 0.92 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1mr9 h ILE 173 CO 0.20 0.00 0.64 0.78 0.00 0.00 0.00 178.15 179.77 1mr9 h ASN 174 N -0.36 0.32 0.04 1.72 4.21 -1.44 1.47 115.58 121.53 1mr9 h ASN 174 Ca 0.01 0.04 -0.15 0.00 1.21 0.00 0.00 56.30 57.41 1mr9 h ASN 174 Cb 0.40 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1mr9 h ASN 174 CO -0.23 0.11 -0.61 1.56 -1.29 0.00 0.00 177.43 176.97 1mr9 h GLN 175 N 0.31 0.35 0.00 0.81 7.50 0.11 -2.86 115.11 121.32 1mr9 h GLN 175 Ca 0.49 -0.42 -0.04 0.00 0.50 0.00 0.00 58.65 59.18 1mr9 h GLN 175 Cb 1.41 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 29.06 1mr9 h GLN 175 CO -0.16 1.12 -0.19 -0.07 -1.50 0.00 0.00 178.83 178.03 1mr9 h LEU 176 N -0.24 0.00 0.00 1.46 3.38 1.14 -0.03 115.31 121.02 1mr9 h LEU 176 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1mr9 h LEU 176 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1mr9 h LEU 176 CO 0.12 0.19 -0.03 -0.07 0.09 0.00 0.00 178.44 178.73 1mr9 h LEU 177 N 0.00 0.00 0.03 1.67 3.38 0.18 -3.23 115.31 117.33 1mr9 h LEU 177 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mr9 h LEU 177 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mr9 h LEU 177 CO 0.02 0.01 -0.01 -0.78 0.09 0.00 0.00 178.44 177.77 1mr9 h ASP 178 N 0.00 -0.03 -0.41 -0.43 1.82 -0.78 -3.40 116.42 113.19 1mr9 h ASP 178 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1mr9 h ASP 178 Cb 0.75 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1mr9 h ASP 178 CO 0.00 0.22 0.08 0.16 -1.61 0.00 0.00 179.24 178.09 1mr9 h ILE 179 N -0.52 1.22 -5.33 2.25 3.07 -1.52 -3.47 117.51 113.22 1mr9 h ILE 179 Ca -0.00 -0.83 -0.27 0.00 1.55 0.00 0.00 64.86 65.31 1mr9 h ILE 179 Cb 0.03 0.76 0.17 0.00 -0.27 0.00 0.00 36.82 37.51 1mr9 h ILE 179 CO 0.01 0.30 -0.76 0.29 -1.05 0.00 0.00 178.15 176.94 1mr9 n LYS 180 N -4.27 -4.07 0.11 0.16 4.76 -1.22 -4.88 118.16 108.76 1mr9 n LYS 180 Ca 0.03 0.80 0.20 0.00 -2.87 0.00 0.00 58.31 56.47 1mr9 n LYS 180 Cb 0.24 -5.58 0.76 0.00 -1.84 0.00 0.00 35.03 28.61 1mr9 n LYS 180 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 1mr9 h TRP 181 N -1.37 0.00 0.00 2.13 5.08 -1.91 0.10 115.95 119.98 1mr9 h TRP 181 Ca -0.56 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.37 1mr9 h TRP 181 Cb 1.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.46 1mr9 h TRP 181 CO 0.34 0.00 -0.19 0.11 -1.28 0.00 0.00 178.44 177.43 1mr9 h TRP 182 N 0.00 0.00 0.00 0.12 0.09 -1.97 -2.44 115.95 111.75 1mr9 h TRP 182 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.16 1mr9 h TRP 182 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.23 1mr9 h TRP 182 CO 0.00 0.19 0.00 -0.91 0.09 0.00 0.00 178.44 177.81 1mr9 h ASN 183 N 0.00 0.00 -4.13 0.11 2.35 -1.32 -3.46 115.58 109.13 1mr9 h ASN 183 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1mr9 h ASN 183 Cb 0.54 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.03 1mr9 h ASN 183 CO 0.02 0.00 0.45 0.26 -1.65 0.00 0.00 177.43 176.51 1mr9 s TRP 184 N -3.17 2.29 0.33 1.19 0.51 -0.92 -4.96 118.94 114.21 1mr9 s TRP 184 Ca 0.09 1.53 -0.29 0.00 -2.12 0.00 0.00 56.10 55.31 1mr9 s TRP 184 Cb 0.11 -3.48 -0.12 0.00 -0.81 0.00 0.00 33.47 29.17 1mr9 s TRP 184 CO 0.57 -2.34 1.51 -2.30 -0.51 0.00 0.00 176.95 173.88 1mr9 n PRO 185 N -1.95 2.59 0.25 4.98 -0.02 -1.26 -4.74 135.00 134.84 1mr9 n PRO 185 Ca 0.14 0.91 0.09 0.00 -2.02 0.00 0.00 63.50 62.62 1mr9 n PRO 185 Cb 0.50 -2.65 0.65 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.08 0.86 0.00 4.25 6.09 -1.95 0.42 117.51 130.26 1mr9 h ILE 186 Ca -0.48 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1mr9 h ILE 186 Cb 1.24 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.78 1mr9 h ILE 186 CO 0.71 0.11 0.00 -0.90 -3.07 0.00 0.00 178.15 175.00 1mr9 n ASP 187 N -4.07 0.00 -0.03 2.19 5.68 -1.26 0.05 116.55 119.10 1mr9 n ASP 187 Ca -0.02 -1.03 -0.04 0.00 -0.50 0.00 0.00 54.79 53.19 1mr9 n ASP 187 Cb 0.20 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 1mr9 n ASP 187 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1mr9 n ILE 188 N -0.92 0.45 -0.25 2.12 5.41 0.13 -4.49 119.36 121.82 1mr9 n ILE 188 Ca 0.18 -0.25 -0.06 0.00 1.00 0.00 0.00 62.75 63.62 1mr9 n ILE 188 Cb 0.08 -0.82 0.05 0.00 -0.71 0.00 0.00 39.64 38.24 1mr9 n ILE 188 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1mr9 h ILE 189 N 0.00 1.22 -0.84 1.39 2.04 -0.76 -3.16 117.51 117.39 1mr9 h ILE 189 Ca -0.18 -0.60 0.21 0.00 1.00 0.00 0.00 64.86 65.30 1mr9 h ILE 189 Cb 1.37 0.37 -0.14 0.00 -0.74 0.00 0.00 36.82 37.68 1mr9 h ILE 189 CO 0.00 0.25 0.17 0.78 0.00 0.00 0.00 178.15 179.35 1mr9 h ASN 190 N 0.94 -0.10 -0.01 1.72 2.35 -0.61 0.58 115.58 120.44 1mr9 h ASN 190 Ca 0.24 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1mr9 h ASN 190 Cb 0.09 0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1mr9 h ASN 190 CO -0.03 -0.16 0.00 -0.62 -1.65 0.00 0.00 177.43 174.97 1mr9 n GLU 191 N -5.26 1.10 0.00 0.81 -0.58 -1.20 -3.45 120.64 112.06 1mr9 n GLU 191 Ca 0.19 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1mr9 n GLU 191 Cb 0.61 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1mr9 n GLU 191 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mr9 n ASN 192 N 0.00 0.00 0.01 1.62 3.02 0.15 -4.94 115.26 115.12 1mr9 n ASN 192 Ca 0.01 -1.00 -0.08 0.00 -0.03 0.00 0.00 54.58 53.47 1mr9 n ASN 192 Cb 0.27 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.65 0.00 -1.00 2.41 2.04 -1.46 0.55 117.51 121.70 1mr9 h ILE 193 Ca 0.00 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.12 1mr9 h ILE 193 Cb 0.66 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 1mr9 h ILE 193 CO 0.00 0.00 0.59 0.44 0.00 0.00 0.00 178.15 179.18 1mr9 h ASP 194 N -0.34 0.65 1.65 1.72 3.32 -1.91 0.99 116.42 122.50 1mr9 h ASP 194 Ca 0.01 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1mr9 h ASP 194 Cb 0.38 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1mr9 h ASP 194 CO -0.21 0.06 0.00 0.11 -1.72 0.00 0.00 179.24 177.48 1mr9 h LYS 195 N 0.53 0.00 0.00 3.56 6.56 -1.78 -2.52 116.57 122.92 1mr9 h LYS 195 Ca 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.25 1mr9 h LYS 195 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1mr9 h LYS 195 CO -0.50 0.00 -0.19 0.82 -2.06 0.00 0.00 179.45 177.52 1mr9 h ILE 196 N 0.00 0.00 0.00 1.86 2.04 0.32 -1.96 117.51 119.78 1mr9 h ILE 196 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1mr9 h ILE 196 Cb 0.82 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1mr9 h ILE 196 CO 0.00 0.00 -0.84 0.18 0.00 0.00 0.00 178.15 177.49 1mr9 n LEU 197 N -2.45 0.65 -0.08 1.44 4.77 -0.38 -3.92 117.00 117.05 1mr9 n LEU 197 Ca 0.04 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1mr9 n LEU 197 Cb 0.46 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1mr9 n LEU 197 CO 0.33 0.11 0.49 -0.90 -1.33 0.00 0.00 177.39 176.09 1mr9 n ASP 198 N -1.72 1.85 0.00 -1.43 5.68 -1.12 -5.01 116.55 114.79 1mr9 n ASP 198 Ca 0.04 -2.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1mr9 n ASP 198 Cb 0.38 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1mr9 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1mr9 n ASN 199 N -0.87 -2.92 0.04 -1.12 4.13 -0.85 -4.71 115.26 108.96 1mr9 n ASN 199 Ca 0.08 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.47 1mr9 n ASN 199 Cb 0.49 -2.69 0.52 0.00 -1.54 0.00 0.00 39.78 36.56 1mr9 n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1mr9 n SER 200 N -0.46 0.32 -0.49 6.41 3.41 -1.12 -3.60 113.62 118.10 1mr9 n SER 200 Ca 0.00 0.48 0.42 0.00 -0.26 0.00 0.00 58.87 59.51 1mr9 n SER 200 Cb 0.23 -0.55 0.75 0.00 -0.26 0.00 0.00 64.21 64.38 1mr9 n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1mr9 h ILE 201 N 0.00 0.22 -0.05 -1.33 2.10 -1.66 -0.79 117.51 116.00 1mr9 h ILE 201 Ca 0.00 -0.01 0.02 0.00 1.08 0.00 0.00 64.86 65.94 1mr9 h ILE 201 Cb 0.59 0.18 -0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1mr9 h ILE 201 CO 0.00 0.01 0.19 0.16 -1.08 0.00 0.00 178.15 177.43 1mr9 h ILE 202 N 0.03 0.12 -0.02 2.19 3.07 -1.87 -3.51 117.51 117.53 1mr9 h ILE 202 Ca 0.75 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.16 1mr9 h ILE 202 Cb 2.85 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1mr9 h ILE 202 CO -0.08 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.56