#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s97 s ILE 2 N 0.00 2.17 -0.10 1.12 1.01 -1.26 -4.37 121.20 119.77 1s97 s ILE 2 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1s97 s ILE 2 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1s97 s ILE 2 CO 0.00 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.73 1s97 s VAL 3 N 1.29 3.85 -0.16 2.92 1.01 -0.46 -1.69 120.40 127.15 1s97 s VAL 3 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1s97 s VAL 3 Cb -0.13 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1s97 s VAL 3 CO -0.12 0.56 -0.19 -0.22 0.00 0.00 0.00 175.10 175.13 1s97 s LEU 4 N -0.36 2.03 -0.08 3.92 0.20 -0.18 -2.13 118.68 122.08 1s97 s LEU 4 Ca 0.06 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.28 1s97 s LEU 4 Cb -0.12 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.21 1s97 s LEU 4 CO 0.02 0.01 -0.08 0.12 -0.29 0.00 0.00 176.35 176.13 1s97 s PHE 5 N 1.17 2.89 -0.03 5.38 5.36 0.86 -0.51 117.98 133.11 1s97 s PHE 5 Ca 0.01 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 55.92 1s97 s PHE 5 Cb -0.14 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1s97 s PHE 5 CO -0.09 0.21 -0.17 0.54 -1.46 0.00 0.00 175.22 174.25 1s97 s VAL 6 N -0.56 1.40 -0.09 3.12 0.11 -0.60 0.00 120.40 123.79 1s97 s VAL 6 Ca 0.08 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1s97 s VAL 6 Cb -0.12 -1.19 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1s97 s VAL 6 CO 0.02 0.40 0.02 -0.62 -3.33 0.00 0.00 175.10 171.59 1s97 s ASP 7 N -0.12 1.72 0.16 3.54 3.68 -0.55 -1.50 116.67 123.61 1s97 s ASP 7 Ca 0.00 -0.17 -0.30 0.00 2.13 0.00 0.00 52.55 54.20 1s97 s ASP 7 Cb -0.10 -0.41 -0.08 0.00 -1.45 0.00 0.00 42.92 40.88 1s97 s ASP 7 CO 0.01 -0.22 1.32 -0.36 0.13 0.00 0.00 175.17 176.05 1s97 s PHE 8 N 1.99 3.27 0.12 -5.34 0.08 0.18 -0.63 117.98 117.67 1s97 s PHE 8 Ca 0.04 1.15 -0.31 0.00 0.12 0.00 0.00 56.93 57.93 1s97 s PHE 8 Cb -0.13 -3.61 -0.08 0.00 -0.57 0.00 0.00 43.02 38.63 1s97 s PHE 8 CO -0.05 -1.96 1.38 -0.51 -0.10 0.00 0.00 175.22 173.97 1s97 s ASP 9 N 0.61 6.83 -0.13 1.36 1.01 -0.96 -3.84 116.67 121.56 1s97 s ASP 9 Ca 0.59 2.33 -0.01 0.00 0.71 0.00 0.00 52.55 56.18 1s97 s ASP 9 Cb -0.36 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 40.98 1s97 s ASP 9 CO 0.35 -0.64 0.02 0.00 0.21 0.00 0.00 175.17 175.10 1s97 n TYR 10 N 3.82 -0.11 -0.20 4.23 0.18 -1.26 -4.53 117.16 119.29 1s97 n TYR 10 Ca 0.11 0.04 -0.05 0.00 1.88 0.00 0.00 57.90 59.88 1s97 n TYR 10 Cb 0.42 -0.24 -0.05 0.00 -0.38 0.00 0.00 39.34 39.09 1s97 n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s97 n PHE 11 N -1.31 -0.21 -0.20 -3.48 7.35 -1.25 -0.88 117.46 117.48 1s97 n PHE 11 Ca -0.02 0.59 -0.01 0.00 -0.76 0.00 0.00 57.45 57.24 1s97 n PHE 11 Cb 0.06 -0.49 0.10 0.00 0.35 0.00 0.00 39.48 39.50 1s97 n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1s97 h TYR 12 N 0.00 0.46 -0.46 -5.13 0.05 -1.95 0.51 116.97 110.45 1s97 h TYR 12 Ca 0.08 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 1s97 h TYR 12 Cb 0.19 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1s97 h TYR 12 CO -0.75 0.16 0.05 0.00 -1.05 0.00 0.00 178.16 176.58 1s97 h ALA 13 N 1.39 0.62 0.00 3.88 0.00 -1.66 -2.77 119.26 120.71 1s97 h ALA 13 Ca 0.30 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s97 h ALA 13 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s97 h ALA 13 CO -0.26 0.36 -0.22 0.37 0.00 0.00 0.00 179.25 179.50 1s97 h GLN 14 N 0.64 0.00 -0.32 0.00 4.15 -0.01 -2.13 115.11 117.44 1s97 h GLN 14 Ca 0.14 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.38 1s97 h GLN 14 Cb 0.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1s97 h GLN 14 CO 0.01 0.22 -0.48 0.28 -1.93 0.00 0.00 178.83 176.93 1s97 h VAL 15 N 0.00 1.27 -0.55 2.39 2.07 -0.70 -1.47 116.25 119.26 1s97 h VAL 15 Ca -0.00 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1s97 h VAL 15 Cb 0.48 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1s97 h VAL 15 CO 0.03 0.55 0.13 -0.33 0.02 0.00 0.00 177.57 177.97 1s97 h GLU 16 N 0.70 0.85 -0.54 1.57 4.39 -1.16 -2.18 114.58 118.21 1s97 h GLU 16 Ca 0.03 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 1s97 h GLU 16 Cb 1.08 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1s97 h GLU 16 CO 0.11 0.77 -0.06 0.93 -1.16 0.00 0.00 179.01 179.60 1s97 h GLU 17 N 0.82 0.99 -0.78 2.33 5.08 -1.19 0.05 114.58 121.89 1s97 h GLU 17 Ca 0.18 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1s97 h GLU 17 Cb 0.30 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1s97 h GLU 17 CO -0.00 1.02 0.38 0.28 -1.00 0.00 0.00 179.01 179.69 1s97 h VAL 18 N 0.87 1.25 0.00 3.13 2.07 -0.84 -1.67 116.25 121.06 1s97 h VAL 18 Ca 0.15 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1s97 h VAL 18 Cb 0.61 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1s97 h VAL 18 CO 0.04 0.29 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1s97 h LEU 19 N 1.10 0.00 -6.05 2.57 3.38 -1.26 -3.38 115.31 111.67 1s97 h LEU 19 Ca 0.27 -0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.70 1s97 h LEU 19 Cb 0.12 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.50 1s97 h LEU 19 CO -0.03 0.00 -1.00 -3.20 0.09 0.00 0.00 178.44 174.30 1s97 n ASN 20 N -2.53 -0.44 0.09 -0.43 2.85 -0.01 -5.00 115.26 109.79 1s97 n ASN 20 Ca 0.05 -2.60 0.20 0.00 -0.11 0.00 0.00 54.58 52.12 1s97 n ASN 20 Cb 0.46 -0.36 0.65 0.00 1.24 0.00 0.00 39.78 41.78 1s97 n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s97 h PRO 21 N 4.72 0.00 0.00 1.20 0.11 -1.51 0.89 132.00 137.42 1s97 h PRO 21 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1s97 h PRO 21 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1s97 h PRO 21 CO 0.40 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 1s97 n SER 22 N -3.39 0.00 0.06 -2.05 3.41 -1.26 -1.32 113.62 109.07 1s97 n SER 22 Ca 0.08 -0.25 -0.01 0.00 -0.26 0.00 0.00 58.87 58.43 1s97 n SER 22 Cb 0.78 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1s97 n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s97 h LEU 23 N 0.00 0.00 -9.43 1.04 3.38 -1.12 -3.46 115.31 105.73 1s97 h LEU 23 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1s97 h LEU 23 Cb 0.07 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.91 1s97 h LEU 23 CO 0.00 0.64 0.27 0.29 0.09 0.00 0.00 178.44 179.73 1s97 n LYS 24 N -3.04 1.38 0.00 1.13 4.76 -0.44 -1.13 118.16 120.82 1s97 n LYS 24 Ca -0.06 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1s97 n LYS 24 Cb 0.84 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1s97 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s97 n GLY 25 N 1.72 2.90 3.90 0.72 0.00 -1.26 -5.01 105.19 108.15 1s97 n GLY 25 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1s97 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s97 s LYS 26 N -0.15 3.65 0.10 1.61 1.02 -0.28 -5.02 119.74 120.67 1s97 s LYS 26 Ca 0.00 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.72 1s97 s LYS 26 Cb 0.00 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1s97 s LYS 26 CO 0.00 0.23 1.00 -1.25 -0.92 0.00 0.00 175.35 174.41 1s97 s PRO 27 N -3.45 4.65 -0.05 -1.68 0.04 -1.26 -4.85 135.00 128.39 1s97 s PRO 27 Ca 0.44 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.05 1s97 s PRO 27 Cb -0.11 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1s97 s PRO 27 CO 0.29 0.13 -0.24 0.08 0.04 0.00 0.00 177.00 177.30 1s97 s VAL 28 N 0.15 2.12 -0.24 -0.36 1.01 -1.26 -2.06 120.40 119.75 1s97 s VAL 28 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1s97 s VAL 28 Cb -0.24 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.44 1s97 s VAL 28 CO 0.30 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 175.26 1s97 s VAL 29 N -0.22 1.39 -0.12 2.92 1.01 -0.16 -1.96 120.40 123.26 1s97 s VAL 29 Ca -0.02 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.50 1s97 s VAL 29 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1s97 s VAL 29 CO 0.03 -0.19 0.78 -0.69 0.00 0.00 0.00 175.10 175.03 1s97 s VAL 30 N 1.44 4.95 0.34 2.92 1.01 0.33 -1.31 120.40 130.07 1s97 s VAL 30 Ca -0.03 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.60 1s97 s VAL 30 Cb -0.19 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1s97 s VAL 30 CO -0.08 0.12 -0.07 0.00 0.00 0.00 0.00 175.10 175.07 1s97 s VAL 32 N -2.74 3.35 -0.52 0.00 1.01 -0.13 -0.70 120.40 120.68 1s97 s VAL 32 Ca 0.32 -2.06 -0.28 0.00 0.00 0.00 0.00 61.98 59.96 1s97 s VAL 32 Cb 0.04 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1s97 s VAL 32 CO 0.16 -0.70 1.36 -0.36 0.00 0.00 0.00 175.10 175.55 1s97 s PHE 33 N 1.13 2.41 0.18 5.22 0.08 -1.26 -2.71 117.98 123.03 1s97 s PHE 33 Ca 0.08 0.54 -0.15 0.00 0.12 0.00 0.00 56.93 57.53 1s97 s PHE 33 Cb -0.23 -4.39 0.16 0.00 -0.57 0.00 0.00 43.02 37.98 1s97 s PHE 33 CO -0.04 -1.85 1.67 1.03 -0.10 0.00 0.00 175.22 175.92 1s97 h SER 34 N 10.59 -0.34 0.00 1.36 0.87 0.52 -3.47 113.55 123.08 1s97 h SER 34 Ca -0.26 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1s97 h SER 34 Cb 1.09 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1s97 h SER 34 CO 1.15 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 1s97 n GLY 35 N -1.33 0.72 0.04 5.77 0.00 -1.26 -4.79 105.19 104.34 1s97 n GLY 35 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1s97 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s97 n ARG 36 N -2.08 0.11 -3.44 1.61 1.74 -1.26 -4.75 116.66 108.60 1s97 n ARG 36 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1s97 n ARG 36 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1s97 n ARG 36 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1s97 n PHE 37 N -1.78 0.00 -1.57 -1.55 1.16 -1.26 -4.96 117.46 107.49 1s97 n PHE 37 Ca 0.06 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.17 1s97 n PHE 37 Cb 0.38 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.20 1s97 n PHE 37 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1s97 n GLU 38 N -0.22 1.76 -3.48 3.97 -0.58 -1.26 -1.79 120.64 119.03 1s97 n GLU 38 Ca 0.00 0.54 -0.20 0.00 -0.42 0.00 0.00 57.16 57.07 1s97 n GLU 38 Cb 0.00 -2.84 0.08 0.00 -0.57 0.00 0.00 31.44 28.11 1s97 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s97 n ASP 39 N 9.79 -4.66 -4.76 1.62 8.00 -1.26 -4.98 116.55 120.30 1s97 n ASP 39 Ca 0.32 -0.55 -0.39 0.00 0.71 0.00 0.00 54.79 54.88 1s97 n ASP 39 Cb 0.34 -4.88 -0.05 0.00 -0.02 0.00 0.00 41.12 36.51 1s97 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1s97 s SER 40 N -3.68 7.12 0.00 -2.24 0.15 -0.74 -3.97 113.70 110.35 1s97 s SER 40 Ca 0.35 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1s97 s SER 40 Cb -0.16 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1s97 s SER 40 CO 0.70 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.85 1s97 n GLY 41 N 2.25 0.82 3.35 9.45 0.00 -1.26 0.12 105.19 119.92 1s97 n GLY 41 Ca -0.05 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 1s97 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s97 s ALA 42 N -1.22 2.07 0.18 4.61 0.00 -1.10 0.07 121.76 126.37 1s97 s ALA 42 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 1s97 s ALA 42 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1s97 s ALA 42 CO 0.00 0.11 1.06 0.08 0.00 0.00 0.00 175.76 177.02 1s97 s VAL 43 N -2.78 3.95 -0.20 0.00 1.01 -0.38 -0.96 120.40 121.05 1s97 s VAL 43 Ca 0.22 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.90 1s97 s VAL 43 Cb -0.02 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 1s97 s VAL 43 CO 0.07 0.31 0.04 0.00 0.00 0.00 0.00 175.10 175.52 1s97 n ALA 44 N 2.27 1.21 -3.58 5.51 0.00 0.67 -0.97 120.51 125.63 1s97 n ALA 44 Ca 0.02 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1s97 n ALA 44 Cb 0.47 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1s97 n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s97 s THR 45 N -2.54 0.00 0.04 0.00 2.01 -1.07 -4.61 115.64 109.47 1s97 s THR 45 Ca -0.29 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1s97 s THR 45 Cb 0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1s97 s THR 45 CO 0.68 0.00 -0.05 0.00 -0.69 0.00 0.00 174.62 174.56 1s97 s ALA 46 N -0.81 0.48 0.83 7.40 0.00 -1.26 -0.51 121.76 127.89 1s97 s ALA 46 Ca -0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1s97 s ALA 46 Cb -0.01 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.33 1s97 s ALA 46 CO 0.03 -0.15 1.15 0.54 0.00 0.00 0.00 175.76 177.32 1s97 s ASN 47 N -1.97 4.26 0.49 0.00 2.20 -0.83 -4.75 114.94 114.35 1s97 s ASN 47 Ca -0.06 0.92 0.21 0.00 -0.94 0.00 0.00 52.86 52.99 1s97 s ASN 47 Cb -0.05 -1.49 1.27 0.00 -2.00 0.00 0.00 41.25 38.98 1s97 s ASN 47 CO -0.02 -2.07 2.06 1.88 -2.94 0.00 0.00 177.10 176.00 1s97 h TYR 48 N -1.17 0.00 -0.85 1.54 -1.99 -1.96 0.38 116.97 112.93 1s97 h TYR 48 Ca -0.47 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.30 1s97 h TYR 48 Cb 1.32 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.00 1s97 h TYR 48 CO 0.34 0.13 0.56 1.49 -0.00 0.00 0.00 178.16 180.67 1s97 h GLU 49 N 0.00 1.01 0.00 4.88 4.57 -1.92 -0.50 114.58 122.61 1s97 h GLU 49 Ca -0.00 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 1s97 h GLU 49 Cb 0.27 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1s97 h GLU 49 CO 0.02 0.67 -1.73 0.00 -1.18 0.00 0.00 179.01 176.78 1s97 n ALA 50 N -2.41 2.36 -0.17 2.92 0.00 -0.80 -4.23 120.51 118.18 1s97 n ALA 50 Ca 0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 1s97 n ALA 50 Cb 0.13 -0.78 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1s97 n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1s97 h ARG 51 N 0.00 0.98 0.00 0.00 9.65 0.34 -2.66 114.38 122.68 1s97 h ARG 51 Ca -0.12 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1s97 h ARG 51 Cb 1.32 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1s97 h ARG 51 CO 0.01 0.99 0.00 1.57 2.80 0.00 0.00 179.97 185.34 1s97 h LYS 52 N 0.89 0.00 -0.46 0.20 2.10 -1.28 -1.91 116.57 116.11 1s97 h LYS 52 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1s97 h LYS 52 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1s97 h LYS 52 CO 0.03 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.67 1s97 n PHE 53 N -2.53 0.61 0.00 0.07 3.72 -1.11 -4.97 117.46 113.25 1s97 n PHE 53 Ca -0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1s97 n PHE 53 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1s97 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s97 n GLY 54 N 1.22 0.38 3.55 1.37 0.00 -0.72 -4.99 105.19 106.01 1s97 n GLY 54 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1s97 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s97 s VAL 55 N -2.00 3.74 0.15 1.61 1.01 -1.02 -4.94 120.40 118.94 1s97 s VAL 55 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1s97 s VAL 55 Cb 0.00 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1s97 s VAL 55 CO 0.00 -1.73 -0.15 -1.59 0.00 0.00 0.00 175.10 171.62 1s97 s LYS 56 N 5.69 1.14 0.46 2.72 -2.85 -1.26 -3.90 119.74 121.74 1s97 s LYS 56 Ca 0.44 -1.34 -0.21 0.00 -1.00 0.00 0.00 55.97 53.86 1s97 s LYS 56 Cb -0.06 -1.06 -0.12 0.00 -2.06 0.00 0.00 37.83 34.54 1s97 s LYS 56 CO 0.06 0.20 0.53 0.00 0.10 0.00 0.00 175.35 176.24 1s97 n ALA 57 N 0.34 -1.40 0.00 0.59 0.00 -1.26 -2.82 120.51 115.95 1s97 n ALA 57 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1s97 n ALA 57 Cb 0.57 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1s97 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s97 n GLY 58 N 1.79 3.06 3.82 0.00 0.00 -0.14 -4.95 105.19 108.76 1s97 n GLY 58 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1s97 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s97 s ILE 59 N -2.15 4.45 0.35 -0.61 -4.36 -1.13 -4.71 121.20 113.03 1s97 s ILE 59 Ca 0.00 1.38 -0.27 0.00 -0.26 0.00 0.00 60.65 61.49 1s97 s ILE 59 Cb 0.00 -3.63 -0.12 0.00 1.25 0.00 0.00 42.46 39.96 1s97 s ILE 59 CO 0.00 -0.25 1.21 -2.65 0.24 0.00 0.00 174.94 173.48 1s97 n PRO 60 N -0.48 1.88 -0.30 0.37 -0.02 -1.26 -1.25 135.00 133.94 1s97 n PRO 60 Ca 0.06 0.66 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 1s97 n PRO 60 Cb 0.54 -2.21 0.22 0.00 -0.02 0.00 0.00 33.50 32.02 1s97 n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1s97 h ILE 61 N 2.29 1.14 -0.51 4.25 2.04 -0.62 -1.13 117.51 124.97 1s97 h ILE 61 Ca -0.45 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1s97 h ILE 61 Cb 1.30 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1s97 h ILE 61 CO 0.61 0.20 0.11 -0.37 0.00 0.00 0.00 178.15 178.70 1s97 h VAL 62 N 1.09 1.22 -0.77 1.67 -1.51 -1.80 -2.18 116.25 113.98 1s97 h VAL 62 Ca 0.36 -0.81 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 1s97 h VAL 62 Cb 0.05 0.71 -0.04 0.00 -2.13 0.00 0.00 31.29 29.88 1s97 h VAL 62 CO -0.11 0.30 0.43 -0.08 -1.23 0.00 0.00 177.57 176.88 1s97 h GLU 63 N 0.76 1.06 -0.26 5.19 4.57 -1.57 -1.35 114.58 122.98 1s97 h GLU 63 Ca 0.17 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1s97 h GLU 63 Cb 0.30 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1s97 h GLU 63 CO 0.00 0.77 -0.07 0.00 -1.18 0.00 0.00 179.01 178.53 1s97 h ALA 64 N 1.23 1.40 -0.57 2.92 0.00 -0.95 -2.43 119.26 120.85 1s97 h ALA 64 Ca 0.27 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s97 h ALA 64 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1s97 h ALA 64 CO -0.05 0.42 0.34 0.87 0.00 0.00 0.00 179.25 180.83 1s97 h LYS 65 N 0.39 0.65 -0.57 0.00 1.79 -0.67 0.12 116.57 118.28 1s97 h LYS 65 Ca 0.08 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1s97 h LYS 65 Cb 0.37 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 1s97 h LYS 65 CO 0.02 0.43 0.26 0.87 -1.08 0.00 0.00 179.45 179.95 1s97 h LYS 66 N 0.67 0.48 0.09 3.15 1.57 -0.92 -2.01 116.57 119.58 1s97 h LYS 66 Ca 0.23 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1s97 h LYS 66 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1s97 h LYS 66 CO -0.11 0.31 -0.04 0.82 -0.57 0.00 0.00 179.45 179.86 1s97 h ILE 67 N 0.49 0.90 -2.17 1.86 2.04 -1.37 -3.40 117.51 115.85 1s97 h ILE 67 Ca 0.27 -1.41 -0.59 0.00 1.00 0.00 0.00 64.86 64.13 1s97 h ILE 67 Cb 0.24 1.60 -0.42 0.00 -0.74 0.00 0.00 36.82 37.51 1s97 h ILE 67 CO -0.22 0.27 -0.69 0.18 0.00 0.00 0.00 178.15 177.69 1s97 n LEU 68 N -4.81 3.29 0.23 1.44 7.99 -0.01 -4.93 117.00 120.19 1s97 n LEU 68 Ca -0.07 -5.36 0.17 0.00 -0.01 0.00 0.00 56.01 50.74 1s97 n LEU 68 Cb 0.26 -0.44 0.77 0.00 -0.11 0.00 0.00 43.42 43.90 1s97 n LEU 68 CO 0.22 2.11 1.15 1.55 -1.51 0.00 0.00 177.39 180.90 1s97 h PRO 69 N 3.96 0.00 -0.53 3.23 0.13 -1.55 -0.50 132.00 136.75 1s97 h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1s97 h PRO 69 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1s97 h PRO 69 CO 0.78 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 1s97 n ASN 70 N -3.24 4.12 -4.81 1.44 3.02 -1.26 -4.98 115.26 109.54 1s97 n ASN 70 Ca 0.02 -2.38 -0.31 0.00 -0.03 0.00 0.00 54.58 51.88 1s97 n ASN 70 Cb 0.50 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1s97 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s97 s ALA 71 N -1.70 2.57 -0.26 5.41 0.00 -0.20 -4.95 121.76 122.63 1s97 s ALA 71 Ca 0.43 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1s97 s ALA 71 Cb 0.27 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1s97 s ALA 71 CO 0.21 -1.35 0.74 0.08 0.00 0.00 0.00 175.76 175.44 1s97 s VAL 72 N -3.06 4.89 -0.37 0.00 1.01 -0.88 -4.98 120.40 117.02 1s97 s VAL 72 Ca 0.59 1.29 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 1s97 s VAL 72 Cb -0.14 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1s97 s VAL 72 CO 0.55 -0.07 0.19 -0.31 0.00 0.00 0.00 175.10 175.46 1s97 s TYR 73 N 2.73 3.24 0.13 5.22 2.02 -1.26 -0.98 117.35 128.44 1s97 s TYR 73 Ca 0.31 -0.96 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1s97 s TYR 73 Cb -0.15 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 1s97 s TYR 73 CO 0.09 -0.64 0.07 -0.51 -1.57 0.00 0.00 175.55 173.00 1s97 s LEU 74 N 1.55 3.66 0.40 -1.29 1.43 -0.43 -4.97 118.68 119.03 1s97 s LEU 74 Ca 0.02 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1s97 s LEU 74 Cb -0.19 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.62 1s97 s LEU 74 CO 0.06 0.12 0.86 -2.16 0.23 0.00 0.00 176.35 175.46 1s97 s PRO 75 N -2.74 4.06 0.32 1.29 0.04 -1.26 -0.59 135.00 136.12 1s97 s PRO 75 Ca 0.29 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1s97 s PRO 75 Cb -0.11 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 1s97 s PRO 75 CO 0.21 0.00 1.47 -1.33 0.04 0.00 0.00 177.00 177.40 1s97 n MET 76 N -0.75 2.49 -3.18 4.56 2.81 0.13 -4.74 117.12 118.43 1s97 n MET 76 Ca 0.05 0.88 -0.22 0.00 -1.81 0.00 0.00 57.70 56.60 1s97 n MET 76 Cb 0.54 -2.58 -0.05 0.00 -0.71 0.00 0.00 33.22 30.41 1s97 n MET 76 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s97 n ARG 77 N 1.24 1.44 -0.27 0.03 1.74 -1.26 -4.98 116.66 114.59 1s97 n ARG 77 Ca 0.06 -3.72 -0.05 0.00 -0.77 0.00 0.00 57.85 53.37 1s97 n ARG 77 Cb 0.37 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1s97 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s97 h LYS 78 N 3.45 -0.11 -0.56 5.56 1.63 -1.99 -1.51 116.57 123.03 1s97 h LYS 78 Ca 0.11 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.03 1s97 h LYS 78 Cb 0.83 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.38 1s97 h LYS 78 CO 0.58 -0.08 -0.15 0.93 -3.45 0.00 0.00 179.45 177.29 1s97 h GLU 79 N -0.12 -0.01 -0.81 1.90 3.07 -1.99 0.11 114.58 116.73 1s97 h GLU 79 Ca 0.25 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1s97 h GLU 79 Cb 0.56 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1s97 h GLU 79 CO -0.79 -0.01 0.35 0.28 -1.40 0.00 0.00 179.01 177.44 1s97 h VAL 80 N -0.01 1.26 -0.55 3.13 2.07 -1.73 -1.82 116.25 118.60 1s97 h VAL 80 Ca 0.27 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 1s97 h VAL 80 Cb 0.42 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1s97 h VAL 80 CO -0.58 0.33 -0.08 1.88 0.02 0.00 0.00 177.57 179.14 1s97 h TYR 81 N 1.17 1.15 -0.55 1.57 0.05 -0.64 -2.07 116.97 117.65 1s97 h TYR 81 Ca 0.27 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1s97 h TYR 81 Cb 0.18 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1s97 h TYR 81 CO 0.02 1.05 0.22 1.96 -1.05 0.00 0.00 178.16 180.36 1s97 h GLN 82 N 0.92 0.83 -0.66 4.88 1.08 -0.55 0.17 115.11 121.77 1s97 h GLN 82 Ca 0.15 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1s97 h GLN 82 Cb 0.65 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1s97 h GLN 82 CO 0.04 0.73 0.12 1.96 -0.95 0.00 0.00 178.83 180.73 1s97 h GLN 83 N 0.76 1.08 -0.22 1.46 4.20 -1.23 0.17 115.11 121.33 1s97 h GLN 83 Ca 0.18 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1s97 h GLN 83 Cb 0.21 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1s97 h GLN 83 CO -0.01 0.98 -0.20 0.28 -0.67 0.00 0.00 178.83 179.21 1s97 h VAL 84 N 1.02 1.24 -0.22 -0.54 2.07 -1.05 -2.71 116.25 116.05 1s97 h VAL 84 Ca 0.20 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1s97 h VAL 84 Cb 0.42 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1s97 h VAL 84 CO 0.01 0.34 -0.10 -1.28 0.02 0.00 0.00 177.57 176.56 1s97 h SER 85 N 0.35 0.47 -0.70 0.57 0.87 0.17 -2.79 113.55 112.49 1s97 h SER 85 Ca 0.06 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.29 1s97 h SER 85 Cb 0.55 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 1s97 h SER 85 CO 0.04 0.77 0.36 0.28 -0.53 0.00 0.00 176.83 177.74 1s97 h SER 86 N 0.16 0.48 -0.18 6.23 0.02 -0.49 0.19 113.55 119.97 1s97 h SER 86 Ca 0.05 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1s97 h SER 86 Cb 0.59 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1s97 h SER 86 CO 0.03 0.29 0.12 0.03 -1.14 0.00 0.00 176.83 176.16 1s97 h ARG 87 N 0.62 0.24 -0.74 3.45 3.08 -1.45 -0.40 114.38 119.19 1s97 h ARG 87 Ca 0.33 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1s97 h ARG 87 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1s97 h ARG 87 CO -0.24 0.16 0.36 0.82 -1.07 0.00 0.00 179.97 180.00 1s97 h ILE 88 N 0.24 1.24 -0.27 2.04 2.04 -1.00 -1.59 117.51 120.20 1s97 h ILE 88 Ca 0.07 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1s97 h ILE 88 Cb -0.02 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1s97 h ILE 88 CO -0.01 0.28 -0.01 0.24 0.00 0.00 0.00 178.15 178.64 1s97 h MET 89 N 1.03 0.41 -0.19 2.37 2.86 -0.36 -1.05 114.93 119.99 1s97 h MET 89 Ca 0.25 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1s97 h MET 89 Cb 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1s97 h MET 89 CO -0.03 0.45 -0.15 -0.91 1.06 0.00 0.00 176.91 177.32 1s97 h ASN 90 N 0.40 0.31 -0.30 1.22 2.35 -0.13 -1.77 115.58 117.65 1s97 h ASN 90 Ca 0.09 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1s97 h ASN 90 Cb 0.28 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1s97 h ASN 90 CO 0.01 0.49 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.80 1s97 h LEU 91 N 0.30 0.92 -0.64 1.61 3.38 -0.57 -3.16 115.31 117.15 1s97 h LEU 91 Ca 0.06 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1s97 h LEU 91 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1s97 h LEU 91 CO 0.03 1.21 -0.05 -0.07 0.09 0.00 0.00 178.44 179.65 1s97 h LEU 92 N 0.70 1.00 -2.34 1.67 3.38 -0.95 -2.15 115.31 116.62 1s97 h LEU 92 Ca 0.05 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1s97 h LEU 92 Cb 0.99 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1s97 h LEU 92 CO 0.10 1.08 0.21 0.03 0.09 0.00 0.00 178.44 179.95 1s97 h ARG 93 N 0.92 0.00 -0.06 1.13 3.08 -1.30 0.42 114.38 118.56 1s97 h ARG 93 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1s97 h ARG 93 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1s97 h ARG 93 CO 0.04 0.00 -0.38 1.49 -1.07 0.00 0.00 179.97 180.05 1s97 h GLU 94 N 0.00 0.12 0.00 0.04 4.57 -1.42 -3.13 114.58 114.76 1s97 h GLU 94 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1s97 h GLU 94 Cb 0.45 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1s97 h GLU 94 CO -0.00 0.48 -0.65 1.88 -1.18 0.00 0.00 179.01 179.54 1s97 h TYR 95 N 0.10 0.00 -1.56 0.92 0.05 -1.02 -3.47 116.97 112.00 1s97 h TYR 95 Ca 0.01 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.88 1s97 h TYR 95 Cb 0.72 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.19 1s97 h TYR 95 CO 0.01 0.00 0.42 0.45 -1.05 0.00 0.00 178.16 177.98 1s97 s SER 96 N -5.06 -0.48 0.21 3.88 0.15 -1.18 -4.99 113.70 106.22 1s97 s SER 96 Ca 0.04 0.83 0.11 0.00 0.70 0.00 0.00 55.95 57.63 1s97 s SER 96 Cb 0.10 1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 65.44 1s97 s SER 96 CO 0.74 -0.14 1.39 1.05 1.20 0.00 0.00 173.24 177.48 1s97 h GLU 97 N 5.29 0.00 -5.84 5.44 9.09 -1.89 -3.39 114.58 123.28 1s97 h GLU 97 Ca -0.28 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.52 1s97 h GLU 97 Cb 1.19 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.17 1s97 h GLU 97 CO 0.16 0.73 1.06 0.15 0.05 0.00 0.00 179.01 181.17 1s97 s LYS 98 N -2.90 3.39 -0.02 1.06 1.02 -1.26 -4.94 119.74 116.09 1s97 s LYS 98 Ca 0.02 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1s97 s LYS 98 Cb 0.09 -4.73 0.01 0.00 -0.52 0.00 0.00 37.83 32.68 1s97 s LYS 98 CO 0.78 -2.03 -0.02 -1.50 -0.92 0.00 0.00 175.35 171.66 1s97 s ILE 99 N 4.56 0.25 -0.30 2.17 2.07 -1.26 -1.68 121.20 127.02 1s97 s ILE 99 Ca 0.36 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.58 1s97 s ILE 99 Cb -0.06 -0.27 0.08 0.00 0.13 0.00 0.00 42.46 42.33 1s97 s ILE 99 CO 0.01 0.11 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.42 1s97 s GLU 100 N 0.42 1.88 -0.45 3.50 2.12 0.15 -4.17 118.70 122.15 1s97 s GLU 100 Ca -0.04 -1.61 -0.29 0.00 0.36 0.00 0.00 54.97 53.39 1s97 s GLU 100 Cb -0.07 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1s97 s GLU 100 CO -0.01 -0.75 1.16 0.42 -0.54 0.00 0.00 175.26 175.54 1s97 s ILE 101 N 1.01 4.20 0.04 -3.70 1.01 -1.26 0.36 121.20 122.86 1s97 s ILE 101 Ca 0.01 1.25 -0.10 0.00 0.00 0.00 0.00 60.65 61.80 1s97 s ILE 101 Cb -0.20 -4.54 -0.32 0.00 0.01 0.00 0.00 42.46 37.41 1s97 s ILE 101 CO -0.06 -0.92 1.04 0.00 0.00 0.00 0.00 174.94 174.99 1s97 h ALA 102 N 9.26 -0.03 -2.12 9.38 0.00 -1.42 -3.43 119.26 130.90 1s97 h ALA 102 Ca -0.23 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1s97 h ALA 102 Cb 1.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1s97 h ALA 102 CO 1.11 0.84 0.00 -1.13 0.00 0.00 0.00 179.25 180.07 1s97 n SER 103 N -3.63 0.00 0.23 0.00 3.41 -0.97 -4.96 113.62 107.70 1s97 n SER 103 Ca -0.14 -0.93 0.16 0.00 -0.26 0.00 0.00 58.87 57.70 1s97 n SER 103 Cb 1.07 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.78 1s97 n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s97 h ILE 104 N 0.93 0.00 0.00 -1.33 2.10 -2.01 -3.18 117.51 114.02 1s97 h ILE 104 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1s97 h ILE 104 Cb 0.00 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1s97 h ILE 104 CO 0.00 0.00 -0.14 -0.90 -1.08 0.00 0.00 178.15 176.03 1s97 n ASP 105 N -2.70 0.43 -4.01 2.19 5.68 -1.26 -4.80 116.55 112.07 1s97 n ASP 105 Ca -0.00 -1.55 -0.20 0.00 -0.50 0.00 0.00 54.79 52.53 1s97 n ASP 105 Cb 0.17 -0.08 -0.15 0.00 -1.14 0.00 0.00 41.12 39.91 1s97 n ASP 105 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1s97 s GLU 106 N -0.33 0.95 -0.13 0.11 2.02 -1.20 -0.64 118.70 119.47 1s97 s GLU 106 Ca 0.02 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1s97 s GLU 106 Cb 0.02 -0.89 0.03 0.00 0.10 0.00 0.00 34.13 33.39 1s97 s GLU 106 CO 0.00 0.14 0.35 0.00 0.02 0.00 0.00 175.26 175.77 1s97 s ALA 107 N 0.10 -0.87 -0.12 5.21 0.00 -0.56 -0.98 121.76 124.54 1s97 s ALA 107 Ca -0.02 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1s97 s ALA 107 Cb -0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1s97 s ALA 107 CO 0.00 -0.17 0.00 0.71 0.00 0.00 0.00 175.76 176.31 1s97 s TYR 108 N 0.16 3.15 -0.07 0.00 2.02 0.16 -1.55 117.35 121.21 1s97 s TYR 108 Ca -0.00 0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1s97 s TYR 108 Cb -0.02 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1s97 s TYR 108 CO 0.01 0.32 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.60 1s97 s LEU 109 N -0.43 1.93 -0.49 -1.29 1.02 0.34 0.32 118.68 120.07 1s97 s LEU 109 Ca 0.08 -0.44 -0.20 0.00 0.02 0.00 0.00 54.13 53.59 1s97 s LEU 109 Cb -0.12 -1.15 0.04 0.00 0.02 0.00 0.00 46.19 44.98 1s97 s LEU 109 CO 0.02 0.13 0.67 -0.62 0.02 0.00 0.00 176.35 176.58 1s97 s ASP 110 N 0.31 6.27 -0.33 2.29 -1.08 -0.68 -1.01 116.67 122.46 1s97 s ASP 110 Ca -0.13 -0.64 0.08 0.00 -0.52 0.00 0.00 52.55 51.35 1s97 s ASP 110 Cb -0.16 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.55 1s97 s ASP 110 CO 0.06 -0.90 1.61 2.30 0.52 0.00 0.00 175.17 178.75 1s97 n ILE 111 N 5.78 2.74 -0.20 4.11 -5.35 -0.68 -4.64 119.36 121.11 1s97 n ILE 111 Ca -0.04 -2.39 0.00 0.00 -0.27 0.00 0.00 62.75 60.05 1s97 n ILE 111 Cb 0.47 -0.36 0.24 0.00 -1.74 0.00 0.00 39.64 38.25 1s97 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s97 h SER 112 N 1.17 0.84 -0.35 7.28 0.02 -1.87 -1.47 113.55 119.17 1s97 h SER 112 Ca 0.32 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1s97 h SER 112 Cb 2.02 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1s97 h SER 112 CO 0.59 0.64 0.00 0.47 -1.14 0.00 0.00 176.83 177.39 1s97 n ASP 113 N -4.40 2.46 -0.06 3.07 8.00 -1.26 -4.00 116.55 120.35 1s97 n ASP 113 Ca 0.07 -1.90 -0.03 0.00 0.71 0.00 0.00 54.79 53.64 1s97 n ASP 113 Cb 0.06 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 1s97 n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s97 n LYS 114 N 0.84 1.00 -4.13 -1.24 4.76 -0.59 -5.01 118.16 113.79 1s97 n LYS 114 Ca 0.17 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1s97 n LYS 114 Cb 0.43 -1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 1s97 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s97 s VAL 115 N -2.67 0.69 -0.03 -0.18 -7.23 -0.99 -5.05 120.40 104.93 1s97 s VAL 115 Ca -0.08 -1.57 0.12 0.00 -1.81 0.00 0.00 61.98 58.64 1s97 s VAL 115 Cb 0.07 -1.24 -0.22 0.00 0.56 0.00 0.00 36.38 35.55 1s97 s VAL 115 CO 0.73 -0.64 0.73 0.03 -0.31 0.00 0.00 175.10 175.64 1s97 h ARG 116 N 3.63 0.00 0.00 4.82 3.08 -1.90 -3.45 114.38 120.55 1s97 h ARG 116 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1s97 h ARG 116 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1s97 h ARG 116 CO 0.54 0.52 0.00 -0.40 -1.07 0.00 0.00 179.97 179.56 1s97 n ASP 117 N -3.06 0.00 0.16 7.04 3.85 -1.26 -5.05 116.55 118.22 1s97 n ASP 117 Ca -0.15 -0.89 0.03 0.00 -0.71 0.00 0.00 54.79 53.07 1s97 n ASP 117 Cb 1.03 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.98 1s97 n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1s97 h TYR 118 N 0.89 0.00 -0.00 2.11 0.05 -1.98 -1.83 116.97 116.21 1s97 h TYR 118 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1s97 h TYR 118 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1s97 h TYR 118 CO 0.00 0.51 0.00 -0.09 -1.05 0.00 0.00 178.16 177.53 1s97 h ARG 119 N 0.00 0.00 -0.49 4.88 2.43 -1.99 0.22 114.38 119.44 1s97 h ARG 119 Ca -0.01 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1s97 h ARG 119 Cb 1.15 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1s97 h ARG 119 CO 0.07 0.17 -0.07 0.93 -1.51 0.00 0.00 179.97 179.56 1s97 h GLU 120 N -0.16 0.86 -0.72 0.20 5.08 -1.97 -1.55 114.58 116.32 1s97 h GLU 120 Ca 0.00 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1s97 h GLU 120 Cb 0.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1s97 h GLU 120 CO -0.00 0.90 0.46 0.00 -1.00 0.00 0.00 179.01 179.38 1s97 h ALA 121 N 1.14 0.92 -0.22 3.43 0.00 -1.02 0.12 119.26 123.63 1s97 h ALA 121 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1s97 h ALA 121 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1s97 h ALA 121 CO 0.03 0.29 0.11 -0.92 0.00 0.00 0.00 179.25 178.76 1s97 h TYR 122 N 0.93 0.30 -0.12 0.00 3.20 -0.13 -1.44 116.97 119.72 1s97 h TYR 122 Ca 0.27 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1s97 h TYR 122 Cb -0.05 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1s97 h TYR 122 CO -0.03 0.29 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.66 1s97 h ASN 123 N 0.23 0.20 -0.73 -2.11 2.35 -0.76 -1.06 115.58 113.69 1s97 h ASN 123 Ca 0.07 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1s97 h ASN 123 Cb 0.10 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1s97 h ASN 123 CO -0.01 0.42 0.24 0.25 -1.65 0.00 0.00 177.43 176.68 1s97 h LEU 124 N 0.19 1.05 -1.40 1.61 5.85 -0.45 -0.88 115.31 121.28 1s97 h LEU 124 Ca 0.03 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1s97 h LEU 124 Cb 0.49 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1s97 h LEU 124 CO 0.03 0.98 -0.06 1.23 -0.34 0.00 0.00 178.44 180.28 1s97 h GLY 125 N 1.07 0.35 1.52 3.75 0.00 -0.14 -1.46 103.07 108.16 1s97 h GLY 125 Ca 0.24 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1s97 h GLY 125 CO -0.01 0.19 -0.69 1.41 0.00 0.00 0.00 176.54 177.44 1s97 h LEU 126 N 0.32 0.56 -0.83 3.11 3.38 -0.53 -1.77 115.31 119.54 1s97 h LEU 126 Ca 0.07 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1s97 h LEU 126 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1s97 h LEU 126 CO 0.01 1.09 -0.07 -0.33 0.09 0.00 0.00 178.44 179.23 1s97 h GLU 127 N 0.34 0.80 -0.36 1.13 5.08 -0.66 -1.90 114.58 119.01 1s97 h GLU 127 Ca -0.02 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 1s97 h GLU 127 Cb 1.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1s97 h GLU 127 CO 0.12 0.85 -0.29 0.82 -1.00 0.00 0.00 179.01 179.52 1s97 h ILE 128 N 0.73 1.28 -0.41 3.13 2.04 -1.13 0.46 117.51 123.61 1s97 h ILE 128 Ca 0.13 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1s97 h ILE 128 Cb 0.55 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1s97 h ILE 128 CO 0.03 0.48 0.25 0.11 0.00 0.00 0.00 178.15 179.02 1s97 h LYS 129 N 0.63 0.55 -0.31 2.37 1.57 -1.18 -1.43 116.57 118.76 1s97 h LYS 129 Ca 0.07 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1s97 h LYS 129 Cb 0.86 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1s97 h LYS 129 CO 0.07 0.40 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.12 1s97 h ASN 130 N 0.54 0.71 0.37 0.86 -0.26 -1.27 -0.81 115.58 115.72 1s97 h ASN 130 Ca 0.15 -0.29 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1s97 h ASN 130 Cb -0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.06 1s97 h ASN 130 CO -0.03 0.98 -0.18 0.50 -1.06 0.00 0.00 177.43 177.64 1s97 h LYS 131 N 0.58 -0.48 -0.86 0.81 1.63 -0.61 -0.77 116.57 116.88 1s97 h LYS 131 Ca 0.06 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1s97 h LYS 131 Cb 0.83 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.53 1s97 h LYS 131 CO 0.07 -0.29 0.56 0.82 -3.45 0.00 0.00 179.45 177.16 1s97 h ILE 132 N -0.54 1.22 -0.87 2.00 2.04 -1.23 -1.54 117.51 118.60 1s97 h ILE 132 Ca -0.05 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1s97 h ILE 132 Cb 0.41 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1s97 h ILE 132 CO 0.08 0.22 0.57 0.25 0.00 0.00 0.00 178.15 179.27 1s97 h LEU 133 N 1.17 1.00 -0.09 1.44 5.85 -0.89 0.86 115.31 124.64 1s97 h LEU 133 Ca 0.31 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.77 1s97 h LEU 133 Cb -0.13 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.66 1s97 h LEU 133 CO -0.07 0.73 -1.03 1.05 -0.34 0.00 0.00 178.44 178.78 1s97 h GLU 134 N 1.18 0.36 0.02 1.25 4.11 -0.73 0.11 114.58 120.89 1s97 h GLU 134 Ca 0.32 -0.45 -0.11 0.00 0.07 0.00 0.00 59.36 59.19 1s97 h GLU 134 Cb -0.13 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1s97 h GLU 134 CO -0.07 1.13 -0.46 0.87 0.07 0.00 0.00 179.01 180.56 1s97 h LYS 135 N 0.18 0.27 -0.00 1.06 1.79 -1.18 -3.40 116.57 115.30 1s97 h LYS 135 Ca -0.10 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1s97 h LYS 135 Cb 1.69 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 1s97 h LYS 135 CO 0.17 1.05 -0.02 0.39 -1.08 0.00 0.00 179.45 179.96 1s97 n GLU 136 N -4.34 1.78 -3.37 3.15 -0.58 0.27 -5.02 120.64 112.53 1s97 n GLU 136 Ca -0.11 -0.39 -0.24 0.00 -0.42 0.00 0.00 57.16 56.00 1s97 n GLU 136 Cb 0.62 -0.87 0.05 0.00 -0.57 0.00 0.00 31.44 30.67 1s97 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s97 n LYS 137 N -0.30 -5.96 -5.18 3.49 4.76 0.39 -4.98 118.16 110.38 1s97 n LYS 137 Ca 0.01 0.81 -0.32 0.00 -2.87 0.00 0.00 58.31 55.93 1s97 n LYS 137 Cb 0.03 -5.73 -0.16 0.00 -1.84 0.00 0.00 35.03 27.33 1s97 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s97 s ILE 138 N -3.22 2.23 0.18 -0.18 1.01 -1.25 -4.92 121.20 115.04 1s97 s ILE 138 Ca 0.46 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1s97 s ILE 138 Cb -0.21 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 1s97 s ILE 138 CO 0.57 0.57 0.45 0.42 0.00 0.00 0.00 174.94 176.94 1s97 s THR 139 N -0.08 5.07 0.09 2.92 -4.23 -1.26 -3.79 115.64 114.36 1s97 s THR 139 Ca -0.06 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 1s97 s THR 139 Cb -0.14 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1s97 s THR 139 CO 0.04 -0.01 0.09 0.68 -0.54 0.00 0.00 174.62 174.89 1s97 s VAL 140 N -1.72 0.16 -0.10 2.29 -7.23 -1.26 -2.27 120.40 110.26 1s97 s VAL 140 Ca 0.44 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1s97 s VAL 140 Cb -0.12 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 1s97 s VAL 140 CO 0.23 -0.70 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.38 1s97 s THR 141 N -3.93 3.91 -0.18 5.32 2.01 0.20 -3.97 115.64 119.01 1s97 s THR 141 Ca 0.11 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1s97 s THR 141 Cb 0.06 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1s97 s THR 141 CO -0.07 0.57 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 1s97 s VAL 142 N -0.53 3.88 -0.19 3.82 1.01 -0.88 -1.48 120.40 126.03 1s97 s VAL 142 Ca 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1s97 s VAL 142 Cb -0.12 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1s97 s VAL 142 CO 0.02 0.47 -0.16 -0.83 0.00 0.00 0.00 175.10 174.60 1s97 s GLY 143 N 0.66 1.45 -0.07 4.51 0.00 0.10 -1.02 107.32 112.95 1s97 s GLY 143 Ca -0.02 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 43.53 1s97 s GLY 143 CO 0.02 0.33 -0.21 -0.42 0.00 0.00 0.00 173.10 172.81 1s97 s ILE 144 N 1.34 2.38 0.00 0.90 1.01 0.18 -0.10 121.20 126.91 1s97 s ILE 144 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1s97 s ILE 144 Cb -0.13 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1s97 s ILE 144 CO -0.10 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.16 1s97 n SER 145 N 2.98 0.00 0.06 3.58 2.88 -0.91 -0.42 113.62 121.79 1s97 n SER 145 Ca -0.18 -0.39 0.12 0.00 -1.33 0.00 0.00 58.87 57.10 1s97 n SER 145 Cb 0.52 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.24 1s97 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s97 n LYS 146 N 0.00 0.23 -4.08 -1.46 2.85 -1.26 -1.36 118.16 113.08 1s97 n LYS 146 Ca 0.00 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 1s97 n LYS 146 Cb 0.00 -1.67 -0.06 0.00 -0.65 0.00 0.00 35.03 32.65 1s97 n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s97 s ASN 147 N -4.04 0.30 0.07 -5.58 2.20 -1.26 -4.66 114.94 101.97 1s97 s ASN 147 Ca 0.08 -1.22 -0.29 0.00 -0.94 0.00 0.00 52.86 50.49 1s97 s ASN 147 Cb 0.14 0.56 -0.17 0.00 -2.00 0.00 0.00 41.25 39.78 1s97 s ASN 147 CO 0.68 -1.12 1.63 0.11 -2.94 0.00 0.00 177.10 175.47 1s97 h LYS 148 N 2.29 -0.53 -0.70 3.55 1.57 -1.92 -2.50 116.57 118.32 1s97 h LYS 148 Ca -0.29 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1s97 h LYS 148 Cb 1.25 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.56 1s97 h LYS 148 CO 0.41 -0.34 0.05 0.28 -0.57 0.00 0.00 179.45 179.28 1s97 h VAL 149 N -0.58 0.44 0.00 0.50 2.07 -1.97 0.14 116.25 116.85 1s97 h VAL 149 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1s97 h VAL 149 Cb 0.44 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1s97 h VAL 149 CO 0.09 0.03 -0.04 -0.26 0.02 0.00 0.00 177.57 177.41 1s97 h PHE 150 N 0.15 0.00 -0.17 1.57 0.04 -1.98 -0.83 116.94 115.72 1s97 h PHE 150 Ca 0.38 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.95 1s97 h PHE 150 Cb 0.65 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.81 1s97 h PHE 150 CO -0.36 0.04 -0.69 0.00 -0.60 0.00 0.00 178.31 176.71 1s97 h ALA 151 N 1.96 0.32 0.08 2.45 0.00 -0.33 -0.47 119.26 123.26 1s97 h ALA 151 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s97 h ALA 151 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s97 h ALA 151 CO 0.01 0.63 -0.04 -0.22 0.00 0.00 0.00 179.25 179.63 1s97 h LYS 152 N 0.50 -0.10 -0.76 0.00 3.64 -0.84 -2.17 116.57 116.83 1s97 h LYS 152 Ca -0.04 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1s97 h LYS 152 Cb 1.32 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.07 1s97 h LYS 152 CO 0.14 0.18 0.36 0.82 -2.27 0.00 0.00 179.45 178.68 1s97 h ILE 153 N -0.38 0.75 -0.75 2.00 2.04 -1.12 0.17 117.51 120.22 1s97 h ILE 153 Ca -0.01 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1s97 h ILE 153 Cb 0.32 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1s97 h ILE 153 CO 0.02 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.73 1s97 h ALA 154 N 1.50 1.00 -0.56 1.87 0.00 -0.91 -1.65 119.26 120.51 1s97 h ALA 154 Ca 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1s97 h ALA 154 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1s97 h ALA 154 CO -0.34 0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 1s97 h ALA 155 N 1.33 0.76 -0.94 0.00 0.00 -0.16 -2.39 119.26 117.86 1s97 h ALA 155 Ca 0.31 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1s97 h ALA 155 Cb 0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1s97 h ALA 155 CO -0.13 0.62 0.59 -0.44 0.00 0.00 0.00 179.25 179.89 1s97 h ASP 156 N 0.90 0.92 0.08 0.00 3.32 -0.19 -0.99 116.42 120.45 1s97 h ASP 156 Ca 0.15 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1s97 h ASP 156 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1s97 h ASP 156 CO 0.04 0.57 -0.45 0.24 -1.72 0.00 0.00 179.24 177.92 1s97 h MET 157 N 1.04 0.45 0.00 3.56 2.86 -1.11 -3.29 114.93 118.45 1s97 h MET 157 Ca 0.42 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1s97 h MET 157 Cb 0.24 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1s97 h MET 157 CO -0.20 0.81 -0.78 0.00 1.06 0.00 0.00 176.91 177.81 1s97 n ALA 158 N -2.49 2.99 -1.57 6.32 0.00 -0.82 -4.96 120.51 119.98 1s97 n ALA 158 Ca -0.02 -0.29 -0.48 0.00 0.00 0.00 0.00 53.44 52.66 1s97 n ALA 158 Cb 0.53 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1s97 n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s97 n LYS 159 N -2.14 1.14 -3.64 0.00 5.02 -0.44 -3.67 118.16 114.43 1s97 n LYS 159 Ca 0.02 0.40 -0.22 0.00 -2.02 0.00 0.00 58.31 56.50 1s97 n LYS 159 Cb 0.45 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1s97 n LYS 159 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1s97 s PRO 160 N -0.72 2.46 -1.71 1.97 0.04 -1.26 -4.92 135.00 130.86 1s97 s PRO 160 Ca 0.69 -1.64 -0.18 0.00 0.04 0.00 0.00 61.00 59.91 1s97 s PRO 160 Cb -0.82 -2.31 0.16 0.00 0.04 0.00 0.00 34.50 31.57 1s97 s PRO 160 CO 0.54 -0.27 0.74 -1.71 0.04 0.00 0.00 177.00 176.34 1s97 n ASN 161 N -1.58 -2.95 -1.94 6.66 4.05 -1.26 -4.92 115.26 113.32 1s97 n ASN 161 Ca 0.03 -1.04 0.00 0.00 0.45 0.00 0.00 54.58 54.02 1s97 n ASN 161 Cb 0.62 -2.62 0.00 0.00 1.23 0.00 0.00 39.78 39.02 1s97 n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s97 n GLY 162 N -1.40 3.38 3.40 8.20 0.00 -1.24 -4.97 105.19 112.56 1s97 n GLY 162 Ca 0.06 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.92 1s97 n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s97 s ILE 163 N -0.16 -0.17 -0.06 -0.61 2.07 -1.26 -2.07 121.20 118.93 1s97 s ILE 163 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 1s97 s ILE 163 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1s97 s ILE 163 CO 0.00 0.00 0.30 -0.75 -1.91 0.00 0.00 174.94 172.58 1s97 s LYS 164 N 1.88 0.50 -0.00 3.50 2.20 -0.19 -4.96 119.74 122.67 1s97 s LYS 164 Ca -0.03 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1s97 s LYS 164 Cb -0.03 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1s97 s LYS 164 CO -0.15 -0.11 -0.12 0.14 -0.36 0.00 0.00 175.35 174.75 1s97 s VAL 165 N -0.59 3.25 -0.42 4.02 -7.23 -1.26 -0.65 120.40 117.53 1s97 s VAL 165 Ca -0.07 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1s97 s VAL 165 Cb -0.04 -2.36 0.11 0.00 0.56 0.00 0.00 36.38 34.65 1s97 s VAL 165 CO 0.02 0.44 0.18 -0.63 -0.31 0.00 0.00 175.10 174.80 1s97 s ILE 166 N -0.90 2.88 1.17 -0.62 1.01 0.44 -4.96 121.20 120.24 1s97 s ILE 166 Ca 0.15 -2.38 -0.19 0.00 0.00 0.00 0.00 60.65 58.22 1s97 s ILE 166 Cb -0.11 -3.02 0.28 0.00 0.01 0.00 0.00 42.46 39.63 1s97 s ILE 166 CO 0.05 -0.69 1.17 1.51 0.00 0.00 0.00 174.94 176.97 1s97 s ASP 167 N 1.16 1.20 0.38 3.58 3.84 -1.26 -4.37 116.67 121.21 1s97 s ASP 167 Ca 0.11 0.47 0.09 0.00 -0.00 0.00 0.00 52.55 53.22 1s97 s ASP 167 Cb -0.21 -0.61 0.84 0.00 -1.38 0.00 0.00 42.92 41.56 1s97 s ASP 167 CO -0.05 -3.93 1.96 0.44 -0.00 0.00 0.00 175.17 173.59 1s97 h ASP 168 N -2.46 0.57 0.17 2.11 3.32 -1.99 -0.59 116.42 117.55 1s97 h ASP 168 Ca -0.44 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1s97 h ASP 168 Cb 1.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1s97 h ASP 168 CO 0.32 0.35 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.03 1s97 h GLU 169 N 0.64 -0.22 -0.11 3.56 4.57 -2.01 -2.97 114.58 118.04 1s97 h GLU 169 Ca 0.31 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1s97 h GLU 169 Cb 0.37 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1s97 h GLU 169 CO -0.10 0.16 0.10 1.49 -1.18 0.00 0.00 179.01 179.48 1s97 h GLU 170 N -0.68 0.00 0.23 1.92 4.57 -1.78 -2.11 114.58 116.74 1s97 h GLU 170 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1s97 h GLU 170 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1s97 h GLU 170 CO 0.04 0.00 -0.11 0.28 -1.18 0.00 0.00 179.01 178.04 1s97 h VAL 171 N 0.00 0.84 -0.76 0.32 2.07 -1.03 0.39 116.25 118.08 1s97 h VAL 171 Ca 0.05 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1s97 h VAL 171 Cb 0.26 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1s97 h VAL 171 CO -0.00 0.12 0.40 0.11 0.02 0.00 0.00 177.57 178.22 1s97 h LYS 172 N -0.60 0.65 0.28 1.57 1.79 -1.24 0.23 116.57 119.25 1s97 h LYS 172 Ca -0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1s97 h LYS 172 Cb 0.44 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1s97 h LYS 172 CO 0.05 0.43 -0.15 -0.09 -1.08 0.00 0.00 179.45 178.61 1s97 h ARG 173 N 0.67 -0.39 -0.29 3.15 1.12 -1.30 -2.73 114.38 114.60 1s97 h ARG 173 Ca 0.38 0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 59.23 1s97 h ARG 173 Cb 0.39 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 1s97 h ARG 173 CO -0.27 -0.26 -0.02 -0.07 -3.11 0.00 0.00 179.97 176.24 1s97 h LEU 174 N -0.41 0.42 -2.17 3.80 3.38 -0.16 -0.65 115.31 119.52 1s97 h LEU 174 Ca -0.03 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1s97 h LEU 174 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1s97 h LEU 174 CO 0.05 0.50 0.23 0.40 0.09 0.00 0.00 178.44 179.71 1s97 h ILE 175 N 0.43 0.53 -0.00 1.22 2.04 -0.27 0.10 117.51 121.56 1s97 h ILE 175 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1s97 h ILE 175 Cb 0.32 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1s97 h ILE 175 CO 0.01 0.00 -0.20 -2.11 0.00 0.00 0.00 178.15 175.85 1s97 n ARG 176 N -3.91 3.33 0.00 2.37 1.85 -0.77 -1.42 116.66 118.10 1s97 n ARG 176 Ca 0.03 -0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 1s97 n ARG 176 Cb 0.37 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 1s97 n ARG 176 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1s97 n GLU 177 N -0.65 6.02 -2.91 2.89 1.02 -0.32 -4.91 120.64 121.78 1s97 n GLU 177 Ca 0.02 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1s97 n GLU 177 Cb 0.13 -0.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 1s97 n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s97 s LEU 178 N -2.01 4.46 0.05 -4.62 2.96 0.30 -4.99 118.68 114.83 1s97 s LEU 178 Ca 0.00 1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 55.15 1s97 s LEU 178 Cb 0.00 -3.33 -0.08 0.00 0.50 0.00 0.00 46.19 43.28 1s97 s LEU 178 CO 0.00 -0.01 1.68 -0.62 -1.32 0.00 0.00 176.35 176.09 1s97 s ASP 179 N -0.05 6.59 0.55 3.68 -1.08 -1.26 -4.33 116.67 120.77 1s97 s ASP 179 Ca 0.41 2.48 0.36 0.00 -0.52 0.00 0.00 52.55 55.28 1s97 s ASP 179 Cb -0.21 -2.56 1.99 0.00 -1.46 0.00 0.00 42.92 40.68 1s97 s ASP 179 CO 0.25 -0.91 2.12 -0.29 0.52 0.00 0.00 175.17 176.86 1s97 h ILE 180 N 4.97 0.00 0.00 4.11 2.10 -1.85 0.75 117.51 127.59 1s97 h ILE 180 Ca -0.43 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.48 1s97 h ILE 180 Cb 1.20 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1s97 h ILE 180 CO 0.93 0.00 -0.15 0.00 -1.08 0.00 0.00 178.15 177.86 1s97 h ALA 181 N 1.97 1.05 -0.13 0.18 0.00 -1.87 -2.52 119.26 117.94 1s97 h ALA 181 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s97 h ALA 181 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s97 h ALA 181 CO 0.00 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 1s97 n ASP 182 N -3.34 1.13 -4.72 0.00 8.00 0.26 -4.75 116.55 113.14 1s97 n ASP 182 Ca -0.00 -1.67 -0.41 0.00 0.71 0.00 0.00 54.79 53.42 1s97 n ASP 182 Cb 0.36 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 1s97 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s97 s VAL 183 N -1.83 4.84 0.25 2.53 1.01 -0.95 -4.96 120.40 121.28 1s97 s VAL 183 Ca 0.29 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.88 1s97 s VAL 183 Cb 0.15 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1s97 s VAL 183 CO 0.23 0.21 1.29 -2.65 0.00 0.00 0.00 175.10 174.18 1s97 n PRO 184 N 3.64 1.78 -0.22 2.72 -0.02 -1.26 -1.61 135.00 140.03 1s97 n PRO 184 Ca 0.04 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1s97 n PRO 184 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1s97 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s97 n GLY 185 N 1.80 1.16 3.22 -1.23 0.00 -1.26 -5.01 105.19 103.87 1s97 n GLY 185 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1s97 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 186 N -2.72 3.95 0.00 -0.61 -1.09 -0.63 -5.04 121.20 115.05 1s97 s ILE 186 Ca 0.00 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 56.84 1s97 s ILE 186 Cb 0.00 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1s97 s ILE 186 CO 0.00 -0.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 1s97 n GLY 187 N 4.83 1.01 0.22 6.18 0.00 -1.26 -4.72 105.19 111.45 1s97 n GLY 187 Ca -0.08 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 1s97 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s97 h ASN 188 N 0.00 0.49 -0.04 1.61 2.35 -1.97 -0.30 115.58 117.72 1s97 h ASN 188 Ca 0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1s97 h ASN 188 Cb 0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1s97 h ASN 188 CO 0.00 0.86 -0.01 0.40 -1.65 0.00 0.00 177.43 177.03 1s97 h ILE 189 N 0.38 1.30 -0.51 2.81 2.04 -2.00 -2.26 117.51 119.27 1s97 h ILE 189 Ca 0.03 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 1s97 h ILE 189 Cb 0.90 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1s97 h ILE 189 CO 0.08 0.24 -0.09 0.74 0.00 0.00 0.00 178.15 179.12 1s97 h THR 190 N -0.27 1.26 0.00 -0.27 2.02 -1.94 -2.76 112.91 110.95 1s97 h THR 190 Ca 0.01 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1s97 h THR 190 Cb 0.40 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1s97 h THR 190 CO 0.00 0.42 -0.13 0.00 0.37 0.00 0.00 175.52 176.19 1s97 h ALA 191 N 1.06 1.58 0.14 6.16 0.00 -1.01 -2.33 119.26 124.86 1s97 h ALA 191 Ca 0.14 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1s97 h ALA 191 Cb 0.61 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.41 1s97 h ALA 191 CO 0.04 0.16 -1.10 0.93 0.00 0.00 0.00 179.25 179.29 1s97 h GLU 192 N 0.00 0.50 0.00 0.00 4.39 -1.13 -2.81 114.58 115.53 1s97 h GLU 192 Ca -0.00 -0.72 -0.02 0.00 0.34 0.00 0.00 59.36 58.96 1s97 h GLU 192 Cb 0.26 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1s97 h GLU 192 CO 0.02 1.32 -0.10 0.87 -1.16 0.00 0.00 179.01 179.96 1s97 h LYS 193 N 0.03 0.00 0.03 2.33 1.57 -1.25 -1.61 116.57 117.66 1s97 h LYS 193 Ca -0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1s97 h LYS 193 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1s97 h LYS 193 CO 0.21 0.10 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.10 1s97 h LEU 194 N 0.00 -0.03 -0.98 2.94 3.38 -1.43 -3.30 115.31 115.88 1s97 h LEU 194 Ca -0.00 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.36 1s97 h LEU 194 Cb 0.32 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1s97 h LEU 194 CO 0.01 0.74 0.63 0.50 0.09 0.00 0.00 178.44 180.41 1s97 h LYS 195 N -0.89 1.09 -2.02 1.13 3.64 -1.34 -0.86 116.57 117.33 1s97 h LYS 195 Ca -0.00 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1s97 h LYS 195 Cb 0.71 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1s97 h LYS 195 CO 0.01 0.72 -0.28 1.17 -2.27 0.00 0.00 179.45 178.80 1s97 n LYS 196 N -4.53 1.72 -0.02 1.90 4.81 -0.62 -0.89 118.16 120.53 1s97 n LYS 196 Ca 0.15 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.84 1s97 n LYS 196 Cb 0.20 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1s97 n LYS 196 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1s97 n LEU 197 N 2.28 0.00 -0.24 3.14 7.94 -0.43 -4.93 117.00 124.77 1s97 n LEU 197 Ca 0.32 -0.21 -0.03 0.00 -1.11 0.00 0.00 56.01 54.98 1s97 n LEU 197 Cb 0.80 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.74 1s97 n LEU 197 CO 0.10 0.38 -0.03 0.61 -1.11 0.00 0.00 177.39 177.34 1s97 n GLY 198 N 0.00 0.56 3.41 -3.96 0.00 -0.07 -5.00 105.19 100.13 1s97 n GLY 198 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1s97 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 199 N -1.84 4.81 0.00 -0.61 1.01 -0.61 -4.87 121.20 119.09 1s97 s ILE 199 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1s97 s ILE 199 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1s97 s ILE 199 CO 0.00 -0.24 0.50 0.59 0.00 0.00 0.00 174.94 175.78 1s97 n ASN 200 N 5.05 0.95 -3.87 3.58 3.02 -1.26 -3.22 115.26 119.51 1s97 n ASN 200 Ca -0.12 -1.16 -0.10 0.00 -0.03 0.00 0.00 54.58 53.17 1s97 n ASN 200 Cb 0.47 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.55 1s97 n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s97 s LYS 201 N -0.16 0.71 0.22 3.52 3.01 -1.26 -2.75 119.74 123.02 1s97 s LYS 201 Ca 0.00 -0.76 -0.09 0.00 -1.01 0.00 0.00 55.97 54.12 1s97 s LYS 201 Cb 0.00 0.29 0.22 0.00 -1.01 0.00 0.00 37.83 37.32 1s97 s LYS 201 CO 0.00 -0.21 1.87 -0.07 0.51 0.00 0.00 175.35 177.45 1s97 h LEU 202 N 3.29 0.83 -0.66 3.17 3.38 -1.73 -2.61 115.31 120.99 1s97 h LEU 202 Ca -0.33 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1s97 h LEU 202 Cb 1.19 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1s97 h LEU 202 CO 0.51 0.58 0.19 -0.37 0.09 0.00 0.00 178.44 179.44 1s97 h VAL 203 N 0.98 0.65 -0.57 1.22 -1.51 -1.58 -1.99 116.25 113.45 1s97 h VAL 203 Ca 0.31 -0.11 0.16 0.00 -1.23 0.00 0.00 66.70 65.83 1s97 h VAL 203 Cb -0.01 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 29.42 1s97 h VAL 203 CO -0.10 0.06 0.65 0.44 -1.23 0.00 0.00 177.57 177.38 1s97 h ASP 204 N 0.33 0.00 0.52 4.19 3.32 -1.77 0.27 116.42 123.26 1s97 h ASP 204 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1s97 h ASP 204 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1s97 h ASP 204 CO -0.40 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.47 1s97 n THR 205 N -3.56 1.00 0.11 0.35 -2.24 -0.75 -1.66 114.28 107.54 1s97 n THR 205 Ca 0.11 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.26 1s97 n THR 205 Cb 0.86 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 1s97 n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s97 n LEU 206 N -1.60 0.68 0.05 3.22 4.77 0.93 -4.14 117.00 120.91 1s97 n LEU 206 Ca 0.03 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1s97 n LEU 206 Cb 0.17 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1s97 n LEU 206 CO 0.14 -0.14 0.20 0.28 -1.33 0.00 0.00 177.39 176.54 1s97 h SER 207 N 0.00 0.66 -2.88 -1.43 0.02 -1.41 -3.47 113.55 105.05 1s97 h SER 207 Ca 0.00 -0.50 -0.44 0.00 -0.84 0.00 0.00 61.79 60.01 1s97 h SER 207 Cb 0.99 -0.20 0.06 0.00 0.14 0.00 0.00 62.40 63.38 1s97 h SER 207 CO 0.00 1.29 0.05 0.27 -1.14 0.00 0.00 176.83 177.30 1s97 s ILE 208 N -3.41 2.53 0.07 3.27 -4.36 -1.22 -5.07 121.20 113.02 1s97 s ILE 208 Ca -0.07 -0.54 -0.28 0.00 -0.26 0.00 0.00 60.65 59.49 1s97 s ILE 208 Cb 0.09 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.76 1s97 s ILE 208 CO 0.88 0.00 0.90 -0.70 0.24 0.00 0.00 174.94 176.26 1s97 s GLU 209 N -4.92 4.62 0.29 0.37 2.56 -1.26 -4.98 118.70 115.38 1s97 s GLU 209 Ca 0.58 1.32 0.04 0.00 0.00 0.00 0.00 54.97 56.92 1s97 s GLU 209 Cb -0.10 -3.38 0.75 0.00 2.00 0.00 0.00 34.13 33.39 1s97 s GLU 209 CO 0.40 0.20 1.69 0.35 -0.56 0.00 0.00 175.26 177.34 1s97 h PHE 210 N 5.78 0.64 0.00 5.30 3.57 -1.98 -0.89 116.94 129.36 1s97 h PHE 210 Ca -0.43 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 1s97 h PHE 210 Cb 1.21 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1s97 h PHE 210 CO 0.65 -0.07 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.87 1s97 h ASP 211 N 0.38 0.00 0.73 0.41 5.19 -1.97 0.98 116.42 122.13 1s97 h ASP 211 Ca 0.57 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.80 1s97 h ASP 211 Cb 1.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1s97 h ASP 211 CO -0.54 0.35 -0.82 0.50 -3.12 0.00 0.00 179.24 175.60 1s97 h LYS 212 N 0.00 0.06 0.12 3.56 3.64 -1.59 -2.52 116.57 119.84 1s97 h LYS 212 Ca -0.00 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 1s97 h LYS 212 Cb 1.03 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1s97 h LYS 212 CO 0.05 0.85 -1.01 1.25 -2.27 0.00 0.00 179.45 178.31 1s97 h LEU 213 N 0.04 0.39 -2.07 5.20 5.85 -1.23 -3.15 115.31 120.33 1s97 h LEU 213 Ca -0.02 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 1s97 h LEU 213 Cb 1.44 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1s97 h LEU 213 CO 0.11 1.46 -0.08 0.07 -0.34 0.00 0.00 178.44 179.67 1s97 h LYS 214 N -0.41 0.00 0.00 1.25 2.10 -0.88 -0.11 116.57 118.52 1s97 h LYS 214 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1s97 h LYS 214 Cb 1.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 1s97 h LYS 214 CO 0.09 0.08 -0.39 0.78 -2.00 0.00 0.00 179.45 178.01 1s97 h GLY 215 N 0.80 0.00 0.52 0.07 0.00 -1.53 0.68 103.07 103.59 1s97 h GLY 215 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1s97 h GLY 215 CO 0.01 0.00 -2.06 -0.13 0.00 0.00 0.00 176.54 174.36 1s97 n MET 216 N -2.70 0.69 0.00 4.80 0.00 -0.45 -4.64 117.12 114.83 1s97 n MET 216 Ca 0.03 0.21 0.00 0.00 -0.00 0.00 0.00 57.70 57.94 1s97 n MET 216 Cb 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 32.05 1s97 n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1s97 n ILE 217 N -3.22 0.22 0.00 1.12 -5.35 -0.18 -4.99 119.36 106.96 1s97 n ILE 217 Ca -0.30 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1s97 n ILE 217 Cb 1.05 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 40.08 1s97 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s97 n GLY 218 N -0.11 1.04 0.33 3.28 0.00 0.23 -4.43 105.19 105.53 1s97 n GLY 218 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 1s97 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s97 h GLU 219 N 0.00 1.15 0.83 1.61 4.81 -1.90 -2.74 114.58 118.34 1s97 h GLU 219 Ca 0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1s97 h GLU 219 Cb 0.00 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.23 1s97 h GLU 219 CO 0.00 1.00 -0.43 0.00 -0.73 0.00 0.00 179.01 178.85 1s97 h ALA 220 N 1.10 -1.30 0.00 2.92 0.00 -1.93 -2.14 119.26 117.92 1s97 h ALA 220 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s97 h ALA 220 Cb 0.37 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1s97 h ALA 220 CO 0.00 -1.22 0.00 1.63 0.00 0.00 0.00 179.25 179.66 1s97 n LYS 221 N -5.20 0.10 -0.01 0.00 5.02 -1.24 -2.16 118.16 114.67 1s97 n LYS 221 Ca -0.14 0.23 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1s97 n LYS 221 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1s97 n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s97 h ALA 222 N 2.38 -0.10 -0.64 7.82 0.00 -1.10 -3.15 119.26 124.47 1s97 h ALA 222 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1s97 h ALA 222 Cb 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1s97 h ALA 222 CO 0.00 -0.09 0.32 0.87 0.00 0.00 0.00 179.25 180.35 1s97 h LYS 223 N -0.96 0.57 -0.09 0.00 1.57 -1.14 -2.39 116.57 114.13 1s97 h LYS 223 Ca -0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1s97 h LYS 223 Cb 0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1s97 h LYS 223 CO 0.02 0.38 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.12 1s97 h TYR 224 N 0.58 -0.69 -0.29 -1.35 3.20 -1.57 0.21 116.97 117.06 1s97 h TYR 224 Ca 0.30 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.25 1s97 h TYR 224 Cb 0.26 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1s97 h TYR 224 CO -0.11 -0.22 0.20 -0.07 -1.64 0.00 0.00 178.16 176.32 1s97 h LEU 225 N -0.22 0.15 0.10 2.82 3.38 -1.49 -2.19 115.31 117.86 1s97 h LEU 225 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1s97 h LEU 225 Cb 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s97 h LEU 225 CO -0.20 0.10 -0.05 0.40 0.09 0.00 0.00 178.44 178.78 1s97 h ILE 226 N 0.18 1.10 -0.79 1.22 2.04 -0.83 -1.29 117.51 119.14 1s97 h ILE 226 Ca 0.13 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.90 1s97 h ILE 226 Cb 0.29 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1s97 h ILE 226 CO -0.02 0.27 0.52 0.77 0.00 0.00 0.00 178.15 179.69 1s97 h SER 227 N -0.74 0.63 -0.07 1.72 4.64 -0.39 0.25 113.55 119.59 1s97 h SER 227 Ca -0.01 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1s97 h SER 227 Cb 0.55 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1s97 h SER 227 CO 0.02 0.37 0.01 -0.07 -0.87 0.00 0.00 176.83 176.29 1s97 h LEU 228 N 0.69 0.11 -1.33 5.97 3.38 -1.37 0.31 115.31 123.07 1s97 h LEU 228 Ca 0.37 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1s97 h LEU 228 Cb 0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1s97 h LEU 228 CO -0.14 0.33 0.48 0.00 0.09 0.00 0.00 178.44 179.19 1s97 h ALA 229 N 0.79 1.60 -0.00 1.53 0.00 0.17 0.10 119.26 123.44 1s97 h ALA 229 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s97 h ALA 229 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s97 h ALA 229 CO 0.00 0.32 -0.01 0.54 0.00 0.00 0.00 179.25 180.10 1s97 n ARG 230 N -4.46 0.93 -3.56 0.00 1.74 0.70 -4.88 116.66 107.13 1s97 n ARG 230 Ca 0.09 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 1s97 n ARG 230 Cb 0.14 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.16 1s97 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s97 n ASP 231 N -0.92 -5.59 0.00 0.55 4.64 0.35 -4.90 116.55 110.68 1s97 n ASP 231 Ca 0.21 -0.55 0.00 0.00 -1.38 0.00 0.00 54.79 53.07 1s97 n ASP 231 Cb 0.18 -5.03 0.00 0.00 -1.04 0.00 0.00 41.12 35.23 1s97 n ASP 231 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1s97 n GLU 232 N -4.83 1.87 -2.28 -0.67 1.02 0.10 -5.02 120.64 110.83 1s97 n GLU 232 Ca -0.04 -1.18 -0.42 0.00 -0.02 0.00 0.00 57.16 55.49 1s97 n GLU 232 Cb 0.58 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 31.02 1s97 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1s97 s TYR 233 N -0.69 2.98 -0.26 -0.32 5.04 -0.96 -4.91 117.35 118.23 1s97 s TYR 233 Ca 0.00 0.94 0.19 0.00 -2.44 0.00 0.00 57.07 55.76 1s97 s TYR 233 Cb 0.00 -3.60 0.45 0.00 0.35 0.00 0.00 41.96 39.16 1s97 s TYR 233 CO 0.00 -2.13 1.26 0.27 -1.34 0.00 0.00 175.55 173.61 1s97 n ASN 234 N 5.17 0.36 -4.69 4.32 2.04 -1.26 -4.81 115.26 116.39 1s97 n ASN 234 Ca 0.12 -2.09 -0.44 0.00 -0.44 0.00 0.00 54.58 51.73 1s97 n ASN 234 Cb 0.44 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 37.63 1s97 n ASN 234 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1s97 n GLU 235 N -0.82 2.29 -2.05 -3.83 -0.58 -1.26 -4.95 120.64 109.44 1s97 n GLU 235 Ca -0.03 0.82 -0.33 0.00 -0.42 0.00 0.00 57.16 57.20 1s97 n GLU 235 Cb 0.85 -2.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.17 1s97 n GLU 235 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1s97 s PRO 236 N 0.22 3.30 -0.24 3.49 0.04 -1.26 -4.70 135.00 135.85 1s97 s PRO 236 Ca 0.72 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 1s97 s PRO 236 Cb -0.61 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1s97 s PRO 236 CO 0.43 -0.83 1.16 0.42 0.04 0.00 0.00 177.00 178.22 1s97 s ILE 237 N -2.41 4.44 0.05 0.56 1.09 -1.26 -5.01 121.20 118.66 1s97 s ILE 237 Ca 0.64 1.71 0.04 0.00 -1.10 0.00 0.00 60.65 61.94 1s97 s ILE 237 Cb -0.16 -4.21 -0.02 0.00 -1.06 0.00 0.00 42.46 37.00 1s97 s ILE 237 CO 0.36 -0.27 -0.13 0.00 -0.10 0.00 0.00 174.94 174.80 1s97 s ARG 238 N 3.53 0.82 0.21 2.79 1.70 -1.26 -4.78 118.95 121.96 1s97 s ARG 238 Ca 0.49 -0.78 -0.32 0.00 -0.47 0.00 0.00 55.73 54.65 1s97 s ARG 238 Cb -0.17 -0.79 -0.12 0.00 -0.57 0.00 0.00 34.95 33.30 1s97 s ARG 238 CO 0.13 0.19 1.71 2.41 -1.08 0.00 0.00 175.30 178.65 1s97 n THR 239 N 1.73 0.03 -2.63 4.99 -1.04 -1.26 -4.43 114.28 111.67 1s97 n THR 239 Ca -0.19 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.42 1s97 n THR 239 Cb 0.55 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 1s97 n THR 239 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1s97 s ARG 240 N 1.10 4.63 -0.14 -2.82 6.06 -1.26 -5.04 118.95 121.47 1s97 s ARG 240 Ca 0.75 1.58 -0.00 0.00 -2.50 0.00 0.00 55.73 55.56 1s97 s ARG 240 Cb -0.52 -3.06 0.03 0.00 0.06 0.00 0.00 34.95 31.46 1s97 s ARG 240 CO 0.33 0.27 -0.09 0.08 -2.50 0.00 0.00 175.30 173.39 1s97 s VAL 241 N -1.32 1.24 0.21 7.11 1.01 -1.26 -5.04 120.40 122.36 1s97 s VAL 241 Ca 0.46 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 1s97 s VAL 241 Cb -0.26 -1.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.76 1s97 s VAL 241 CO 0.33 0.35 1.60 -0.13 0.00 0.00 0.00 175.10 177.25 1s97 s ARG 242 N 1.61 4.18 -0.13 2.72 0.52 -1.26 -4.90 118.95 121.70 1s97 s ARG 242 Ca 0.04 2.46 0.14 0.00 -0.52 0.00 0.00 55.73 57.85 1s97 s ARG 242 Cb -0.13 -3.10 -0.19 0.00 0.52 0.00 0.00 34.95 32.05 1s97 s ARG 242 CO -0.09 -0.63 0.09 1.63 0.02 0.00 0.00 175.30 176.33 1s97 n LYS 243 N 3.39 1.42 -3.92 3.54 5.02 -1.26 -4.99 118.16 121.35 1s97 n LYS 243 Ca 0.12 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1s97 n LYS 243 Cb 0.38 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1s97 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1s97 s SER 244 N -4.69 0.18 -0.08 4.39 1.04 -1.26 -3.69 113.70 109.59 1s97 s SER 244 Ca -0.07 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1s97 s SER 244 Cb 0.05 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1s97 s SER 244 CO 0.62 -0.55 0.18 -0.63 0.98 0.00 0.00 173.24 173.84 1s97 s ILE 245 N -2.85 -0.10 0.23 -1.02 1.01 -0.16 -4.98 121.20 113.34 1s97 s ILE 245 Ca -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1s97 s ILE 245 Cb 0.00 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.19 1s97 s ILE 245 CO -0.06 0.08 0.36 0.61 0.00 0.00 0.00 174.94 175.94 1s97 n GLY 246 N 4.43 2.21 3.26 6.18 0.00 -1.26 -1.18 105.19 118.82 1s97 n GLY 246 Ca -0.22 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 1s97 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s97 s ARG 247 N -2.41 0.43 -0.02 1.61 6.06 0.11 -4.85 118.95 119.88 1s97 s ARG 247 Ca 0.17 0.52 -0.00 0.00 -2.50 0.00 0.00 55.73 53.92 1s97 s ARG 247 Cb -0.01 0.20 0.03 0.00 0.06 0.00 0.00 34.95 35.23 1s97 s ARG 247 CO 0.12 -0.05 0.04 -1.50 -2.50 0.00 0.00 175.30 171.41 1s97 s ILE 248 N 0.23 -0.05 0.33 4.11 2.07 -1.26 -0.51 121.20 126.12 1s97 s ILE 248 Ca -0.00 0.17 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 1s97 s ILE 248 Cb -0.03 -0.09 -0.06 0.00 0.13 0.00 0.00 42.46 42.41 1s97 s ILE 248 CO 0.00 0.07 -0.08 0.68 -1.91 0.00 0.00 174.94 173.71 1s97 s VAL 249 N 0.88 2.04 -0.17 4.00 -7.23 -0.14 -4.95 120.40 114.83 1s97 s VAL 249 Ca -0.07 -2.17 -0.08 0.00 -1.81 0.00 0.00 61.98 57.85 1s97 s VAL 249 Cb -0.10 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1s97 s VAL 249 CO -0.03 -0.22 0.09 -0.89 -0.31 0.00 0.00 175.10 173.74 1s97 s THR 250 N -2.74 5.02 0.35 5.32 2.01 -1.26 -1.33 115.64 123.01 1s97 s THR 250 Ca 0.32 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 1s97 s THR 250 Cb 0.03 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 1s97 s THR 250 CO 0.15 0.48 0.84 -0.04 -0.69 0.00 0.00 174.62 175.36 1s97 s MET 251 N 0.14 4.19 0.43 4.92 -1.94 -0.49 -4.94 119.30 121.62 1s97 s MET 251 Ca 0.06 0.95 0.23 0.00 -1.71 0.00 0.00 55.69 55.22 1s97 s MET 251 Cb -0.12 -2.45 1.22 0.00 2.01 0.00 0.00 34.83 35.49 1s97 s MET 251 CO -0.00 0.14 1.77 0.87 -0.01 0.00 0.00 175.02 177.79 1s97 h LYS 252 N 2.41 0.28 -2.49 2.03 1.79 -1.89 -3.42 116.57 115.29 1s97 h LYS 252 Ca -0.48 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 1s97 h LYS 252 Cb 1.18 -0.06 -0.21 0.00 -1.58 0.00 0.00 32.23 31.56 1s97 h LYS 252 CO 0.64 0.19 -0.06 -0.98 -1.08 0.00 0.00 179.45 178.16 1s97 s ARG 253 N -5.36 0.79 0.58 3.15 1.70 -1.26 -4.47 118.95 114.08 1s97 s ARG 253 Ca -0.08 0.26 -0.19 0.00 -0.47 0.00 0.00 55.73 55.25 1s97 s ARG 253 Cb 0.25 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.94 1s97 s ARG 253 CO 0.80 -0.20 1.00 0.09 -1.08 0.00 0.00 175.30 175.91 1s97 n ASN 254 N 1.63 0.98 -3.48 -2.89 5.03 -1.26 -4.92 115.26 110.34 1s97 n ASN 254 Ca -0.18 0.84 -0.07 0.00 0.87 0.00 0.00 54.58 56.04 1s97 n ASN 254 Cb 0.56 -1.40 -0.00 0.00 -1.02 0.00 0.00 39.78 37.92 1s97 n ASN 254 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1s97 s SER 255 N -1.16 -0.14 0.00 6.41 0.15 -0.19 -4.91 113.70 113.86 1s97 s SER 255 Ca 0.74 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1s97 s SER 255 Cb -0.43 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1s97 s SER 255 CO 0.48 -1.39 0.19 -1.14 1.20 0.00 0.00 173.24 172.58 1s97 n ARG 256 N -0.50 0.00 -2.70 5.44 0.63 -1.26 0.11 116.66 118.37 1s97 n ARG 256 Ca -0.06 -0.19 -0.43 0.00 -0.92 0.00 0.00 57.85 56.26 1s97 n ARG 256 Cb 0.60 -0.40 -0.03 0.00 0.45 0.00 0.00 32.46 33.08 1s97 n ARG 256 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1s97 s ASN 257 N 0.00 6.88 0.29 6.15 3.84 -1.26 -4.94 114.94 125.90 1s97 s ASN 257 Ca 0.00 0.98 0.03 0.00 0.21 0.00 0.00 52.86 54.08 1s97 s ASN 257 Cb 0.00 -2.52 0.71 0.00 -0.55 0.00 0.00 41.25 38.89 1s97 s ASN 257 CO 0.00 -0.82 1.69 0.25 -2.79 0.00 0.00 177.10 175.43 1s97 h LEU 258 N 9.94 0.27 -0.43 3.21 5.85 -1.99 -0.97 115.31 131.20 1s97 h LEU 258 Ca -0.21 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1s97 h LEU 258 Cb 1.07 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1s97 h LEU 258 CO 1.00 -0.02 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.54 1s97 h GLU 259 N 0.37 0.00 0.00 1.25 4.39 -2.01 -2.91 114.58 115.67 1s97 h GLU 259 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1s97 h GLU 259 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1s97 h GLU 259 CO -0.54 0.21 -0.34 1.49 -1.16 0.00 0.00 179.01 178.67 1s97 h GLU 260 N 0.00 0.00 0.01 2.33 4.81 -1.60 -3.32 114.58 116.81 1s97 h GLU 260 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1s97 h GLU 260 Cb 1.01 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1s97 h GLU 260 CO 0.03 0.00 -1.80 -0.89 -0.73 0.00 0.00 179.01 175.61 1s97 n ILE 261 N -2.65 1.60 -0.23 2.32 5.41 -0.94 -4.50 119.36 120.38 1s97 n ILE 261 Ca 0.03 -0.79 -0.05 0.00 1.00 0.00 0.00 62.75 62.94 1s97 n ILE 261 Cb 0.50 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 1s97 n ILE 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1s97 h LYS 262 N 0.01 -0.15 -0.77 0.38 1.57 -1.61 -1.81 116.57 114.19 1s97 h LYS 262 Ca -0.32 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1s97 h LYS 262 Cb 2.04 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 34.27 1s97 h LYS 262 CO 0.07 -0.10 0.20 -1.35 -0.57 0.00 0.00 179.45 177.71 1s97 h PRO 263 N -0.15 0.27 0.30 3.15 0.11 -1.79 0.28 132.00 134.17 1s97 h PRO 263 Ca 0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1s97 h PRO 263 Cb 0.56 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1s97 h PRO 263 CO -0.73 0.18 -0.14 1.88 -0.21 0.00 0.00 178.00 178.98 1s97 h TYR 264 N 0.28 -0.37 -0.60 0.65 0.05 -1.62 -1.30 116.97 114.06 1s97 h TYR 264 Ca 0.44 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.29 1s97 h TYR 264 Cb 0.78 0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.58 1s97 h TYR 264 CO -0.25 -0.17 0.27 1.25 -1.05 0.00 0.00 178.16 178.20 1s97 h LEU 265 N -0.49 0.32 -1.37 3.88 5.85 -0.78 -1.23 115.31 121.50 1s97 h LEU 265 Ca -0.04 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1s97 h LEU 265 Cb 0.37 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1s97 h LEU 265 CO 0.07 0.20 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.92 1s97 h PHE 266 N 0.48 0.19 -0.27 1.25 0.04 -0.26 -1.42 116.94 116.95 1s97 h PHE 266 Ca 0.29 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.88 1s97 h PHE 266 Cb 0.29 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1s97 h PHE 266 CO -0.13 0.37 -0.47 0.00 -0.60 0.00 0.00 178.31 177.48 1s97 h ARG 267 N 0.17 0.72 -0.61 1.51 -0.00 -0.25 -1.72 114.38 114.20 1s97 h ARG 267 Ca 0.03 -0.41 -0.08 0.00 -0.50 0.00 0.00 59.98 59.02 1s97 h ARG 267 Cb 0.44 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 1s97 h ARG 267 CO 0.03 1.03 0.08 0.00 0.00 0.00 0.00 179.97 181.12 1s97 h ALA 268 N 0.90 0.99 -0.34 0.04 0.00 -0.68 -0.76 119.26 119.40 1s97 h ALA 268 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1s97 h ALA 268 Cb 1.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1s97 h ALA 268 CO 0.10 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.78 1s97 h ILE 269 N 0.95 1.26 -0.64 0.00 2.04 -1.10 -0.58 117.51 119.45 1s97 h ILE 269 Ca 0.19 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1s97 h ILE 269 Cb 0.43 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1s97 h ILE 269 CO 0.01 0.33 0.34 -0.33 0.00 0.00 0.00 178.15 178.51 1s97 h GLU 270 N 0.42 0.90 -0.23 2.37 4.39 -1.07 -0.71 114.58 120.65 1s97 h GLU 270 Ca 0.09 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1s97 h GLU 270 Cb 0.49 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1s97 h GLU 270 CO 0.02 0.69 -0.36 0.93 -1.16 0.00 0.00 179.01 179.12 1s97 h GLU 271 N 0.87 0.51 0.19 2.33 5.08 -1.04 -2.65 114.58 119.87 1s97 h GLU 271 Ca 0.22 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1s97 h GLU 271 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1s97 h GLU 271 CO -0.03 0.80 -0.09 0.77 -1.00 0.00 0.00 179.01 179.46 1s97 h SER 272 N 0.43 -0.21 -0.83 1.42 0.02 -0.67 -2.57 113.55 111.12 1s97 h SER 272 Ca 0.04 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1s97 h SER 272 Cb 0.83 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 1s97 h SER 272 CO 0.07 0.04 0.55 1.88 -1.14 0.00 0.00 176.83 178.22 1s97 h TYR 273 N -0.47 0.96 0.00 3.45 0.05 -1.14 0.27 116.97 120.09 1s97 h TYR 273 Ca -0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1s97 h TYR 273 Cb 0.36 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1s97 h TYR 273 CO -0.00 0.53 -0.12 -0.92 -1.05 0.00 0.00 178.16 176.60 1s97 h TYR 274 N 0.97 0.00 0.00 4.88 3.20 -1.36 -1.52 116.97 123.14 1s97 h TYR 274 Ca 0.35 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 62.03 1s97 h TYR 274 Cb 0.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1s97 h TYR 274 CO -0.00 0.12 -1.17 0.87 -1.64 0.00 0.00 178.16 176.34 1s97 h LYS 275 N 0.00 0.00 -0.88 1.82 1.57 -0.25 -3.30 116.57 115.53 1s97 h LYS 275 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1s97 h LYS 275 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1s97 h LYS 275 CO 0.02 0.51 0.57 -0.07 -0.57 0.00 0.00 179.45 179.90 1s97 h LEU 276 N 0.00 0.76 -3.59 2.94 3.38 0.43 -3.47 115.31 115.77 1s97 h LEU 276 Ca -0.12 0.02 -0.42 0.00 0.09 0.00 0.00 57.88 57.45 1s97 h LEU 276 Cb 1.65 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.28 1s97 h LEU 276 CO 0.07 0.44 -1.07 -0.67 0.09 0.00 0.00 178.44 177.30 1s97 n ASP 277 N -4.53 -5.27 0.00 -0.43 2.03 -1.14 -2.20 116.55 105.00 1s97 n ASP 277 Ca 0.15 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1s97 n ASP 277 Cb 0.33 -1.92 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 1s97 n ASP 277 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1s97 n LYS 278 N -1.73 0.00 -1.57 -0.67 0.00 -1.26 -5.00 118.16 107.93 1s97 n LYS 278 Ca -0.22 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.69 1s97 n LYS 278 Cb 0.68 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.73 1s97 n LYS 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s97 n ARG 279 N 0.00 1.03 -4.01 -1.58 1.74 -0.93 -4.98 116.66 107.93 1s97 n ARG 279 Ca 0.00 0.38 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 1s97 n ARG 279 Cb 0.00 -1.92 -0.16 0.00 -1.02 0.00 0.00 32.46 29.35 1s97 n ARG 279 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1s97 s ILE 280 N -1.40 1.55 0.24 0.55 1.01 -1.26 -4.90 121.20 117.00 1s97 s ILE 280 Ca 0.66 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 1s97 s ILE 280 Cb -0.53 -1.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 1s97 s ILE 280 CO 0.55 0.40 0.70 -2.16 0.00 0.00 0.00 174.94 174.43 1s97 s PRO 281 N 1.48 4.13 -0.00 2.79 0.04 -1.26 -1.06 135.00 141.11 1s97 s PRO 281 Ca 0.04 0.74 0.15 0.00 0.04 0.00 0.00 61.00 61.97 1s97 s PRO 281 Cb -0.13 -2.74 -0.17 0.00 0.04 0.00 0.00 34.50 31.49 1s97 s PRO 281 CO -0.10 0.33 0.58 1.63 0.04 0.00 0.00 177.00 179.47 1s97 n LYS 282 N 0.37 1.84 -5.15 4.56 5.02 -0.90 0.30 118.16 124.20 1s97 n LYS 282 Ca -0.01 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1s97 n LYS 282 Cb 0.52 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 34.15 1s97 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s97 s ALA 283 N -2.51 1.92 -0.07 7.82 0.00 -0.92 0.41 121.76 128.41 1s97 s ALA 283 Ca 0.04 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1s97 s ALA 283 Cb 0.11 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1s97 s ALA 283 CO 0.61 0.47 -0.12 -1.50 0.00 0.00 0.00 175.76 175.22 1s97 s ILE 284 N -0.52 1.12 -0.21 0.00 2.07 -0.41 -2.14 121.20 121.11 1s97 s ILE 284 Ca 0.08 -0.46 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1s97 s ILE 284 Cb -0.09 -1.04 0.05 0.00 0.13 0.00 0.00 42.46 41.51 1s97 s ILE 284 CO -0.01 0.36 -0.07 -2.28 -1.91 0.00 0.00 174.94 171.03 1s97 s HIS 285 N 0.79 2.27 -0.21 3.50 5.65 0.96 -1.14 115.29 127.12 1s97 s HIS 285 Ca -0.12 -1.57 -0.18 0.00 0.25 0.00 0.00 55.06 53.44 1s97 s HIS 285 Cb -0.15 -1.55 -0.03 0.00 -1.18 0.00 0.00 32.58 29.66 1s97 s HIS 285 CO 0.02 -0.73 0.50 0.08 -0.65 0.00 0.00 174.74 173.95 1s97 s VAL 286 N 1.44 5.12 -0.03 0.89 1.01 0.22 -0.18 120.40 128.86 1s97 s VAL 286 Ca -0.03 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1s97 s VAL 286 Cb -0.17 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1s97 s VAL 286 CO -0.07 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 1s97 s VAL 287 N 1.69 3.44 -0.01 2.92 1.01 -0.11 -0.79 120.40 128.55 1s97 s VAL 287 Ca 0.23 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1s97 s VAL 287 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1s97 s VAL 287 CO 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.67 1s97 s ALA 288 N -0.85 0.39 -0.29 5.51 0.00 0.25 -0.67 121.76 126.10 1s97 s ALA 288 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1s97 s ALA 288 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1s97 s ALA 288 CO 0.03 0.05 0.14 0.08 0.00 0.00 0.00 175.76 176.06 1s97 s VAL 289 N 0.26 4.60 0.81 0.00 1.01 0.74 -1.39 120.40 126.44 1s97 s VAL 289 Ca -0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1s97 s VAL 289 Cb -0.06 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.11 1s97 s VAL 289 CO -0.00 0.15 1.09 0.42 0.00 0.00 0.00 175.10 176.75 1s97 s THR 290 N 1.63 3.04 0.47 3.92 -4.23 0.63 0.06 115.64 121.17 1s97 s THR 290 Ca 0.05 0.34 0.24 0.00 -1.18 0.00 0.00 61.69 61.14 1s97 s THR 290 Cb -0.17 -3.00 0.42 0.00 1.34 0.00 0.00 72.50 71.10 1s97 s THR 290 CO 0.06 -0.44 1.88 1.05 -0.54 0.00 0.00 174.62 176.62 1s97 h GLU 291 N -1.18 0.21 -0.73 3.99 4.11 -0.64 0.84 114.58 121.18 1s97 h GLU 291 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1s97 h GLU 291 Cb 1.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1s97 h GLU 291 CO 0.57 0.14 0.00 -0.40 0.07 0.00 0.00 179.01 179.39 1s97 n ASP 292 N -4.41 3.57 -0.58 3.06 5.68 -1.26 -4.88 116.55 117.72 1s97 n ASP 292 Ca 0.19 -2.48 -0.07 0.00 -0.50 0.00 0.00 54.79 51.93 1s97 n ASP 292 Cb 0.80 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 1s97 n ASP 292 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s97 n LEU 293 N 0.40 -0.74 -4.89 -2.12 7.99 0.29 -5.04 117.00 112.89 1s97 n LEU 293 Ca 0.16 0.11 -0.30 0.00 -0.01 0.00 0.00 56.01 55.97 1s97 n LEU 293 Cb 0.75 -1.25 -0.04 0.00 -0.11 0.00 0.00 43.42 42.77 1s97 n LEU 293 CO 0.18 -0.26 0.28 -1.81 -1.51 0.00 0.00 177.39 174.27 1s97 s ASP 294 N -2.86 6.51 -0.28 -1.43 -0.00 -1.24 -4.83 116.67 112.54 1s97 s ASP 294 Ca 0.00 0.88 -0.04 0.00 -0.00 0.00 0.00 52.55 53.40 1s97 s ASP 294 Cb 0.00 -2.21 0.02 0.00 -0.00 0.00 0.00 42.92 40.73 1s97 s ASP 294 CO 0.00 -0.23 0.01 -0.63 -0.00 0.00 0.00 175.17 174.32 1s97 s ILE 295 N -2.12 3.35 0.02 0.77 1.01 -1.26 -0.27 121.20 122.71 1s97 s ILE 295 Ca 0.47 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1s97 s ILE 295 Cb -0.11 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1s97 s ILE 295 CO 0.28 0.08 -0.22 0.68 0.00 0.00 0.00 174.94 175.76 1s97 s VAL 296 N 1.38 1.77 0.04 2.92 -7.23 -0.48 -5.00 120.40 113.80 1s97 s VAL 296 Ca 0.00 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 1s97 s VAL 296 Cb -0.17 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.27 1s97 s VAL 296 CO -0.01 0.32 0.28 -0.94 -0.31 0.00 0.00 175.10 174.45 1s97 s SER 297 N -0.98 -0.10 0.01 4.85 1.04 -1.26 -0.58 113.70 116.69 1s97 s SER 297 Ca 0.09 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1s97 s SER 297 Cb -0.09 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1s97 s SER 297 CO 0.01 -0.61 -0.06 -0.13 0.98 0.00 0.00 173.24 173.43 1s97 s ARG 298 N -2.57 0.47 0.27 4.02 1.81 0.03 -5.00 118.95 117.98 1s97 s ARG 298 Ca -0.05 -0.41 -0.18 0.00 -1.72 0.00 0.00 55.73 53.37 1s97 s ARG 298 Cb -0.01 -0.38 0.01 0.00 -0.45 0.00 0.00 34.95 34.13 1s97 s ARG 298 CO -0.04 0.09 0.63 0.20 -0.68 0.00 0.00 175.30 175.51 1s97 s GLY 299 N -0.68 0.16 -0.05 -3.53 0.00 -1.26 0.71 107.32 102.66 1s97 s GLY 299 Ca -0.02 -0.53 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 1s97 s GLY 299 CO 0.00 -0.30 0.34 -1.60 0.00 0.00 0.00 173.10 171.54 1s97 s ARG 300 N -3.91 0.60 -0.14 2.90 3.52 -0.29 -4.99 118.95 116.64 1s97 s ARG 300 Ca 0.15 0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1s97 s ARG 300 Cb -0.04 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1s97 s ARG 300 CO 0.08 -0.14 -0.06 0.99 -0.81 0.00 0.00 175.30 175.35 1s97 s THR 301 N -0.84 3.68 0.28 4.11 2.01 -1.26 -1.29 115.64 122.34 1s97 s THR 301 Ca -0.09 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1s97 s THR 301 Cb -0.04 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1s97 s THR 301 CO 0.03 0.52 0.32 -0.36 -0.69 0.00 0.00 174.62 174.44 1s97 s PHE 302 N 0.19 3.16 -2.00 4.92 0.40 0.16 -4.99 117.98 119.83 1s97 s PHE 302 Ca -0.03 -0.15 0.29 0.00 -0.60 0.00 0.00 56.93 56.43 1s97 s PHE 302 Cb -0.14 -1.66 1.72 0.00 0.51 0.00 0.00 43.02 43.44 1s97 s PHE 302 CO 0.03 0.31 2.07 -0.35 0.70 0.00 0.00 175.22 177.99 1s97 n PRO 303 N -1.39 0.94 -4.02 0.24 -0.04 -1.26 -4.79 135.00 124.69 1s97 n PRO 303 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1s97 n PRO 303 Cb 0.58 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1s97 n PRO 303 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1s97 s HIS 304 N -2.00 0.74 0.67 0.54 3.76 -1.26 -5.13 115.29 112.60 1s97 s HIS 304 Ca 0.43 -1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.09 1s97 s HIS 304 Cb 0.20 0.14 -0.01 0.00 1.11 0.00 0.00 32.58 34.02 1s97 s HIS 304 CO 0.33 -1.18 1.17 0.41 -0.85 0.00 0.00 174.74 174.62 1s97 n GLY 305 N -0.52 0.18 3.48 -2.22 0.00 -1.26 -4.42 105.19 100.43 1s97 n GLY 305 Ca -0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1s97 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 306 N -1.54 4.34 0.50 -0.61 1.01 0.15 -4.94 121.20 120.11 1s97 s ILE 306 Ca 0.79 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.13 1s97 s ILE 306 Cb -0.37 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 1s97 s ILE 306 CO 0.44 0.38 0.94 -0.94 0.00 0.00 0.00 174.94 175.75 1s97 s SER 307 N 1.28 6.56 0.22 3.58 1.04 -1.26 -4.60 113.70 120.51 1s97 s SER 307 Ca 0.05 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.83 1s97 s SER 307 Cb -0.15 -2.46 0.33 0.00 0.10 0.00 0.00 66.02 63.85 1s97 s SER 307 CO 0.03 -0.57 1.67 0.50 0.98 0.00 0.00 173.24 175.84 1s97 h LYS 308 N 0.86 0.14 -0.67 4.02 3.64 -1.99 0.32 116.57 122.89 1s97 h LYS 308 Ca -0.47 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1s97 h LYS 308 Cb 1.19 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1s97 h LYS 308 CO 0.62 0.09 0.39 0.93 -2.27 0.00 0.00 179.45 179.21 1s97 h GLU 309 N 0.15 0.70 -0.63 1.90 3.07 -2.00 -1.35 114.58 116.41 1s97 h GLU 309 Ca 0.35 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1s97 h GLU 309 Cb 0.57 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1s97 h GLU 309 CO -0.53 0.46 0.22 1.15 -1.40 0.00 0.00 179.01 178.91 1s97 h THR 310 N 0.72 1.24 -0.53 1.13 2.02 -1.37 -1.28 112.91 114.85 1s97 h THR 310 Ca 0.29 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.73 1s97 h THR 310 Cb 0.14 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1s97 h THR 310 CO -0.16 0.31 0.20 0.00 0.37 0.00 0.00 175.52 176.24 1s97 h ALA 311 N 1.08 0.66 0.40 6.16 0.00 -0.48 0.74 119.26 127.83 1s97 h ALA 311 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s97 h ALA 311 Cb 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1s97 h ALA 311 CO -0.01 -0.20 -0.44 1.88 0.00 0.00 0.00 179.25 180.49 1s97 h TYR 312 N 0.38 -1.21 0.12 0.00 0.05 -0.70 0.19 116.97 115.81 1s97 h TYR 312 Ca 0.26 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.06 1s97 h TYR 312 Cb 0.28 0.47 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1s97 h TYR 312 CO -0.16 -0.59 -0.23 1.03 -1.05 0.00 0.00 178.16 177.16 1s97 h SER 313 N -0.86 -0.64 -0.54 3.88 0.87 -0.59 -3.02 113.55 112.65 1s97 h SER 313 Ca -0.04 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1s97 h SER 313 Cb 0.78 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1s97 h SER 313 CO -0.09 -0.32 0.08 -0.08 -0.53 0.00 0.00 176.83 175.90 1s97 h GLU 314 N -0.43 0.89 -0.57 2.24 4.57 0.54 -3.08 114.58 118.75 1s97 h GLU 314 Ca 0.03 -0.24 0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1s97 h GLU 314 Cb 0.45 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1s97 h GLU 314 CO -0.13 0.87 0.38 0.66 -1.18 0.00 0.00 179.01 179.62 1s97 h SER 315 N 0.78 0.41 -0.31 1.04 4.64 -0.56 -0.80 113.55 118.76 1s97 h SER 315 Ca 0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1s97 h SER 315 Cb 0.42 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1s97 h SER 315 CO 0.01 0.26 -0.05 0.58 -0.87 0.00 0.00 176.83 176.76 1s97 h VAL 316 N 0.47 1.27 -0.46 0.95 2.07 -1.44 -0.30 116.25 118.81 1s97 h VAL 316 Ca 0.25 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.78 1s97 h VAL 316 Cb 0.39 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1s97 h VAL 316 CO -0.07 0.34 0.10 0.11 0.02 0.00 0.00 177.57 178.07 1s97 h LYS 317 N 0.36 0.23 -0.63 1.57 1.57 -1.14 -1.31 116.57 117.21 1s97 h LYS 317 Ca 0.08 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1s97 h LYS 317 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1s97 h LYS 317 CO 0.03 0.15 0.12 -0.07 -0.57 0.00 0.00 179.45 179.11 1s97 h LEU 318 N 0.23 0.98 -1.80 2.94 3.38 -1.14 -2.33 115.31 117.57 1s97 h LEU 318 Ca 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1s97 h LEU 318 Cb 0.28 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s97 h LEU 318 CO -0.29 0.98 -0.14 0.25 0.09 0.00 0.00 178.44 179.33 1s97 h LEU 319 N 0.94 0.00 -0.23 1.67 5.85 -0.47 -2.18 115.31 120.90 1s97 h LEU 319 Ca 0.19 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 1s97 h LEU 319 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1s97 h LEU 319 CO 0.01 0.14 -0.57 1.56 -0.34 0.00 0.00 178.44 179.24 1s97 h GLN 320 N 0.00 0.79 -0.89 1.25 4.20 -0.74 -2.43 115.11 117.29 1s97 h GLN 320 Ca -0.00 -0.54 0.08 0.00 0.06 0.00 0.00 58.65 58.24 1s97 h GLN 320 Cb 0.28 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 1s97 h GLN 320 CO 0.02 1.17 0.58 0.87 -0.67 0.00 0.00 178.83 180.79 1s97 h LYS 321 N 0.53 0.93 -0.21 1.46 1.57 -0.97 0.15 116.57 120.03 1s97 h LYS 321 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1s97 h LYS 321 Cb 1.18 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1s97 h LYS 321 CO 0.12 0.62 0.03 0.82 -0.57 0.00 0.00 179.45 180.46 1s97 h ILE 322 N 0.96 1.23 0.00 1.86 2.04 -1.34 -1.88 117.51 120.38 1s97 h ILE 322 Ca 0.39 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1s97 h ILE 322 Cb 0.28 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1s97 h ILE 322 CO -0.16 0.24 -0.08 -0.07 0.00 0.00 0.00 178.15 178.08 1s97 h LEU 323 N 0.15 0.00 0.00 1.44 3.38 -0.80 -1.10 115.31 118.38 1s97 h LEU 323 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1s97 h LEU 323 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1s97 h LEU 323 CO 0.01 0.08 -0.68 -0.33 0.09 0.00 0.00 178.44 177.61 1s97 h GLU 324 N 0.00 0.00 -0.13 1.13 5.08 -0.55 -3.36 114.58 116.75 1s97 h GLU 324 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s97 h GLU 324 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1s97 h GLU 324 CO 0.01 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 1s97 n GLU 325 N -2.92 2.26 -3.39 2.33 1.02 -0.72 -4.93 120.64 114.27 1s97 n GLU 325 Ca 0.00 -1.56 -0.10 0.00 -0.02 0.00 0.00 57.16 55.48 1s97 n GLU 325 Cb 0.62 -1.12 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 1s97 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s97 s ASP 326 N -0.88 0.29 0.52 1.62 -1.08 -0.45 -5.03 116.67 111.67 1s97 s ASP 326 Ca 0.10 0.26 0.30 0.00 -0.52 0.00 0.00 52.55 52.69 1s97 s ASP 326 Cb 0.05 1.07 1.29 0.00 -1.46 0.00 0.00 42.92 43.87 1s97 s ASP 326 CO 0.07 -0.29 1.97 -0.33 0.52 0.00 0.00 175.17 177.11 1s97 h GLU 327 N 8.20 0.00 -7.02 4.34 3.07 -1.86 -3.42 114.58 117.89 1s97 h GLU 327 Ca -0.19 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.14 1s97 h GLU 327 Cb 1.15 0.00 0.20 0.00 -0.84 0.00 0.00 28.75 29.26 1s97 h GLU 327 CO 0.26 0.10 -0.06 0.54 -1.40 0.00 0.00 179.01 178.44 1s97 n ARG 328 N -3.28 -0.11 -2.81 2.33 1.74 -1.26 -4.99 116.66 108.28 1s97 n ARG 328 Ca -0.00 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1s97 n ARG 328 Cb 0.32 -2.17 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 1s97 n ARG 328 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1s97 s LYS 329 N -3.93 3.71 0.04 5.56 1.02 -1.26 -4.90 119.74 119.98 1s97 s LYS 329 Ca 0.66 0.38 -0.07 0.00 0.02 0.00 0.00 55.97 56.96 1s97 s LYS 329 Cb -0.26 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1s97 s LYS 329 CO 0.59 -0.07 0.31 0.42 -0.92 0.00 0.00 175.35 175.67 1s97 s ILE 330 N -2.46 5.24 -0.14 2.17 1.01 0.30 0.08 121.20 127.40 1s97 s ILE 330 Ca 0.50 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 1s97 s ILE 330 Cb -0.10 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1s97 s ILE 330 CO 0.35 0.31 -0.17 -1.14 0.00 0.00 0.00 174.94 174.29 1s97 n ARG 331 N 0.95 0.30 -4.61 2.79 0.63 0.11 -1.02 116.66 115.81 1s97 n ARG 331 Ca -0.09 0.12 -0.23 0.00 -0.92 0.00 0.00 57.85 56.73 1s97 n ARG 331 Cb 0.52 -1.05 -0.15 0.00 0.45 0.00 0.00 32.46 32.24 1s97 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s97 s ARG 332 N -2.26 1.17 0.01 -0.14 0.52 -0.95 -1.40 118.95 115.90 1s97 s ARG 332 Ca -0.19 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1s97 s ARG 332 Cb 0.07 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 1s97 s ARG 332 CO 0.26 0.31 -0.11 -1.50 0.02 0.00 0.00 175.30 174.28 1s97 s ILE 333 N -0.50 0.84 0.31 1.52 1.10 -0.44 -0.18 121.20 123.85 1s97 s ILE 333 Ca 0.05 -0.69 -0.19 0.00 -0.51 0.00 0.00 60.65 59.32 1s97 s ILE 333 Cb -0.06 -0.75 0.03 0.00 0.15 0.00 0.00 42.46 41.82 1s97 s ILE 333 CO 0.00 0.07 0.72 -0.83 -2.11 0.00 0.00 174.94 172.79 1s97 s GLY 334 N -0.70 0.11 0.04 1.50 0.00 0.16 -0.97 107.32 107.46 1s97 s GLY 334 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1s97 s GLY 334 CO 0.00 -0.20 -0.09 0.54 0.00 0.00 0.00 173.10 173.35 1s97 s VAL 335 N -3.42 0.68 -0.02 1.40 0.11 0.34 -0.93 120.40 118.55 1s97 s VAL 335 Ca 0.13 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1s97 s VAL 335 Cb -0.05 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1s97 s VAL 335 CO 0.09 -0.29 0.00 -0.60 -3.33 0.00 0.00 175.10 170.97 1s97 s ARG 336 N -1.46 0.14 -0.08 1.54 3.52 0.75 -0.71 118.95 122.65 1s97 s ARG 336 Ca -0.07 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1s97 s ARG 336 Cb -0.09 -0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1s97 s ARG 336 CO 0.01 -0.09 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.27 1s97 s PHE 337 N 0.71 2.91 0.09 5.12 0.08 -0.33 -0.03 117.98 126.54 1s97 s PHE 337 Ca -0.07 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 56.93 1s97 s PHE 337 Cb -0.09 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1s97 s PHE 337 CO -0.02 0.26 0.12 -1.13 -0.10 0.00 0.00 175.22 174.36 1s97 n SER 338 N 2.41 -0.34 -3.51 1.36 3.41 -0.91 -0.99 113.62 115.06 1s97 n SER 338 Ca -0.18 -1.51 -0.20 0.00 -0.26 0.00 0.00 58.87 56.72 1s97 n SER 338 Cb 0.53 0.64 0.06 0.00 -0.26 0.00 0.00 64.21 65.18 1s97 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s97 n LYS 339 N -0.15 -3.78 -2.10 4.33 5.02 -1.24 -2.15 118.16 118.08 1s97 n LYS 339 Ca 0.00 0.71 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 1s97 n LYS 339 Cb 0.16 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1s97 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s97 s PHE 340 N -3.49 2.77 -2.00 2.13 0.08 -1.26 -2.12 117.98 114.09 1s97 s PHE 340 Ca 0.23 1.46 0.28 0.00 0.12 0.00 0.00 56.93 59.02 1s97 s PHE 340 Cb -0.05 -3.56 1.68 0.00 -0.57 0.00 0.00 43.02 40.52 1s97 s PHE 340 CO 0.78 -1.94 2.02 -0.89 -0.10 0.00 0.00 175.22 175.09