#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm2 n GLU 2 N 0.00 0.16 -0.61 2.12 0.00 -1.26 -1.99 120.64 119.07 1dm2 n GLU 2 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 1dm2 n GLU 2 Cb 0.00 -1.44 0.30 0.00 0.00 0.00 0.00 31.44 30.30 1dm2 n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1dm2 n ASN 3 N -0.94 4.32 -4.07 -1.84 4.13 -1.26 -4.92 115.26 110.69 1dm2 n ASN 3 Ca 0.03 -2.56 -0.16 0.00 1.68 0.00 0.00 54.58 53.57 1dm2 n ASN 3 Cb 0.02 -0.59 -0.13 0.00 -1.54 0.00 0.00 39.78 37.54 1dm2 n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1dm2 s PHE 4 N -2.11 0.84 -0.25 3.10 0.08 -0.84 -0.04 117.98 118.76 1dm2 s PHE 4 Ca 0.42 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1dm2 s PHE 4 Cb 0.30 -0.50 0.04 0.00 -0.57 0.00 0.00 43.02 42.29 1dm2 s PHE 4 CO 0.16 -0.02 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.02 1dm2 s GLN 5 N -1.11 2.54 0.09 0.44 2.00 -0.71 -4.85 119.66 118.06 1dm2 s GLN 5 Ca -0.03 -1.16 -0.31 0.00 -2.00 0.00 0.00 55.36 51.86 1dm2 s GLN 5 Cb -0.07 -2.92 -0.08 0.00 0.80 0.00 0.00 33.01 30.73 1dm2 s GLN 5 CO 0.01 -0.48 1.60 0.15 -0.50 0.00 0.00 175.29 176.07 1dm2 s LYS 6 N 1.21 4.21 -0.20 1.67 1.02 -1.26 -0.97 119.74 125.43 1dm2 s LYS 6 Ca -0.04 2.30 -0.05 0.00 0.02 0.00 0.00 55.97 58.20 1dm2 s LYS 6 Cb -0.18 -3.47 -0.21 0.00 -0.52 0.00 0.00 37.83 33.45 1dm2 s LYS 6 CO -0.05 -0.68 0.05 0.28 -0.92 0.00 0.00 175.35 174.03 1dm2 n VAL 7 N 4.49 1.62 0.00 3.17 0.31 0.58 -4.93 118.33 123.58 1dm2 n VAL 7 Ca 0.15 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1dm2 n VAL 7 Cb 0.40 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1dm2 n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1dm2 n GLU 8 N -3.54 0.00 -2.54 5.55 0.28 -1.17 -4.97 120.64 114.24 1dm2 n GLU 8 Ca -0.40 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.17 1dm2 n GLU 8 Cb 0.98 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.83 1dm2 n GLU 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1dm2 s LYS 9 N -2.00 3.72 -0.44 3.44 2.20 -1.26 -0.78 119.74 124.61 1dm2 s LYS 9 Ca 0.00 0.69 0.04 0.00 -0.36 0.00 0.00 55.97 56.34 1dm2 s LYS 9 Cb 0.00 -3.92 0.67 0.00 -1.51 0.00 0.00 37.83 33.07 1dm2 s LYS 9 CO 0.00 -1.39 1.91 0.44 -0.36 0.00 0.00 175.35 175.95 1dm2 n ILE 10 N 6.83 3.18 0.00 5.43 -5.35 -0.74 -4.95 119.36 123.76 1dm2 n ILE 10 Ca 0.13 -1.89 0.00 0.00 -0.27 0.00 0.00 62.75 60.72 1dm2 n ILE 10 Cb 0.49 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1dm2 n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dm2 n GLY 11 N -1.08 1.47 2.77 3.28 0.00 -1.20 -4.94 105.19 105.48 1dm2 n GLY 11 Ca 0.59 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1dm2 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dm2 s GLU 12 N -1.28 0.84 1.13 1.61 -1.05 -1.26 -1.77 118.70 116.92 1dm2 s GLU 12 Ca 0.00 -0.91 -0.13 0.00 -0.15 0.00 0.00 54.97 53.77 1dm2 s GLU 12 Cb 0.00 -2.13 0.26 0.00 -0.44 0.00 0.00 34.13 31.82 1dm2 s GLU 12 CO 0.00 -0.84 1.05 0.20 0.95 0.00 0.00 175.26 176.61 1dm2 s GLY 13 N 1.63 1.54 0.19 -3.83 0.00 0.11 -4.93 107.32 102.03 1dm2 s GLY 13 Ca 0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.37 1dm2 s GLY 13 CO -0.18 0.41 1.70 -0.84 0.00 0.00 0.00 173.10 174.19 1dm2 h THR 14 N -2.45 1.26 -0.26 0.90 2.02 -2.00 -3.09 112.91 109.29 1dm2 h THR 14 Ca -0.59 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1dm2 h THR 14 Cb 1.34 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1dm2 h THR 14 CO 0.52 0.36 0.00 -1.22 0.37 0.00 0.00 175.52 175.55 1dm2 n TYR 15 N -4.28 0.33 0.00 3.16 4.01 -1.26 -5.02 117.16 114.09 1dm2 n TYR 15 Ca 0.04 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1dm2 n TYR 15 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1dm2 n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dm2 n GLY 16 N 1.34 -0.13 3.83 2.72 0.00 -1.17 -4.64 105.19 107.13 1dm2 n GLY 16 Ca 0.18 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1dm2 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm2 s VAL 17 N -2.00 4.68 -0.13 1.61 0.11 -1.18 0.08 120.40 123.57 1dm2 s VAL 17 Ca 0.00 1.10 0.01 0.00 -2.93 0.00 0.00 61.98 60.16 1dm2 s VAL 17 Cb 0.00 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 31.03 1dm2 s VAL 17 CO 0.00 0.22 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.15 1dm2 s VAL 18 N -1.50 2.89 0.19 2.04 1.01 -0.73 -0.44 120.40 123.86 1dm2 s VAL 18 Ca 0.41 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1dm2 s VAL 18 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1dm2 s VAL 18 CO 0.20 0.53 -0.20 -0.31 0.00 0.00 0.00 175.10 175.32 1dm2 s TYR 19 N 0.35 2.00 -0.14 5.22 1.51 0.67 -1.79 117.35 125.16 1dm2 s TYR 19 Ca -0.12 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.35 1dm2 s TYR 19 Cb -0.16 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1dm2 s TYR 19 CO 0.06 0.43 0.38 0.21 -1.11 0.00 0.00 175.55 175.52 1dm2 s LYS 20 N -2.95 4.29 0.13 -0.62 2.20 0.04 0.10 119.74 122.93 1dm2 s LYS 20 Ca 0.20 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.10 1dm2 s LYS 20 Cb -0.06 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1dm2 s LYS 20 CO 0.09 0.19 -0.10 0.00 -0.36 0.00 0.00 175.35 175.17 1dm2 s ALA 21 N 0.59 1.33 -0.23 3.13 0.00 -0.42 0.21 121.76 126.37 1dm2 s ALA 21 Ca 0.21 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 1dm2 s ALA 21 Cb -0.14 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1dm2 s ALA 21 CO 0.07 -0.11 -0.05 1.03 0.00 0.00 0.00 175.76 176.70 1dm2 s ARG 22 N -3.62 3.17 -0.29 0.00 0.52 -0.15 -1.37 118.95 117.21 1dm2 s ARG 22 Ca 0.14 -0.76 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 1dm2 s ARG 22 Cb 0.02 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 1dm2 s ARG 22 CO -0.00 -0.28 2.26 1.21 0.02 0.00 0.00 175.30 178.51 1dm2 s ASN 23 N 1.42 5.19 0.42 0.23 3.84 0.81 -1.74 114.94 125.11 1dm2 s ASN 23 Ca 0.04 1.67 0.24 0.00 0.21 0.00 0.00 52.86 55.01 1dm2 s ASN 23 Cb -0.15 -2.51 1.26 0.00 -0.55 0.00 0.00 41.25 39.30 1dm2 s ASN 23 CO -0.04 -2.20 1.70 0.11 -2.79 0.00 0.00 177.10 173.88 1dm2 h LYS 24 N 16.21 0.23 0.00 0.43 1.57 -0.79 0.31 116.57 134.53 1dm2 h LYS 24 Ca -0.37 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1dm2 h LYS 24 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1dm2 h LYS 24 CO 1.01 0.15 0.00 -0.11 -0.57 0.00 0.00 179.45 179.94 1dm2 n LEU 25 N -4.67 1.78 0.00 2.94 0.00 -1.26 -4.43 117.00 111.35 1dm2 n LEU 25 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.32 1dm2 n LEU 25 Cb 1.14 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.58 1dm2 n LEU 25 CO 0.23 0.00 0.33 0.35 0.00 0.00 0.00 177.39 178.30 1dm2 n THR 26 N -0.51 0.52 -0.48 1.96 -2.24 -1.23 -4.83 114.28 107.47 1dm2 n THR 26 Ca 0.00 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1dm2 n THR 26 Cb 0.00 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1dm2 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm2 n GLY 27 N -1.09 0.11 3.76 3.38 0.00 0.11 -4.95 105.19 106.52 1dm2 n GLY 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1dm2 n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dm2 s GLU 28 N -0.80 3.40 -0.21 1.61 -1.05 -1.26 -4.53 118.70 115.86 1dm2 s GLU 28 Ca 0.00 1.84 -0.14 0.00 -0.15 0.00 0.00 54.97 56.52 1dm2 s GLU 28 Cb 0.00 -2.20 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 1dm2 s GLU 28 CO 0.00 -0.87 0.32 0.08 0.95 0.00 0.00 175.26 175.74 1dm2 s VAL 29 N -1.55 5.25 0.29 1.83 1.01 -1.26 -0.13 120.40 125.84 1dm2 s VAL 29 Ca 0.70 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1dm2 s VAL 29 Cb -0.30 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1dm2 s VAL 29 CO 0.35 0.29 0.17 1.33 0.00 0.00 0.00 175.10 177.24 1dm2 n VAL 30 N 4.28 0.00 -4.70 2.92 0.24 -0.47 -4.23 118.33 116.36 1dm2 n VAL 30 Ca -0.11 -1.89 -0.32 0.00 -2.04 0.00 0.00 64.34 59.98 1dm2 n VAL 30 Cb 0.51 0.82 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 1dm2 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dm2 s ALA 31 N -2.97 2.26 -0.12 2.33 0.00 -0.14 -1.30 121.76 121.81 1dm2 s ALA 31 Ca 0.24 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1dm2 s ALA 31 Cb 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1dm2 s ALA 31 CO 0.17 -0.01 -0.05 -1.17 0.00 0.00 0.00 175.76 174.71 1dm2 s LEU 32 N 0.78 3.24 -0.22 0.00 2.96 0.11 0.41 118.68 125.97 1dm2 s LEU 32 Ca -0.08 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1dm2 s LEU 32 Cb -0.16 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1dm2 s LEU 32 CO -0.01 0.24 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.41 1dm2 s LYS 33 N -0.07 2.97 -0.59 1.98 2.20 0.52 -0.24 119.74 126.52 1dm2 s LYS 33 Ca 0.01 -0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 54.50 1dm2 s LYS 33 Cb -0.13 -2.86 0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1dm2 s LYS 33 CO 0.03 -0.30 1.01 0.21 -0.36 0.00 0.00 175.35 175.93 1dm2 s LYS 34 N 1.34 3.32 0.00 4.03 2.20 0.42 -1.30 119.74 129.74 1dm2 s LYS 34 Ca 0.02 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1dm2 s LYS 34 Cb -0.15 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1dm2 s LYS 34 CO -0.07 -1.62 0.00 -0.89 -0.36 0.00 0.00 175.35 172.41 1dm2 n ILE 35 N 6.25 0.00 -1.52 5.43 2.08 0.39 -3.13 119.36 128.86 1dm2 n ILE 35 Ca 0.02 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.38 1dm2 n ILE 35 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.34 1dm2 n ILE 35 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1dm2 n PRO 45 N 0.00 -3.85 0.07 0.38 -0.02 -1.26 -4.73 135.00 125.59 1dm2 n PRO 45 Ca 0.00 3.03 0.05 0.00 -2.02 0.00 0.00 63.50 64.56 1dm2 n PRO 45 Cb 0.00 -3.93 -0.04 0.00 -0.02 0.00 0.00 33.50 29.50 1dm2 n PRO 45 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dm2 h SER 46 N -0.31 0.00 -0.32 2.55 0.87 -2.06 -3.31 113.55 110.98 1dm2 h SER 46 Ca -0.06 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1dm2 h SER 46 Cb 1.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1dm2 h SER 46 CO 0.02 0.35 -0.46 0.00 -0.53 0.00 0.00 176.83 176.21 1dm2 h THR 47 N 0.00 1.27 0.00 2.23 1.03 -2.05 -2.82 112.91 112.58 1dm2 h THR 47 Ca -0.09 -1.64 0.00 0.00 -0.01 0.00 0.00 66.41 64.67 1dm2 h THR 47 Cb 1.35 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.92 1dm2 h THR 47 CO 0.03 0.54 0.00 0.00 -0.01 0.00 0.00 175.52 176.08 1dm2 n ALA 48 N -2.55 2.07 0.09 0.00 0.00 -1.26 -0.84 120.51 118.02 1dm2 n ALA 48 Ca -0.03 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1dm2 n ALA 48 Cb 0.58 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 1dm2 n ALA 48 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1dm2 h ILE 49 N 0.00 1.52 0.07 0.00 -0.00 -1.59 -0.65 117.51 116.86 1dm2 h ILE 49 Ca 0.00 -2.90 -0.00 0.00 -0.00 0.00 0.00 64.86 61.95 1dm2 h ILE 49 Cb 0.60 2.71 0.00 0.00 -0.00 0.00 0.00 36.82 40.13 1dm2 h ILE 49 CO 0.00 0.85 -0.04 0.03 -0.00 0.00 0.00 178.15 178.99 1dm2 h ARG 50 N 0.09 -0.10 -0.77 2.19 3.08 -1.35 -3.09 114.38 114.43 1dm2 h ARG 50 Ca -0.08 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.09 1dm2 h ARG 50 Cb 1.74 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.70 1dm2 h ARG 50 CO 0.17 0.44 -0.33 -1.91 -1.07 0.00 0.00 179.97 177.27 1dm2 n GLU 51 N -4.80 -0.21 0.01 0.04 4.07 -0.02 0.70 120.64 120.44 1dm2 n GLU 51 Ca -0.07 1.18 0.14 0.00 -0.06 0.00 0.00 57.16 58.35 1dm2 n GLU 51 Cb 0.28 -1.75 0.58 0.00 -0.06 0.00 0.00 31.44 30.50 1dm2 n GLU 51 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1dm2 n ILE 52 N -5.10 0.05 0.51 6.31 -5.35 -0.26 -2.74 119.36 112.78 1dm2 n ILE 52 Ca 0.07 -0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 1dm2 n ILE 52 Cb 0.29 -0.46 0.24 0.00 -1.74 0.00 0.00 39.64 37.97 1dm2 n ILE 52 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1dm2 h SER 53 N 0.00 0.00 1.60 7.28 0.02 0.36 -2.88 113.55 119.94 1dm2 h SER 53 Ca 0.00 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1dm2 h SER 53 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1dm2 h SER 53 CO 0.00 0.05 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.31 1dm2 h LEU 54 N 0.00 0.00 -0.43 5.07 -0.00 -1.15 -3.16 115.31 115.63 1dm2 h LEU 54 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 1dm2 h LEU 54 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 1dm2 h LEU 54 CO 0.00 0.36 -0.72 -0.07 -0.00 0.00 0.00 178.44 178.01 1dm2 h LEU 55 N 0.00 0.43 -1.83 1.67 3.38 -1.57 -3.10 115.31 114.29 1dm2 h LEU 55 Ca -0.00 -0.28 0.18 0.00 0.09 0.00 0.00 57.88 57.87 1dm2 h LEU 55 Cb 1.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1dm2 h LEU 55 CO 0.05 1.01 0.50 0.11 0.09 0.00 0.00 178.44 180.20 1dm2 h LYS 56 N 0.25 0.15 0.00 1.13 1.79 -1.52 0.26 116.57 118.63 1dm2 h LYS 56 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1dm2 h LYS 56 Cb 1.29 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1dm2 h LYS 56 CO 0.12 0.10 -0.47 0.39 -1.08 0.00 0.00 179.45 178.52 1dm2 n GLU 57 N -4.40 0.26 -2.62 3.15 -0.58 -1.17 -4.58 120.64 110.70 1dm2 n GLU 57 Ca 0.14 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.56 1dm2 n GLU 57 Cb 0.68 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1dm2 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1dm2 s LEU 58 N -4.19 3.95 -0.10 -4.62 2.96 0.93 -4.95 118.68 112.65 1dm2 s LEU 58 Ca 0.08 -2.48 -0.01 0.00 -0.22 0.00 0.00 54.13 51.50 1dm2 s LEU 58 Cb 0.13 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1dm2 s LEU 58 CO 0.69 -1.14 -0.06 0.20 -1.32 0.00 0.00 176.35 174.72 1dm2 s ASN 59 N 4.11 4.69 -0.04 3.68 -0.87 -1.26 -4.93 114.94 120.31 1dm2 s ASN 59 Ca 0.53 -0.06 -0.30 0.00 -1.57 0.00 0.00 52.86 51.46 1dm2 s ASN 59 Cb 0.03 -1.41 0.07 0.00 -0.02 0.00 0.00 41.25 39.92 1dm2 s ASN 59 CO 0.07 0.29 0.65 -2.28 -2.57 0.00 0.00 177.10 173.26 1dm2 s HIS 60 N -0.38 -0.62 0.59 2.20 2.46 -1.26 -5.03 115.29 113.24 1dm2 s HIS 60 Ca 0.06 1.05 0.28 0.00 0.47 0.00 0.00 55.06 56.92 1dm2 s HIS 60 Cb -0.12 0.39 1.55 0.00 -0.13 0.00 0.00 32.58 34.27 1dm2 s HIS 60 CO 0.02 -0.60 1.99 -1.35 -2.47 0.00 0.00 174.74 172.33 1dm2 h PRO 61 N 3.03 0.00 -0.51 2.88 0.11 -1.99 -1.75 132.00 133.77 1dm2 h PRO 61 Ca -0.27 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 1dm2 h PRO 61 Cb 1.15 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1dm2 h PRO 61 CO 0.39 0.00 0.11 0.09 -0.21 0.00 0.00 178.00 178.38 1dm2 n ASN 62 N -3.78 4.16 -3.99 -2.05 4.13 -1.26 -4.86 115.26 107.60 1dm2 n ASN 62 Ca 0.05 -3.25 -0.26 0.00 1.68 0.00 0.00 54.58 52.81 1dm2 n ASN 62 Cb 0.51 -0.66 -0.17 0.00 -1.54 0.00 0.00 39.78 37.93 1dm2 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1dm2 s ILE 63 N -2.98 1.12 0.06 2.41 1.01 -0.66 -1.29 121.20 120.87 1dm2 s ILE 63 Ca 0.49 -0.42 -0.33 0.00 0.00 0.00 0.00 60.65 60.38 1dm2 s ILE 63 Cb 0.40 -1.06 -0.12 0.00 0.01 0.00 0.00 42.46 41.69 1dm2 s ILE 63 CO 0.10 0.36 1.74 0.52 0.00 0.00 0.00 174.94 177.66 1dm2 n VAL 64 N 4.22 0.29 -2.04 2.92 0.31 -0.64 -4.51 118.33 118.88 1dm2 n VAL 64 Ca -0.19 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 1dm2 n VAL 64 Cb 0.51 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1dm2 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1dm2 s LYS 65 N 2.47 4.25 -0.76 5.55 2.20 -1.26 -4.90 119.74 127.28 1dm2 s LYS 65 Ca 0.85 2.21 -0.19 0.00 -0.36 0.00 0.00 55.97 58.48 1dm2 s LYS 65 Cb -0.65 -3.39 0.12 0.00 -1.51 0.00 0.00 37.83 32.40 1dm2 s LYS 65 CO 0.43 -0.60 0.93 -1.17 -0.36 0.00 0.00 175.35 174.58 1dm2 s LEU 66 N 1.82 5.22 0.07 5.43 2.96 -1.26 -1.51 118.68 131.41 1dm2 s LEU 66 Ca 0.69 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.65 1dm2 s LEU 66 Cb -0.39 -2.35 -0.14 0.00 0.50 0.00 0.00 46.19 43.82 1dm2 s LEU 66 CO 0.30 -1.10 1.60 -0.07 -1.32 0.00 0.00 176.35 175.76 1dm2 h LEU 67 N 10.17 0.11 -7.97 -0.68 3.38 -1.30 -3.46 115.31 115.57 1dm2 h LEU 67 Ca -0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1dm2 h LEU 67 Cb 1.05 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1dm2 h LEU 67 CO 1.08 0.25 -0.02 -1.81 0.09 0.00 0.00 178.44 178.03 1dm2 s ASP 68 N -5.47 -0.17 -0.07 -0.43 1.01 -1.00 -5.02 116.67 105.52 1dm2 s ASP 68 Ca -0.14 -0.70 0.02 0.00 0.71 0.00 0.00 52.55 52.44 1dm2 s ASP 68 Cb 0.06 0.59 0.02 0.00 1.01 0.00 0.00 42.92 44.60 1dm2 s ASP 68 CO 0.68 -1.12 -0.10 -0.69 0.21 0.00 0.00 175.17 174.16 1dm2 s VAL 69 N -3.94 0.97 -0.39 -1.27 1.01 -1.26 -1.19 120.40 114.33 1dm2 s VAL 69 Ca 0.15 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1dm2 s VAL 69 Cb -0.01 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.56 1dm2 s VAL 69 CO 0.03 0.33 0.15 -0.63 0.00 0.00 0.00 175.10 174.98 1dm2 s ILE 70 N 0.89 1.69 -0.25 2.22 1.01 -0.28 -5.02 121.20 121.46 1dm2 s ILE 70 Ca -0.11 -2.29 -0.25 0.00 0.00 0.00 0.00 60.65 58.01 1dm2 s ILE 70 Cb -0.15 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1dm2 s ILE 70 CO 0.01 -0.73 0.84 -2.28 0.00 0.00 0.00 174.94 172.78 1dm2 s HIS 71 N 0.77 3.30 -0.11 3.97 2.46 -1.26 -2.07 115.29 122.35 1dm2 s HIS 71 Ca 0.13 1.14 -0.08 0.00 0.47 0.00 0.00 55.06 56.72 1dm2 s HIS 71 Cb -0.21 -3.08 0.04 0.00 -0.13 0.00 0.00 32.58 29.20 1dm2 s HIS 71 CO -0.09 -0.42 0.28 0.99 -2.47 0.00 0.00 174.74 173.03 1dm2 s THR 72 N 2.88 -0.02 -0.29 0.89 2.01 -0.09 -5.00 115.64 116.01 1dm2 s THR 72 Ca 0.35 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 1dm2 s THR 72 Cb -0.15 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1dm2 s THR 72 CO 0.08 0.03 0.19 -1.84 -0.69 0.00 0.00 174.62 172.38 1dm2 n GLU 73 N 3.65 -0.61 -0.74 4.92 0.00 -1.26 0.79 120.64 127.40 1dm2 n GLU 73 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 56.93 1dm2 n GLU 73 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 31.44 31.61 1dm2 n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1dm2 n ASN 74 N -0.23 -1.10 -4.30 -1.84 3.02 -1.26 -4.96 115.26 104.59 1dm2 n ASN 74 Ca -0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 1dm2 n ASN 74 Cb 0.19 -1.83 -0.15 0.00 -0.61 0.00 0.00 39.78 37.38 1dm2 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1dm2 s LYS 75 N -0.80 3.27 -0.18 3.52 -0.14 0.24 -5.07 119.74 120.57 1dm2 s LYS 75 Ca 0.00 -0.74 -0.07 0.00 -1.36 0.00 0.00 55.97 53.80 1dm2 s LYS 75 Cb 0.00 -2.60 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 1dm2 s LYS 75 CO 0.00 0.10 0.05 -1.17 -0.76 0.00 0.00 175.35 173.58 1dm2 s LEU 76 N 0.60 3.76 -0.12 3.17 2.96 -1.26 -0.91 118.68 126.88 1dm2 s LEU 76 Ca -0.09 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1dm2 s LEU 76 Cb -0.16 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1dm2 s LEU 76 CO 0.03 0.18 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.72 1dm2 s TYR 77 N 0.32 2.50 -0.22 5.38 2.02 -0.88 0.15 117.35 126.62 1dm2 s TYR 77 Ca 0.02 -1.16 -0.05 0.00 -0.37 0.00 0.00 57.07 55.51 1dm2 s TYR 77 Cb -0.12 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1dm2 s TYR 77 CO 0.00 -0.52 0.01 -0.51 -1.57 0.00 0.00 175.55 172.97 1dm2 s LEU 78 N 0.67 3.25 -0.26 -1.29 1.43 -0.42 -1.13 118.68 120.93 1dm2 s LEU 78 Ca -0.11 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1dm2 s LEU 78 Cb -0.16 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1dm2 s LEU 78 CO 0.02 0.02 0.23 -0.69 0.23 0.00 0.00 176.35 176.17 1dm2 s VAL 79 N 1.24 5.29 0.31 -1.59 1.01 -0.34 -0.35 120.40 125.97 1dm2 s VAL 79 Ca 0.04 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1dm2 s VAL 79 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1dm2 s VAL 79 CO 0.01 0.26 -0.12 -0.36 0.00 0.00 0.00 175.10 174.90 1dm2 s PHE 80 N 1.57 2.28 0.43 5.22 0.08 0.17 -0.82 117.98 126.92 1dm2 s PHE 80 Ca 0.10 -0.49 -0.24 0.00 0.12 0.00 0.00 56.93 56.42 1dm2 s PHE 80 Cb -0.15 -1.23 -0.08 0.00 -0.57 0.00 0.00 43.02 40.99 1dm2 s PHE 80 CO 0.09 0.56 1.14 -1.83 -0.10 0.00 0.00 175.22 175.08 1dm2 s GLU 81 N -3.61 3.94 -0.17 0.44 -1.05 -0.57 -0.97 118.70 116.71 1dm2 s GLU 81 Ca 0.31 1.73 -0.16 0.00 -0.15 0.00 0.00 54.97 56.70 1dm2 s GLU 81 Cb 0.01 -2.51 -0.04 0.00 -0.44 0.00 0.00 34.13 31.14 1dm2 s GLU 81 CO 0.15 -0.39 0.40 0.12 0.95 0.00 0.00 175.26 176.49 1dm2 s PHE 82 N -1.54 3.43 -0.07 4.83 5.36 -1.26 -4.49 117.98 124.24 1dm2 s PHE 82 Ca 0.60 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 57.32 1dm2 s PHE 82 Cb -0.28 -2.50 -0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1dm2 s PHE 82 CO 0.34 0.09 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.45 1dm2 s LEU 83 N 0.96 2.02 0.01 6.12 2.01 -1.26 -5.03 118.68 123.51 1dm2 s LEU 83 Ca 0.21 -0.49 -0.25 0.00 0.01 0.00 0.00 54.13 53.61 1dm2 s LEU 83 Cb -0.14 -1.29 -0.17 0.00 0.01 0.00 0.00 46.19 44.60 1dm2 s LEU 83 CO 0.08 0.19 1.27 0.45 1.01 0.00 0.00 176.35 179.35 1dm2 h HIS 84 N 6.37 -0.29 -3.12 0.29 3.86 -1.98 -3.47 115.15 116.81 1dm2 h HIS 84 Ca -0.28 -0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.30 1dm2 h HIS 84 Cb 1.20 0.10 -0.12 0.00 1.06 0.00 0.00 27.41 29.65 1dm2 h HIS 84 CO 0.45 0.04 -0.67 -1.14 0.86 0.00 0.00 177.93 177.47 1dm2 s GLN 85 N -4.68 2.43 0.29 2.45 0.74 -1.25 -5.04 119.66 114.60 1dm2 s GLN 85 Ca -0.14 -1.00 0.09 0.00 0.05 0.00 0.00 55.36 54.35 1dm2 s GLN 85 Cb 0.02 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 1dm2 s GLN 85 CO 0.57 0.49 0.10 0.16 -0.55 0.00 0.00 175.29 176.06 1dm2 s ASP 86 N -2.64 4.81 0.41 6.67 1.47 -1.26 -0.68 116.67 125.46 1dm2 s ASP 86 Ca 0.26 -0.61 0.10 0.00 1.18 0.00 0.00 52.55 53.48 1dm2 s ASP 86 Cb -0.10 -0.92 0.88 0.00 -0.34 0.00 0.00 42.92 42.44 1dm2 s ASP 86 CO 0.18 -0.13 1.99 0.25 0.68 0.00 0.00 175.17 178.14 1dm2 h LEU 87 N 1.66 0.26 -0.38 2.11 5.85 -0.10 -2.70 115.31 122.02 1dm2 h LEU 87 Ca -0.45 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1dm2 h LEU 87 Cb 1.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1dm2 h LEU 87 CO 0.61 0.31 0.19 0.50 -0.34 0.00 0.00 178.44 179.71 1dm2 h LYS 88 N 0.28 0.54 -0.41 1.25 3.64 -1.72 -0.34 116.57 119.80 1dm2 h LYS 88 Ca 0.07 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1dm2 h LYS 88 Cb 0.20 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1dm2 h LYS 88 CO 0.00 0.47 0.01 -0.22 -2.27 0.00 0.00 179.45 177.44 1dm2 h LYS 89 N 0.47 0.66 -0.01 1.90 3.64 -1.84 -2.12 116.57 119.27 1dm2 h LYS 89 Ca 0.13 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1dm2 h LYS 89 Cb 0.10 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1dm2 h LYS 89 CO -0.02 0.67 -0.70 0.35 -2.27 0.00 0.00 179.45 177.49 1dm2 h PHE 90 N 0.62 0.07 -0.13 1.91 3.57 -1.16 -2.51 116.94 119.31 1dm2 h PHE 90 Ca 0.13 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.41 1dm2 h PHE 90 Cb 0.38 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1dm2 h PHE 90 CO 0.02 0.73 -0.69 0.52 -2.23 0.00 0.00 178.31 176.66 1dm2 h MET 91 N 0.03 0.55 -0.39 1.11 2.86 -0.64 -2.60 114.93 115.85 1dm2 h MET 91 Ca -0.01 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.16 1dm2 h MET 91 Cb 1.23 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 1dm2 h MET 91 CO 0.09 1.04 0.05 -0.44 1.06 0.00 0.00 176.91 178.72 1dm2 h ASP 92 N 0.39 0.63 0.40 1.22 3.32 -1.33 -0.32 116.42 120.73 1dm2 h ASP 92 Ca -0.02 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1dm2 h ASP 92 Cb 1.27 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1dm2 h ASP 92 CO 0.13 0.74 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 1dm2 n ALA 93 N -2.37 1.52 -0.20 3.45 0.00 -0.95 -2.08 120.51 119.88 1dm2 n ALA 93 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1dm2 n ALA 93 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1dm2 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dm2 n SER 94 N -1.53 1.63 0.32 0.00 7.64 -0.99 -4.76 113.62 115.92 1dm2 n SER 94 Ca 0.03 -1.82 0.21 0.00 1.01 0.00 0.00 58.87 58.30 1dm2 n SER 94 Cb 0.13 -0.00 1.13 0.00 -1.01 0.00 0.00 64.21 64.46 1dm2 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dm2 h ALA 95 N 0.00 1.01 0.01 -0.43 0.00 -0.49 2.85 119.26 122.21 1dm2 h ALA 95 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1dm2 h ALA 95 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1dm2 h ALA 95 CO 0.00 -0.01 -2.27 1.28 0.00 0.00 0.00 179.25 178.26 1dm2 n LEU 96 N -2.96 1.03 -0.12 0.00 4.77 -1.26 -4.55 117.00 113.90 1dm2 n LEU 96 Ca -0.03 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1dm2 n LEU 96 Cb 0.07 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1dm2 n LEU 96 CO 0.18 0.61 -1.27 1.07 -1.33 0.00 0.00 177.39 176.65 1dm2 n THR 97 N -2.97 1.46 0.00 -5.08 5.66 -0.97 -5.11 114.28 107.26 1dm2 n THR 97 Ca -0.33 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1dm2 n THR 97 Cb 1.09 -1.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 1dm2 n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dm2 n GLY 98 N 2.08 0.04 3.71 1.09 0.00 0.95 -4.92 105.19 108.13 1dm2 n GLY 98 Ca -0.41 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1dm2 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dm2 s ILE 99 N -1.66 3.48 0.33 -0.61 1.01 -1.26 -4.94 121.20 117.56 1dm2 s ILE 99 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 1dm2 s ILE 99 Cb 0.00 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.70 1dm2 s ILE 99 CO 0.00 0.05 1.40 -2.65 0.00 0.00 0.00 174.94 173.74 1dm2 n PRO 100 N 4.38 2.34 -0.25 2.79 -0.02 -1.26 -4.72 135.00 138.27 1dm2 n PRO 100 Ca 0.12 0.82 0.05 0.00 -2.02 0.00 0.00 63.50 62.47 1dm2 n PRO 100 Cb 0.43 -2.48 0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1dm2 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1dm2 h LEU 101 N 3.11 -0.19 -1.88 2.45 5.85 -1.98 0.18 115.31 122.85 1dm2 h LEU 101 Ca -0.47 0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.57 1dm2 h LEU 101 Cb 1.26 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1dm2 h LEU 101 CO 0.66 -0.12 0.41 -0.65 -0.34 0.00 0.00 178.44 178.40 1dm2 h PRO 102 N 0.16 0.12 0.17 5.25 0.11 -1.99 0.52 132.00 136.34 1dm2 h PRO 102 Ca 0.41 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 66.20 1dm2 h PRO 102 Cb 0.72 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.83 1dm2 h PRO 102 CO -0.59 0.08 -1.33 1.25 -0.21 0.00 0.00 178.00 177.20 1dm2 h LEU 103 N 0.12 0.84 -0.37 2.35 5.85 -1.03 -2.53 115.31 120.53 1dm2 h LEU 103 Ca 0.28 -0.82 0.02 0.00 0.84 0.00 0.00 57.88 58.20 1dm2 h LEU 103 Cb 0.94 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1dm2 h LEU 103 CO -0.03 1.63 0.21 0.40 -0.34 0.00 0.00 178.44 180.30 1dm2 h ILE 104 N 0.22 1.03 -0.75 4.05 2.04 -0.07 -1.79 117.51 122.23 1dm2 h ILE 104 Ca -0.21 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1dm2 h ILE 104 Cb 2.01 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 1dm2 h ILE 104 CO 0.25 0.08 0.48 0.50 0.00 0.00 0.00 178.15 179.46 1dm2 h LYS 105 N 0.43 1.01 -0.42 2.37 3.64 -1.01 -1.41 116.57 121.18 1dm2 h LYS 105 Ca 0.15 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1dm2 h LYS 105 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1dm2 h LYS 105 CO -0.08 0.69 0.02 1.03 -2.27 0.00 0.00 179.45 178.84 1dm2 h SER 106 N 1.02 0.71 -0.11 4.20 0.87 -1.21 -1.92 113.55 117.12 1dm2 h SER 106 Ca 0.27 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1dm2 h SER 106 Cb -0.08 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1dm2 h SER 106 CO -0.06 0.82 0.06 1.88 -0.53 0.00 0.00 176.83 179.00 1dm2 h TYR 107 N 0.57 0.15 -0.64 2.24 0.05 -1.07 -1.03 116.97 117.24 1dm2 h TYR 107 Ca 0.12 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.92 1dm2 h TYR 107 Cb 0.45 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 1dm2 h TYR 107 CO 0.03 0.19 0.40 1.25 -1.05 0.00 0.00 178.16 178.98 1dm2 h LEU 108 N 0.07 0.66 -0.36 3.88 5.85 -1.24 -0.63 115.31 123.54 1dm2 h LEU 108 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dm2 h LEU 108 Cb 0.09 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1dm2 h LEU 108 CO -0.01 0.46 0.23 0.15 -0.34 0.00 0.00 178.44 178.94 1dm2 h PHE 109 N 0.79 0.46 -0.38 1.25 3.57 -1.17 0.19 116.94 121.66 1dm2 h PHE 109 Ca 0.25 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1dm2 h PHE 109 Cb -0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1dm2 h PHE 109 CO -0.05 0.30 0.10 1.96 -2.23 0.00 0.00 178.31 178.39 1dm2 h GLN 110 N 0.48 0.61 -0.80 1.11 4.20 -0.87 -1.21 115.11 118.63 1dm2 h GLN 110 Ca 0.13 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1dm2 h GLN 110 Cb -0.04 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1dm2 h GLN 110 CO -0.03 0.64 0.33 -0.07 -0.67 0.00 0.00 178.83 179.03 1dm2 h LEU 111 N 0.47 1.10 -1.11 1.46 4.07 -0.96 0.97 115.31 121.31 1dm2 h LEU 111 Ca 0.12 -0.17 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1dm2 h LEU 111 Cb 0.30 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1dm2 h LEU 111 CO 0.00 0.96 -0.18 -0.07 -1.08 0.00 0.00 178.44 178.07 1dm2 h LEU 112 N 1.16 0.40 -0.39 1.67 3.38 -0.76 0.31 115.31 121.09 1dm2 h LEU 112 Ca 0.27 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1dm2 h LEU 112 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dm2 h LEU 112 CO -0.02 0.60 -0.17 1.56 0.09 0.00 0.00 178.44 180.50 1dm2 h GLN 113 N 0.37 0.80 -0.48 1.13 4.20 -0.52 0.14 115.11 120.76 1dm2 h GLN 113 Ca 0.07 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 1dm2 h GLN 113 Cb 0.54 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1dm2 h GLN 113 CO 0.04 0.97 0.07 0.78 -0.67 0.00 0.00 178.83 180.01 1dm2 h GLY 114 N 0.61 0.86 0.88 3.46 0.00 -0.23 -2.27 103.07 106.38 1dm2 h GLY 114 Ca 0.09 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1dm2 h GLY 114 CO 0.05 0.54 -0.03 1.41 0.00 0.00 0.00 176.54 178.51 1dm2 h LEU 115 N 0.67 0.54 -1.18 3.11 3.38 -0.29 -2.40 115.31 119.14 1dm2 h LEU 115 Ca 0.14 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1dm2 h LEU 115 Cb 0.40 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1dm2 h LEU 115 CO 0.01 0.75 0.60 0.00 0.09 0.00 0.00 178.44 179.88 1dm2 h ALA 116 N 0.81 1.74 -0.13 1.53 0.00 -0.59 0.10 119.26 122.72 1dm2 h ALA 116 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1dm2 h ALA 116 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dm2 h ALA 116 CO 0.02 -0.00 -0.03 0.35 0.00 0.00 0.00 179.25 179.59 1dm2 h PHE 117 N 0.78 0.29 0.40 0.00 3.57 -1.19 -2.23 116.94 118.56 1dm2 h PHE 117 Ca 0.48 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1dm2 h PHE 117 Cb 0.69 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1dm2 h PHE 117 CO -0.00 0.55 -0.27 0.00 -2.23 0.00 0.00 178.31 176.35 1dm2 h HIS 119 N -0.66 0.00 0.00 0.00 3.86 -0.64 0.97 115.15 118.69 1dm2 h HIS 119 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1dm2 h HIS 119 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1dm2 h HIS 119 CO -0.12 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.33 1dm2 h SER 120 N 0.00 0.00 -0.44 2.45 4.64 -1.19 -2.51 113.55 116.50 1dm2 h SER 120 Ca 0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1dm2 h SER 120 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1dm2 h SER 120 CO -0.00 0.00 0.04 1.41 -0.87 0.00 0.00 176.83 177.41 1dm2 n HIS 121 N -2.40 1.52 -1.85 4.77 8.25 0.19 -4.93 115.22 120.78 1dm2 n HIS 121 Ca 0.03 -0.96 -0.20 0.00 -0.26 0.00 0.00 57.72 56.33 1dm2 n HIS 121 Cb 0.34 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 1dm2 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dm2 n ARG 122 N -0.22 -1.54 -4.25 -0.41 1.74 -0.95 -4.96 116.66 106.07 1dm2 n ARG 122 Ca 0.28 1.10 -0.34 0.00 -0.77 0.00 0.00 57.85 58.12 1dm2 n ARG 122 Cb 1.08 -5.56 -0.12 0.00 -1.02 0.00 0.00 32.46 26.83 1dm2 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dm2 s VAL 123 N -2.78 3.86 0.22 1.55 1.01 -0.37 -4.98 120.40 118.91 1dm2 s VAL 123 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1dm2 s VAL 123 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1dm2 s VAL 123 CO 0.00 0.46 0.08 -0.76 0.00 0.00 0.00 175.10 174.88 1dm2 s LEU 124 N 0.68 3.50 -0.17 3.92 1.43 -1.26 -2.71 118.68 124.07 1dm2 s LEU 124 Ca -0.02 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1dm2 s LEU 124 Cb -0.14 -2.08 -0.18 0.00 0.03 0.00 0.00 46.19 43.82 1dm2 s LEU 124 CO 0.02 0.02 0.37 -0.74 0.23 0.00 0.00 176.35 176.25 1dm2 h HIS 125 N 2.05 0.00 0.00 0.29 -0.00 -1.94 -3.45 115.15 112.10 1dm2 h HIS 125 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1dm2 h HIS 125 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1dm2 h HIS 125 CO 0.61 1.03 0.00 0.54 -0.00 0.00 0.00 177.93 180.11 1dm2 n ARG 126 N -4.55 0.00 -2.87 5.26 1.74 -1.26 -1.99 116.66 112.99 1dm2 n ARG 126 Ca -0.18 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 1dm2 n ARG 126 Cb 0.50 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1dm2 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1dm2 n ASP 127 N 0.56 1.33 -4.73 0.55 2.03 -1.26 -4.97 116.55 110.06 1dm2 n ASP 127 Ca 0.00 -2.87 -0.41 0.00 0.52 0.00 0.00 54.79 52.02 1dm2 n ASP 127 Cb 0.00 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 39.80 1dm2 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dm2 s LEU 128 N -2.86 4.42 -0.05 -2.67 1.43 -1.26 -4.92 118.68 112.77 1dm2 s LEU 128 Ca 0.33 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 1dm2 s LEU 128 Cb 0.41 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1dm2 s LEU 128 CO -0.02 -0.46 0.76 -1.59 0.23 0.00 0.00 176.35 175.27 1dm2 s LYS 129 N 0.18 0.96 0.47 1.70 -2.85 -1.26 -4.77 119.74 114.18 1dm2 s LYS 129 Ca 0.56 0.10 0.32 0.00 -1.00 0.00 0.00 55.97 55.96 1dm2 s LYS 129 Cb -0.34 0.45 1.43 0.00 -2.06 0.00 0.00 37.83 37.32 1dm2 s LYS 129 CO 0.35 -0.33 1.69 -1.35 0.10 0.00 0.00 175.35 175.82 1dm2 h PRO 130 N 2.70 0.12 -0.25 1.78 0.11 -1.95 -0.26 132.00 134.25 1dm2 h PRO 130 Ca -0.26 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1dm2 h PRO 130 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1dm2 h PRO 130 CO 0.36 0.08 -0.17 1.96 -0.21 0.00 0.00 178.00 180.03 1dm2 h GLN 131 N 0.12 0.44 -0.99 1.05 4.20 -1.94 -2.38 115.11 115.61 1dm2 h GLN 131 Ca 0.72 -0.13 -0.55 0.00 0.06 0.00 0.00 58.65 58.75 1dm2 h GLN 131 Cb 2.43 -0.04 -0.30 0.00 0.30 0.00 0.00 27.48 29.87 1dm2 h GLN 131 CO -0.23 0.60 0.69 0.27 -0.67 0.00 0.00 178.83 179.49 1dm2 n ASN 132 N -4.19 4.68 -4.00 1.46 0.23 -0.11 -4.73 115.26 108.60 1dm2 n ASN 132 Ca 0.00 -3.66 -0.29 0.00 -0.53 0.00 0.00 54.58 50.10 1dm2 n ASN 132 Cb 0.34 -0.87 -0.17 0.00 -2.08 0.00 0.00 39.78 37.01 1dm2 n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1dm2 s LEU 133 N -3.43 1.59 -0.03 -4.53 1.43 -1.16 -0.91 118.68 111.64 1dm2 s LEU 133 Ca 0.59 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1dm2 s LEU 133 Cb 0.49 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 1dm2 s LEU 133 CO 0.08 -0.07 -0.04 -0.76 0.23 0.00 0.00 176.35 175.79 1dm2 s LEU 134 N 1.51 3.31 0.22 1.79 1.43 -0.25 -0.18 118.68 126.50 1dm2 s LEU 134 Ca 0.04 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.21 1dm2 s LEU 134 Cb -0.13 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1dm2 s LEU 134 CO -0.10 0.31 -0.20 0.27 0.23 0.00 0.00 176.35 176.87 1dm2 s ILE 135 N -0.96 2.20 0.23 -0.59 -4.36 0.14 -0.62 121.20 117.24 1dm2 s ILE 135 Ca 0.16 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1dm2 s ILE 135 Cb -0.11 -2.13 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1dm2 s ILE 135 CO 0.06 -0.35 0.04 0.54 0.24 0.00 0.00 174.94 175.47 1dm2 s ASN 136 N -3.11 1.47 0.25 4.36 2.20 -1.00 -3.78 114.94 115.32 1dm2 s ASN 136 Ca 0.24 -1.28 0.18 0.00 -0.94 0.00 0.00 52.86 51.06 1dm2 s ASN 136 Cb -0.05 0.09 0.92 0.00 -2.00 0.00 0.00 41.25 40.21 1dm2 s ASN 136 CO 0.11 -0.61 1.54 0.35 -2.94 0.00 0.00 177.10 175.54 1dm2 n THR 137 N -0.41 1.19 1.62 0.54 -2.24 -1.26 -1.83 114.28 111.89 1dm2 n THR 137 Ca -0.03 0.63 0.12 0.00 -2.27 0.00 0.00 64.05 62.49 1dm2 n THR 137 Cb 0.65 -1.61 0.54 0.00 -2.10 0.00 0.00 70.33 67.81 1dm2 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dm2 n GLU 138 N -2.10 1.40 -0.69 -0.78 -0.58 -1.26 -4.52 120.64 112.11 1dm2 n GLU 138 Ca -0.01 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.14 1dm2 n GLU 138 Cb 0.05 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1dm2 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dm2 n GLY 139 N 1.03 0.62 3.89 0.62 0.00 -0.76 -4.80 105.19 105.79 1dm2 n GLY 139 Ca 0.17 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1dm2 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm2 s ALA 140 N -2.00 3.84 0.01 4.61 0.00 -1.25 -4.90 121.76 122.07 1dm2 s ALA 140 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1dm2 s ALA 140 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1dm2 s ALA 140 CO 0.00 0.67 -0.17 -1.50 0.00 0.00 0.00 175.76 174.76 1dm2 s ILE 141 N -1.46 1.35 0.04 0.00 2.07 -1.26 -2.36 121.20 119.58 1dm2 s ILE 141 Ca 0.34 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.71 1dm2 s ILE 141 Cb -0.13 -1.15 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 1dm2 s ILE 141 CO 0.21 0.27 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.91 1dm2 s LYS 142 N -0.70 0.50 0.02 3.50 1.02 0.21 -4.61 119.74 119.68 1dm2 s LYS 142 Ca 0.06 -0.84 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 1dm2 s LYS 142 Cb -0.07 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 1dm2 s LYS 142 CO 0.00 -0.01 0.80 -0.51 -0.92 0.00 0.00 175.35 174.71 1dm2 s LEU 143 N -1.89 4.41 0.18 3.17 1.43 -0.41 -1.10 118.68 124.47 1dm2 s LEU 143 Ca -0.07 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1dm2 s LEU 143 Cb -0.06 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1dm2 s LEU 143 CO -0.02 -0.06 0.02 0.00 0.23 0.00 0.00 176.35 176.52 1dm2 s ALA 144 N 0.29 1.34 -1.02 4.21 0.00 -0.09 -1.62 121.76 124.86 1dm2 s ALA 144 Ca 0.41 -1.61 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1dm2 s ALA 144 Cb -0.20 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.49 1dm2 s ALA 144 CO 0.23 -0.35 0.89 -3.47 0.00 0.00 0.00 175.76 173.06 1dm2 n ASP 145 N -0.25 -6.37 -4.66 0.00 -0.08 -1.26 -4.76 116.55 99.17 1dm2 n ASP 145 Ca -0.06 -0.69 -0.43 0.00 -1.51 0.00 0.00 54.79 52.11 1dm2 n ASP 145 Cb 0.64 -5.07 -0.02 0.00 2.34 0.00 0.00 41.12 39.00 1dm2 n ASP 145 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1dm2 s PHE 146 N -3.38 2.59 0.74 -0.67 0.40 -1.26 -4.81 117.98 111.60 1dm2 s PHE 146 Ca 0.43 0.75 -0.14 0.00 -0.60 0.00 0.00 56.93 57.37 1dm2 s PHE 146 Cb -0.06 -3.64 0.05 0.00 0.51 0.00 0.00 43.02 39.88 1dm2 s PHE 146 CO 0.72 -2.41 1.19 0.20 0.70 0.00 0.00 175.22 175.61 1dm2 s GLY 147 N 2.36 2.26 -0.01 4.36 0.00 -0.84 -5.06 107.32 110.39 1dm2 s GLY 147 Ca 0.61 0.81 0.08 0.00 0.00 0.00 0.00 44.72 46.23 1dm2 s GLY 147 CO 0.21 1.21 0.21 1.04 0.00 0.00 0.00 173.10 175.77 1dm2 n LEU 148 N -2.85 0.07 -0.06 0.66 4.77 -1.26 -4.87 117.00 113.47 1dm2 n LEU 148 Ca 0.13 -0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1dm2 n LEU 148 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1dm2 n LEU 148 CO 0.48 0.02 -0.91 0.55 -1.33 0.00 0.00 177.39 176.19 1dm2 n VAL 164 N -1.68 0.74 -2.70 4.08 3.14 -1.26 -5.16 118.33 115.49 1dm2 n VAL 164 Ca -0.01 -0.57 -0.41 0.00 -2.96 0.00 0.00 64.34 60.38 1dm2 n VAL 164 Cb 0.20 -0.38 -0.04 0.00 -1.06 0.00 0.00 33.84 32.57 1dm2 n VAL 164 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1dm2 s THR 165 N -2.61 4.59 -1.79 1.55 2.01 -1.26 -4.95 115.64 113.18 1dm2 s THR 165 Ca -0.07 2.03 0.15 0.00 0.31 0.00 0.00 61.69 64.10 1dm2 s THR 165 Cb 0.06 -4.30 0.13 0.00 0.01 0.00 0.00 72.50 68.41 1dm2 s THR 165 CO 0.65 0.25 0.98 0.18 -0.69 0.00 0.00 174.62 176.00 1dm2 n LEU 166 N 3.19 2.27 -0.15 4.42 4.77 -1.26 -4.70 117.00 125.55 1dm2 n LEU 166 Ca 0.04 -1.05 0.28 0.00 -0.03 0.00 0.00 56.01 55.24 1dm2 n LEU 166 Cb 0.50 -0.02 0.72 0.00 -2.33 0.00 0.00 43.42 42.29 1dm2 n LEU 166 CO 0.52 0.42 1.25 -0.50 -1.33 0.00 0.00 177.39 177.75 1dm2 h TRP 167 N 2.85 0.00 -0.40 -1.77 4.06 -1.81 -1.47 115.95 117.42 1dm2 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1dm2 h TRP 167 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1dm2 h TRP 167 CO 0.02 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.56 1dm2 n TYR 168 N -4.11 0.53 -2.32 0.49 4.01 -1.26 -4.52 117.16 109.97 1dm2 n TYR 168 Ca 0.17 -0.48 -0.42 0.00 -0.16 0.00 0.00 57.90 57.01 1dm2 n TYR 168 Cb 0.95 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.93 1dm2 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1dm2 s ARG 169 N -1.00 4.31 0.60 -0.72 6.06 -0.56 -3.84 118.95 123.80 1dm2 s ARG 169 Ca 0.27 1.84 -0.18 0.00 -2.50 0.00 0.00 55.73 55.15 1dm2 s ARG 169 Cb 0.14 -3.57 -0.03 0.00 0.06 0.00 0.00 34.95 31.55 1dm2 s ARG 169 CO 0.18 -0.52 1.19 0.00 -2.50 0.00 0.00 175.30 173.65 1dm2 s ALA 170 N 2.34 2.52 0.35 6.12 0.00 -1.26 -4.89 121.76 126.94 1dm2 s ALA 170 Ca 0.60 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1dm2 s ALA 170 Cb -0.28 -3.43 0.64 0.00 0.00 0.00 0.00 23.12 20.04 1dm2 s ALA 170 CO 0.24 -1.19 1.99 -1.00 0.00 0.00 0.00 175.76 175.80 1dm2 h PRO 171 N 0.75 0.77 -0.12 0.00 0.13 -1.94 -2.50 132.00 129.09 1dm2 h PRO 171 Ca -0.50 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 1dm2 h PRO 171 Cb 1.29 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1dm2 h PRO 171 CO 0.55 0.55 -0.15 1.05 -0.23 0.00 0.00 178.00 179.77 1dm2 h GLU 172 N 0.79 0.19 -0.04 0.86 9.09 -1.92 -0.03 114.58 123.53 1dm2 h GLU 172 Ca 0.21 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.56 1dm2 h GLU 172 Cb -0.02 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.05 1dm2 h GLU 172 CO -0.04 0.35 -0.02 0.82 0.05 0.00 0.00 179.01 180.17 1dm2 h ILE 173 N 0.18 1.33 -0.11 -1.06 2.04 -1.72 -0.93 117.51 117.25 1dm2 h ILE 173 Ca 0.04 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.90 1dm2 h ILE 173 Cb 0.38 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1dm2 h ILE 173 CO 0.02 0.28 0.09 -0.07 0.00 0.00 0.00 178.15 178.46 1dm2 h LEU 174 N -0.33 0.00 -1.63 1.44 3.38 -1.19 -1.76 115.31 115.22 1dm2 h LEU 174 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dm2 h LEU 174 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1dm2 h LEU 174 CO 0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1dm2 n LEU 175 N -4.34 2.39 0.00 1.67 4.77 -0.07 -4.89 117.00 116.54 1dm2 n LEU 175 Ca -0.00 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1dm2 n LEU 175 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1dm2 n LEU 175 CO 0.33 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1dm2 n GLY 176 N 0.92 0.68 3.61 -0.72 0.00 -0.66 -1.06 105.19 107.97 1dm2 n GLY 176 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1dm2 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm2 h LYS 178 N 13.27 0.47 -2.27 0.00 1.57 -1.93 -3.37 116.57 124.32 1dm2 h LYS 178 Ca -0.40 -0.53 -0.80 0.00 -1.87 0.00 0.00 60.65 57.05 1dm2 h LYS 178 Cb 1.21 0.16 -0.28 0.00 0.08 0.00 0.00 32.23 33.40 1dm2 h LYS 178 CO 0.98 1.18 0.97 0.66 -0.57 0.00 0.00 179.45 182.66 1dm2 n TYR 179 N -4.11 2.81 -1.50 -1.35 4.01 -1.26 -5.03 117.16 110.73 1dm2 n TYR 179 Ca -0.11 -2.62 -0.31 0.00 -0.16 0.00 0.00 57.90 54.70 1dm2 n TYR 179 Cb 0.75 -1.17 0.06 0.00 -0.31 0.00 0.00 39.34 38.66 1dm2 n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1dm2 s TYR 180 N -4.26 2.98 0.56 -0.72 -0.85 -1.26 -5.06 117.35 108.73 1dm2 s TYR 180 Ca 0.39 1.46 0.08 0.00 -0.52 0.00 0.00 57.07 58.48 1dm2 s TYR 180 Cb 0.19 -2.92 0.09 0.00 0.38 0.00 0.00 41.96 39.70 1dm2 s TYR 180 CO -0.12 -1.38 0.77 -1.13 -1.52 0.00 0.00 175.55 172.17 1dm2 n SER 181 N -3.22 1.89 0.22 -0.18 3.41 -1.26 -4.97 113.62 109.51 1dm2 n SER 181 Ca 0.08 -2.39 0.15 0.00 -0.26 0.00 0.00 58.87 56.45 1dm2 n SER 181 Cb 0.53 -0.42 0.78 0.00 -0.26 0.00 0.00 64.21 64.85 1dm2 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1dm2 h THR 182 N 0.02 0.00 0.00 6.66 1.35 -1.97 -2.10 112.91 116.87 1dm2 h THR 182 Ca -0.26 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 1dm2 h THR 182 Cb 1.16 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1dm2 h THR 182 CO 0.36 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.60 1dm2 h ALA 183 N 2.01 1.15 -0.17 6.62 0.00 -1.93 -1.75 119.26 125.20 1dm2 h ALA 183 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dm2 h ALA 183 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dm2 h ALA 183 CO 0.00 0.03 -0.14 -0.39 0.00 0.00 0.00 179.25 178.75 1dm2 h VAL 184 N 0.00 1.19 0.00 0.00 -1.51 -1.77 -1.54 116.25 112.62 1dm2 h VAL 184 Ca -0.00 -0.85 -0.11 0.00 -1.23 0.00 0.00 66.70 64.51 1dm2 h VAL 184 Cb 0.15 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1dm2 h VAL 184 CO 0.00 0.27 -0.52 0.44 -1.23 0.00 0.00 177.57 176.53 1dm2 h ASP 185 N 0.26 0.00 0.15 4.19 3.32 -1.54 -1.64 116.42 121.16 1dm2 h ASP 185 Ca 0.05 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 1dm2 h ASP 185 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1dm2 h ASP 185 CO 0.02 0.52 -0.72 0.40 -1.72 0.00 0.00 179.24 177.74 1dm2 h ILE 186 N 0.00 1.35 0.34 0.35 1.08 -1.38 -1.92 117.51 117.33 1dm2 h ILE 186 Ca -0.01 -2.07 -0.02 0.00 -0.39 0.00 0.00 64.86 62.37 1dm2 h ILE 186 Cb 1.00 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1dm2 h ILE 186 CO 0.07 0.63 -0.17 -0.25 -0.69 0.00 0.00 178.15 177.74 1dm2 h TRP 187 N 0.35 -0.43 -0.80 1.37 2.91 -0.99 -0.36 115.95 117.99 1dm2 h TRP 187 Ca -0.03 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.08 1dm2 h TRP 187 Cb 1.31 0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 30.03 1dm2 h TRP 187 CO 0.05 -0.17 0.44 0.77 -1.03 0.00 0.00 178.44 178.50 1dm2 h SER 188 N -0.62 0.61 -0.02 2.65 0.02 -1.31 -0.86 113.55 114.03 1dm2 h SER 188 Ca -0.05 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1dm2 h SER 188 Cb 0.45 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1dm2 h SER 188 CO 0.08 0.35 -0.27 0.25 -1.14 0.00 0.00 176.83 176.10 1dm2 h LEU 189 N 0.73 0.45 -1.17 5.07 5.85 -1.16 -2.12 115.31 122.96 1dm2 h LEU 189 Ca 0.39 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1dm2 h LEU 189 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1dm2 h LEU 189 CO -0.26 0.71 0.20 1.23 -0.34 0.00 0.00 178.44 179.98 1dm2 h GLY 190 N 1.03 0.83 1.27 3.75 0.00 0.32 -0.35 103.07 109.93 1dm2 h GLY 190 Ca 0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1dm2 h GLY 190 CO 0.05 0.40 -0.26 0.00 0.00 0.00 0.00 176.54 176.73 1dm2 h ILE 192 N 0.71 1.33 0.09 0.00 2.04 -0.93 -2.11 117.51 118.64 1dm2 h ILE 192 Ca 0.09 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 1dm2 h ILE 192 Cb 0.80 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1dm2 h ILE 192 CO 0.07 0.58 -0.04 0.15 0.00 0.00 0.00 178.15 178.90 1dm2 h PHE 193 N 0.38 -0.11 -0.56 1.37 3.57 -0.97 -1.01 116.94 119.61 1dm2 h PHE 193 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dm2 h PHE 193 Cb 1.13 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1dm2 h PHE 193 CO 0.04 0.00 0.35 0.00 -2.23 0.00 0.00 178.31 176.48 1dm2 h ALA 194 N 0.72 1.57 -0.17 2.41 0.00 -1.40 -2.22 119.26 120.16 1dm2 h ALA 194 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1dm2 h ALA 194 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dm2 h ALA 194 CO 0.02 0.39 -0.52 1.49 0.00 0.00 0.00 179.25 180.63 1dm2 h GLU 195 N 0.76 0.49 -0.35 0.00 4.81 -1.03 -1.35 114.58 117.91 1dm2 h GLU 195 Ca 0.20 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1dm2 h GLU 195 Cb -0.06 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1dm2 h GLU 195 CO -0.04 0.89 -0.24 0.52 -0.73 0.00 0.00 179.01 179.42 1dm2 h MET 196 N 0.39 0.70 -0.07 1.92 2.86 -0.65 0.34 114.93 120.41 1dm2 h MET 196 Ca 0.01 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1dm2 h MET 196 Cb 1.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1dm2 h MET 196 CO 0.09 0.87 -0.23 0.28 1.06 0.00 0.00 176.91 178.99 1dm2 h VAL 197 N 0.61 1.42 0.00 -2.22 2.07 -1.31 -3.36 116.25 113.46 1dm2 h VAL 197 Ca 0.08 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1dm2 h VAL 197 Cb 0.72 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1dm2 h VAL 197 CO 0.06 0.45 -1.13 0.35 0.02 0.00 0.00 177.57 177.32 1dm2 n THR 198 N -4.52 0.48 -1.88 2.57 -2.24 -0.52 -4.91 114.28 103.26 1dm2 n THR 198 Ca -0.08 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1dm2 n THR 198 Cb 0.44 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1dm2 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dm2 n ARG 199 N -2.52 -0.81 -3.76 -0.78 1.74 0.12 -5.00 116.66 105.64 1dm2 n ARG 199 Ca -0.00 0.65 -0.13 0.00 -0.77 0.00 0.00 57.85 57.60 1dm2 n ARG 199 Cb 0.54 -4.69 -0.12 0.00 -1.02 0.00 0.00 32.46 27.16 1dm2 n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1dm2 s ARG 200 N -3.95 0.24 0.36 5.56 0.52 -1.23 -5.06 118.95 115.39 1dm2 s ARG 200 Ca 0.00 0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 55.34 1dm2 s ARG 200 Cb 0.00 0.02 -0.11 0.00 0.52 0.00 0.00 34.95 35.37 1dm2 s ARG 200 CO 0.00 -0.09 1.45 0.00 0.02 0.00 0.00 175.30 176.68 1dm2 n ALA 201 N 3.52 2.16 0.30 2.13 0.00 -1.26 -4.29 120.51 123.06 1dm2 n ALA 201 Ca -0.18 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1dm2 n ALA 201 Cb 0.56 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 1dm2 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dm2 h LEU 202 N 2.98 -0.66 -6.61 0.00 5.85 -1.91 -3.39 115.31 111.57 1dm2 h LEU 202 Ca -0.50 -0.03 -0.60 0.00 0.84 0.00 0.00 57.88 57.59 1dm2 h LEU 202 Cb 1.25 0.17 -0.41 0.00 0.37 0.00 0.00 40.66 42.04 1dm2 h LEU 202 CO 0.65 -0.30 -0.72 0.49 -0.34 0.00 0.00 178.44 178.21 1dm2 n PHE 203 N -5.33 2.06 -1.72 1.25 3.72 -1.26 -5.03 117.46 111.14 1dm2 n PHE 203 Ca -0.11 -3.98 -0.41 0.00 -0.05 0.00 0.00 57.45 52.90 1dm2 n PHE 203 Cb 0.34 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1dm2 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1dm2 n PRO 204 N 1.83 2.24 -2.55 -1.08 -0.04 -1.26 -4.42 135.00 129.72 1dm2 n PRO 204 Ca 0.25 -2.43 -0.37 0.00 -0.04 0.00 0.00 63.50 60.91 1dm2 n PRO 204 Cb 0.41 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.57 1dm2 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1dm2 s GLY 205 N 4.51 2.76 0.00 0.55 0.00 -1.26 -4.96 107.32 108.92 1dm2 s GLY 205 Ca 0.55 0.71 0.09 0.00 0.00 0.00 0.00 44.72 46.07 1dm2 s GLY 205 CO 0.05 1.15 1.08 2.09 0.00 0.00 0.00 173.10 177.46 1dm2 n ASP 206 N 0.02 2.46 -3.71 1.64 5.68 -1.26 -4.59 116.55 116.78 1dm2 n ASP 206 Ca 0.05 -1.80 -0.09 0.00 -0.50 0.00 0.00 54.79 52.44 1dm2 n ASP 206 Cb 0.49 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 1dm2 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1dm2 s SER 207 N -0.93 -0.33 0.19 -1.12 1.04 -1.26 -5.00 113.70 106.30 1dm2 s SER 207 Ca 0.17 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.06 1dm2 s SER 207 Cb 0.09 0.64 0.15 0.00 0.10 0.00 0.00 66.02 67.00 1dm2 s SER 207 CO 0.13 -1.14 1.83 -0.33 0.98 0.00 0.00 173.24 174.71 1dm2 h GLU 208 N 2.08 0.69 0.00 4.02 4.39 -1.99 -0.07 114.58 123.71 1dm2 h GLU 208 Ca -0.27 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.23 1dm2 h GLU 208 Cb 1.27 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1dm2 h GLU 208 CO 0.33 0.46 -0.77 0.97 -1.16 0.00 0.00 179.01 178.83 1dm2 h ILE 209 N 0.71 1.36 -0.39 3.13 6.09 -1.97 -2.52 117.51 123.92 1dm2 h ILE 209 Ca 0.25 -2.83 -0.15 0.00 -1.37 0.00 0.00 64.86 60.76 1dm2 h ILE 209 Cb 0.04 2.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.93 1dm2 h ILE 209 CO -0.11 0.75 -0.33 -0.78 -3.07 0.00 0.00 178.15 174.61 1dm2 h ASP 210 N 0.00 0.97 -0.10 2.19 3.58 -1.87 -0.39 116.42 120.81 1dm2 h ASP 210 Ca -0.01 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 1dm2 h ASP 210 Cb 1.55 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 1dm2 h ASP 210 CO 0.10 1.22 0.04 -0.61 -2.88 0.00 0.00 179.24 177.11 1dm2 h GLN 211 N 0.74 0.15 -0.48 0.28 5.75 -1.01 0.20 115.11 120.74 1dm2 h GLN 211 Ca 0.07 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1dm2 h GLN 211 Cb 0.92 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1dm2 h GLN 211 CO 0.09 0.27 0.26 1.25 -2.65 0.00 0.00 178.83 178.05 1dm2 h LEU 212 N -0.00 0.60 -1.07 -2.39 5.85 -1.39 -2.21 115.31 114.70 1dm2 h LEU 212 Ca 0.03 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1dm2 h LEU 212 Cb 0.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1dm2 h LEU 212 CO -0.00 0.52 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.94 1dm2 h PHE 213 N 0.64 0.00 -0.20 1.25 -1.00 -0.95 -0.55 116.94 116.13 1dm2 h PHE 213 Ca 0.17 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.81 1dm2 h PHE 213 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1dm2 h PHE 213 CO -0.02 0.41 -0.45 0.00 -1.61 0.00 0.00 178.31 176.64 1dm2 h ARG 214 N 0.00 0.50 -0.17 1.51 3.08 -0.67 0.14 114.38 118.77 1dm2 h ARG 214 Ca -0.00 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1dm2 h ARG 214 Cb 0.83 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1dm2 h ARG 214 CO 0.05 0.85 -0.10 0.82 -1.07 0.00 0.00 179.97 180.53 1dm2 h ILE 215 N 0.40 1.32 -0.38 2.04 2.04 -0.89 -3.05 117.51 118.99 1dm2 h ILE 215 Ca 0.03 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1dm2 h ILE 215 Cb 0.95 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1dm2 h ILE 215 CO 0.08 0.35 0.23 -0.26 0.00 0.00 0.00 178.15 178.55 1dm2 h PHE 216 N 0.04 0.44 -0.23 1.37 -1.00 -0.98 0.72 116.94 117.29 1dm2 h PHE 216 Ca 0.04 0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.90 1dm2 h PHE 216 Cb 0.59 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1dm2 h PHE 216 CO 0.07 0.26 0.19 0.00 -1.61 0.00 0.00 178.31 177.22 1dm2 h ARG 217 N 0.47 0.00 0.00 1.51 3.08 -0.69 0.33 114.38 119.08 1dm2 h ARG 217 Ca 0.15 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.77 1dm2 h ARG 217 Cb -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1dm2 h ARG 217 CO -0.06 0.00 -2.31 2.41 -1.07 0.00 0.00 179.97 178.94 1dm2 n THR 218 N -4.25 1.53 1.27 2.04 -1.04 -0.96 -4.52 114.28 108.35 1dm2 n THR 218 Ca 0.03 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1dm2 n THR 218 Cb 0.33 -1.91 0.41 0.00 -1.82 0.00 0.00 70.33 67.34 1dm2 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1dm2 n LEU 219 N -4.28 1.77 0.00 -4.42 4.77 0.21 -0.86 117.00 114.19 1dm2 n LEU 219 Ca -0.51 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1dm2 n LEU 219 Cb 0.85 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1dm2 n LEU 219 CO 0.06 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1dm2 n GLY 220 N 1.18 -2.03 3.72 -0.72 0.00 0.12 -4.27 105.19 103.19 1dm2 n GLY 220 Ca 0.17 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1dm2 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm2 s THR 221 N -2.52 2.27 0.50 2.61 2.01 -0.34 -4.64 115.64 115.53 1dm2 s THR 221 Ca 0.00 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 1dm2 s THR 221 Cb 0.00 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 1dm2 s THR 221 CO 0.00 0.02 1.08 -2.16 -0.69 0.00 0.00 174.62 172.86 1dm2 s PRO 222 N 1.11 3.67 0.20 4.92 0.04 -1.26 -4.87 135.00 138.81 1dm2 s PRO 222 Ca 0.73 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1dm2 s PRO 222 Cb -0.47 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1dm2 s PRO 222 CO 0.32 -0.56 0.16 -0.40 0.04 0.00 0.00 177.00 176.56 1dm2 n ASP 223 N -0.99 -0.31 0.29 6.66 5.68 -1.26 -4.96 116.55 121.66 1dm2 n ASP 223 Ca 0.10 -2.28 0.17 0.00 -0.50 0.00 0.00 54.79 52.27 1dm2 n ASP 223 Cb 0.52 0.95 0.91 0.00 -1.14 0.00 0.00 41.12 42.36 1dm2 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1dm2 h GLU 224 N 0.00 0.00 -0.08 0.11 4.39 -1.97 -0.93 114.58 116.10 1dm2 h GLU 224 Ca -0.14 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1dm2 h GLU 224 Cb 0.70 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1dm2 h GLU 224 CO 0.21 0.04 -0.08 0.28 -1.16 0.00 0.00 179.01 178.30 1dm2 h VAL 225 N 0.00 1.37 0.00 3.13 2.07 -2.00 -3.23 116.25 117.59 1dm2 h VAL 225 Ca -0.00 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1dm2 h VAL 225 Cb 0.17 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1dm2 h VAL 225 CO 0.01 0.35 -1.35 1.33 0.02 0.00 0.00 177.57 177.93 1dm2 n VAL 226 N -4.69 0.79 -3.40 2.57 0.24 -1.15 -4.74 118.33 107.95 1dm2 n VAL 226 Ca -0.07 -0.61 -0.26 0.00 -2.04 0.00 0.00 64.34 61.36 1dm2 n VAL 226 Cb 0.32 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 1dm2 n VAL 226 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1dm2 s TRP 227 N -3.18 0.65 -0.18 6.34 -0.11 -0.37 -4.33 118.94 117.77 1dm2 s TRP 227 Ca -0.03 -1.75 -0.29 0.00 1.22 0.00 0.00 56.10 55.25 1dm2 s TRP 227 Cb 0.10 -0.80 -0.06 0.00 -1.50 0.00 0.00 33.47 31.20 1dm2 s TRP 227 CO 0.82 -0.86 2.17 -0.35 -4.62 0.00 0.00 176.95 174.10 1dm2 n PRO 228 N 3.58 2.08 0.00 5.86 -0.04 -1.22 -2.04 135.00 143.23 1dm2 n PRO 228 Ca 0.19 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1dm2 n PRO 228 Cb 0.43 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 1dm2 n PRO 228 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dm2 n GLY 229 N 5.56 0.75 0.27 0.55 0.00 -1.26 -5.00 105.19 106.05 1dm2 n GLY 229 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 1dm2 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1dm2 h VAL 230 N 0.00 1.20 0.00 1.61 3.04 -1.72 -2.30 116.25 118.08 1dm2 h VAL 230 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1dm2 h VAL 230 Cb 0.00 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1dm2 h VAL 230 CO 0.00 0.20 0.00 0.35 -1.01 0.00 0.00 177.57 177.11 1dm2 n THR 231 N -4.56 1.00 0.98 3.17 -2.24 -1.26 -1.35 114.28 110.02 1dm2 n THR 231 Ca 0.05 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1dm2 n THR 231 Cb 0.06 -1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 67.23 1dm2 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1dm2 n SER 232 N -1.42 1.94 -4.76 3.42 7.64 -0.87 -4.89 113.62 114.69 1dm2 n SER 232 Ca 0.04 -1.47 -0.38 0.00 1.01 0.00 0.00 58.87 58.06 1dm2 n SER 232 Cb 0.12 0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.86 1dm2 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1dm2 s MET 233 N -2.47 3.39 0.20 1.43 -1.94 -0.45 -4.92 119.30 114.54 1dm2 s MET 233 Ca 0.17 2.14 -0.19 0.00 -1.71 0.00 0.00 55.69 56.10 1dm2 s MET 233 Cb 0.18 -2.36 0.17 0.00 2.01 0.00 0.00 34.83 34.82 1dm2 s MET 233 CO 0.58 -0.96 1.58 -1.35 -0.01 0.00 0.00 175.02 174.86 1dm2 h PRO 234 N 1.76 -0.11 -0.64 2.03 0.11 -1.83 -2.47 132.00 130.85 1dm2 h PRO 234 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dm2 h PRO 234 Cb 1.28 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1dm2 h PRO 234 CO 0.59 -0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 1dm2 n ASP 235 N -5.45 3.80 -4.80 -2.05 8.00 -0.22 -4.94 116.55 110.89 1dm2 n ASP 235 Ca 0.06 -2.20 -0.34 0.00 0.71 0.00 0.00 54.79 53.01 1dm2 n ASP 235 Cb 0.37 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 1dm2 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dm2 s TYR 236 N -1.50 3.35 -0.04 1.24 5.04 -0.93 -4.95 117.35 119.56 1dm2 s TYR 236 Ca 0.43 1.65 -0.01 0.00 -2.44 0.00 0.00 57.07 56.70 1dm2 s TYR 236 Cb 0.25 -2.92 0.03 0.00 0.35 0.00 0.00 41.96 39.68 1dm2 s TYR 236 CO 0.25 -0.19 0.08 0.15 -1.34 0.00 0.00 175.55 174.50 1dm2 s LYS 237 N -2.88 0.00 0.64 4.97 1.02 -1.26 -4.93 119.74 117.30 1dm2 s LYS 237 Ca 0.60 0.28 0.32 0.00 0.02 0.00 0.00 55.97 57.19 1dm2 s LYS 237 Cb -0.13 -0.25 1.74 0.00 -0.52 0.00 0.00 37.83 38.67 1dm2 s LYS 237 CO 0.18 -0.19 1.97 -1.35 -0.92 0.00 0.00 175.35 175.04 1dm2 h PRO 238 N 7.43 0.00 0.00 -1.68 0.11 -1.97 -0.42 132.00 135.47 1dm2 h PRO 238 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dm2 h PRO 238 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dm2 h PRO 238 CO 0.42 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.08 1dm2 n SER 239 N -2.87 0.00 -4.73 -2.05 3.41 -1.26 -4.85 113.62 101.28 1dm2 n SER 239 Ca -0.02 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 1dm2 n SER 239 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1dm2 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1dm2 s PHE 240 N -2.00 3.01 0.76 7.33 0.08 -0.17 -4.94 117.98 122.06 1dm2 s PHE 240 Ca 0.41 0.69 -0.15 0.00 0.12 0.00 0.00 56.93 57.99 1dm2 s PHE 240 Cb 0.19 -3.94 0.03 0.00 -0.57 0.00 0.00 43.02 38.72 1dm2 s PHE 240 CO 0.31 -3.39 0.95 -2.30 -0.10 0.00 0.00 175.22 170.70 1dm2 n PRO 241 N 3.50 0.34 -3.49 0.24 -0.02 -1.26 -4.92 135.00 129.38 1dm2 n PRO 241 Ca 0.12 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1dm2 n PRO 241 Cb 0.38 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1dm2 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1dm2 s LYS 242 N -3.53 2.91 0.33 -0.52 -0.14 -1.26 -4.82 119.74 112.71 1dm2 s LYS 242 Ca 0.71 -2.15 -0.03 0.00 -1.36 0.00 0.00 55.97 53.15 1dm2 s LYS 242 Cb -0.32 -4.09 -0.04 0.00 -1.68 0.00 0.00 37.83 31.70 1dm2 s LYS 242 CO 0.52 -1.24 0.57 -1.58 -0.76 0.00 0.00 175.35 172.87 1dm2 s TRP 243 N 0.70 3.49 0.09 3.18 0.51 -1.26 -4.92 118.94 120.73 1dm2 s TRP 243 Ca 0.12 0.56 0.02 0.00 -2.12 0.00 0.00 56.10 54.68 1dm2 s TRP 243 Cb -0.20 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.36 1dm2 s TRP 243 CO -0.03 0.11 0.17 0.00 -0.51 0.00 0.00 176.95 176.69 1dm2 s ALA 244 N -2.22 3.82 0.33 0.98 0.00 -1.26 -1.20 121.76 122.20 1dm2 s ALA 244 Ca 0.43 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1dm2 s ALA 244 Cb -0.10 -1.65 -0.11 0.00 0.00 0.00 0.00 23.12 21.25 1dm2 s ALA 244 CO 0.33 0.74 1.53 0.50 0.00 0.00 0.00 175.76 178.87 1dm2 s ARG 245 N -2.60 4.13 0.50 0.00 3.52 -1.26 -3.97 118.95 119.27 1dm2 s ARG 245 Ca 0.33 2.55 -0.03 0.00 -0.13 0.00 0.00 55.73 58.45 1dm2 s ARG 245 Cb -0.12 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1dm2 s ARG 245 CO 0.26 -0.56 0.76 -0.65 -0.81 0.00 0.00 175.30 174.30 1dm2 s GLN 246 N -1.19 3.10 0.07 5.12 -1.52 -0.04 -4.86 119.66 120.35 1dm2 s GLN 246 Ca 0.58 -0.21 -0.34 0.00 -1.95 0.00 0.00 55.36 53.44 1dm2 s GLN 246 Cb -0.47 -2.44 -0.13 0.00 -0.22 0.00 0.00 33.01 29.76 1dm2 s GLN 246 CO 0.54 -0.39 1.67 -3.47 -0.25 0.00 0.00 175.29 173.38 1dm2 n ASP 247 N -2.27 3.13 0.21 5.90 -0.08 -1.26 -4.84 116.55 117.34 1dm2 n ASP 247 Ca 0.02 1.05 0.14 0.00 -1.51 0.00 0.00 54.79 54.49 1dm2 n ASP 247 Cb 0.57 -1.39 0.41 0.00 2.34 0.00 0.00 41.12 43.05 1dm2 n ASP 247 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1dm2 h PHE 248 N 6.94 0.00 0.00 -0.67 3.04 -1.94 -2.68 116.94 121.62 1dm2 h PHE 248 Ca -0.46 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.49 1dm2 h PHE 248 Cb 1.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.77 1dm2 h PHE 248 CO 0.71 0.00 0.00 -1.13 -2.02 0.00 0.00 178.31 175.87 1dm2 n SER 249 N -2.87 0.00 -0.08 0.41 3.41 -1.26 -1.88 113.62 111.35 1dm2 n SER 249 Ca 0.03 0.27 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 1dm2 n SER 249 Cb 0.41 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1dm2 n SER 249 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dm2 n LYS 250 N -1.41 0.21 -0.05 4.33 4.81 -1.01 -4.08 118.16 120.95 1dm2 n LYS 250 Ca 0.08 -0.17 -0.17 0.00 -0.87 0.00 0.00 58.31 57.18 1dm2 n LYS 250 Cb 0.23 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.65 1dm2 n LYS 250 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1dm2 h VAL 251 N 0.41 1.54 -1.42 3.15 2.07 -1.44 -3.42 116.25 117.14 1dm2 h VAL 251 Ca 0.00 -2.35 -0.49 0.00 0.82 0.00 0.00 66.70 64.68 1dm2 h VAL 251 Cb 0.54 3.10 -0.41 0.00 -1.52 0.00 0.00 31.29 33.00 1dm2 h VAL 251 CO 0.00 0.58 -0.95 1.33 0.02 0.00 0.00 177.57 178.54 1dm2 n VAL 252 N -4.46 1.66 -2.31 2.57 0.24 -1.24 -5.00 118.33 109.79 1dm2 n VAL 252 Ca -0.16 -4.21 -0.34 0.00 -2.04 0.00 0.00 64.34 57.59 1dm2 n VAL 252 Cb 0.60 -0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1dm2 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1dm2 s PRO 253 N -3.27 3.52 -0.64 7.34 0.04 -1.26 -1.58 135.00 139.16 1dm2 s PRO 253 Ca 0.39 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1dm2 s PRO 253 Cb 0.41 -2.05 0.45 0.00 0.04 0.00 0.00 34.50 33.34 1dm2 s PRO 253 CO -0.08 -0.67 1.94 -0.35 0.04 0.00 0.00 177.00 177.88 1dm2 n PRO 254 N -1.39 2.80 -1.66 0.56 -0.04 -1.26 -4.78 135.00 129.23 1dm2 n PRO 254 Ca 0.10 -3.41 -0.44 0.00 -0.04 0.00 0.00 63.50 59.71 1dm2 n PRO 254 Cb 0.52 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1dm2 n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1dm2 n LEU 255 N -0.87 2.91 -4.65 1.53 7.94 -0.61 -4.96 117.00 118.29 1dm2 n LEU 255 Ca 0.60 1.19 -0.29 0.00 -1.11 0.00 0.00 56.01 56.40 1dm2 n LEU 255 Cb 0.67 -1.41 0.18 0.00 0.53 0.00 0.00 43.42 43.39 1dm2 n LEU 255 CO 0.74 -0.77 0.63 1.51 -1.11 0.00 0.00 177.39 178.39 1dm2 s ASP 256 N -0.26 2.59 0.52 1.96 1.47 -1.26 -4.69 116.67 117.01 1dm2 s ASP 256 Ca 0.59 1.44 0.20 0.00 1.18 0.00 0.00 52.55 55.96 1dm2 s ASP 256 Cb -0.63 -2.12 1.37 0.00 -0.34 0.00 0.00 42.92 41.20 1dm2 s ASP 256 CO 0.59 -3.19 2.14 -0.08 0.68 0.00 0.00 175.17 175.31 1dm2 h GLU 257 N -1.93 0.00 -0.29 2.11 4.22 -1.98 -0.40 114.58 116.30 1dm2 h GLU 257 Ca -0.53 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.86 1dm2 h GLU 257 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1dm2 h GLU 257 CO 0.54 0.04 -0.01 -0.44 -2.18 0.00 0.00 179.01 176.96 1dm2 h ASP 258 N 0.00 0.52 -0.27 1.04 3.32 -1.99 0.01 116.42 119.05 1dm2 h ASP 258 Ca -0.00 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1dm2 h ASP 258 Cb 0.08 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1dm2 h ASP 258 CO 0.01 0.71 -0.26 1.23 -1.72 0.00 0.00 179.24 179.20 1dm2 h GLY 259 N 0.31 0.72 1.07 2.75 0.00 -1.76 -1.93 103.07 104.23 1dm2 h GLY 259 Ca 0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1dm2 h GLY 259 CO 0.02 0.66 0.37 3.21 0.00 0.00 0.00 176.54 180.80 1dm2 h ARG 260 N 0.39 1.19 -0.35 4.80 3.08 -1.08 0.27 114.38 122.68 1dm2 h ARG 260 Ca 0.04 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1dm2 h ARG 260 Cb 0.83 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1dm2 h ARG 260 CO 0.07 0.93 0.23 1.03 -1.07 0.00 0.00 179.97 181.15 1dm2 h SER 261 N 1.17 0.39 -0.47 7.04 0.87 -0.92 -1.37 113.55 120.25 1dm2 h SER 261 Ca 0.28 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1dm2 h SER 261 Cb 0.15 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1dm2 h SER 261 CO -0.03 0.28 -0.06 0.25 -0.53 0.00 0.00 176.83 176.74 1dm2 h LEU 262 N 0.46 0.87 -0.50 2.23 5.85 -0.92 -2.96 115.31 120.34 1dm2 h LEU 262 Ca 0.13 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1dm2 h LEU 262 Cb -0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1dm2 h LEU 262 CO -0.04 1.00 0.13 0.25 -0.34 0.00 0.00 178.44 179.45 1dm2 h LEU 263 N 0.73 0.75 -1.23 2.25 5.85 -0.80 -2.43 115.31 120.44 1dm2 h LEU 263 Ca 0.13 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1dm2 h LEU 263 Cb 0.59 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1dm2 h LEU 263 CO 0.04 0.79 0.56 0.77 -0.34 0.00 0.00 178.44 180.25 1dm2 h SER 264 N 0.69 0.79 1.00 1.25 4.64 -1.22 -0.34 113.55 120.36 1dm2 h SER 264 Ca 0.16 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1dm2 h SER 264 Cb 0.32 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1dm2 h SER 264 CO 0.00 0.48 -0.36 1.56 -0.87 0.00 0.00 176.83 177.65 1dm2 h GLN 265 N 0.88 0.00 0.00 4.77 4.20 -1.33 -2.92 115.11 120.71 1dm2 h GLN 265 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1dm2 h GLN 265 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1dm2 h GLN 265 CO -0.15 0.36 -0.39 0.52 -0.67 0.00 0.00 178.83 178.49 1dm2 h MET 266 N 0.00 0.00 -0.45 1.46 2.86 -0.64 -2.01 114.93 116.15 1dm2 h MET 266 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1dm2 h MET 266 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1dm2 h MET 266 CO 0.05 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.30 1dm2 n LEU 267 N -2.73 4.69 -4.74 1.22 4.77 -0.40 -3.92 117.00 115.90 1dm2 n LEU 267 Ca 0.03 -2.84 -0.41 0.00 -0.03 0.00 0.00 56.01 52.76 1dm2 n LEU 267 Cb 0.51 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1dm2 n LEU 267 CO 0.36 0.68 1.10 -1.00 -1.33 0.00 0.00 177.39 177.20 1dm2 s HIS 268 N -2.55 3.06 0.10 -1.77 3.76 -1.15 -4.92 115.29 111.84 1dm2 s HIS 268 Ca 0.47 1.01 -0.24 0.00 -0.15 0.00 0.00 55.06 56.15 1dm2 s HIS 268 Cb 0.36 -3.80 -0.10 0.00 1.11 0.00 0.00 32.58 30.15 1dm2 s HIS 268 CO 0.14 -2.63 1.70 1.88 -0.85 0.00 0.00 174.74 174.98 1dm2 h TYR 269 N 5.34 -0.26 -2.47 1.40 0.05 -1.92 -3.41 116.97 115.70 1dm2 h TYR 269 Ca -0.45 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.76 1dm2 h TYR 269 Cb 1.22 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 39.04 1dm2 h TYR 269 CO 0.61 -0.16 1.33 0.34 -1.05 0.00 0.00 178.16 179.24 1dm2 s ASP 270 N -5.03 5.74 0.58 3.88 -1.08 -1.26 -4.87 116.67 114.62 1dm2 s ASP 270 Ca -0.14 1.36 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 1dm2 s ASP 270 Cb 0.07 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.47 1dm2 s ASP 270 CO 0.66 -1.82 1.88 -0.65 0.52 0.00 0.00 175.17 175.76 1dm2 h PRO 271 N 13.57 0.00 -0.00 4.34 0.11 -1.96 0.25 132.00 148.31 1dm2 h PRO 271 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1dm2 h PRO 271 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm2 h PRO 271 CO 1.03 0.00 -0.30 -1.71 -0.21 0.00 0.00 178.00 176.81 1dm2 n ASN 272 N -3.82 0.62 -0.07 -2.05 2.85 -1.26 -3.51 115.26 108.01 1dm2 n ASN 272 Ca 0.11 -0.45 -0.04 0.00 -0.11 0.00 0.00 54.58 54.08 1dm2 n ASN 272 Cb 0.75 0.08 -0.16 0.00 1.24 0.00 0.00 39.78 41.69 1dm2 n ASN 272 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1dm2 n LYS 273 N -1.12 0.73 -1.68 1.20 4.76 0.75 -4.97 118.16 117.83 1dm2 n LYS 273 Ca 0.10 -0.06 -0.44 0.00 -2.87 0.00 0.00 58.31 55.04 1dm2 n LYS 273 Cb 0.33 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 1dm2 n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1dm2 n ARG 274 N -2.60 2.09 -1.91 1.97 0.63 -0.43 -4.91 116.66 111.50 1dm2 n ARG 274 Ca -0.25 0.74 -0.40 0.00 -0.92 0.00 0.00 57.85 57.02 1dm2 n ARG 274 Cb 0.99 -2.38 -0.00 0.00 0.45 0.00 0.00 32.46 31.52 1dm2 n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1dm2 s ILE 275 N -0.36 2.28 0.58 5.15 2.07 -0.76 -5.00 121.20 125.16 1dm2 s ILE 275 Ca 0.64 0.27 -0.08 0.00 -1.41 0.00 0.00 60.65 60.07 1dm2 s ILE 275 Cb -0.62 -3.17 -0.02 0.00 0.13 0.00 0.00 42.46 38.78 1dm2 s ILE 275 CO 0.53 0.06 0.94 -0.94 -1.91 0.00 0.00 174.94 173.62 1dm2 s SER 276 N -0.38 6.02 0.09 4.50 1.04 -1.26 -4.89 113.70 118.82 1dm2 s SER 276 Ca 0.54 1.09 -0.24 0.00 0.48 0.00 0.00 55.95 57.83 1dm2 s SER 276 Cb -0.43 -2.19 -0.15 0.00 0.10 0.00 0.00 66.02 63.35 1dm2 s SER 276 CO 0.58 -0.87 1.73 0.00 0.98 0.00 0.00 173.24 175.65 1dm2 h ALA 277 N -0.16 -0.09 -0.11 5.32 0.00 -1.94 0.12 119.26 122.40 1dm2 h ALA 277 Ca -0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1dm2 h ALA 277 Cb 1.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1dm2 h ALA 277 CO 0.62 -0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.05 1dm2 h LYS 278 N -0.10 -0.03 -0.50 0.00 1.63 -1.92 -2.01 116.57 113.64 1dm2 h LYS 278 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1dm2 h LYS 278 Cb 0.08 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1dm2 h LYS 278 CO 0.00 -0.02 0.18 0.00 -3.45 0.00 0.00 179.45 176.16 1dm2 h ALA 279 N 1.07 1.37 -0.93 5.00 0.00 -1.92 -2.37 119.26 121.48 1dm2 h ALA 279 Ca 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1dm2 h ALA 279 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1dm2 h ALA 279 CO -0.13 0.47 0.61 0.00 0.00 0.00 0.00 179.25 180.20 1dm2 h ALA 280 N 1.47 1.36 0.00 0.00 0.00 -0.09 -1.14 119.26 120.85 1dm2 h ALA 280 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dm2 h ALA 280 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dm2 h ALA 280 CO -0.01 0.59 0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1dm2 h LEU 281 N 1.23 0.00 -2.24 0.00 3.38 -0.83 -1.37 115.31 115.48 1dm2 h LEU 281 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1dm2 h LEU 281 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1dm2 h LEU 281 CO -0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.45 1dm2 n ALA 282 N -1.83 2.43 -1.77 1.53 0.00 -0.43 -4.87 120.51 115.57 1dm2 n ALA 282 Ca -0.02 -0.93 -0.39 0.00 0.00 0.00 0.00 53.44 52.10 1dm2 n ALA 282 Cb 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1dm2 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1dm2 s HIS 283 N -1.60 3.18 0.64 0.00 5.04 -0.52 -4.90 115.29 117.12 1dm2 s HIS 283 Ca 0.36 1.55 0.27 0.00 -1.54 0.00 0.00 55.06 55.70 1dm2 s HIS 283 Cb 0.22 -3.45 1.39 0.00 0.04 0.00 0.00 32.58 30.78 1dm2 s HIS 283 CO 0.31 -1.30 1.80 -1.35 -2.34 0.00 0.00 174.74 171.86 1dm2 h PRO 284 N 3.11 0.00 -0.50 2.88 0.11 -1.93 -1.87 132.00 133.81 1dm2 h PRO 284 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1dm2 h PRO 284 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1dm2 h PRO 284 CO 0.64 0.00 0.35 0.35 -0.21 0.00 0.00 178.00 179.13 1dm2 h PHE 285 N 0.00 0.18 -0.53 0.65 3.57 -1.90 0.05 116.94 118.95 1dm2 h PHE 285 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1dm2 h PHE 285 Cb 1.08 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1dm2 h PHE 285 CO 0.00 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.35 1dm2 n PHE 286 N -4.44 1.37 -0.17 0.41 3.72 -0.70 -4.28 117.46 113.37 1dm2 n PHE 286 Ca 0.08 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1dm2 n PHE 286 Cb 0.46 -0.27 0.26 0.00 -0.94 0.00 0.00 39.48 38.99 1dm2 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1dm2 h GLN 287 N 3.42 0.90 -0.17 -1.08 4.15 -1.13 -2.84 115.11 118.36 1dm2 h GLN 287 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1dm2 h GLN 287 Cb 1.37 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1dm2 h GLN 287 CO 0.25 0.64 -0.02 -0.40 -1.93 0.00 0.00 178.83 177.36 1dm2 n ASP 288 N -4.40 3.19 -4.70 -0.69 5.75 -1.26 -5.05 116.55 109.39 1dm2 n ASP 288 Ca 0.07 -3.13 -0.40 0.00 -0.01 0.00 0.00 54.79 51.32 1dm2 n ASP 288 Cb 0.07 -0.51 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1dm2 n ASP 288 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1dm2 n VAL 289 N -0.90 2.96 -4.31 2.12 3.14 -1.07 -5.01 118.33 115.25 1dm2 n VAL 289 Ca 0.20 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.89 1dm2 n VAL 289 Cb 0.82 -1.56 -0.07 0.00 -1.06 0.00 0.00 33.84 31.96 1dm2 n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1dm2 n THR 290 N -0.54 0.00 -3.54 1.55 -2.24 -1.26 -5.08 114.28 103.17 1dm2 n THR 290 Ca 0.08 -2.32 -0.27 0.00 -2.27 0.00 0.00 64.05 59.27 1dm2 n THR 290 Cb 0.42 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 1dm2 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1dm2 n LYS 291 N -0.66 2.01 -1.40 -0.78 4.81 -1.26 -4.35 118.16 116.52 1dm2 n LYS 291 Ca 0.05 -4.39 -0.30 0.00 -0.87 0.00 0.00 58.31 52.79 1dm2 n LYS 291 Cb 0.58 -2.13 0.09 0.00 0.02 0.00 0.00 35.03 33.59 1dm2 n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1dm2 s PRO 292 N -1.91 2.15 -0.09 1.64 0.04 -1.26 -4.98 135.00 130.59 1dm2 s PRO 292 Ca 0.35 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1dm2 s PRO 292 Cb 0.09 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1dm2 s PRO 292 CO -0.08 -1.64 -0.03 0.14 0.04 0.00 0.00 177.00 175.44 1dm2 s VAL 293 N -3.01 4.05 0.59 -0.36 -7.23 -1.26 -4.53 120.40 108.65 1dm2 s VAL 293 Ca 0.61 -0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 1dm2 s VAL 293 Cb -0.16 -2.71 0.15 0.00 0.56 0.00 0.00 36.38 34.23 1dm2 s VAL 293 CO 0.55 0.58 0.46 -0.81 -0.31 0.00 0.00 175.10 175.58 1dm2 n PRO 294 N 2.45 -2.40 -3.46 4.82 -0.04 -1.26 -4.96 135.00 130.15 1dm2 n PRO 294 Ca -0.18 -0.75 -0.26 0.00 -0.04 0.00 0.00 63.50 62.27 1dm2 n PRO 294 Cb 0.53 -0.78 -0.09 0.00 -0.04 0.00 0.00 33.50 33.12 1dm2 n PRO 294 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1dm2 n HIS 295 N -3.79 0.92 -3.00 0.54 -0.00 -1.26 -4.98 115.22 103.64 1dm2 n HIS 295 Ca 0.07 -3.74 -0.35 0.00 0.46 0.00 0.00 57.72 54.16 1dm2 n HIS 295 Cb 0.27 -0.23 -0.06 0.00 -0.12 0.00 0.00 29.99 29.85 1dm2 n HIS 295 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1dm2 s LEU 296 N -1.03 4.22 -0.94 0.27 1.43 -1.26 -5.03 118.68 116.35 1dm2 s LEU 296 Ca 0.33 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 1dm2 s LEU 296 Cb 0.07 -3.92 0.23 0.00 0.03 0.00 0.00 46.19 42.60 1dm2 s LEU 296 CO -0.14 -0.10 0.86 -0.60 0.23 0.00 0.00 176.35 176.60 1dm2 s ARG 297 N -2.39 3.52 0.00 1.70 3.52 -1.26 -5.12 118.95 118.92 1dm2 s ARG 297 Ca 0.50 -3.19 0.31 0.00 -0.13 0.00 0.00 55.73 53.21 1dm2 s ARG 297 Cb -0.14 -4.13 1.71 0.00 -1.56 0.00 0.00 34.95 30.82 1dm2 s ARG 297 CO 0.20 -1.25 2.12 1.28 -0.81 0.00 0.00 175.30 176.83