#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr6 s ASP 7 N 0.00 -0.85 0.23 4.04 3.68 -1.26 -5.06 116.67 117.46 1sr6 s ASP 7 Ca 0.00 1.37 -0.07 0.00 2.13 0.00 0.00 52.55 55.98 1sr6 s ASP 7 Cb 0.00 1.38 0.40 0.00 -1.45 0.00 0.00 42.92 43.25 1sr6 s ASP 7 CO 0.00 -0.23 1.67 -0.65 0.13 0.00 0.00 175.17 176.09 1sr6 h PRO 8 N 7.22 0.18 0.00 4.34 0.11 -2.05 -1.12 132.00 140.68 1sr6 h PRO 8 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sr6 h PRO 8 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sr6 h PRO 8 CO 0.18 0.12 0.00 -0.44 -0.21 0.00 0.00 178.00 177.64 1sr6 h ASP 9 N 0.18 0.00 -0.67 -2.05 3.32 -1.97 -2.31 116.42 112.92 1sr6 h ASP 9 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1sr6 h ASP 9 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1sr6 h ASP 9 CO -0.55 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.46 1sr6 n PHE 10 N -2.47 1.37 -0.32 4.55 3.01 -0.42 -4.59 117.46 118.59 1sr6 n PHE 10 Ca -0.01 -0.57 0.04 0.00 1.01 0.00 0.00 57.45 57.92 1sr6 n PHE 10 Cb 0.11 -0.18 0.18 0.00 -0.01 0.00 0.00 39.48 39.58 1sr6 n PHE 10 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1sr6 h GLN 11 N 4.15 0.85 -0.50 -1.08 4.15 -1.50 -1.88 115.11 119.31 1sr6 h GLN 11 Ca 0.00 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 1sr6 h GLN 11 Cb 1.33 -0.19 -0.09 0.00 0.21 0.00 0.00 27.48 28.74 1sr6 h GLN 11 CO 0.18 0.57 0.12 0.66 -1.93 0.00 0.00 178.83 178.42 1sr6 n TYR 12 N -4.69 1.66 -0.01 3.99 4.02 -1.26 -4.57 117.16 116.30 1sr6 n TYR 12 Ca 0.15 -1.23 -0.05 0.00 -0.01 0.00 0.00 57.90 56.76 1sr6 n TYR 12 Cb 0.28 -0.53 -0.02 0.00 -0.02 0.00 0.00 39.34 39.05 1sr6 n TYR 12 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1sr6 n LEU 13 N -0.56 0.92 -4.44 7.72 4.77 -0.74 -4.41 117.00 120.25 1sr6 n LEU 13 Ca 0.34 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.16 1sr6 n LEU 13 Cb 1.16 -0.33 -0.12 0.00 -2.33 0.00 0.00 43.42 41.80 1sr6 n LEU 13 CO 0.29 -0.24 -0.52 0.00 -1.33 0.00 0.00 177.39 175.60 1sr6 s ALA 14 N -2.18 2.55 0.19 -1.18 0.00 -0.99 -4.71 121.76 115.42 1sr6 s ALA 14 Ca -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1sr6 s ALA 14 Cb 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1sr6 s ALA 14 CO 0.12 0.57 0.00 0.28 0.00 0.00 0.00 175.76 176.73 1sr6 n VAL 15 N 1.19 0.00 -3.90 0.00 0.31 -1.26 -4.73 118.33 109.95 1sr6 n VAL 15 Ca -0.16 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.81 1sr6 n VAL 15 Cb 0.52 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.32 1sr6 n VAL 15 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sr6 s ASP 16 N -1.00 4.48 0.43 4.52 -0.00 -1.26 -4.93 116.67 118.92 1sr6 s ASP 16 Ca 0.00 -0.69 0.15 0.00 -0.00 0.00 0.00 52.55 52.01 1sr6 s ASP 16 Cb 0.00 -1.73 1.04 0.00 -0.00 0.00 0.00 42.92 42.23 1sr6 s ASP 16 CO 0.00 -0.11 1.96 0.08 -0.00 0.00 0.00 175.17 177.10 1sr6 h ARG 17 N 8.09 0.40 0.01 8.23 -0.00 -1.97 0.93 114.38 130.06 1sr6 h ARG 17 Ca -0.35 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.60 1sr6 h ARG 17 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 1sr6 h ARG 17 CO 0.59 0.26 -0.00 -0.22 -0.00 0.00 0.00 179.97 180.60 1sr6 h LYS 18 N 0.41 -0.01 0.00 0.08 3.11 -1.99 -2.64 116.57 115.54 1sr6 h LYS 18 Ca 0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1sr6 h LYS 18 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1sr6 h LYS 18 CO -0.09 -0.01 0.10 1.17 -2.81 0.00 0.00 179.45 177.81 1sr6 n LYS 19 N -2.06 0.00 -0.01 1.90 0.00 -1.05 0.56 118.16 117.49 1sr6 n LYS 19 Ca -0.00 0.30 0.10 0.00 0.00 0.00 0.00 58.31 58.70 1sr6 n LYS 19 Cb 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 35.03 33.28 1sr6 n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sr6 n LEU 20 N -1.27 0.00 0.15 3.14 7.99 0.30 -3.78 117.00 123.53 1sr6 n LEU 20 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.09 1sr6 n LEU 20 Cb 0.10 0.01 0.06 0.00 -0.11 0.00 0.00 43.42 43.47 1sr6 n LEU 20 CO 0.00 0.01 0.37 -0.03 -1.51 0.00 0.00 177.39 176.23 1sr6 h MET 21 N 0.00 0.00 -1.80 3.23 4.05 0.50 -3.26 114.93 117.65 1sr6 h MET 21 Ca -0.01 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.90 1sr6 h MET 21 Cb 0.93 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 31.54 1sr6 h MET 21 CO 0.00 0.10 0.53 1.63 0.23 0.00 0.00 176.91 179.41 1sr6 n LYS 22 N -2.95 2.34 -3.60 0.39 4.76 0.10 -4.61 118.16 114.59 1sr6 n LYS 22 Ca 0.01 -2.42 -0.31 0.00 -2.87 0.00 0.00 58.31 52.72 1sr6 n LYS 22 Cb 0.60 -2.06 -0.08 0.00 -1.84 0.00 0.00 35.03 31.65 1sr6 n LYS 22 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1sr6 n GLU 23 N 0.40 2.50 -0.41 1.97 0.00 -1.23 -4.93 120.64 118.94 1sr6 n GLU 23 Ca 0.47 -4.56 0.08 0.00 0.00 0.00 0.00 57.16 53.15 1sr6 n GLU 23 Cb 0.52 -2.33 0.26 0.00 0.00 0.00 0.00 31.44 29.89 1sr6 n GLU 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1sr6 n GLN 24 N 1.63 3.21 -0.15 3.44 6.02 -1.26 -4.62 117.38 125.64 1sr6 n GLN 24 Ca 0.24 -2.59 -0.01 0.00 -0.01 0.00 0.00 57.00 54.64 1sr6 n GLN 24 Cb 0.37 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1sr6 n GLN 24 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1sr6 n THR 25 N 0.47 1.30 0.00 5.09 -1.04 -1.26 -4.78 114.28 114.06 1sr6 n THR 25 Ca 0.20 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1sr6 n THR 25 Cb 0.73 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1sr6 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sr6 n ALA 26 N 0.72 0.00 -1.55 2.41 0.00 -1.26 -5.14 120.51 115.70 1sr6 n ALA 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1sr6 n ALA 26 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1sr6 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sr6 n ALA 27 N -0.91 0.00 -3.64 0.00 0.00 -1.26 -5.06 120.51 109.64 1sr6 n ALA 27 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1sr6 n ALA 27 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1sr6 n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sr6 s PHE 28 N 2.41 -0.82 -0.42 0.00 5.36 -1.26 -4.95 117.98 118.30 1sr6 s PHE 28 Ca 0.00 1.63 -0.06 0.00 -0.96 0.00 0.00 56.93 57.54 1sr6 s PHE 28 Cb 0.00 0.49 0.10 0.00 -0.34 0.00 0.00 43.02 43.27 1sr6 s PHE 28 CO 0.00 -0.40 0.24 0.34 -1.46 0.00 0.00 175.22 173.94 1sr6 s ASP 29 N 1.51 5.44 0.27 6.13 2.15 -1.26 -4.91 116.67 126.00 1sr6 s ASP 29 Ca -0.09 -1.84 0.15 0.00 0.43 0.00 0.00 52.55 51.19 1sr6 s ASP 29 Cb -0.04 -1.91 0.82 0.00 -0.30 0.00 0.00 42.92 41.49 1sr6 s ASP 29 CO -0.17 -0.57 1.42 0.61 -0.17 0.00 0.00 175.17 176.28 1sr6 n GLY 30 N 4.75 -0.71 0.08 2.66 0.00 -1.26 0.30 105.19 111.01 1sr6 n GLY 30 Ca -0.06 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1sr6 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sr6 h LYS 31 N 0.00 0.02 0.00 1.61 1.79 -2.00 -3.41 116.57 114.59 1sr6 h LYS 31 Ca 0.00 -0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.19 1sr6 h LYS 31 Cb 0.22 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1sr6 h LYS 31 CO 0.00 0.61 -1.89 1.63 -1.08 0.00 0.00 179.45 178.72 1sr6 n LYS 32 N -3.12 1.75 -2.96 3.15 4.01 0.66 -4.84 118.16 116.81 1sr6 n LYS 32 Ca -0.16 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.24 1sr6 n LYS 32 Cb 1.04 -1.33 -0.04 0.00 -0.51 0.00 0.00 35.03 34.19 1sr6 n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1sr6 s ASN 33 N -4.68 7.04 0.24 4.39 0.02 0.15 -0.75 114.94 121.34 1sr6 s ASN 33 Ca -0.08 1.26 -0.22 0.00 -1.02 0.00 0.00 52.86 52.80 1sr6 s ASN 33 Cb 0.04 -2.45 0.04 0.00 0.02 0.00 0.00 41.25 38.90 1sr6 s ASN 33 CO 0.51 -0.20 0.81 0.00 0.02 0.00 0.00 177.10 178.24 1sr6 s TRP 35 N -3.62 3.48 0.01 0.00 0.52 0.10 -0.44 118.94 118.99 1sr6 s TRP 35 Ca 0.12 0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.83 1sr6 s TRP 35 Cb -0.04 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1sr6 s TRP 35 CO 0.06 0.43 -0.02 0.08 0.02 0.00 0.00 176.95 177.52 1sr6 s VAL 36 N -1.65 0.09 0.29 4.03 1.01 -0.02 -2.21 120.40 121.94 1sr6 s VAL 36 Ca 0.41 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 1sr6 s VAL 36 Cb -0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 36.38 35.97 1sr6 s VAL 36 CO 0.24 -0.21 1.27 -2.65 0.00 0.00 0.00 175.10 173.75 1sr6 n PRO 37 N 2.40 1.93 -3.77 2.72 -0.02 -1.26 -0.06 135.00 136.95 1sr6 n PRO 37 Ca -0.17 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 1sr6 n PRO 37 Cb 0.58 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1sr6 n PRO 37 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sr6 s ASP 38 N -0.16 -0.01 0.40 2.55 -1.08 -0.26 -4.74 116.67 113.37 1sr6 s ASP 38 Ca 0.60 0.15 0.12 0.00 -0.52 0.00 0.00 52.55 52.91 1sr6 s ASP 38 Cb -0.63 0.05 0.84 0.00 -1.46 0.00 0.00 42.92 41.72 1sr6 s ASP 38 CO 0.58 -0.13 1.91 -0.08 0.52 0.00 0.00 175.17 177.97 1sr6 h GLU 39 N 7.19 0.08 0.02 4.34 4.81 -1.95 -0.48 114.58 128.59 1sr6 h GLU 39 Ca -0.43 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.50 1sr6 h GLU 39 Cb 1.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1sr6 h GLU 39 CO 0.46 0.31 -1.52 1.63 -0.73 0.00 0.00 179.01 179.15 1sr6 n LYS 40 N -4.23 0.60 -0.67 1.92 4.76 -1.26 -4.49 118.16 114.80 1sr6 n LYS 40 Ca -0.02 0.49 0.08 0.00 -2.87 0.00 0.00 58.31 55.99 1sr6 n LYS 40 Cb 0.31 -1.72 0.34 0.00 -1.84 0.00 0.00 35.03 32.12 1sr6 n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sr6 n GLU 41 N -4.23 3.95 0.00 1.97 -0.58 -1.25 -4.66 120.64 115.85 1sr6 n GLU 41 Ca -0.34 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.43 1sr6 n GLU 41 Cb 0.77 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1sr6 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sr6 n GLY 42 N 0.28 0.90 3.29 0.62 0.00 -0.19 -4.69 105.19 105.41 1sr6 n GLY 42 Ca 0.25 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 1sr6 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sr6 s PHE 43 N 0.00 1.46 -0.17 1.61 0.08 -1.26 -1.10 117.98 118.60 1sr6 s PHE 43 Ca 0.00 -1.26 -0.14 0.00 0.12 0.00 0.00 56.93 55.65 1sr6 s PHE 43 Cb 0.00 -0.81 0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1sr6 s PHE 43 CO 0.00 -0.44 0.44 0.00 -0.10 0.00 0.00 175.22 175.12 1sr6 s ALA 44 N -3.82 -1.11 0.36 5.36 0.00 0.92 -4.62 121.76 118.85 1sr6 s ALA 44 Ca 0.38 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.43 1sr6 s ALA 44 Cb 0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.28 1sr6 s ALA 44 CO 0.14 -0.23 1.33 0.45 0.00 0.00 0.00 175.76 177.45 1sr6 s SER 45 N 0.62 6.57 0.07 0.00 0.15 -1.26 -0.84 113.70 119.00 1sr6 s SER 45 Ca -0.03 2.74 -0.09 0.00 0.70 0.00 0.00 55.95 59.27 1sr6 s SER 45 Cb -0.05 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1sr6 s SER 45 CO -0.04 -0.68 0.19 0.00 1.20 0.00 0.00 173.24 173.91 1sr6 s ALA 46 N -1.17 -0.28 -0.31 5.45 0.00 0.41 -3.68 121.76 122.18 1sr6 s ALA 46 Ca 0.52 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 1sr6 s ALA 46 Cb -0.40 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1sr6 s ALA 46 CO 0.53 -0.44 0.00 -1.21 0.00 0.00 0.00 175.76 174.65 1sr6 s GLU 47 N -3.25 2.29 0.59 0.00 2.02 -0.04 -1.85 118.70 118.46 1sr6 s GLU 47 Ca 0.00 -1.37 -0.19 0.00 0.02 0.00 0.00 54.97 53.43 1sr6 s GLU 47 Cb 0.02 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1sr6 s GLU 47 CO -0.08 -0.67 1.08 -0.89 0.02 0.00 0.00 175.26 174.72 1sr6 n ILE 48 N 4.56 3.89 0.00 -1.63 5.41 0.07 -1.30 119.36 130.37 1sr6 n ILE 48 Ca -0.11 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1sr6 n ILE 48 Cb 0.43 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1sr6 n ILE 48 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1sr6 n GLN 49 N -1.12 0.00 -4.40 0.38 -0.06 0.17 -4.83 117.38 107.52 1sr6 n GLN 49 Ca 0.13 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.93 1sr6 n GLN 49 Cb 0.47 -0.07 -0.10 0.00 -4.06 0.00 0.00 30.24 26.48 1sr6 n GLN 49 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1sr6 s SER 50 N -3.12 1.94 -0.05 1.69 1.04 -1.23 -5.00 113.70 108.97 1sr6 s SER 50 Ca 0.00 -1.48 -0.04 0.00 0.48 0.00 0.00 55.95 54.91 1sr6 s SER 50 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1sr6 s SER 50 CO 0.00 -0.77 0.13 -0.94 0.98 0.00 0.00 173.24 172.64 1sr6 s SER 51 N -3.44 -0.13 -0.49 7.02 1.04 -1.26 -1.38 113.70 115.06 1sr6 s SER 51 Ca 0.34 0.27 0.08 0.00 0.48 0.00 0.00 55.95 57.12 1sr6 s SER 51 Cb 0.06 0.24 0.28 0.00 0.10 0.00 0.00 66.02 66.71 1sr6 s SER 51 CO 0.15 -0.07 0.68 0.29 0.98 0.00 0.00 173.24 175.27 1sr6 n LYS 52 N 3.33 1.64 0.00 4.02 5.02 -0.85 -5.02 118.16 126.30 1sr6 n LYS 52 Ca -0.16 -3.90 0.00 0.00 -2.02 0.00 0.00 58.31 52.23 1sr6 n LYS 52 Cb 0.57 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1sr6 n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sr6 n GLY 53 N 0.82 1.19 0.34 0.72 0.00 -1.26 -3.67 105.19 103.34 1sr6 n GLY 53 Ca 0.26 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1sr6 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sr6 n ASP 54 N 1.67 1.88 -4.30 1.61 10.43 -1.26 -4.89 116.55 121.69 1sr6 n ASP 54 Ca 0.00 -1.48 -0.46 0.00 2.57 0.00 0.00 54.79 55.42 1sr6 n ASP 54 Cb 0.00 -0.04 -0.05 0.00 1.84 0.00 0.00 41.12 42.87 1sr6 n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1sr6 s GLU 55 N -0.73 3.08 0.12 -1.24 2.02 -1.24 -1.29 118.70 119.43 1sr6 s GLU 55 Ca 0.11 -1.89 -0.16 0.00 0.02 0.00 0.00 54.97 53.05 1sr6 s GLU 55 Cb 0.07 -4.29 -0.07 0.00 0.10 0.00 0.00 34.13 29.94 1sr6 s GLU 55 CO 0.10 -1.31 0.55 0.42 0.02 0.00 0.00 175.26 175.04 1sr6 s ILE 56 N 1.24 4.83 -0.04 -1.63 -1.09 0.56 -2.00 121.20 123.06 1sr6 s ILE 56 Ca 0.07 0.95 0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1sr6 s ILE 56 Cb -0.25 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1sr6 s ILE 56 CO -0.00 0.35 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.02 1sr6 s THR 57 N -1.34 3.04 0.24 2.92 2.01 -0.48 -0.91 115.64 121.11 1sr6 s THR 57 Ca 0.35 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1sr6 s THR 57 Cb -0.16 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1sr6 s THR 57 CO 0.19 0.57 0.36 0.68 -0.69 0.00 0.00 174.62 175.73 1sr6 s VAL 58 N -0.75 0.00 -0.06 3.82 -7.23 -1.08 0.42 120.40 115.52 1sr6 s VAL 58 Ca 0.12 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1sr6 s VAL 58 Cb -0.11 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1sr6 s VAL 58 CO 0.01 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.03 1sr6 s LYS 59 N -4.02 2.37 -0.44 4.82 1.02 -0.42 -2.91 119.74 120.16 1sr6 s LYS 59 Ca 0.29 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 55.25 1sr6 s LYS 59 Cb 0.02 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1sr6 s LYS 59 CO 0.11 0.33 0.65 0.42 -0.92 0.00 0.00 175.35 175.93 1sr6 s ILE 60 N -0.07 4.82 0.38 2.17 -1.09 -1.22 -0.86 121.20 125.34 1sr6 s ILE 60 Ca -0.05 0.11 0.23 0.00 -2.23 0.00 0.00 60.65 58.71 1sr6 s ILE 60 Cb -0.13 -4.21 0.38 0.00 -1.58 0.00 0.00 42.46 36.91 1sr6 s ILE 60 CO 0.04 -0.61 1.59 0.58 -1.23 0.00 0.00 174.94 175.31 1sr6 h VAL 61 N 5.88 0.04 0.00 2.92 2.07 -1.94 1.26 116.25 126.48 1sr6 h VAL 61 Ca -0.25 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1sr6 h VAL 61 Cb 1.10 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1sr6 h VAL 61 CO 0.90 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.50 1sr6 n ALA 62 N -2.32 -0.28 1.21 1.67 0.00 -1.26 -3.96 120.51 115.56 1sr6 n ALA 62 Ca 0.38 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1sr6 n ALA 62 Cb 1.31 0.00 0.38 0.00 0.00 0.00 0.00 19.45 21.15 1sr6 n ALA 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sr6 n ASP 63 N -1.36 0.84 -2.05 0.00 5.68 -1.11 -4.97 116.55 113.58 1sr6 n ASP 63 Ca 0.00 -0.70 -0.19 0.00 -0.50 0.00 0.00 54.79 53.40 1sr6 n ASP 63 Cb 0.00 0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 1sr6 n ASP 63 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1sr6 n SER 64 N -0.87 -5.47 -1.51 -1.12 2.88 0.43 -4.99 113.62 102.97 1sr6 n SER 64 Ca 0.11 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1sr6 n SER 64 Cb 0.34 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1sr6 n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1sr6 n SER 65 N -1.54 0.00 -3.74 -3.46 3.41 -1.25 -4.74 113.62 102.30 1sr6 n SER 65 Ca -0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1sr6 n SER 65 Cb 0.66 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 1sr6 n SER 65 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sr6 s THR 66 N 1.35 -0.02 0.04 6.66 2.01 -1.26 -3.41 115.64 121.01 1sr6 s THR 66 Ca 0.00 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1sr6 s THR 66 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1sr6 s THR 66 CO 0.00 0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 173.95 1sr6 s ARG 67 N 0.81 0.51 -0.23 4.92 1.70 -1.15 -5.01 118.95 120.50 1sr6 s ARG 67 Ca -0.05 -0.93 -0.06 0.00 -0.47 0.00 0.00 55.73 54.23 1sr6 s ARG 67 Cb -0.06 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1sr6 s ARG 67 CO -0.06 -0.10 0.01 0.99 -1.08 0.00 0.00 175.30 175.07 1sr6 s THR 68 N -2.85 3.86 0.20 4.99 2.01 -1.26 -2.65 115.64 119.94 1sr6 s THR 68 Ca -0.03 -0.33 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1sr6 s THR 68 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1sr6 s THR 68 CO -0.06 0.39 -0.18 0.68 -0.69 0.00 0.00 174.62 174.75 1sr6 s VAL 69 N 1.47 1.99 0.08 3.82 -7.23 -0.09 -4.95 120.40 115.49 1sr6 s VAL 69 Ca 0.05 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 1sr6 s VAL 69 Cb -0.15 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1sr6 s VAL 69 CO 0.00 -0.37 1.06 -0.54 -0.31 0.00 0.00 175.10 174.94 1sr6 s LYS 70 N -3.10 4.57 0.57 4.82 1.02 -1.26 -0.32 119.74 126.04 1sr6 s LYS 70 Ca 0.20 1.58 0.31 0.00 0.02 0.00 0.00 55.97 58.09 1sr6 s LYS 70 Cb -0.05 -3.37 1.44 0.00 -0.52 0.00 0.00 37.83 35.33 1sr6 s LYS 70 CO 0.09 -0.02 1.81 -0.22 -0.92 0.00 0.00 175.35 176.09 1sr6 h LYS 71 N 6.17 0.00 0.00 1.68 3.64 -1.54 0.43 116.57 126.95 1sr6 h LYS 71 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1sr6 h LYS 71 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1sr6 h LYS 71 CO 0.75 0.00 -0.03 0.38 -2.27 0.00 0.00 179.45 178.28 1sr6 h ASP 72 N 0.00 0.00 0.50 4.20 2.03 -1.91 -3.22 116.42 118.02 1sr6 h ASP 72 Ca 0.38 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1sr6 h ASP 72 Cb 1.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.25 1sr6 h ASP 72 CO -0.00 0.01 -0.74 0.47 -1.03 0.00 0.00 179.24 177.94 1sr6 n ASP 73 N -2.31 0.62 -4.76 4.15 8.00 0.15 -4.90 116.55 117.50 1sr6 n ASP 73 Ca 0.05 -0.23 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 1sr6 n ASP 73 Cb 0.44 0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 1sr6 n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sr6 s ILE 74 N -3.10 3.77 -0.03 0.53 1.01 -1.17 -4.56 121.20 117.66 1sr6 s ILE 74 Ca 0.07 1.77 0.06 0.00 0.00 0.00 0.00 60.65 62.56 1sr6 s ILE 74 Cb 0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1sr6 s ILE 74 CO 0.75 0.41 -0.21 -1.10 0.00 0.00 0.00 174.94 174.79 1sr6 s GLN 75 N -1.35 1.85 0.54 2.79 -0.21 -0.94 -4.98 119.66 117.35 1sr6 s GLN 75 Ca 0.43 -0.76 -0.21 0.00 0.02 0.00 0.00 55.36 54.84 1sr6 s GLN 75 Cb -0.29 -1.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.93 1sr6 s GLN 75 CO 0.36 0.42 1.03 0.43 -2.12 0.00 0.00 175.29 175.41 1sr6 n SER 76 N 2.69 1.17 -4.34 5.90 7.64 -1.26 0.01 113.62 125.43 1sr6 n SER 76 Ca -0.16 0.90 -0.32 0.00 1.01 0.00 0.00 58.87 60.30 1sr6 n SER 76 Cb 0.53 -1.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.17 1sr6 n SER 76 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1sr6 s MET 77 N -2.53 3.06 0.39 1.43 1.75 -1.26 -4.58 119.30 117.57 1sr6 s MET 77 Ca 0.71 -0.76 -0.24 0.00 -1.25 0.00 0.00 55.69 54.15 1sr6 s MET 77 Cb -0.46 -2.45 -0.09 0.00 2.84 0.00 0.00 34.83 34.67 1sr6 s MET 77 CO 0.51 0.29 1.03 -0.80 -0.65 0.00 0.00 175.02 175.40 1sr6 s ASN 78 N 0.11 6.84 0.87 1.11 0.01 -1.26 -4.95 114.94 117.67 1sr6 s ASN 78 Ca -0.08 2.00 -0.10 0.00 -0.71 0.00 0.00 52.86 53.97 1sr6 s ASN 78 Cb -0.15 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.04 1sr6 s ASN 78 CO 0.05 -0.43 1.12 -2.84 -1.51 0.00 0.00 177.10 173.49 1sr6 s PRO 79 N -2.46 1.45 0.55 -0.60 0.02 -1.26 -4.88 135.00 127.83 1sr6 s PRO 79 Ca 0.57 1.36 0.30 0.00 0.02 0.00 0.00 61.00 63.25 1sr6 s PRO 79 Cb -0.21 -1.79 1.64 0.00 0.02 0.00 0.00 34.50 34.15 1sr6 s PRO 79 CO 0.27 -2.27 1.91 -1.35 -0.33 0.00 0.00 177.00 175.22 1sr6 h PRO 80 N -1.60 0.00 0.00 5.54 0.11 -1.95 -1.47 132.00 132.63 1sr6 h PRO 80 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sr6 h PRO 80 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sr6 h PRO 80 CO 0.46 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.61 1sr6 n LYS 81 N -2.70 0.31 -0.57 1.05 2.85 -1.26 -2.59 118.16 115.26 1sr6 n LYS 81 Ca -0.02 0.07 0.07 0.00 -1.05 0.00 0.00 58.31 57.38 1sr6 n LYS 81 Cb 0.22 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.39 1sr6 n LYS 81 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1sr6 n PHE 82 N -1.29 1.21 -2.02 5.58 3.01 -0.55 -4.99 117.46 118.41 1sr6 n PHE 82 Ca 0.11 -0.91 -0.41 0.00 1.01 0.00 0.00 57.45 57.24 1sr6 n PHE 82 Cb 0.19 -0.38 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 1sr6 n PHE 82 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1sr6 s GLU 83 N -2.86 4.27 -1.51 -1.08 0.41 -1.07 -3.16 118.70 113.70 1sr6 s GLU 83 Ca 0.45 2.29 -0.05 0.00 -0.41 0.00 0.00 54.97 57.25 1sr6 s GLU 83 Cb 0.36 -3.12 0.04 0.00 -1.78 0.00 0.00 34.13 29.64 1sr6 s GLU 83 CO 0.10 -0.43 0.47 1.63 -0.49 0.00 0.00 175.26 176.53 1sr6 n LYS 84 N 2.58 -2.97 -2.15 1.61 5.02 -1.26 -4.87 118.16 116.11 1sr6 n LYS 84 Ca 0.08 0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 56.33 1sr6 n LYS 84 Cb 0.40 -4.57 -0.02 0.00 -0.02 0.00 0.00 35.03 30.82 1sr6 n LYS 84 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sr6 s LEU 85 N -7.10 4.30 0.13 -0.35 2.96 -1.19 -4.94 118.68 112.48 1sr6 s LEU 85 Ca 0.21 2.58 -0.13 0.00 -0.22 0.00 0.00 54.13 56.56 1sr6 s LEU 85 Cb -0.11 -3.83 -0.03 0.00 0.50 0.00 0.00 46.19 42.71 1sr6 s LEU 85 CO 0.91 -0.67 1.51 -0.33 -1.32 0.00 0.00 176.35 176.45 1sr6 h GLU 86 N 2.95 0.82 -4.37 1.98 5.08 -1.94 -3.41 114.58 115.70 1sr6 h GLU 86 Ca -0.49 -0.35 -0.62 0.00 -1.00 0.00 0.00 59.36 56.90 1sr6 h GLU 86 Cb 1.24 -0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.07 1sr6 h GLU 86 CO 0.64 0.98 -0.77 0.34 -1.00 0.00 0.00 179.01 179.20 1sr6 s ASP 87 N -6.51 4.15 0.00 1.42 3.68 -1.26 -1.36 116.67 116.78 1sr6 s ASP 87 Ca -0.12 -1.49 0.07 0.00 2.13 0.00 0.00 52.55 53.14 1sr6 s ASP 87 Cb 0.10 -1.28 0.39 0.00 -1.45 0.00 0.00 42.92 40.69 1sr6 s ASP 87 CO 0.83 -0.29 0.83 0.23 0.13 0.00 0.00 175.17 176.91 1sr6 n MET 88 N 4.58 0.23 -0.11 4.34 2.81 -1.09 -2.06 117.12 125.82 1sr6 n MET 88 Ca -0.07 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1sr6 n MET 88 Cb 0.43 -1.45 0.10 0.00 -0.71 0.00 0.00 33.22 31.59 1sr6 n MET 88 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sr6 n ALA 89 N -0.95 2.47 0.03 3.04 0.00 -1.26 -3.03 120.51 120.81 1sr6 n ALA 89 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.11 1sr6 n ALA 89 Cb 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1sr6 n ALA 89 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sr6 n ASN 90 N 0.14 1.74 -4.68 0.00 3.02 -0.87 -4.87 115.26 109.74 1sr6 n ASN 90 Ca 0.07 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1sr6 n ASN 90 Cb 0.19 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.34 1sr6 n ASN 90 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1sr6 n MET 91 N -1.21 2.82 -0.29 3.52 2.81 -1.17 -4.87 117.12 118.74 1sr6 n MET 91 Ca 0.00 1.03 0.09 0.00 -1.81 0.00 0.00 57.70 57.01 1sr6 n MET 91 Cb 0.02 -2.95 0.22 0.00 -0.71 0.00 0.00 33.22 29.80 1sr6 n MET 91 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1sr6 h THR 92 N 5.04 0.25 -3.66 2.03 2.02 -1.95 -3.30 112.91 113.34 1sr6 h THR 92 Ca -0.48 -0.04 -0.69 0.00 0.77 0.00 0.00 66.41 65.98 1sr6 h THR 92 Cb 1.23 0.14 -0.29 0.00 -1.74 0.00 0.00 68.15 67.49 1sr6 h THR 92 CO 0.95 0.02 -0.63 -0.31 0.37 0.00 0.00 175.52 175.92 1sr6 s TYR 93 N -6.05 3.22 -0.52 3.16 2.02 -1.26 -4.51 117.35 113.41 1sr6 s TYR 93 Ca -0.13 -1.40 -0.08 0.00 -0.37 0.00 0.00 57.07 55.09 1sr6 s TYR 93 Cb 0.25 -2.24 0.13 0.00 -0.40 0.00 0.00 41.96 39.70 1sr6 s TYR 93 CO 0.76 -0.71 0.39 -1.17 -1.57 0.00 0.00 175.55 173.26 1sr6 s LEU 94 N 1.40 5.71 0.00 -1.29 2.96 -1.25 -4.80 118.68 121.41 1sr6 s LEU 94 Ca -0.01 -2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 51.75 1sr6 s LEU 94 Cb -0.19 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1sr6 s LEU 94 CO 0.02 -0.63 0.36 -0.46 -1.32 0.00 0.00 176.35 174.32 1sr6 n ASN 95 N 4.59 -1.00 -0.03 3.68 0.23 -1.26 -5.02 115.26 116.45 1sr6 n ASN 95 Ca -0.03 -2.37 -0.09 0.00 -0.53 0.00 0.00 54.58 51.57 1sr6 n ASN 95 Cb 0.41 1.86 -0.06 0.00 -2.08 0.00 0.00 39.78 39.91 1sr6 n ASN 95 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1sr6 h GLU 96 N 0.00 -0.29 -0.12 -3.83 5.08 -1.98 0.99 114.58 114.43 1sr6 h GLU 96 Ca -0.20 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1sr6 h GLU 96 Cb 0.86 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1sr6 h GLU 96 CO 0.27 -0.20 0.06 0.00 -1.00 0.00 0.00 179.01 178.15 1sr6 h ALA 97 N -0.73 0.16 -0.70 3.43 0.00 -1.98 -0.85 119.26 118.59 1sr6 h ALA 97 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1sr6 h ALA 97 Cb 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1sr6 h ALA 97 CO -0.28 -0.30 0.46 0.66 0.00 0.00 0.00 179.25 179.79 1sr6 h SER 98 N 0.09 0.55 0.02 0.00 4.64 -1.77 0.54 113.55 117.62 1sr6 h SER 98 Ca 0.04 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1sr6 h SER 98 Cb 0.08 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1sr6 h SER 98 CO -0.01 0.34 -0.75 0.58 -0.87 0.00 0.00 176.83 176.12 1sr6 h VAL 99 N 0.62 1.40 -0.82 0.95 2.07 -0.50 -2.60 116.25 117.37 1sr6 h VAL 99 Ca 0.32 -2.18 0.05 0.00 0.82 0.00 0.00 66.70 65.71 1sr6 h VAL 99 Cb 0.43 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 1sr6 h VAL 99 CO -0.11 0.64 0.51 0.25 0.02 0.00 0.00 177.57 178.89 1sr6 h LEU 100 N -0.01 0.83 -0.22 2.57 5.85 -0.40 -1.45 115.31 122.49 1sr6 h LEU 100 Ca -0.10 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1sr6 h LEU 100 Cb 1.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1sr6 h LEU 100 CO 0.15 0.55 -0.05 0.22 -0.34 0.00 0.00 178.44 178.97 1sr6 h TYR 101 N 0.97 0.47 -0.60 1.25 3.20 -0.96 -0.53 116.97 120.78 1sr6 h TYR 101 Ca 0.34 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1sr6 h TYR 101 Cb 0.09 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1sr6 h TYR 101 CO -0.03 0.65 0.34 -0.97 -1.64 0.00 0.00 178.16 176.51 1sr6 h ASN 102 N 0.15 0.72 -0.00 -2.11 -0.73 -1.09 -0.02 115.58 112.49 1sr6 h ASN 102 Ca 0.06 -0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 1sr6 h ASN 102 Cb 0.50 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.91 1sr6 h ASN 102 CO 0.02 0.57 -0.00 -0.07 -0.37 0.00 0.00 177.43 177.58 1sr6 h LEU 103 N 0.82 0.01 0.04 0.34 3.38 -1.11 -2.61 115.31 116.18 1sr6 h LEU 103 Ca 0.21 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1sr6 h LEU 103 Cb -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1sr6 h LEU 103 CO -0.04 0.52 -0.33 -0.09 0.09 0.00 0.00 178.44 178.60 1sr6 h ARG 104 N -0.51 -0.49 -0.15 1.13 2.43 -0.79 -0.48 114.38 115.52 1sr6 h ARG 104 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1sr6 h ARG 104 Cb 0.52 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1sr6 h ARG 104 CO 0.00 -0.33 -0.31 0.77 -1.51 0.00 0.00 179.97 178.60 1sr6 h SER 105 N -0.51 -0.97 -0.70 -3.80 0.02 -1.07 0.29 113.55 106.83 1sr6 h SER 105 Ca 0.05 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1sr6 h SER 105 Cb 0.57 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1sr6 h SER 105 CO -0.24 -0.35 0.37 0.03 -1.14 0.00 0.00 176.83 175.50 1sr6 h ARG 106 N -0.37 1.00 -0.14 3.45 3.08 -1.29 -2.68 114.38 117.44 1sr6 h ARG 106 Ca 0.10 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1sr6 h ARG 106 Cb 0.53 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1sr6 h ARG 106 CO -0.36 0.75 0.02 -0.92 -1.07 0.00 0.00 179.97 178.39 1sr6 h TYR 107 N 1.00 0.24 0.00 3.04 -0.00 -0.26 0.18 116.97 121.17 1sr6 h TYR 107 Ca 0.25 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.94 1sr6 h TYR 107 Cb 0.06 -0.07 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1sr6 h TYR 107 CO 0.01 0.42 -0.03 1.79 -0.00 0.00 0.00 178.16 180.35 1sr6 h THR 108 N -0.01 0.26 -0.04 1.81 1.35 -0.84 0.13 112.91 115.57 1sr6 h THR 108 Ca 0.04 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1sr6 h THR 108 Cb 0.31 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1sr6 h THR 108 CO 0.00 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 174.11 1sr6 n SER 109 N -3.38 1.09 0.00 5.36 7.64 -1.00 -4.90 113.62 118.43 1sr6 n SER 109 Ca -0.02 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1sr6 n SER 109 Cb 0.16 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1sr6 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sr6 n GLY 110 N 1.09 1.60 3.71 0.23 0.00 0.47 -5.00 105.19 107.28 1sr6 n GLY 110 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1sr6 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sr6 s LEU 111 N 0.00 4.36 -0.01 0.99 1.43 0.58 -4.92 118.68 121.12 1sr6 s LEU 111 Ca 0.00 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1sr6 s LEU 111 Cb 0.00 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 1sr6 s LEU 111 CO 0.00 -0.38 0.14 2.30 0.23 0.00 0.00 176.35 178.64 1sr6 n ILE 112 N 3.96 0.00 -3.70 -0.59 -5.35 -1.26 -2.69 119.36 109.73 1sr6 n ILE 112 Ca 0.08 -0.17 -0.35 0.00 -0.27 0.00 0.00 62.75 62.04 1sr6 n ILE 112 Cb 0.49 0.47 -0.08 0.00 -1.74 0.00 0.00 39.64 38.77 1sr6 n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1sr6 s TYR 113 N -2.26 3.39 -0.11 4.28 2.02 -1.26 -2.18 117.35 121.24 1sr6 s TYR 113 Ca -0.01 0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.96 1sr6 s TYR 113 Cb 0.04 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1sr6 s TYR 113 CO 0.23 0.24 0.26 0.99 -1.57 0.00 0.00 175.55 175.70 1sr6 s THR 114 N 0.52 -0.03 0.70 -0.71 2.01 -0.59 -4.62 115.64 112.93 1sr6 s THR 114 Ca 0.09 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1sr6 s THR 114 Cb -0.12 -0.39 0.08 0.00 0.01 0.00 0.00 72.50 72.08 1sr6 s THR 114 CO -0.00 0.05 1.00 -0.31 -0.69 0.00 0.00 174.62 174.67 1sr6 s TYR 115 N 1.05 2.60 -0.39 4.92 2.02 -0.47 -0.17 117.35 126.91 1sr6 s TYR 115 Ca -0.08 0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1sr6 s TYR 115 Cb -0.09 -3.18 0.28 0.00 -0.40 0.00 0.00 41.96 38.58 1sr6 s TYR 115 CO -0.07 -1.48 1.17 0.45 -1.57 0.00 0.00 175.55 174.05 1sr6 n SER 116 N -2.89 -1.86 0.00 2.29 2.88 -1.07 -2.68 113.62 110.29 1sr6 n SER 116 Ca 0.10 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 1sr6 n SER 116 Cb 0.60 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 65.35 1sr6 n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sr6 n GLY 117 N 1.15 1.08 0.14 0.46 0.00 -1.26 -3.33 105.19 103.42 1sr6 n GLY 117 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1sr6 n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sr6 h LEU 118 N 0.00 0.08-10.18 0.99 3.38 -1.98 -3.46 115.31 104.15 1sr6 h LEU 118 Ca 0.00 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 1sr6 h LEU 118 Cb 0.00 -0.02 0.13 0.00 0.09 0.00 0.00 40.66 40.85 1sr6 h LEU 118 CO 0.00 0.70 0.39 -0.36 0.09 0.00 0.00 178.44 179.26 1sr6 s PHE 119 N -3.60 2.35 -0.38 1.13 2.99 -1.21 -4.32 117.98 114.94 1sr6 s PHE 119 Ca -0.02 1.57 0.01 0.00 0.00 0.00 0.00 56.93 58.49 1sr6 s PHE 119 Cb 0.12 -3.33 0.13 0.00 0.00 0.00 0.00 43.02 39.95 1sr6 s PHE 119 CO 0.78 -2.12 0.20 0.00 -0.00 0.00 0.00 175.22 174.07 1sr6 s ILE 121 N 0.90 3.81 -0.13 0.00 1.09 0.76 -1.86 121.20 125.78 1sr6 s ILE 121 Ca 0.16 1.56 -0.01 0.00 -1.10 0.00 0.00 60.65 61.26 1sr6 s ILE 121 Cb -0.22 -4.00 0.04 0.00 -1.06 0.00 0.00 42.46 37.22 1sr6 s ILE 121 CO -0.06 0.27 -0.02 0.00 -0.10 0.00 0.00 174.94 175.03 1sr6 s ALA 122 N -0.21 1.10 -0.16 9.38 0.00 -0.30 -1.54 121.76 130.03 1sr6 s ALA 122 Ca 0.50 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 1sr6 s ALA 122 Cb -0.30 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1sr6 s ALA 122 CO 0.35 -0.67 0.26 0.08 0.00 0.00 0.00 175.76 175.78 1sr6 s VAL 123 N 1.80 5.32 -0.13 0.00 1.01 -0.93 -0.65 120.40 126.83 1sr6 s VAL 123 Ca 0.03 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1sr6 s VAL 123 Cb -0.14 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1sr6 s VAL 123 CO -0.07 0.42 2.11 0.21 0.00 0.00 0.00 175.10 177.77 1sr6 s ASN 124 N 0.28 5.83 0.42 3.32 3.84 -0.89 -4.82 114.94 122.92 1sr6 s ASN 124 Ca 0.15 2.16 0.21 0.00 0.21 0.00 0.00 52.86 55.59 1sr6 s ASN 124 Cb -0.13 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 1sr6 s ASN 124 CO 0.03 -1.62 1.82 1.55 -2.79 0.00 0.00 177.10 176.10 1sr6 h PRO 125 N 13.34 0.00 -4.17 0.43 0.13 -1.94 -3.44 132.00 136.35 1sr6 h PRO 125 Ca -0.44 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.29 1sr6 h PRO 125 Cb 1.24 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.40 1sr6 h PRO 125 CO 0.96 0.29 -0.59 0.66 -0.23 0.00 0.00 178.00 179.09 1sr6 n TYR 126 N -3.56 -1.74 -3.65 1.56 4.01 -1.26 -4.29 117.16 108.23 1sr6 n TYR 126 Ca -0.01 0.39 -0.02 0.00 -0.16 0.00 0.00 57.90 58.10 1sr6 n TYR 126 Cb 0.43 -4.30 -0.07 0.00 -0.31 0.00 0.00 39.34 35.09 1sr6 n TYR 126 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1sr6 s ARG 127 N -5.56 0.24 0.52 -0.72 1.70 -1.26 -4.59 118.95 109.29 1sr6 s ARG 127 Ca 0.23 0.36 -0.22 0.00 -0.47 0.00 0.00 55.73 55.64 1sr6 s ARG 127 Cb -0.10 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.30 1sr6 s ARG 127 CO 0.29 -0.04 1.31 1.03 -1.08 0.00 0.00 175.30 176.81 1sr6 s ARG 128 N 0.77 3.32 0.09 3.89 0.52 -1.26 -5.03 118.95 121.25 1sr6 s ARG 128 Ca -0.03 2.13 0.05 0.00 -0.52 0.00 0.00 55.73 57.36 1sr6 s ARG 128 Cb -0.04 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1sr6 s ARG 128 CO -0.12 -1.01 -0.13 -0.51 0.02 0.00 0.00 175.30 173.54 1sr6 s LEU 129 N -3.36 2.34 0.00 2.53 1.43 -1.26 -5.02 118.68 115.34 1sr6 s LEU 129 Ca 0.69 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1sr6 s LEU 129 Cb -0.38 -0.48 0.07 0.00 0.03 0.00 0.00 46.19 45.44 1sr6 s LEU 129 CO 0.45 -0.13 0.57 -2.65 0.23 0.00 0.00 176.35 174.82 1sr6 n PRO 130 N 0.94 0.51 0.25 1.29 -0.02 -1.26 -3.84 135.00 132.87 1sr6 n PRO 130 Ca -0.19 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.44 1sr6 n PRO 130 Cb 0.56 -1.04 0.54 0.00 -0.02 0.00 0.00 33.50 33.53 1sr6 n PRO 130 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sr6 h ILE 131 N 0.00 0.14 -0.89 4.25 2.04 -1.95 -3.32 117.51 117.76 1sr6 h ILE 131 Ca 0.00 -0.76 -0.53 0.00 1.00 0.00 0.00 64.86 64.57 1sr6 h ILE 131 Cb 0.00 1.67 -0.28 0.00 -0.74 0.00 0.00 36.82 37.47 1sr6 h ILE 131 CO 0.00 0.06 0.54 -1.22 0.00 0.00 0.00 178.15 177.53 1sr6 n TYR 132 N -3.16 2.83 -2.65 1.37 4.02 -1.25 -4.82 117.16 113.50 1sr6 n TYR 132 Ca 0.01 -2.24 -0.25 0.00 -0.01 0.00 0.00 57.90 55.42 1sr6 n TYR 132 Cb 0.38 -1.02 0.02 0.00 -0.02 0.00 0.00 39.34 38.70 1sr6 n TYR 132 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1sr6 s THR 133 N -3.88 3.81 0.15 -0.72 -4.23 -1.25 -4.93 115.64 104.58 1sr6 s THR 133 Ca 0.58 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.71 1sr6 s THR 133 Cb 0.48 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.87 1sr6 s THR 133 CO 0.05 -0.41 1.74 0.44 -0.54 0.00 0.00 174.62 175.89 1sr6 h ASP 134 N 0.08 0.04 -0.50 3.99 3.32 -1.95 -0.41 116.42 120.98 1sr6 h ASP 134 Ca -0.46 0.05 0.10 0.00 0.02 0.00 0.00 57.03 56.75 1sr6 h ASP 134 Cb 1.25 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.77 1sr6 h ASP 134 CO 0.59 0.06 -0.17 -1.28 -1.72 0.00 0.00 179.24 176.72 1sr6 h SER 135 N 0.20 -0.61 -0.74 6.45 0.87 -1.98 0.70 113.55 118.44 1sr6 h SER 135 Ca 0.16 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1sr6 h SER 135 Cb 0.16 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1sr6 h SER 135 CO -0.20 -0.21 0.46 0.58 -0.53 0.00 0.00 176.83 176.93 1sr6 h VAL 136 N -0.06 1.20 -0.63 2.23 2.07 -1.66 -2.71 116.25 116.69 1sr6 h VAL 136 Ca 0.24 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1sr6 h VAL 136 Cb 0.42 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1sr6 h VAL 136 CO -0.55 0.21 0.30 0.40 0.02 0.00 0.00 177.57 177.95 1sr6 h ILE 137 N 1.00 0.87 -0.52 4.57 2.04 0.73 -1.17 117.51 125.03 1sr6 h ILE 137 Ca 0.27 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1sr6 h ILE 137 Cb -0.06 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1sr6 h ILE 137 CO -0.05 0.10 0.36 0.00 0.00 0.00 0.00 178.15 178.56 1sr6 h ALA 138 N 1.38 2.26 -0.16 1.87 0.00 -0.88 -1.98 119.26 121.74 1sr6 h ALA 138 Ca 0.30 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1sr6 h ALA 138 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1sr6 h ALA 138 CO -0.24 -0.39 -0.58 0.87 0.00 0.00 0.00 179.25 178.91 1sr6 h LYS 139 N 0.18 0.52 0.00 0.00 1.57 -1.20 -3.25 116.57 114.38 1sr6 h LYS 139 Ca 0.25 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sr6 h LYS 139 Cb 0.74 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1sr6 h LYS 139 CO -0.04 0.95 -0.32 0.66 -0.57 0.00 0.00 179.45 180.14 1sr6 n TYR 140 N -3.94 0.64 -1.46 -1.35 4.02 -0.78 -4.73 117.16 109.57 1sr6 n TYR 140 Ca -0.03 0.18 -0.52 0.00 -0.01 0.00 0.00 57.90 57.53 1sr6 n TYR 140 Cb 0.62 -0.74 -0.07 0.00 -0.02 0.00 0.00 39.34 39.13 1sr6 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1sr6 n ARG 141 N -2.09 1.05 -0.96 -0.72 5.12 -1.02 -1.92 116.66 116.12 1sr6 n ARG 141 Ca 0.05 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 1sr6 n ARG 141 Cb 0.42 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 1sr6 n ARG 141 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sr6 n GLY 142 N 6.38 0.25 3.75 -0.13 0.00 -1.26 -5.00 105.19 109.19 1sr6 n GLY 142 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1sr6 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sr6 s LYS 143 N -1.04 4.36 0.60 1.61 -0.14 -0.81 -5.04 119.74 119.28 1sr6 s LYS 143 Ca 0.00 0.79 -0.19 0.00 -1.36 0.00 0.00 55.97 55.21 1sr6 s LYS 143 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1sr6 s LYS 143 CO 0.00 0.31 1.28 1.03 -0.76 0.00 0.00 175.35 177.21 1sr6 s ARG 144 N -0.02 2.87 0.51 1.68 0.52 -1.26 -4.83 118.95 118.42 1sr6 s ARG 144 Ca 0.33 2.04 0.28 0.00 -0.52 0.00 0.00 55.73 57.86 1sr6 s ARG 144 Cb -0.18 -2.00 1.39 0.00 0.52 0.00 0.00 34.95 34.68 1sr6 s ARG 144 CO 0.18 -1.34 1.88 0.87 0.02 0.00 0.00 175.30 176.91 1sr6 h LYS 145 N 0.95 0.09 0.05 3.54 1.57 -1.91 -2.35 116.57 118.50 1sr6 h LYS 145 Ca -0.51 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.03 1sr6 h LYS 145 Cb 1.31 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1sr6 h LYS 145 CO 0.55 0.06 -1.10 1.79 -0.57 0.00 0.00 179.45 180.18 1sr6 h THR 146 N 0.09 1.62 -0.17 -0.16 1.35 -1.98 -3.32 112.91 110.34 1sr6 h THR 146 Ca 0.44 -3.29 -0.09 0.00 -0.55 0.00 0.00 66.41 62.93 1sr6 h THR 146 Cb 1.59 2.88 -0.05 0.00 -1.73 0.00 0.00 68.15 70.84 1sr6 h THR 146 CO -0.05 0.94 0.11 -1.84 -0.25 0.00 0.00 175.52 174.43 1sr6 n GLU 147 N -3.41 1.25 -3.61 4.72 0.28 -0.88 -4.83 120.64 114.15 1sr6 n GLU 147 Ca -0.03 -0.54 -0.07 0.00 -0.16 0.00 0.00 57.16 56.36 1sr6 n GLU 147 Cb 0.97 -1.23 -0.05 0.00 1.43 0.00 0.00 31.44 32.56 1sr6 n GLU 147 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1sr6 s ILE 148 N -0.63 0.00 0.32 3.84 2.07 -1.25 -4.91 121.20 120.65 1sr6 s ILE 148 Ca 0.10 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.08 1sr6 s ILE 148 Cb 0.08 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.54 1sr6 s ILE 148 CO 0.02 0.00 0.85 -2.65 -1.91 0.00 0.00 174.94 171.25 1sr6 n PRO 149 N 0.79 1.00 -1.61 3.50 -0.02 -1.26 -4.86 135.00 132.54 1sr6 n PRO 149 Ca -0.06 0.36 -0.46 0.00 -2.02 0.00 0.00 63.50 61.31 1sr6 n PRO 149 Cb 0.58 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1sr6 n PRO 149 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sr6 n PRO 150 N 0.66 1.52 -3.55 0.52 -0.02 -1.26 -4.98 135.00 127.88 1sr6 n PRO 150 Ca 0.11 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1sr6 n PRO 150 Cb 0.33 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1sr6 n PRO 150 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1sr6 s HIS 151 N -0.40 -0.45 0.25 6.00 2.46 -1.26 -4.64 115.29 117.25 1sr6 s HIS 151 Ca 0.67 0.75 -0.04 0.00 0.47 0.00 0.00 55.06 56.92 1sr6 s HIS 151 Cb -0.74 0.44 0.30 0.00 -0.13 0.00 0.00 32.58 32.45 1sr6 s HIS 151 CO 0.54 -0.44 1.80 1.25 -2.47 0.00 0.00 174.74 175.42 1sr6 h LEU 152 N 2.65 0.90 -2.16 8.88 5.85 -1.97 -2.30 115.31 127.16 1sr6 h LEU 152 Ca -0.21 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1sr6 h LEU 152 Cb 1.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1sr6 h LEU 152 CO 0.33 0.85 0.28 -0.26 -0.34 0.00 0.00 178.44 179.31 1sr6 h PHE 153 N 0.93 0.00 0.03 1.25 -1.00 -1.96 0.32 116.94 116.51 1sr6 h PHE 153 Ca 0.20 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.76 1sr6 h PHE 153 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1sr6 h PHE 153 CO 0.02 0.00 -1.07 1.03 -1.61 0.00 0.00 178.31 176.68 1sr6 h SER 154 N 0.00 0.10 0.31 2.17 0.87 -1.78 0.50 113.55 115.73 1sr6 h SER 154 Ca 0.10 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1sr6 h SER 154 Cb 0.67 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1sr6 h SER 154 CO -0.00 1.08 -0.58 0.58 -0.53 0.00 0.00 176.83 177.38 1sr6 h VAL 155 N 0.02 1.37 0.11 2.23 2.07 -0.99 -1.85 116.25 119.21 1sr6 h VAL 155 Ca -0.04 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1sr6 h VAL 155 Cb 1.82 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1sr6 h VAL 155 CO 0.15 0.57 -0.05 0.00 0.02 0.00 0.00 177.57 178.25 1sr6 h ALA 156 N 1.18 -0.15 0.28 1.67 0.00 -1.38 -2.71 119.26 118.15 1sr6 h ALA 156 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sr6 h ALA 156 Cb 1.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1sr6 h ALA 156 CO 0.09 -0.23 -0.37 0.22 0.00 0.00 0.00 179.25 178.97 1sr6 h ASP 157 N -0.87 -1.02 -0.78 0.00 1.82 -0.93 -0.99 116.42 113.65 1sr6 h ASP 157 Ca -0.02 0.10 0.16 0.00 -0.39 0.00 0.00 57.03 56.88 1sr6 h ASP 157 Cb 0.55 0.36 -0.05 0.00 0.68 0.00 0.00 39.33 40.87 1sr6 h ASP 157 CO 0.03 -0.49 0.52 0.78 -1.61 0.00 0.00 179.24 178.47 1sr6 h ASN 158 N -0.70 0.39 -0.10 2.28 2.35 -1.47 0.13 115.58 118.46 1sr6 h ASN 158 Ca -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1sr6 h ASN 158 Cb 0.66 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1sr6 h ASN 158 CO -0.12 0.19 0.06 0.00 -1.65 0.00 0.00 177.43 175.92 1sr6 h ALA 159 N 1.64 0.12 0.54 -0.83 0.00 -0.88 0.12 119.26 119.97 1sr6 h ALA 159 Ca 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1sr6 h ALA 159 Cb 0.91 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sr6 h ALA 159 CO -0.13 -0.38 -0.26 -0.92 0.00 0.00 0.00 179.25 177.57 1sr6 h TYR 160 N 0.12 -0.67 0.00 0.00 3.20 0.28 -0.98 116.97 118.92 1sr6 h TYR 160 Ca 0.04 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1sr6 h TYR 160 Cb 0.00 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1sr6 h TYR 160 CO -0.07 -0.40 -0.00 0.37 -1.64 0.00 0.00 178.16 176.42 1sr6 h GLN 161 N -0.75 0.00 0.06 1.82 5.75 -0.82 0.23 115.11 121.40 1sr6 h GLN 161 Ca -0.07 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.16 1sr6 h GLN 161 Cb 0.56 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.13 1sr6 h GLN 161 CO 0.12 0.00 -1.10 -0.91 -2.65 0.00 0.00 178.83 174.30 1sr6 h ASN 162 N 0.00 0.68 -0.48 -0.69 4.21 -0.14 -1.80 115.58 117.36 1sr6 h ASN 162 Ca -0.00 -0.59 -0.02 0.00 1.21 0.00 0.00 56.30 56.90 1sr6 h ASN 162 Cb 0.02 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 1sr6 h ASN 162 CO 0.00 1.41 0.23 -0.03 -1.29 0.00 0.00 177.43 177.75 1sr6 h MET 163 N 0.24 0.69 0.24 0.81 4.05 0.35 0.10 114.93 121.42 1sr6 h MET 163 Ca -0.13 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1sr6 h MET 163 Cb 1.76 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1sr6 h MET 163 CO 0.20 0.58 -0.12 0.28 0.23 0.00 0.00 176.91 178.08 1sr6 h VAL 164 N 0.63 0.71 0.09 -5.77 2.07 -1.37 -0.46 116.25 112.15 1sr6 h VAL 164 Ca 0.16 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1sr6 h VAL 164 Cb 0.12 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1sr6 h VAL 164 CO -0.02 0.16 -0.29 0.74 0.02 0.00 0.00 177.57 178.18 1sr6 h THR 165 N -0.85 0.37 0.00 2.57 2.02 -1.31 -3.17 112.91 112.53 1sr6 h THR 165 Ca -0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1sr6 h THR 165 Cb 0.51 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1sr6 h THR 165 CO 0.05 0.00 -0.90 0.44 0.37 0.00 0.00 175.52 175.48 1sr6 h ASP 166 N -0.49 0.00 -5.01 4.18 3.32 -0.93 -3.49 116.42 114.00 1sr6 h ASP 166 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1sr6 h ASP 166 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1sr6 h ASP 166 CO -0.19 0.26 -0.06 0.54 -1.72 0.00 0.00 179.24 178.07 1sr6 n ARG 167 N -2.90 -1.25 -3.57 3.56 5.12 -0.18 -5.05 116.66 112.40 1sr6 n ARG 167 Ca -0.02 1.42 -0.13 0.00 -1.93 0.00 0.00 57.85 57.20 1sr6 n ARG 167 Cb 0.67 -5.12 -0.06 0.00 -1.16 0.00 0.00 32.46 26.79 1sr6 n ARG 167 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1sr6 s GLU 168 N -2.91 0.74 0.67 5.56 2.12 -1.23 -5.08 118.70 118.57 1sr6 s GLU 168 Ca 0.03 0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 1sr6 s GLU 168 Cb -0.01 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1sr6 s GLU 168 CO 0.64 -0.21 1.28 -0.80 -0.54 0.00 0.00 175.26 175.64 1sr6 s ASN 169 N -0.88 4.45 0.08 -1.70 0.01 -1.26 -4.48 114.94 111.15 1sr6 s ASN 169 Ca -0.04 2.60 0.09 0.00 -0.71 0.00 0.00 52.86 54.80 1sr6 s ASN 169 Cb -0.01 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1sr6 s ASN 169 CO 0.03 -2.11 -0.24 -1.10 -1.51 0.00 0.00 177.10 172.18 1sr6 s GLN 170 N -3.48 1.44 -0.04 -0.60 -1.52 -0.67 -0.87 119.66 113.91 1sr6 s GLN 170 Ca 0.81 -1.13 0.01 0.00 -1.95 0.00 0.00 55.36 53.10 1sr6 s GLN 170 Cb -0.36 -1.70 0.02 0.00 -0.22 0.00 0.00 33.01 30.75 1sr6 s GLN 170 CO 0.41 0.42 -0.04 -1.54 -0.25 0.00 0.00 175.29 174.29 1sr6 s SER 171 N -1.57 0.92 -0.37 5.90 1.04 -0.42 -0.05 113.70 119.15 1sr6 s SER 171 Ca 0.10 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 1sr6 s SER 171 Cb -0.10 -0.42 0.09 0.00 0.10 0.00 0.00 66.02 65.69 1sr6 s SER 171 CO 0.03 -0.07 0.14 0.00 0.98 0.00 0.00 173.24 174.33 1sr6 s LEU 173 N 1.18 4.17 -0.20 0.00 1.02 0.17 -1.29 118.68 123.74 1sr6 s LEU 173 Ca 0.04 0.33 -0.04 0.00 0.02 0.00 0.00 54.13 54.48 1sr6 s LEU 173 Cb -0.22 -2.90 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 1sr6 s LEU 173 CO -0.03 -0.62 -0.03 -0.63 0.02 0.00 0.00 176.35 175.07 1sr6 s ILE 174 N 2.84 3.67 0.09 -0.59 1.01 -1.07 -0.63 121.20 126.52 1sr6 s ILE 174 Ca 0.28 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1sr6 s ILE 174 Cb -0.14 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1sr6 s ILE 174 CO 0.15 0.44 0.02 0.35 0.00 0.00 0.00 174.94 175.89 1sr6 n THR 175 N 4.34 0.00 0.00 2.92 -2.24 -0.76 -3.73 114.28 114.81 1sr6 n THR 175 Ca -0.18 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1sr6 n THR 175 Cb 0.52 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1sr6 n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sr6 n GLY 176 N 2.23 3.82 2.17 3.38 0.00 -1.26 -2.18 105.19 113.34 1sr6 n GLY 176 Ca -0.02 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 1sr6 n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sr6 n GLU 177 N -1.46 -2.75 -2.46 1.61 1.02 -1.26 -2.30 120.64 113.03 1sr6 n GLU 177 Ca 0.00 -1.06 -0.41 0.00 -0.02 0.00 0.00 57.16 55.67 1sr6 n GLU 177 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1sr6 n GLU 177 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sr6 s SER 178 N -3.20 7.19 0.00 1.62 0.15 -1.26 -2.86 113.70 115.34 1sr6 s SER 178 Ca 0.44 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.21 1sr6 s SER 178 Cb -0.05 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1sr6 s SER 178 CO 0.35 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1sr6 n GLY 179 N 2.25 0.67 0.09 9.45 0.00 -1.26 -4.84 105.19 111.55 1sr6 n GLY 179 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1sr6 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sr6 n ALA 180 N 0.55 2.25 -0.92 4.61 0.00 -1.13 -4.79 120.51 121.08 1sr6 n ALA 180 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1sr6 n ALA 180 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1sr6 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sr6 n GLY 181 N 1.26 1.02 0.13 0.00 0.00 -1.26 -4.18 105.19 102.15 1sr6 n GLY 181 Ca 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1sr6 n GLY 181 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sr6 h LYS 182 N 0.00 0.14 -0.05 1.61 2.10 -1.89 -2.52 116.57 115.97 1sr6 h LYS 182 Ca 0.00 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1sr6 h LYS 182 Cb 0.39 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1sr6 h LYS 182 CO 0.00 0.86 0.02 1.15 -2.00 0.00 0.00 179.45 179.48 1sr6 h THR 183 N 0.08 1.12 0.00 0.07 2.02 -1.97 0.18 112.91 114.41 1sr6 h THR 183 Ca -0.03 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1sr6 h THR 183 Cb 1.39 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1sr6 h THR 183 CO 0.12 0.10 -0.21 -0.08 0.37 0.00 0.00 175.52 175.81 1sr6 h GLU 184 N -0.07 0.00 -0.17 6.66 4.81 -1.98 -1.84 114.58 121.99 1sr6 h GLU 184 Ca 0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1sr6 h GLU 184 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1sr6 h GLU 184 CO -0.00 0.21 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.33 1sr6 h ASN 185 N 0.00 0.52 -0.57 1.04 2.35 -0.96 -1.47 115.58 116.50 1sr6 h ASN 185 Ca -0.00 -0.52 0.04 0.00 -0.55 0.00 0.00 56.30 55.27 1sr6 h ASN 185 Cb 0.45 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1sr6 h ASN 185 CO 0.03 0.94 0.32 0.74 -1.65 0.00 0.00 177.43 177.81 1sr6 h THR 186 N 0.12 1.02 -0.03 2.81 2.02 -0.12 -1.13 112.91 117.61 1sr6 h THR 186 Ca 0.02 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1sr6 h THR 186 Cb 0.82 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1sr6 h THR 186 CO 0.06 0.11 -0.06 0.50 0.37 0.00 0.00 175.52 176.51 1sr6 h LYS 187 N 0.63 -0.08 -0.55 6.66 3.64 -1.28 -2.35 116.57 123.24 1sr6 h LYS 187 Ca 0.24 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1sr6 h LYS 187 Cb 0.08 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 1sr6 h LYS 187 CO -0.13 -0.06 0.08 0.87 -2.27 0.00 0.00 179.45 177.94 1sr6 h LYS 188 N -0.09 0.20 -0.70 1.90 6.56 -0.62 0.12 116.57 123.93 1sr6 h LYS 188 Ca 0.03 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.71 1sr6 h LYS 188 Cb 0.13 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.68 1sr6 h LYS 188 CO -0.08 0.13 0.35 0.28 -2.06 0.00 0.00 179.45 178.06 1sr6 h VAL 189 N 0.20 0.84 0.39 0.50 2.07 -0.81 -1.14 116.25 118.30 1sr6 h VAL 189 Ca 0.28 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1sr6 h VAL 189 Cb 0.41 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1sr6 h VAL 189 CO -0.40 0.11 -0.19 0.40 0.02 0.00 0.00 177.57 177.52 1sr6 h ILE 190 N 0.59 0.57 -1.28 4.57 1.08 -0.60 -2.01 117.51 120.42 1sr6 h ILE 190 Ca 0.35 -0.49 0.37 0.00 -0.39 0.00 0.00 64.86 64.70 1sr6 h ILE 190 Cb 0.37 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1sr6 h ILE 190 CO -0.27 0.08 0.92 -0.03 -0.69 0.00 0.00 178.15 178.16 1sr6 h MET 191 N -0.82 0.02 0.17 2.37 1.85 -0.46 0.80 114.93 118.86 1sr6 h MET 191 Ca -0.05 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 1sr6 h MET 191 Cb 0.54 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1sr6 h MET 191 CO 0.09 0.01 -0.08 -0.92 -0.40 0.00 0.00 176.91 175.61 1sr6 h TYR 192 N 0.02 -0.21 -0.14 1.39 5.03 -0.98 -2.74 116.97 119.34 1sr6 h TYR 192 Ca 0.62 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.96 1sr6 h TYR 192 Cb 2.43 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 40.78 1sr6 h TYR 192 CO -0.00 0.15 0.11 -0.07 -1.32 0.00 0.00 178.16 177.04 1sr6 h LEU 193 N -0.95 0.00 -0.31 2.82 3.38 -0.37 0.96 115.31 120.84 1sr6 h LEU 193 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sr6 h LEU 193 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sr6 h LEU 193 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1sr6 h ALA 194 N 1.91 1.00 -0.55 1.53 0.00 -0.97 -2.59 119.26 119.60 1sr6 h ALA 194 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sr6 h ALA 194 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sr6 h ALA 194 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.42 1sr6 n LYS 195 N -2.94 3.18 0.00 0.00 4.81 0.30 -3.89 118.16 119.62 1sr6 n LYS 195 Ca 0.04 -2.61 0.00 0.00 -0.87 0.00 0.00 58.31 54.87 1sr6 n LYS 195 Cb 0.46 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.87 1sr6 n LYS 195 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1sr6 n VAL 196 N 0.91 0.00 -2.93 3.15 0.24 -1.03 -4.87 118.33 113.80 1sr6 n VAL 196 Ca 0.21 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.27 1sr6 n VAL 196 Cb 0.70 1.46 0.04 0.00 -1.47 0.00 0.00 33.84 34.57 1sr6 n VAL 196 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr6 n ALA 197 N -0.09 0.58 -2.69 2.33 0.00 -0.98 -5.05 120.51 114.60 1sr6 n ALA 197 Ca 0.00 -2.35 -0.37 0.00 0.00 0.00 0.00 53.44 50.72 1sr6 n ALA 197 Cb 0.12 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 1sr6 n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sr6 n ALA 199 N 3.10 0.00 0.00 0.00 0.00 -1.26 -4.94 120.51 117.41 1sr6 n ALA 199 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1sr6 n ALA 199 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1sr6 n ALA 199 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1sr6 n VAL 200 N -0.36 0.00 -0.53 0.00 0.24 -1.26 -5.00 118.33 111.42 1sr6 n VAL 200 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1sr6 n VAL 200 Cb 0.00 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.42 1sr6 n VAL 200 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sr6 n GLY 213 N -0.11 -0.85 3.65 7.63 0.00 -1.26 -5.25 105.19 109.00 1sr6 n GLY 213 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1sr6 n GLY 213 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sr6 n SER 214 N 0.80 0.33 -0.14 1.61 7.64 -1.26 -4.77 113.62 117.83 1sr6 n SER 214 Ca 0.02 0.49 -0.05 0.00 1.01 0.00 0.00 58.87 60.35 1sr6 n SER 214 Cb 0.11 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 61.87 1sr6 n SER 214 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sr6 h LEU 215 N -1.37 -0.76 -0.75 -3.43 -0.00 -2.00 0.96 115.31 107.96 1sr6 h LEU 215 Ca -0.45 0.17 0.15 0.00 -0.00 0.00 0.00 57.88 57.76 1sr6 h LEU 215 Cb 1.29 0.41 -0.10 0.00 -0.00 0.00 0.00 40.66 42.25 1sr6 h LEU 215 CO 0.43 -0.25 0.27 -0.33 -0.00 0.00 0.00 178.44 178.56 1sr6 h GLU 216 N -0.13 0.38 -0.69 1.13 3.07 -1.98 -1.05 114.58 115.31 1sr6 h GLU 216 Ca 0.21 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 59.16 1sr6 h GLU 216 Cb 0.46 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.20 1sr6 h GLU 216 CO -0.53 0.25 0.28 -0.44 -1.40 0.00 0.00 179.01 177.17 1sr6 h ASP 217 N 0.40 0.28 -0.27 1.42 3.45 -1.14 -1.05 116.42 119.50 1sr6 h ASP 217 Ca 0.42 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.94 1sr6 h ASP 217 Cb 0.67 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1sr6 h ASP 217 CO -0.43 0.14 0.06 -0.61 -1.57 0.00 0.00 179.24 176.83 1sr6 h GLN 218 N 0.45 0.44 -0.51 3.56 4.15 -0.79 0.85 115.11 123.26 1sr6 h GLN 218 Ca 0.36 -0.11 0.15 0.00 0.77 0.00 0.00 58.65 59.82 1sr6 h GLN 218 Cb 0.48 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1sr6 h GLN 218 CO -0.34 0.53 0.38 0.82 -1.93 0.00 0.00 178.83 178.29 1sr6 h ILE 219 N 0.27 0.71 0.21 2.39 2.04 -0.91 0.23 117.51 122.45 1sr6 h ILE 219 Ca 0.09 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.60 1sr6 h ILE 219 Cb 0.29 0.73 0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1sr6 h ILE 219 CO 0.00 0.00 -1.66 0.40 0.00 0.00 0.00 178.15 176.89 1sr6 h ILE 220 N 0.00 1.06 0.00 -0.67 1.08 0.06 -3.35 117.51 115.69 1sr6 h ILE 220 Ca 0.24 -2.58 -0.11 0.00 -0.39 0.00 0.00 64.86 62.02 1sr6 h ILE 220 Cb 1.00 2.87 -0.02 0.00 -3.07 0.00 0.00 36.82 37.60 1sr6 h ILE 220 CO -0.00 0.84 -0.54 1.56 -0.69 0.00 0.00 178.15 179.31 1sr6 h GLN 221 N 0.12 0.00 -0.21 2.37 1.08 0.19 -2.96 115.11 115.70 1sr6 h GLN 221 Ca -0.31 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1sr6 h GLN 221 Cb 2.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.55 1sr6 h GLN 221 CO 0.22 0.54 0.27 0.00 -0.95 0.00 0.00 178.83 178.91 1sr6 h ALA 222 N 1.46 1.80 0.96 3.87 0.00 -0.73 -2.61 119.26 124.00 1sr6 h ALA 222 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1sr6 h ALA 222 Cb 1.13 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1sr6 h ALA 222 CO 0.07 -0.38 -0.46 -0.97 0.00 0.00 0.00 179.25 177.51 1sr6 h ASN 223 N 0.00 -1.09 -0.98 0.00 -0.00 -1.69 -2.55 115.58 109.27 1sr6 h ASN 223 Ca 0.10 0.04 0.14 0.00 -0.00 0.00 0.00 56.30 56.58 1sr6 h ASN 223 Cb 0.64 0.28 -0.15 0.00 -0.00 0.00 0.00 38.32 39.09 1sr6 h ASN 223 CO -0.00 -0.77 -0.43 -0.65 -0.00 0.00 0.00 177.43 175.59 1sr6 h PRO 224 N -1.32 -0.01 -0.51 6.67 0.11 -1.67 0.13 132.00 135.41 1sr6 h PRO 224 Ca -0.13 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.92 1sr6 h PRO 224 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1sr6 h PRO 224 CO 0.22 -0.00 0.09 -0.39 -0.21 0.00 0.00 178.00 177.70 1sr6 h VAL 225 N -0.01 1.25 -0.39 3.15 -1.51 -1.67 -0.04 116.25 117.04 1sr6 h VAL 225 Ca 0.31 -0.93 -0.08 0.00 -1.23 0.00 0.00 66.70 64.76 1sr6 h VAL 225 Cb 0.56 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 1sr6 h VAL 225 CO -0.97 0.33 -0.11 -0.07 -1.23 0.00 0.00 177.57 175.52 1sr6 h LEU 226 N 0.73 0.67 -0.82 4.19 3.38 -0.87 -2.19 115.31 120.39 1sr6 h LEU 226 Ca 0.16 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1sr6 h LEU 226 Cb 0.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1sr6 h LEU 226 CO 0.01 0.81 -0.57 -0.33 0.09 0.00 0.00 178.44 178.45 1sr6 h GLU 227 N 0.62 0.07 0.00 1.13 5.08 -0.60 0.43 114.58 121.31 1sr6 h GLU 227 Ca 0.11 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1sr6 h GLU 227 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1sr6 h GLU 227 CO 0.03 0.62 -0.18 0.00 -1.00 0.00 0.00 179.01 178.49 1sr6 h ALA 228 N 1.37 1.17 0.00 3.43 0.00 -0.38 -2.11 119.26 122.75 1sr6 h ALA 228 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sr6 h ALA 228 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sr6 h ALA 228 CO 0.08 0.22 -1.00 0.66 0.00 0.00 0.00 179.25 179.21 1sr6 n TYR 229 N -3.55 0.00 0.08 0.00 4.02 -0.99 -0.85 117.16 115.86 1sr6 n TYR 229 Ca -0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.91 1sr6 n TYR 229 Cb 0.32 -0.11 0.04 0.00 -0.02 0.00 0.00 39.34 39.58 1sr6 n TYR 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sr6 n GLY 230 N 1.75 0.82 3.35 2.72 0.00 0.15 -4.91 105.19 109.06 1sr6 n GLY 230 Ca -0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1sr6 n GLY 230 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sr6 s ASN 231 N -0.70 2.98 0.35 1.61 -0.87 -0.79 0.16 114.94 117.68 1sr6 s ASN 231 Ca 0.08 -0.74 -0.08 0.00 -1.57 0.00 0.00 52.86 50.55 1sr6 s ASN 231 Cb 0.05 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 41.12 1sr6 s ASN 231 CO 0.07 0.12 0.60 0.00 -2.57 0.00 0.00 177.10 175.31 1sr6 s ALA 232 N -1.19 0.12 -0.24 0.60 0.00 -1.01 -2.25 121.76 117.79 1sr6 s ALA 232 Ca 0.11 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1sr6 s ALA 232 Cb -0.10 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1sr6 s ALA 232 CO 0.06 -0.87 0.27 0.21 0.00 0.00 0.00 175.76 175.43 1sr6 s LYS 233 N -2.85 4.08 0.24 0.00 2.20 -1.26 -1.62 119.74 120.53 1sr6 s LYS 233 Ca 0.24 -0.08 0.09 0.00 -0.36 0.00 0.00 55.97 55.86 1sr6 s LYS 233 Cb -0.02 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1sr6 s LYS 233 CO 0.16 -0.06 -0.14 -0.08 -0.36 0.00 0.00 175.35 174.87 1sr6 s THR 234 N 1.41 1.90 0.66 3.43 -1.32 0.15 -2.57 115.64 119.30 1sr6 s THR 234 Ca 0.12 -2.24 0.43 0.00 -1.21 0.00 0.00 61.69 58.79 1sr6 s THR 234 Cb -0.15 -2.21 0.44 0.00 -1.51 0.00 0.00 72.50 69.07 1sr6 s THR 234 CO 0.07 -0.48 2.36 0.71 -2.21 0.00 0.00 174.62 175.08 1sr6 h THR 235 N 2.42 0.07 0.02 5.08 1.35 -1.93 -2.68 112.91 117.24 1sr6 h THR 235 Ca -0.39 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.22 1sr6 h THR 235 Cb 1.23 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1sr6 h THR 235 CO 0.63 0.00 -1.35 0.03 -0.25 0.00 0.00 175.52 174.58 1sr6 h ARG 236 N 0.00 0.04 -4.94 4.72 2.47 -1.95 -3.48 114.38 111.25 1sr6 h ARG 236 Ca 0.00 -0.07 -0.45 0.00 -1.26 0.00 0.00 59.98 58.20 1sr6 h ARG 236 Cb 0.00 0.03 -0.30 0.00 -1.65 0.00 0.00 29.97 28.05 1sr6 h ARG 236 CO -0.00 1.03 -0.80 1.21 0.56 0.00 0.00 179.97 181.98 1sr6 s ASN 237 N -6.88 1.40 0.00 7.04 3.04 -1.01 -4.66 114.94 113.87 1sr6 s ASN 237 Ca -0.28 -0.22 0.28 0.00 0.04 0.00 0.00 52.86 52.69 1sr6 s ASN 237 Cb 0.06 -0.24 1.30 0.00 -1.54 0.00 0.00 41.25 40.84 1sr6 s ASN 237 CO 0.62 0.12 1.94 0.59 -3.04 0.00 0.00 177.10 177.34 1sr6 n ASN 238 N 2.96 0.00 -2.80 -4.21 5.03 -1.26 0.31 115.26 115.29 1sr6 n ASN 238 Ca -0.15 0.26 -0.10 0.00 0.87 0.00 0.00 54.58 55.45 1sr6 n ASN 238 Cb 0.55 -0.42 0.06 0.00 -1.02 0.00 0.00 39.78 38.95 1sr6 n ASN 238 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1sr6 n ASN 239 N -1.42 -2.23 -4.70 6.41 5.15 -1.23 -4.37 115.26 112.87 1sr6 n ASN 239 Ca 0.09 -3.43 -0.41 0.00 -0.60 0.00 0.00 54.58 50.24 1sr6 n ASN 239 Cb 0.29 1.58 -0.04 0.00 -0.53 0.00 0.00 39.78 41.08 1sr6 n ASN 239 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1sr6 s SER 240 N -1.52 7.04 -0.61 1.20 0.15 -0.64 -4.81 113.70 114.50 1sr6 s SER 240 Ca 0.28 1.26 -0.27 0.00 0.70 0.00 0.00 55.95 57.92 1sr6 s SER 240 Cb 0.26 -2.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1sr6 s SER 240 CO -0.14 -0.22 1.45 -0.44 1.20 0.00 0.00 173.24 175.08 1sr6 s SER 241 N 0.94 6.01 -0.01 5.45 0.01 -1.26 -2.41 113.70 122.44 1sr6 s SER 241 Ca 0.40 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1sr6 s SER 241 Cb -0.18 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1sr6 s SER 241 CO 0.18 -1.84 1.04 0.54 0.41 0.00 0.00 173.24 173.58 1sr6 n ARG 242 N 8.92 1.02 -3.59 12.44 5.12 0.42 -4.77 116.66 136.22 1sr6 n ARG 242 Ca 0.11 -0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.83 1sr6 n ARG 242 Cb 0.50 -1.01 -0.07 0.00 -1.16 0.00 0.00 32.46 30.71 1sr6 n ARG 242 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1sr6 s PHE 243 N -0.04 -0.62 0.31 -1.55 -0.12 -1.26 -1.77 117.98 112.93 1sr6 s PHE 243 Ca 0.01 1.22 -0.20 0.00 -0.05 0.00 0.00 56.93 57.91 1sr6 s PHE 243 Cb 0.01 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.63 1sr6 s PHE 243 CO 0.00 -0.51 0.81 0.20 -0.05 0.00 0.00 175.22 175.68 1sr6 s GLY 244 N -0.75 2.53 -0.04 1.99 0.00 0.12 -4.83 107.32 106.35 1sr6 s GLY 244 Ca -0.08 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.89 1sr6 s GLY 244 CO 0.07 0.56 -0.02 -1.59 0.00 0.00 0.00 173.10 172.11 1sr6 s LYS 245 N -2.49 0.56 -0.35 2.90 -2.85 -0.50 0.59 119.74 117.60 1sr6 s LYS 245 Ca 0.51 -0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 55.42 1sr6 s LYS 245 Cb -0.14 -0.65 0.07 0.00 -2.06 0.00 0.00 37.83 35.05 1sr6 s LYS 245 CO 0.19 -0.10 0.11 0.12 0.10 0.00 0.00 175.35 175.78 1sr6 s PHE 246 N 0.93 3.36 -0.25 1.78 5.36 0.86 -0.94 117.98 129.08 1sr6 s PHE 246 Ca -0.11 -1.85 -0.08 0.00 -0.96 0.00 0.00 56.93 53.93 1sr6 s PHE 246 Cb -0.14 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 1sr6 s PHE 246 CO -0.01 -0.83 0.10 0.42 -1.46 0.00 0.00 175.22 173.44 1sr6 s ILE 247 N 1.29 4.64 -0.16 3.12 1.01 0.26 -1.59 121.20 129.77 1sr6 s ILE 247 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 1sr6 s ILE 247 Cb -0.21 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1sr6 s ILE 247 CO -0.00 0.33 0.05 -0.13 0.00 0.00 0.00 174.94 175.19 1sr6 s ARG 248 N 1.47 3.71 -0.28 2.79 0.52 -0.81 0.84 118.95 127.20 1sr6 s ARG 248 Ca 0.06 -0.35 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1sr6 s ARG 248 Cb -0.15 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.23 1sr6 s ARG 248 CO 0.05 0.41 0.03 0.42 0.02 0.00 0.00 175.30 176.22 1sr6 s ILE 249 N -0.02 3.55 0.06 1.52 -1.09 -0.86 -2.39 121.20 121.98 1sr6 s ILE 249 Ca 0.06 -0.83 -0.14 0.00 -2.23 0.00 0.00 60.65 57.51 1sr6 s ILE 249 Cb -0.12 -2.82 -0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1sr6 s ILE 249 CO 0.01 0.12 0.46 -1.00 -1.23 0.00 0.00 174.94 173.30 1sr6 s HIS 250 N 1.43 3.67 0.22 3.97 3.76 0.11 -1.36 115.29 127.10 1sr6 s HIS 250 Ca 0.02 0.99 0.09 0.00 -0.15 0.00 0.00 55.06 56.00 1sr6 s HIS 250 Cb -0.17 -2.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 1sr6 s HIS 250 CO -0.00 0.55 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.22 1sr6 s PHE 251 N -1.26 1.89 0.62 1.40 0.40 -0.58 0.81 117.98 121.27 1sr6 s PHE 251 Ca 0.30 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1sr6 s PHE 251 Cb -0.16 -0.86 0.08 0.00 0.51 0.00 0.00 43.02 42.59 1sr6 s PHE 251 CO 0.17 0.46 0.86 0.20 0.70 0.00 0.00 175.22 177.61 1sr6 s GLY 252 N -3.32 1.79 0.04 4.36 0.00 0.16 -2.10 107.32 108.26 1sr6 s GLY 252 Ca 0.24 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1sr6 s GLY 252 CO 0.09 -1.25 1.07 -1.05 0.00 0.00 0.00 173.10 171.96 1sr6 n PRO 253 N -2.51 0.02 -0.43 2.90 -0.02 -1.26 -0.51 135.00 133.19 1sr6 n PRO 253 Ca 0.13 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 1sr6 n PRO 253 Cb 0.60 -1.58 0.27 0.00 -0.02 0.00 0.00 33.50 32.78 1sr6 n PRO 253 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sr6 n THR 254 N -1.58 1.64 -1.99 3.45 -2.24 -1.26 -4.95 114.28 107.34 1sr6 n THR 254 Ca -0.00 -1.29 -0.09 0.00 -2.27 0.00 0.00 64.05 60.40 1sr6 n THR 254 Cb 0.02 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1sr6 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sr6 n GLY 255 N 0.58 0.21 3.70 3.38 0.00 0.34 -5.03 105.19 108.37 1sr6 n GLY 255 Ca 0.20 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1sr6 n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sr6 s LYS 256 N -4.12 2.57 -0.05 1.61 -0.14 -1.25 -4.76 119.74 113.60 1sr6 s LYS 256 Ca 0.00 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.43 1sr6 s LYS 256 Cb 0.00 -2.52 -0.07 0.00 -1.68 0.00 0.00 37.83 33.55 1sr6 s LYS 256 CO 0.00 0.52 1.99 0.42 -0.76 0.00 0.00 175.35 177.52 1sr6 s ILE 257 N -1.45 3.09 -0.14 2.17 1.01 -1.01 0.39 121.20 125.25 1sr6 s ILE 257 Ca 0.27 0.11 0.12 0.00 0.00 0.00 0.00 60.65 61.14 1sr6 s ILE 257 Cb -0.11 -3.08 -0.23 0.00 0.01 0.00 0.00 42.46 39.04 1sr6 s ILE 257 CO 0.19 -0.03 0.27 0.00 0.00 0.00 0.00 174.94 175.38 1sr6 n ALA 258 N 8.68 1.43 0.00 9.38 0.00 0.24 -4.71 120.51 135.52 1sr6 n ALA 258 Ca 0.22 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1sr6 n ALA 258 Cb 0.42 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1sr6 n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sr6 n GLY 259 N 1.77 -1.28 3.73 0.00 0.00 -1.06 -4.63 105.19 103.71 1sr6 n GLY 259 Ca -0.29 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 1sr6 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sr6 s ALA 260 N -1.07 -1.45 0.11 4.61 0.00 -1.17 0.10 121.76 122.89 1sr6 s ALA 260 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 1sr6 s ALA 260 Cb 0.00 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1sr6 s ALA 260 CO 0.00 -0.97 0.37 0.16 0.00 0.00 0.00 175.76 175.32 1sr6 s ASP 261 N -2.87 -0.19 0.19 0.00 1.47 -1.00 -4.25 116.67 110.01 1sr6 s ASP 261 Ca 0.09 -0.34 0.09 0.00 1.18 0.00 0.00 52.55 53.57 1sr6 s ASP 261 Cb -0.03 0.45 -0.04 0.00 -0.34 0.00 0.00 42.92 42.95 1sr6 s ASP 261 CO 0.01 -0.82 -0.18 -0.63 0.68 0.00 0.00 175.17 174.23 1sr6 s ILE 262 N -3.71 1.90 -0.04 2.11 1.01 -1.26 -1.93 121.20 119.27 1sr6 s ILE 262 Ca 0.03 -2.03 -0.01 0.00 0.00 0.00 0.00 60.65 58.63 1sr6 s ILE 262 Cb 0.02 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.58 1sr6 s ILE 262 CO -0.11 -0.37 0.07 -1.61 0.00 0.00 0.00 174.94 172.92 1sr6 s GLU 263 N -3.02 -0.01 0.17 2.79 0.41 -0.62 -4.96 118.70 113.45 1sr6 s GLU 263 Ca 0.19 0.30 0.04 0.00 -0.41 0.00 0.00 54.97 55.09 1sr6 s GLU 263 Cb -0.05 -0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 31.97 1sr6 s GLU 263 CO 0.08 -0.21 0.20 0.95 -0.49 0.00 0.00 175.26 175.78 1sr6 s THR 264 N 1.43 4.78 0.02 3.63 -4.23 -1.26 -0.09 115.64 119.91 1sr6 s THR 264 Ca -0.05 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1sr6 s THR 264 Cb -0.12 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1sr6 s THR 264 CO -0.04 -0.14 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.54 1sr6 s TYR 265 N -1.80 0.46 -0.47 3.99 2.02 0.20 -4.91 117.35 116.84 1sr6 s TYR 265 Ca 0.32 -0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 56.63 1sr6 s TYR 265 Cb -0.10 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.18 1sr6 s TYR 265 CO 0.25 -0.06 0.42 1.28 -1.57 0.00 0.00 175.55 175.87 1sr6 n LEU 266 N 2.19 -1.34 -4.74 -1.29 4.77 -1.26 0.11 117.00 115.44 1sr6 n LEU 266 Ca -0.18 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 1sr6 n LEU 266 Cb 0.57 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 1sr6 n LEU 266 CO 0.23 0.19 0.80 -0.22 -1.33 0.00 0.00 177.39 177.06 1sr6 s LEU 267 N -3.22 4.49 -1.11 2.23 2.96 -1.26 -4.37 118.68 118.40 1sr6 s LEU 267 Ca 0.09 2.11 -0.21 0.00 -0.22 0.00 0.00 54.13 55.90 1sr6 s LEU 267 Cb -0.01 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.13 1sr6 s LEU 267 CO 0.60 -0.22 1.55 -0.70 -1.32 0.00 0.00 176.35 176.26 1sr6 s GLU 268 N -0.44 3.72 0.33 1.98 2.12 -0.73 -4.82 118.70 120.86 1sr6 s GLU 268 Ca 0.49 -1.42 0.14 0.00 0.36 0.00 0.00 54.97 54.55 1sr6 s GLU 268 Cb -0.30 -5.42 0.54 0.00 0.26 0.00 0.00 34.13 29.21 1sr6 s GLU 268 CO 0.35 -2.24 1.69 0.87 -0.54 0.00 0.00 175.26 175.40 1sr6 h LYS 269 N 9.05 0.00 -0.53 4.30 1.57 -1.92 -3.10 116.57 125.95 1sr6 h LYS 269 Ca 0.28 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.22 1sr6 h LYS 269 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1sr6 h LYS 269 CO 1.44 0.49 0.53 0.66 -0.57 0.00 0.00 179.45 181.99 1sr6 h SER 270 N 0.00 0.00 -0.70 0.86 4.64 -1.95 0.68 113.55 117.08 1sr6 h SER 270 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1sr6 h SER 270 Cb 0.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1sr6 h SER 270 CO 0.06 0.00 0.37 -0.09 -0.87 0.00 0.00 176.83 176.30 1sr6 h ARG 271 N 0.00 1.00 -1.07 4.77 2.43 -1.71 -2.48 114.38 117.32 1sr6 h ARG 271 Ca 0.25 -0.12 0.29 0.00 -0.81 0.00 0.00 59.98 59.59 1sr6 h ARG 271 Cb 1.30 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 1sr6 h ARG 271 CO -0.00 0.76 0.73 0.28 -1.51 0.00 0.00 179.97 180.22 1sr6 h VAL 272 N 1.01 0.49 0.00 0.20 2.07 -1.08 -2.45 116.25 116.49 1sr6 h VAL 272 Ca 0.25 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1sr6 h VAL 272 Cb 0.07 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1sr6 h VAL 272 CO -0.04 0.04 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1sr6 n THR 273 N -4.42 0.37 -3.70 2.57 -2.24 -1.15 -4.83 114.28 100.88 1sr6 n THR 273 Ca 0.24 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1sr6 n THR 273 Cb 1.02 0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 70.02 1sr6 n THR 273 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1sr6 s TYR 274 N -0.37 -0.57 0.02 4.78 5.04 -0.92 -4.88 117.35 120.44 1sr6 s TYR 274 Ca 0.00 1.21 0.07 0.00 -2.44 0.00 0.00 57.07 55.91 1sr6 s TYR 274 Cb 0.00 0.22 -0.02 0.00 0.35 0.00 0.00 41.96 42.51 1sr6 s TYR 274 CO 0.00 -0.34 -0.22 -0.65 -1.34 0.00 0.00 175.55 173.01 1sr6 s GLN 275 N 1.50 1.59 0.50 4.97 1.11 -1.26 -4.24 119.66 123.83 1sr6 s GLN 275 Ca -0.09 -0.88 -0.07 0.00 0.01 0.00 0.00 55.36 54.33 1sr6 s GLN 275 Cb -0.09 -1.63 -0.04 0.00 -1.01 0.00 0.00 33.01 30.24 1sr6 s GLN 275 CO -0.12 0.43 0.84 -1.14 0.01 0.00 0.00 175.29 175.31 1sr6 s GLN 276 N -0.88 3.59 0.37 2.91 0.74 -1.26 -4.28 119.66 120.86 1sr6 s GLN 276 Ca 0.08 0.37 -0.26 0.00 0.05 0.00 0.00 55.36 55.60 1sr6 s GLN 276 Cb -0.09 -2.31 -0.12 0.00 1.10 0.00 0.00 33.01 31.60 1sr6 s GLN 276 CO 0.01 -0.27 1.14 0.45 -0.55 0.00 0.00 175.29 176.07 1sr6 n SER 277 N -2.23 1.95 -1.11 6.67 2.88 -1.26 -1.64 113.62 118.88 1sr6 n SER 277 Ca 0.02 1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 58.56 1sr6 n SER 277 Cb 0.55 -1.41 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 1sr6 n SER 277 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sr6 n ALA 278 N -0.07 -0.25 -2.52 -1.46 0.00 -1.26 -4.88 120.51 110.07 1sr6 n ALA 278 Ca 0.07 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1sr6 n ALA 278 Cb 0.37 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 1sr6 n ALA 278 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sr6 s GLU 279 N -3.59 0.74 0.50 0.00 2.02 -0.65 -4.51 118.70 113.21 1sr6 s GLU 279 Ca 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 54.97 53.93 1sr6 s GLU 279 Cb 0.00 -0.38 -0.02 0.00 0.10 0.00 0.00 34.13 33.83 1sr6 s GLU 279 CO 0.00 0.05 0.02 1.03 0.02 0.00 0.00 175.26 176.38 1sr6 s ARG 280 N -2.67 2.17 0.56 1.61 0.52 -1.06 -1.42 118.95 118.65 1sr6 s ARG 280 Ca 0.02 -2.35 0.01 0.00 -0.52 0.00 0.00 55.73 52.89 1sr6 s ARG 280 Cb -0.03 -1.57 0.11 0.00 0.52 0.00 0.00 34.95 33.98 1sr6 s ARG 280 CO -0.01 -0.33 0.76 -1.71 0.02 0.00 0.00 175.30 174.03 1sr6 n ASN 281 N -1.25 1.14 -4.65 0.23 2.85 -1.26 -4.38 115.26 107.94 1sr6 n ASN 281 Ca -0.17 -1.93 -0.44 0.00 -0.11 0.00 0.00 54.58 51.93 1sr6 n ASN 281 Cb 0.67 -0.48 -0.01 0.00 1.24 0.00 0.00 39.78 41.19 1sr6 n ASN 281 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sr6 n TYR 282 N -2.47 1.87 -0.32 1.20 4.01 -1.26 -4.50 117.16 115.69 1sr6 n TYR 282 Ca 0.13 0.60 0.19 0.00 -0.16 0.00 0.00 57.90 58.66 1sr6 n TYR 282 Cb 0.46 -2.36 0.39 0.00 -0.31 0.00 0.00 39.34 37.53 1sr6 n TYR 282 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sr6 h HIS 283 N 2.57 0.56 -0.90 -0.72 3.86 -1.53 -2.44 115.15 116.55 1sr6 h HIS 283 Ca -0.43 0.05 0.24 0.00 -1.16 0.00 0.00 60.37 59.07 1sr6 h HIS 283 Cb 1.31 -0.09 -0.15 0.00 1.06 0.00 0.00 27.41 29.53 1sr6 h HIS 283 CO 0.50 -0.26 0.15 0.97 0.86 0.00 0.00 177.93 180.16 1sr6 h ILE 284 N 0.20 0.22 -0.91 2.45 6.09 -1.30 0.92 117.51 125.18 1sr6 h ILE 284 Ca 0.66 -0.04 0.04 0.00 -1.37 0.00 0.00 64.86 64.15 1sr6 h ILE 284 Cb 1.45 0.08 -0.05 0.00 0.47 0.00 0.00 36.82 38.77 1sr6 h ILE 284 CO -0.68 0.02 0.59 -0.26 -3.07 0.00 0.00 178.15 174.75 1sr6 h PHE 285 N 0.12 1.08 0.00 2.19 0.04 -1.71 -0.26 116.94 118.41 1sr6 h PHE 285 Ca 0.56 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.35 1sr6 h PHE 285 Cb 1.14 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 1sr6 h PHE 285 CO -0.35 0.61 -0.03 1.88 -0.60 0.00 0.00 178.31 179.82 1sr6 h TYR 286 N 1.10 0.00 0.02 -0.55 -1.99 -1.02 -3.01 116.97 111.53 1sr6 h TYR 286 Ca 0.37 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.93 1sr6 h TYR 286 Cb 0.07 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.82 1sr6 h TYR 286 CO -0.00 0.03 -0.67 1.96 -0.00 0.00 0.00 178.16 179.49 1sr6 h GLN 287 N 0.00 0.41 0.00 4.88 4.20 -0.30 -2.91 115.11 121.39 1sr6 h GLN 287 Ca -0.00 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1sr6 h GLN 287 Cb 1.01 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1sr6 h GLN 287 CO 0.00 1.14 0.00 0.44 -0.67 0.00 0.00 178.83 179.74 1sr6 n ILE 288 N -4.18 0.94 -1.25 2.54 -5.35 -0.23 -1.83 119.36 109.99 1sr6 n ILE 288 Ca -0.11 0.36 0.02 0.00 -0.27 0.00 0.00 62.75 62.74 1sr6 n ILE 288 Cb 0.71 -1.29 0.22 0.00 -1.74 0.00 0.00 39.64 37.54 1sr6 n ILE 288 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sr6 n SER 290 N -0.92 0.41 -0.63 0.00 3.41 -0.76 -3.83 113.62 111.30 1sr6 n SER 290 Ca 0.28 0.19 -0.05 0.00 -0.26 0.00 0.00 58.87 59.02 1sr6 n SER 290 Cb 0.96 0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1sr6 n SER 290 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sr6 n ASN 291 N -2.78 -2.27 0.18 4.04 2.85 -1.26 -4.92 115.26 111.11 1sr6 n ASN 291 Ca -0.19 -0.01 0.07 0.00 -0.11 0.00 0.00 54.58 54.34 1sr6 n ASN 291 Cb 0.97 -1.60 0.16 0.00 1.24 0.00 0.00 39.78 40.55 1sr6 n ASN 291 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sr6 h ALA 292 N 0.25 0.85 -2.41 5.20 0.00 -1.86 -3.35 119.26 117.94 1sr6 h ALA 292 Ca -0.12 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 53.95 1sr6 h ALA 292 Cb 1.09 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.45 1sr6 h ALA 292 CO 0.15 0.33 -0.91 -0.89 0.00 0.00 0.00 179.25 177.93 1sr6 n ILE 293 N -3.20 -0.38 -0.21 0.00 5.41 -1.26 -4.95 119.36 114.77 1sr6 n ILE 293 Ca 0.02 -3.91 0.27 0.00 1.00 0.00 0.00 62.75 60.13 1sr6 n ILE 293 Cb 0.61 -1.84 0.67 0.00 -0.71 0.00 0.00 39.64 38.37 1sr6 n ILE 293 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1sr6 h PRO 294 N 5.17 0.10 0.00 0.38 0.11 -1.99 0.27 132.00 136.04 1sr6 h PRO 294 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1sr6 h PRO 294 Cb 0.86 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sr6 h PRO 294 CO 0.48 0.07 0.00 1.05 -0.21 0.00 0.00 178.00 179.39 1sr6 h GLU 295 N 0.11 0.00 0.00 1.05 4.11 -1.95 -1.62 114.58 116.28 1sr6 h GLU 295 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1sr6 h GLU 295 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1sr6 h GLU 295 CO -0.06 0.00 -1.22 1.28 0.07 0.00 0.00 179.01 179.09 1sr6 n LEU 296 N -2.29 0.70 -0.16 3.06 4.77 0.08 -4.40 117.00 118.76 1sr6 n LEU 296 Ca -0.01 -0.37 0.26 0.00 -0.03 0.00 0.00 56.01 55.87 1sr6 n LEU 296 Cb 0.08 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.86 1sr6 n LEU 296 CO 0.12 0.18 1.25 0.78 -1.33 0.00 0.00 177.39 178.39 1sr6 h ASN 297 N 0.00 0.05 0.26 -1.43 -0.26 -1.36 -2.12 115.58 110.72 1sr6 h ASN 297 Ca 0.00 0.01 -0.34 0.00 -0.56 0.00 0.00 56.30 55.41 1sr6 h ASN 297 Cb 0.60 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1sr6 h ASN 297 CO 0.00 0.02 -1.80 0.44 -1.06 0.00 0.00 177.43 175.02 1sr6 h ASP 298 N 0.05 0.40 0.43 5.81 3.32 -1.77 -0.78 116.42 123.89 1sr6 h ASP 298 Ca 0.41 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1sr6 h ASP 298 Cb 1.56 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1sr6 h ASP 298 CO -0.03 1.64 0.00 0.58 -1.72 0.00 0.00 179.24 179.71 1sr6 h VAL 299 N 0.07 0.00 0.00 -1.35 2.07 -1.64 -2.30 116.25 113.11 1sr6 h VAL 299 Ca -0.35 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1sr6 h VAL 299 Cb 2.04 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1sr6 h VAL 299 CO 0.12 0.00 -1.23 0.23 0.02 0.00 0.00 177.57 176.71 1sr6 n MET 300 N -2.31 0.74 -3.26 1.57 2.81 -0.98 -4.74 117.12 110.96 1sr6 n MET 300 Ca 0.00 -0.06 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 1sr6 n MET 300 Cb 0.15 -1.14 0.06 0.00 -0.71 0.00 0.00 33.22 31.58 1sr6 n MET 300 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1sr6 n LEU 301 N -1.70 -3.07 -4.47 4.03 4.77 -0.51 -4.72 117.00 111.33 1sr6 n LEU 301 Ca -0.01 -0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 55.29 1sr6 n LEU 301 Cb 0.19 -2.33 -0.11 0.00 -2.33 0.00 0.00 43.42 38.83 1sr6 n LEU 301 CO 0.16 0.45 -0.50 0.68 -1.33 0.00 0.00 177.39 176.85 1sr6 s VAL 302 N -3.23 2.69 -0.21 4.08 -7.23 -0.42 -5.02 120.40 111.07 1sr6 s VAL 302 Ca 0.37 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1sr6 s VAL 302 Cb -0.16 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1sr6 s VAL 302 CO 0.52 -0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 174.45 1sr6 s THR 303 N -1.39 4.27 0.00 5.32 2.01 -1.26 -4.73 115.64 119.85 1sr6 s THR 303 Ca 0.20 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1sr6 s THR 303 Cb -0.09 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1sr6 s THR 303 CO 0.10 0.42 0.18 -2.65 -0.69 0.00 0.00 174.62 171.98 1sr6 n PRO 304 N 4.19 0.00 -3.66 4.92 -0.02 -1.26 -4.67 135.00 134.49 1sr6 n PRO 304 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.10 1sr6 n PRO 304 Cb 0.52 -0.94 -0.18 0.00 -0.02 0.00 0.00 33.50 32.88 1sr6 n PRO 304 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sr6 s ASP 305 N 1.23 1.45 -0.03 2.55 -1.08 -1.25 -4.79 116.67 114.75 1sr6 s ASP 305 Ca 0.00 -0.09 -0.25 0.00 -0.52 0.00 0.00 52.55 51.68 1sr6 s ASP 305 Cb 0.00 -0.19 -0.20 0.00 -1.46 0.00 0.00 42.92 41.07 1sr6 s ASP 305 CO 0.00 -0.27 1.18 0.28 0.52 0.00 0.00 175.17 176.88 1sr6 h SER 306 N 8.43 -0.05 0.00 -0.34 0.02 -1.83 -3.09 113.55 116.68 1sr6 h SER 306 Ca -0.13 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1sr6 h SER 306 Cb 1.13 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1sr6 h SER 306 CO 0.19 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.96 1sr6 n GLY 307 N 0.32 -0.03 0.09 -3.77 0.00 -1.26 -2.17 105.19 98.37 1sr6 n GLY 307 Ca -0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1sr6 n GLY 307 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sr6 h LEU 308 N 0.00 0.07 -9.17 0.99 5.85 -1.93 -3.46 115.31 107.66 1sr6 h LEU 308 Ca 0.00 -0.15 -0.61 0.00 0.84 0.00 0.00 57.88 57.96 1sr6 h LEU 308 Cb 0.00 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 40.87 1sr6 h LEU 308 CO 0.00 1.14 -0.52 -0.31 -0.34 0.00 0.00 178.44 178.41 1sr6 s TYR 309 N -2.60 3.34 -0.40 1.25 1.51 -0.92 -5.00 117.35 114.53 1sr6 s TYR 309 Ca -0.07 0.22 0.21 0.00 -1.01 0.00 0.00 57.07 56.42 1sr6 s TYR 309 Cb 0.08 -2.17 1.00 0.00 -0.11 0.00 0.00 41.96 40.76 1sr6 s TYR 309 CO 0.82 0.19 1.64 -1.13 -1.11 0.00 0.00 175.55 175.95 1sr6 n SER 310 N 3.73 0.55 -0.15 2.29 3.41 -1.26 -1.09 113.62 121.10 1sr6 n SER 310 Ca -0.16 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 1sr6 n SER 310 Cb 0.52 -0.79 0.56 0.00 -0.26 0.00 0.00 64.21 64.24 1sr6 n SER 310 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1sr6 n PHE 311 N -2.17 0.00 0.00 7.33 3.72 -1.26 -4.27 117.46 120.81 1sr6 n PHE 311 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sr6 n PHE 311 Cb 0.12 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 1sr6 n PHE 311 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1sr6 n ILE 312 N -0.86 0.00 -0.55 4.37 -5.35 -0.85 -4.60 119.36 111.53 1sr6 n ILE 312 Ca 0.14 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.58 1sr6 n ILE 312 Cb 0.29 0.85 0.28 0.00 -1.74 0.00 0.00 39.64 39.32 1sr6 n ILE 312 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1sr6 n ASN 313 N -0.12 4.51 -0.07 7.28 2.04 -0.25 -4.50 115.26 124.16 1sr6 n ASN 313 Ca 0.00 -2.84 -0.09 0.00 -0.44 0.00 0.00 54.58 51.21 1sr6 n ASN 313 Cb 0.00 -0.67 -0.07 0.00 -2.53 0.00 0.00 39.78 36.50 1sr6 n ASN 313 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 1sr6 h GLN 314 N 2.67 0.00 0.00 -3.83 4.20 -1.84 -3.47 115.11 112.85 1sr6 h GLN 314 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1sr6 h GLN 314 Cb 1.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.62 1sr6 h GLN 314 CO 0.49 0.58 0.00 0.41 -0.67 0.00 0.00 178.83 179.64 1sr6 n GLY 315 N 1.65 0.83 3.92 3.46 0.00 -1.24 -4.83 105.19 108.99 1sr6 n GLY 315 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1sr6 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sr6 n LEU 317 N -1.53 0.32 -4.79 0.00 4.77 -1.26 -4.32 117.00 110.18 1sr6 n LEU 317 Ca 0.00 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1sr6 n LEU 317 Cb 0.59 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.85 1sr6 n LEU 317 CO 0.42 0.37 -0.10 0.42 -1.33 0.00 0.00 177.39 177.17 1sr6 s THR 318 N -2.32 2.60 -0.04 -5.08 -4.23 -1.26 -5.05 115.64 100.26 1sr6 s THR 318 Ca -0.08 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1sr6 s THR 318 Cb 0.04 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1sr6 s THR 318 CO 0.52 -0.04 0.09 -0.69 -0.54 0.00 0.00 174.62 173.97 1sr6 s VAL 319 N -2.51 -0.03 0.09 2.29 1.01 -1.26 -5.04 120.40 114.95 1sr6 s VAL 319 Ca 0.43 0.10 -0.34 0.00 0.00 0.00 0.00 61.98 62.18 1sr6 s VAL 319 Cb -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 36.38 36.07 1sr6 s VAL 319 CO 0.25 0.04 1.59 0.44 0.00 0.00 0.00 175.10 177.42 1sr6 h ASP 320 N 6.68 -1.17 -0.13 3.32 3.32 -2.00 -2.93 116.42 123.50 1sr6 h ASP 320 Ca -0.35 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1sr6 h ASP 320 Cb 1.17 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1sr6 h ASP 320 CO 0.45 -0.60 0.00 -0.46 -1.72 0.00 0.00 179.24 176.92 1sr6 n ASN 321 N -5.52 0.95 -4.29 6.45 2.04 -1.26 -4.75 115.26 108.88 1sr6 n ASN 321 Ca -0.11 -1.74 -0.38 0.00 -0.44 0.00 0.00 54.58 51.91 1sr6 n ASN 321 Cb 0.42 -0.09 -0.12 0.00 -2.53 0.00 0.00 39.78 37.46 1sr6 n ASN 321 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1sr6 s ILE 322 N -1.83 3.86 -1.04 1.53 -1.09 -1.11 -5.02 121.20 116.50 1sr6 s ILE 322 Ca 0.23 -1.07 -0.14 0.00 -2.23 0.00 0.00 60.65 57.44 1sr6 s ILE 322 Cb 0.12 -3.16 0.19 0.00 -1.58 0.00 0.00 42.46 38.03 1sr6 s ILE 322 CO 0.18 -0.16 1.16 -0.62 -1.23 0.00 0.00 174.94 174.27 1sr6 s ASP 323 N 1.42 6.95 0.60 3.58 -1.08 -1.26 -4.54 116.67 122.34 1sr6 s ASP 323 Ca -0.01 -2.81 0.20 0.00 -0.52 0.00 0.00 52.55 49.41 1sr6 s ASP 323 Cb -0.19 -2.32 1.09 0.00 -1.46 0.00 0.00 42.92 40.03 1sr6 s ASP 323 CO 0.03 -0.70 1.59 0.44 0.52 0.00 0.00 175.17 177.05 1sr6 h ASP 324 N 7.63 0.00 0.15 -0.34 3.32 -1.93 -0.40 116.42 124.84 1sr6 h ASP 324 Ca 0.20 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.90 1sr6 h ASP 324 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1sr6 h ASP 324 CO 1.07 0.00 -1.86 0.58 -1.72 0.00 0.00 179.24 177.30 1sr6 h VAL 325 N 0.00 0.77 0.75 -1.35 2.07 -1.90 -3.22 116.25 113.38 1sr6 h VAL 325 Ca 0.00 -2.41 -0.04 0.00 0.82 0.00 0.00 66.70 65.07 1sr6 h VAL 325 Cb 0.97 2.62 0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1sr6 h VAL 325 CO 0.00 0.87 -0.36 -0.33 0.02 0.00 0.00 177.57 177.77 1sr6 h GLU 326 N 0.05 -0.97 -1.08 1.57 4.39 -1.55 -3.02 114.58 113.97 1sr6 h GLU 326 Ca -0.39 0.07 0.35 0.00 0.34 0.00 0.00 59.36 59.73 1sr6 h GLU 326 Cb 2.04 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 30.77 1sr6 h GLU 326 CO 0.12 -0.65 0.64 1.49 -1.16 0.00 0.00 179.01 179.45 1sr6 h GLU 327 N -1.25 0.23 -0.41 2.33 4.57 -1.39 0.38 114.58 119.04 1sr6 h GLU 327 Ca -0.10 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 1sr6 h GLU 327 Cb 0.77 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1sr6 h GLU 327 CO 0.17 0.15 -0.23 0.35 -1.18 0.00 0.00 179.01 178.27 1sr6 h PHE 328 N 0.24 1.02 -0.28 0.92 3.57 -1.56 0.25 116.94 121.10 1sr6 h PHE 328 Ca 0.76 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.99 1sr6 h PHE 328 Cb 1.93 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1sr6 h PHE 328 CO -0.01 1.05 0.18 0.87 -2.23 0.00 0.00 178.31 178.17 1sr6 h LYS 329 N 0.69 0.37 -0.63 1.11 1.57 -0.18 0.12 116.57 119.62 1sr6 h LYS 329 Ca 0.09 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1sr6 h LYS 329 Cb 0.80 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1sr6 h LYS 329 CO 0.07 0.25 0.21 -0.07 -0.57 0.00 0.00 179.45 179.34 1sr6 h LEU 330 N 0.37 0.90 -0.12 2.94 3.38 -1.03 -0.74 115.31 121.02 1sr6 h LEU 330 Ca 0.10 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1sr6 h LEU 330 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1sr6 h LEU 330 CO -0.02 0.86 -0.05 0.00 0.09 0.00 0.00 178.44 179.32 1sr6 h ASP 332 N -0.03 -0.49 -0.64 0.00 3.58 -0.40 -0.68 116.42 117.77 1sr6 h ASP 332 Ca 0.06 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1sr6 h ASP 332 Cb 0.12 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1sr6 h ASP 332 CO -0.14 -0.17 0.27 -0.08 -2.88 0.00 0.00 179.24 176.24 1sr6 h GLU 333 N -0.05 0.94 -0.84 0.28 4.57 -0.23 -2.53 114.58 116.72 1sr6 h GLU 333 Ca 0.20 -0.16 0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1sr6 h GLU 333 Cb 0.35 -0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 28.69 1sr6 h GLU 333 CO -0.44 0.78 0.42 0.00 -1.18 0.00 0.00 179.01 178.59 1sr6 h ALA 334 N 1.11 1.26 -0.32 2.92 0.00 0.24 0.27 119.26 124.74 1sr6 h ALA 334 Ca 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1sr6 h ALA 334 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sr6 h ALA 334 CO -0.02 -0.10 0.12 0.74 0.00 0.00 0.00 179.25 179.99 1sr6 h PHE 335 N 0.60 0.50 0.30 0.00 -1.00 -0.80 -1.60 116.94 114.95 1sr6 h PHE 335 Ca 0.46 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1sr6 h PHE 335 Cb 0.65 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 1sr6 h PHE 335 CO -0.10 0.48 -0.33 -0.44 -1.61 0.00 0.00 178.31 176.31 1sr6 h ASP 336 N 0.37 -0.92 -0.33 2.17 3.32 -0.47 -0.94 116.42 119.62 1sr6 h ASP 336 Ca 0.11 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1sr6 h ASP 336 Cb 0.20 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1sr6 h ASP 336 CO -0.01 -0.46 0.35 0.40 -1.72 0.00 0.00 179.24 177.80 1sr6 h ILE 337 N -0.67 0.44 0.00 0.35 2.04 -0.49 0.50 117.51 119.68 1sr6 h ILE 337 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1sr6 h ILE 337 Cb 0.62 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1sr6 h ILE 337 CO -0.09 0.00 -0.19 0.18 0.00 0.00 0.00 178.15 178.05 1sr6 n LEU 338 N -3.80 0.30 0.00 1.44 4.77 -0.43 -4.54 117.00 114.74 1sr6 n LEU 338 Ca 0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1sr6 n LEU 338 Cb 0.51 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1sr6 n LEU 338 CO 0.28 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1sr6 n GLY 339 N 1.46 0.74 3.64 -0.72 0.00 0.18 -4.92 105.19 105.57 1sr6 n GLY 339 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1sr6 n GLY 339 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sr6 n PHE 340 N -2.16 1.45 -2.07 1.61 3.01 -0.90 -4.96 117.46 113.44 1sr6 n PHE 340 Ca 0.00 0.52 -0.32 0.00 1.01 0.00 0.00 57.45 58.67 1sr6 n PHE 340 Cb 0.00 -2.27 -0.00 0.00 -0.01 0.00 0.00 39.48 37.20 1sr6 n PHE 340 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1sr6 s THR 341 N -1.28 4.30 0.18 4.37 2.01 -1.26 -4.74 115.64 119.23 1sr6 s THR 341 Ca 0.64 0.97 -0.13 0.00 0.31 0.00 0.00 61.69 63.48 1sr6 s THR 341 Cb -0.52 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.46 1sr6 s THR 341 CO 0.56 -0.76 1.85 0.50 -0.69 0.00 0.00 174.62 176.07 1sr6 h LYS 342 N 0.29 0.79 -0.34 4.92 1.63 -1.99 0.45 116.57 122.32 1sr6 h LYS 342 Ca -0.46 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.28 1sr6 h LYS 342 Cb 1.20 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1sr6 h LYS 342 CO 0.60 0.53 0.16 1.49 -3.45 0.00 0.00 179.45 178.78 1sr6 h GLU 343 N 0.80 0.46 0.22 1.90 4.81 -1.99 -1.36 114.58 119.42 1sr6 h GLU 343 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1sr6 h GLU 343 Cb -0.08 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1sr6 h GLU 343 CO -0.05 0.36 -0.10 0.93 -0.73 0.00 0.00 179.01 179.42 1sr6 h GLU 344 N 0.46 -0.28 -0.52 1.92 5.08 -1.68 -2.08 114.58 117.49 1sr6 h GLU 344 Ca 0.12 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1sr6 h GLU 344 Cb 0.05 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 1sr6 h GLU 344 CO -0.02 -0.06 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.46 1sr6 h LYS 345 N -1.03 -0.13 -0.46 2.33 3.64 -0.90 0.27 116.57 120.29 1sr6 h LYS 345 Ca -0.03 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1sr6 h LYS 345 Cb 0.35 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1sr6 h LYS 345 CO 0.05 -0.09 0.18 1.96 -2.27 0.00 0.00 179.45 179.29 1sr6 h GLN 346 N -0.13 0.65 -0.69 1.90 4.20 -1.36 -0.74 115.11 118.93 1sr6 h GLN 346 Ca 0.23 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1sr6 h GLN 346 Cb 0.50 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1sr6 h GLN 346 CO -0.60 0.54 0.31 0.77 -0.67 0.00 0.00 178.83 179.18 1sr6 h SER 347 N 0.65 0.90 0.10 1.46 0.02 0.15 0.33 113.55 117.15 1sr6 h SER 347 Ca 0.16 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1sr6 h SER 347 Cb 0.13 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1sr6 h SER 347 CO -0.02 0.77 -0.05 0.24 -1.14 0.00 0.00 176.83 176.64 1sr6 h MET 348 N 0.98 -0.13 -0.54 3.45 2.86 0.56 -1.22 114.93 120.88 1sr6 h MET 348 Ca 0.24 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1sr6 h MET 348 Cb 0.13 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1sr6 h MET 348 CO -0.03 0.01 0.32 0.74 1.06 0.00 0.00 176.91 179.01 1sr6 h PHE 349 N -0.25 0.59 -0.17 -0.22 0.04 -0.64 -1.53 116.94 114.76 1sr6 h PHE 349 Ca -0.01 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1sr6 h PHE 349 Cb 0.21 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1sr6 h PHE 349 CO -0.03 0.33 -0.03 0.87 -0.60 0.00 0.00 178.31 178.85 1sr6 h LYS 350 N 0.63 0.01 -0.24 1.51 1.57 -0.20 0.13 116.57 119.98 1sr6 h LYS 350 Ca 0.22 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1sr6 h LYS 350 Cb 0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1sr6 h LYS 350 CO -0.10 0.01 0.01 0.00 -0.57 0.00 0.00 179.45 178.80 1sr6 h THR 352 N 0.35 1.05 -0.77 0.00 2.02 -0.47 -3.22 112.91 111.87 1sr6 h THR 352 Ca 0.08 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.42 1sr6 h THR 352 Cb 0.21 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1sr6 h THR 352 CO 0.00 0.21 0.50 0.00 0.37 0.00 0.00 175.52 176.61 1sr6 h ALA 353 N 0.14 1.79 -0.38 6.16 0.00 -0.46 -1.97 119.26 124.54 1sr6 h ALA 353 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sr6 h ALA 353 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sr6 h ALA 353 CO 0.03 0.06 0.12 0.66 0.00 0.00 0.00 179.25 180.12 1sr6 h SER 354 N 0.70 0.50 -0.01 0.00 4.64 -1.39 -0.87 113.55 117.12 1sr6 h SER 354 Ca 0.35 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1sr6 h SER 354 Cb 0.45 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1sr6 h SER 354 CO -0.13 0.48 -0.03 0.40 -0.87 0.00 0.00 176.83 176.68 1sr6 h ILE 355 N 0.55 1.09 -0.63 0.95 2.04 -1.38 0.24 117.51 120.37 1sr6 h ILE 355 Ca 0.13 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1sr6 h ILE 355 Cb 0.16 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1sr6 h ILE 355 CO -0.01 0.11 0.04 -0.07 0.00 0.00 0.00 178.15 178.22 1sr6 h LEU 356 N 0.13 1.05 -0.54 1.44 3.38 -1.20 -2.67 115.31 116.89 1sr6 h LEU 356 Ca 0.03 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 1sr6 h LEU 356 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1sr6 h LEU 356 CO 0.01 1.08 -0.72 0.45 0.09 0.00 0.00 178.44 179.34 1sr6 h HIS 357 N 0.99 0.07 -0.57 1.13 3.86 -0.89 -3.17 115.15 116.57 1sr6 h HIS 357 Ca 0.18 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1sr6 h HIS 357 Cb 0.52 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 1sr6 h HIS 357 CO 0.04 0.75 0.30 0.52 0.86 0.00 0.00 177.93 180.40 1sr6 h MET 358 N 0.03 0.55 0.00 2.45 2.86 -0.26 0.18 114.93 120.74 1sr6 h MET 358 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1sr6 h MET 358 Cb 1.28 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1sr6 h MET 358 CO 0.10 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.84 1sr6 n GLY 359 N -1.26 -0.92 1.28 8.32 0.00 -1.13 -2.22 105.19 109.26 1sr6 n GLY 359 Ca 0.06 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1sr6 n GLY 359 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sr6 n GLU 360 N -1.38 2.87 -3.34 1.61 -0.58 0.62 -4.63 120.64 115.82 1sr6 n GLU 360 Ca 0.06 -2.61 -0.39 0.00 -0.42 0.00 0.00 57.16 53.80 1sr6 n GLU 360 Cb 0.15 -1.57 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 1sr6 n GLU 360 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1sr6 s MET 361 N -1.11 4.16 0.26 3.49 -1.94 -0.94 -4.86 119.30 118.36 1sr6 s MET 361 Ca 0.46 0.26 0.09 0.00 -1.71 0.00 0.00 55.69 54.79 1sr6 s MET 361 Cb 0.25 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 1sr6 s MET 361 CO 0.30 -0.11 0.02 0.21 -0.01 0.00 0.00 175.02 175.42 1sr6 s LYS 362 N 1.53 2.36 0.02 2.03 2.36 -1.26 -5.07 119.74 121.71 1sr6 s LYS 362 Ca 0.20 -1.36 0.05 0.00 -2.55 0.00 0.00 55.97 52.31 1sr6 s LYS 362 Cb -0.15 -2.21 -0.02 0.00 -1.05 0.00 0.00 37.83 34.40 1sr6 s LYS 362 CO 0.09 0.37 -0.14 -0.06 1.55 0.00 0.00 175.35 177.16 1sr6 s PHE 363 N -2.26 1.25 -0.02 4.03 0.40 -1.26 -2.37 117.98 117.74 1sr6 s PHE 363 Ca 0.31 -0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 56.14 1sr6 s PHE 363 Cb -0.07 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.65 1sr6 s PHE 363 CO 0.20 0.01 0.58 0.21 0.70 0.00 0.00 175.22 176.93 1sr6 s LYS 364 N -0.78 4.31 0.00 0.44 2.20 0.18 -4.83 119.74 121.27 1sr6 s LYS 364 Ca 0.03 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1sr6 s LYS 364 Cb -0.07 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1sr6 s LYS 364 CO 0.00 0.34 0.00 0.00 -0.36 0.00 0.00 175.35 175.33 1sr6 n GLN 365 N 2.87 0.00 -2.14 4.03 10.64 -1.26 0.10 117.38 131.62 1sr6 n GLN 365 Ca -0.07 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.81 1sr6 n GLN 365 Cb 0.51 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.84 1sr6 n GLN 365 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1sr6 s ARG 366 N 0.48 2.74 -0.02 2.61 0.52 -1.26 -4.30 118.95 119.71 1sr6 s ARG 366 Ca 0.00 -0.70 -0.19 0.00 -0.52 0.00 0.00 55.73 54.32 1sr6 s ARG 366 Cb 0.00 -5.17 -0.11 0.00 0.52 0.00 0.00 34.95 30.19 1sr6 s ARG 366 CO 0.00 -3.33 0.81 -1.35 0.02 0.00 0.00 175.30 171.45 1sr6 h PRO 367 N 10.53 -0.65 0.00 3.54 0.11 -1.92 -3.42 132.00 140.18 1sr6 h PRO 367 Ca 0.16 0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1sr6 h PRO 367 Cb 0.98 0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 1sr6 h PRO 367 CO 1.25 -0.42 -0.31 -2.13 -0.21 0.00 0.00 178.00 176.18 1sr6 n ARG 368 N -5.23 0.00 -4.13 1.05 3.00 -1.26 -5.13 116.66 104.96 1sr6 n ARG 368 Ca -0.09 -0.86 -0.10 0.00 -0.00 0.00 0.00 57.85 56.80 1sr6 n ARG 368 Cb 0.27 0.27 -0.10 0.00 0.00 0.00 0.00 32.46 32.91 1sr6 n ARG 368 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1sr6 s GLU 369 N 0.00 0.95 -0.14 -0.14 2.02 -1.26 -5.03 118.70 115.10 1sr6 s GLU 369 Ca 0.04 -1.42 0.08 0.00 0.02 0.00 0.00 54.97 53.69 1sr6 s GLU 369 Cb 0.04 0.26 0.49 0.00 0.10 0.00 0.00 34.13 35.02 1sr6 s GLU 369 CO -0.02 -0.28 1.25 -1.91 0.02 0.00 0.00 175.26 174.32 1sr6 n GLU 370 N -0.11 3.31 -4.99 1.61 4.07 -1.26 -4.36 120.64 118.91 1sr6 n GLU 370 Ca -0.05 -1.87 -0.28 0.00 -0.06 0.00 0.00 57.16 54.90 1sr6 n GLU 370 Cb 0.64 -1.95 -0.16 0.00 -0.06 0.00 0.00 31.44 29.91 1sr6 n GLU 370 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1sr6 s GLN 371 N -2.04 1.98 0.89 5.31 -0.44 -1.26 -4.76 119.66 119.34 1sr6 s GLN 371 Ca 0.32 -0.72 -0.12 0.00 -2.50 0.00 0.00 55.36 52.35 1sr6 s GLN 371 Cb 0.25 -1.74 0.13 0.00 -1.64 0.00 0.00 33.01 30.01 1sr6 s GLN 371 CO 0.10 0.32 1.14 0.00 0.50 0.00 0.00 175.29 177.34 1sr6 s ALA 372 N -0.11 1.92 0.21 1.58 0.00 -1.14 -4.65 121.76 119.57 1sr6 s ALA 372 Ca -0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1sr6 s ALA 372 Cb -0.11 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1sr6 s ALA 372 CO 0.02 -2.17 0.29 -2.00 0.00 0.00 0.00 175.76 171.91 1sr6 s GLU 373 N -5.31 1.32 0.69 0.00 2.12 0.12 -4.91 118.70 112.72 1sr6 s GLU 373 Ca 0.63 -1.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.51 1sr6 s GLU 373 Cb -0.14 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.67 1sr6 s GLU 373 CO 0.53 -0.49 1.01 -1.54 -0.54 0.00 0.00 175.26 174.23 1sr6 s SER 374 N -3.06 4.96 -0.45 -1.70 1.04 -1.26 0.50 113.70 113.73 1sr6 s SER 374 Ca 0.28 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.36 1sr6 s SER 374 Cb 0.03 -1.27 0.30 0.00 0.10 0.00 0.00 66.02 65.18 1sr6 s SER 374 CO 0.08 -1.51 0.69 -0.67 0.98 0.00 0.00 173.24 172.81 1sr6 n ASP 375 N -2.90 1.56 0.00 7.02 2.03 -1.00 -3.86 116.55 119.41 1sr6 n ASP 375 Ca 0.07 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1sr6 n ASP 375 Cb 0.60 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1sr6 n ASP 375 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sr6 n GLY 376 N 0.70 2.32 0.00 0.27 0.00 -1.26 -4.73 105.19 102.48 1sr6 n GLY 376 Ca 0.25 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1sr6 n GLY 376 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sr6 n THR 377 N 0.28 0.00 0.00 2.61 -1.04 -1.26 -4.81 114.28 110.06 1sr6 n THR 377 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sr6 n THR 377 Cb 0.00 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1sr6 n THR 377 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sr6 n ALA 378 N -2.23 0.00 -0.21 2.41 0.00 -1.26 0.39 120.51 119.61 1sr6 n ALA 378 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sr6 n ALA 378 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 1sr6 n ALA 378 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sr6 h GLU 379 N 0.00 0.94 0.00 0.00 3.07 -1.89 -1.92 114.58 114.78 1sr6 h GLU 379 Ca 0.00 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1sr6 h GLU 379 Cb 0.00 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1sr6 h GLU 379 CO 0.00 0.87 -0.06 0.00 -1.40 0.00 0.00 179.01 178.41 1sr6 h ALA 380 N 1.03 0.96 0.19 3.43 0.00 0.69 -2.47 119.26 123.09 1sr6 h ALA 380 Ca 0.19 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1sr6 h ALA 380 Cb 0.35 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1sr6 h ALA 380 CO 0.00 0.08 -1.15 0.93 0.00 0.00 0.00 179.25 179.11 1sr6 h GLU 381 N 0.00 0.40 -0.66 0.00 5.08 -0.99 -2.17 114.58 116.25 1sr6 h GLU 381 Ca -0.00 -0.69 -0.08 0.00 -1.00 0.00 0.00 59.36 57.59 1sr6 h GLU 381 Cb 1.04 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1sr6 h GLU 381 CO 0.01 1.33 0.10 0.87 -1.00 0.00 0.00 179.01 180.32 1sr6 h LYS 382 N -0.14 1.08 -0.31 2.33 1.57 -1.35 0.19 116.57 119.95 1sr6 h LYS 382 Ca -0.21 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1sr6 h LYS 382 Cb 1.88 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 1sr6 h LYS 382 CO 0.20 0.99 0.08 0.28 -0.57 0.00 0.00 179.45 180.43 1sr6 h VAL 383 N 1.02 1.22 -0.95 0.50 2.07 -1.52 -1.76 116.25 116.83 1sr6 h VAL 383 Ca 0.20 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1sr6 h VAL 383 Cb 0.44 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1sr6 h VAL 383 CO 0.01 0.24 0.63 0.00 0.02 0.00 0.00 177.57 178.47 1sr6 h ALA 384 N 0.91 1.34 0.90 1.67 0.00 -0.90 -0.30 119.26 122.89 1sr6 h ALA 384 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1sr6 h ALA 384 Cb 0.29 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sr6 h ALA 384 CO 0.00 0.60 -0.43 0.35 0.00 0.00 0.00 179.25 179.76 1sr6 h PHE 385 N 1.26 -1.12 0.00 0.00 -0.00 -0.27 0.16 116.94 116.96 1sr6 h PHE 385 Ca 0.35 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 58.29 1sr6 h PHE 385 Cb -0.11 0.37 -0.00 0.00 -0.00 0.00 0.00 35.95 36.22 1sr6 h PHE 385 CO -0.00 -0.70 -0.02 -0.07 -0.00 0.00 0.00 178.31 177.52 1sr6 h LEU 386 N -1.26 0.00 -1.24 0.59 3.38 -1.23 -1.51 115.31 114.04 1sr6 h LEU 386 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sr6 h LEU 386 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1sr6 h LEU 386 CO 0.20 0.02 -0.07 0.00 0.09 0.00 0.00 178.44 178.68 1sr6 n GLY 388 N 1.27 -0.31 2.93 0.00 0.00 0.24 -4.33 105.19 104.99 1sr6 n GLY 388 Ca 0.16 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1sr6 n GLY 388 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sr6 n ILE 389 N -4.32 0.00 -3.22 -0.61 -5.35 0.32 -1.97 119.36 104.22 1sr6 n ILE 389 Ca -0.08 -2.06 -0.39 0.00 -0.27 0.00 0.00 62.75 59.95 1sr6 n ILE 389 Cb 0.60 0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 39.14 1sr6 n ILE 389 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1sr6 s ASN 390 N -3.20 6.75 0.39 7.28 2.47 -1.26 -4.40 114.94 122.98 1sr6 s ASN 390 Ca 0.16 0.90 0.16 0.00 0.42 0.00 0.00 52.86 54.50 1sr6 s ASN 390 Cb 0.01 -2.33 0.81 0.00 -1.45 0.00 0.00 41.25 38.29 1sr6 s ASN 390 CO 0.11 -0.08 1.84 0.00 -3.72 0.00 0.00 177.10 175.25 1sr6 h ALA 391 N 6.88 1.28 -0.23 1.71 0.00 -1.90 0.56 119.26 127.57 1sr6 h ALA 391 Ca -0.39 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 1sr6 h ALA 391 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sr6 h ALA 391 CO 0.76 0.43 -0.45 0.78 0.00 0.00 0.00 179.25 180.77 1sr6 h GLY 392 N 1.28 0.78 0.85 0.00 0.00 -1.92 -0.71 103.07 103.34 1sr6 h GLY 392 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 1sr6 h GLY 392 CO 0.04 0.82 -0.10 -0.55 0.00 0.00 0.00 176.54 176.76 1sr6 h ASP 393 N 0.43 -0.23 -0.02 0.19 5.19 -1.81 0.55 116.42 120.71 1sr6 h ASP 393 Ca 0.01 -0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1sr6 h ASP 393 Cb 1.05 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 1sr6 h ASP 393 CO 0.10 -0.03 -0.27 0.25 -3.12 0.00 0.00 179.24 176.16 1sr6 h LEU 394 N -0.43 -0.82 -1.21 1.55 5.85 0.14 -0.52 115.31 119.87 1sr6 h LEU 394 Ca -0.03 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1sr6 h LEU 394 Cb 0.33 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1sr6 h LEU 394 CO 0.05 -0.34 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.37 1sr6 h LEU 395 N -0.41 0.00 -0.50 2.25 3.38 -1.12 0.29 115.31 119.21 1sr6 h LEU 395 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1sr6 h LEU 395 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1sr6 h LEU 395 CO -0.25 0.36 -0.60 0.50 0.09 0.00 0.00 178.44 178.54 1sr6 h LYS 396 N 0.00 0.49 0.04 1.13 3.64 -0.31 0.05 116.57 121.60 1sr6 h LYS 396 Ca -0.00 -0.33 -0.24 0.00 -1.27 0.00 0.00 60.65 58.81 1sr6 h LYS 396 Cb 0.73 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1sr6 h LYS 396 CO 0.05 0.95 -1.14 0.00 -2.27 0.00 0.00 179.45 177.03 1sr6 h ALA 397 N 0.98 0.32 -0.06 5.00 0.00 -0.78 -2.89 119.26 121.82 1sr6 h ALA 397 Ca -0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 54.91 53.79 1sr6 h ALA 397 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sr6 h ALA 397 CO 0.11 1.20 -0.67 1.25 0.00 0.00 0.00 179.25 181.15 1sr6 h LEU 398 N 0.02 0.31 0.00 0.00 5.85 -0.32 -3.19 115.31 117.98 1sr6 h LEU 398 Ca -0.07 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1sr6 h LEU 398 Cb 1.85 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1sr6 h LEU 398 CO 0.15 0.89 0.00 0.18 -0.34 0.00 0.00 178.44 179.31 1sr6 n LEU 399 N -3.83 0.00 -4.42 2.25 4.77 -0.01 -4.75 117.00 111.01 1sr6 n LEU 399 Ca -0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.51 1sr6 n LEU 399 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1sr6 n LEU 399 CO 0.46 0.00 0.72 -0.75 -1.33 0.00 0.00 177.39 176.49 1sr6 s LYS 400 N 0.00 3.31 0.20 3.23 2.20 -1.09 -4.02 119.74 123.56 1sr6 s LYS 400 Ca 0.00 -1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 54.18 1sr6 s LYS 400 Cb 0.00 -4.50 0.01 0.00 -1.51 0.00 0.00 37.83 31.83 1sr6 s LYS 400 CO 0.00 -1.69 0.03 -2.30 -0.36 0.00 0.00 175.35 171.03 1sr6 n PRO 401 N 6.64 1.43 -3.20 4.03 -0.02 -1.12 -4.58 135.00 138.18 1sr6 n PRO 401 Ca 0.06 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1sr6 n PRO 401 Cb 0.46 -0.36 -0.01 0.00 -0.02 0.00 0.00 33.50 33.56 1sr6 n PRO 401 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1sr6 s LYS 402 N -1.00 0.65 0.29 -0.52 2.20 -1.26 -2.95 119.74 117.15 1sr6 s LYS 402 Ca 0.03 0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 1sr6 s LYS 402 Cb -0.00 0.08 0.07 0.00 -1.51 0.00 0.00 37.83 36.46 1sr6 s LYS 402 CO 0.02 -1.11 0.37 1.55 -0.36 0.00 0.00 175.35 175.82 1sr6 n VAL 403 N 4.97 0.00 -3.39 4.02 3.14 0.70 -4.32 118.33 123.45 1sr6 n VAL 403 Ca 0.07 -0.25 -0.26 0.00 -2.96 0.00 0.00 64.34 60.94 1sr6 n VAL 403 Cb 0.54 -1.70 -0.08 0.00 -1.06 0.00 0.00 33.84 31.54 1sr6 n VAL 403 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1sr6 n LYS 404 N -1.93 2.06 -2.74 1.45 4.81 -1.26 -3.68 118.16 116.87 1sr6 n LYS 404 Ca 0.05 -4.32 -0.41 0.00 -0.87 0.00 0.00 58.31 52.76 1sr6 n LYS 404 Cb 0.17 -2.01 -0.05 0.00 0.02 0.00 0.00 35.03 33.15 1sr6 n LYS 404 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1sr6 s VAL 405 N -2.11 4.34 0.30 3.15 1.01 -1.26 -4.85 120.40 120.97 1sr6 s VAL 405 Ca 0.38 2.08 -0.26 0.00 0.00 0.00 0.00 61.98 64.18 1sr6 s VAL 405 Cb 0.15 -4.32 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 1sr6 s VAL 405 CO -0.04 0.39 0.56 0.61 0.00 0.00 0.00 175.10 176.61 1sr6 n GLY 406 N 1.96 -1.55 2.59 4.51 0.00 -1.26 -0.55 105.19 110.90 1sr6 n GLY 406 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1sr6 n GLY 406 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sr6 n THR 407 N -0.31 0.00 -2.68 2.61 -1.04 -1.26 -4.42 114.28 107.19 1sr6 n THR 407 Ca 0.14 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.10 1sr6 n THR 407 Cb 0.32 -0.20 0.06 0.00 -1.82 0.00 0.00 70.33 68.69 1sr6 n THR 407 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sr6 n GLU 408 N 0.08 0.52 -1.38 -2.82 1.02 -0.92 -5.15 120.64 112.00 1sr6 n GLU 408 Ca 0.00 -1.12 -0.46 0.00 -0.02 0.00 0.00 57.16 55.56 1sr6 n GLU 408 Cb 0.03 -0.18 -0.02 0.00 -0.02 0.00 0.00 31.44 31.26 1sr6 n GLU 408 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sr6 n MET 409 N -0.20 0.10 -2.71 3.49 0.00 0.29 -4.64 117.12 113.46 1sr6 n MET 409 Ca -0.13 0.03 -0.16 0.00 0.00 0.00 0.00 57.70 57.45 1sr6 n MET 409 Cb 0.73 -1.07 0.04 0.00 0.00 0.00 0.00 33.22 32.91 1sr6 n MET 409 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1sr6 n VAL 410 N -0.35 0.00 -5.22 3.17 0.31 -1.24 -4.77 118.33 110.23 1sr6 n VAL 410 Ca 0.15 -1.52 -0.31 0.00 -0.01 0.00 0.00 64.34 62.65 1sr6 n VAL 410 Cb 0.31 -0.50 -0.17 0.00 -0.91 0.00 0.00 33.84 32.57 1sr6 n VAL 410 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sr6 s THR 411 N -1.83 2.00 0.28 2.52 2.01 -1.26 -0.21 115.64 119.15 1sr6 s THR 411 Ca 0.40 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.47 1sr6 s THR 411 Cb -0.03 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1sr6 s THR 411 CO 0.26 0.55 0.07 -0.54 -0.69 0.00 0.00 174.62 174.27 1sr6 s LYS 412 N -0.00 2.42 -0.18 4.92 1.02 -1.15 -4.92 119.74 121.84 1sr6 s LYS 412 Ca -0.08 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 1sr6 s LYS 412 Cb -0.15 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1sr6 s LYS 412 CO 0.05 0.30 -0.03 0.20 -0.92 0.00 0.00 175.35 174.95 1sr6 s GLY 413 N -3.75 1.69 0.19 -3.33 0.00 -1.26 -2.78 107.32 98.08 1sr6 s GLY 413 Ca 0.33 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1sr6 s GLY 413 CO 0.22 0.10 0.33 1.20 0.00 0.00 0.00 173.10 174.94 1sr6 s GLN 414 N 0.73 3.45 0.55 2.90 -1.52 -1.26 -5.00 119.66 119.51 1sr6 s GLN 414 Ca -0.01 -0.61 0.08 0.00 -1.95 0.00 0.00 55.36 52.87 1sr6 s GLN 414 Cb -0.14 -2.92 0.06 0.00 -0.22 0.00 0.00 33.01 29.79 1sr6 s GLN 414 CO 0.02 0.47 0.67 1.21 -0.25 0.00 0.00 175.29 177.40 1sr6 s ASN 415 N -3.50 5.04 0.04 5.90 3.84 -1.26 -2.88 114.94 122.12 1sr6 s ASN 415 Ca 0.35 -0.90 -0.27 0.00 0.21 0.00 0.00 52.86 52.25 1sr6 s ASN 415 Cb -0.10 0.21 -0.17 0.00 -0.55 0.00 0.00 41.25 40.63 1sr6 s ASN 415 CO 0.29 -1.21 1.47 0.24 -2.79 0.00 0.00 177.10 175.10 1sr6 h MET 416 N 0.39 -0.45 0.62 0.43 2.86 -1.96 -0.62 114.93 116.20 1sr6 h MET 416 Ca -0.33 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1sr6 h MET 416 Cb 1.29 0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.06 1sr6 h MET 416 CO 0.46 -0.20 -0.30 -0.91 1.06 0.00 0.00 176.91 177.02 1sr6 h ASN 417 N -0.63 -0.70 -0.95 1.22 4.21 -2.00 -2.67 115.58 114.06 1sr6 h ASN 417 Ca -0.05 0.02 0.20 0.00 1.21 0.00 0.00 56.30 57.68 1sr6 h ASN 417 Cb 0.46 0.18 -0.08 0.00 -1.12 0.00 0.00 38.32 37.76 1sr6 h ASN 417 CO 0.08 -0.49 0.61 1.56 -1.29 0.00 0.00 177.43 177.90 1sr6 h GLN 418 N -0.84 0.51 0.03 0.81 4.20 -1.93 -1.18 115.11 116.71 1sr6 h GLN 418 Ca -0.08 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.38 1sr6 h GLN 418 Cb 0.64 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.33 1sr6 h GLN 418 CO 0.14 0.33 -0.85 0.28 -0.67 0.00 0.00 178.83 178.06 1sr6 h VAL 419 N 0.52 1.37 0.00 -0.54 2.07 -1.01 -2.59 116.25 116.07 1sr6 h VAL 419 Ca 0.51 -2.23 -0.08 0.00 0.82 0.00 0.00 66.70 65.72 1sr6 h VAL 419 Cb 1.11 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1sr6 h VAL 419 CO -0.24 0.66 -0.39 -0.37 0.02 0.00 0.00 177.57 177.25 1sr6 h VAL 420 N 0.08 1.16 -0.00 2.57 -1.51 -1.10 -1.88 116.25 115.56 1sr6 h VAL 420 Ca -0.11 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.98 1sr6 h VAL 420 Cb 1.55 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 1sr6 h VAL 420 CO 0.17 0.38 -0.10 0.59 -1.23 0.00 0.00 177.57 177.37 1sr6 n ASN 421 N -3.91 0.11 0.03 4.19 4.13 -0.48 -2.75 115.26 116.58 1sr6 n ASN 421 Ca -0.01 0.33 0.04 0.00 1.68 0.00 0.00 54.58 56.61 1sr6 n ASN 421 Cb 0.44 -0.34 -0.08 0.00 -1.54 0.00 0.00 39.78 38.26 1sr6 n ASN 421 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1sr6 n SER 422 N -1.49 0.64 -0.03 6.41 7.64 -0.76 -2.89 113.62 123.14 1sr6 n SER 422 Ca 0.07 0.27 -0.15 0.00 1.01 0.00 0.00 58.87 60.07 1sr6 n SER 422 Cb 0.34 0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 64.06 1sr6 n SER 422 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sr6 h VAL 423 N 0.00 1.45 -0.44 0.44 2.07 -1.37 -1.00 116.25 117.41 1sr6 h VAL 423 Ca -0.12 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1sr6 h VAL 423 Cb 1.38 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 1sr6 h VAL 423 CO 0.02 0.49 0.19 1.23 0.02 0.00 0.00 177.57 179.51 1sr6 h GLY 424 N -0.28 0.66 0.99 2.17 0.00 -1.65 0.27 103.07 105.23 1sr6 h GLY 424 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1sr6 h GLY 424 CO 0.05 0.30 0.15 0.00 0.00 0.00 0.00 176.54 177.04 1sr6 h ALA 425 N 1.59 0.70 -0.11 3.60 0.00 -1.45 0.10 119.26 123.69 1sr6 h ALA 425 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sr6 h ALA 425 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sr6 h ALA 425 CO -0.02 0.37 0.07 1.25 0.00 0.00 0.00 179.25 180.93 1sr6 h LEU 426 N 0.74 0.13 0.16 0.00 5.85 0.18 0.46 115.31 122.82 1sr6 h LEU 426 Ca 0.17 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1sr6 h LEU 426 Cb 0.30 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1sr6 h LEU 426 CO -0.00 0.10 -0.08 0.00 -0.34 0.00 0.00 178.44 178.12 1sr6 h ALA 427 N 1.04 -0.22 0.01 1.25 0.00 -0.80 0.35 119.26 120.90 1sr6 h ALA 427 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1sr6 h ALA 427 Cb -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1sr6 h ALA 427 CO -0.01 -0.58 -0.21 0.87 0.00 0.00 0.00 179.25 179.33 1sr6 h LYS 428 N -0.30 -0.33 -0.43 0.00 1.57 -0.66 0.20 116.57 116.61 1sr6 h LYS 428 Ca -0.02 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sr6 h LYS 428 Cb 0.24 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1sr6 h LYS 428 CO 0.04 -0.22 0.20 1.03 -0.57 0.00 0.00 179.45 179.93 1sr6 h SER 429 N -0.34 0.54 -0.09 0.86 0.87 0.06 -2.26 113.55 113.19 1sr6 h SER 429 Ca 0.05 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1sr6 h SER 429 Cb 0.41 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1sr6 h SER 429 CO -0.18 0.47 -0.12 0.25 -0.53 0.00 0.00 176.83 176.72 1sr6 h LEU 430 N 0.61 0.25 -0.12 2.23 5.85 0.51 -2.75 115.31 121.88 1sr6 h LEU 430 Ca 0.15 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1sr6 h LEU 430 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1sr6 h LEU 430 CO -0.02 0.72 -0.07 0.22 -0.34 0.00 0.00 178.44 178.95 1sr6 h TYR 431 N -0.21 -0.18 0.29 1.25 5.03 -0.40 -0.22 116.97 122.53 1sr6 h TYR 431 Ca 0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1sr6 h TYR 431 Cb 0.66 0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.00 1sr6 h TYR 431 CO 0.10 -0.12 -0.48 0.22 -1.32 0.00 0.00 178.16 176.56 1sr6 h ASP 432 N -0.07 -1.39 -0.65 -2.11 -0.00 -1.47 0.39 116.42 111.12 1sr6 h ASP 432 Ca 0.07 0.13 0.14 0.00 -0.00 0.00 0.00 57.03 57.37 1sr6 h ASP 432 Cb 0.18 0.49 -0.11 0.00 -0.00 0.00 0.00 39.33 39.90 1sr6 h ASP 432 CO -0.17 -0.58 0.05 0.03 -0.00 0.00 0.00 179.24 178.56 1sr6 h ARG 433 N -0.83 0.15 -0.17 0.28 3.08 -1.31 0.12 114.38 115.69 1sr6 h ARG 433 Ca -0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1sr6 h ARG 433 Cb 0.78 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1sr6 h ARG 433 CO -0.18 0.10 0.02 1.98 -1.07 0.00 0.00 179.97 180.82 1sr6 h MET 434 N 0.16 0.08 -0.50 0.04 4.05 -0.18 -0.61 114.93 117.97 1sr6 h MET 434 Ca 0.35 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1sr6 h MET 434 Cb 0.57 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1sr6 h MET 434 CO -0.53 0.05 0.28 0.35 0.23 0.00 0.00 176.91 177.29 1sr6 h PHE 435 N 0.08 0.68 -0.46 1.39 3.04 0.12 0.11 116.94 121.90 1sr6 h PHE 435 Ca 0.08 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1sr6 h PHE 435 Cb 0.09 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1sr6 h PHE 435 CO -0.15 0.50 0.16 -0.91 -2.02 0.00 0.00 178.31 175.89 1sr6 h ASN 436 N 0.67 0.61 -0.07 0.41 2.35 -0.45 -0.30 115.58 118.80 1sr6 h ASN 436 Ca 0.18 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1sr6 h ASN 436 Cb 0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1sr6 h ASN 436 CO -0.03 0.58 -0.37 -0.25 -1.65 0.00 0.00 177.43 175.71 1sr6 h TRP 437 N 0.66 0.68 0.73 1.19 7.01 -0.41 -1.83 115.95 123.98 1sr6 h TRP 437 Ca 0.16 -0.19 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1sr6 h TRP 437 Cb 0.18 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1sr6 h TRP 437 CO 0.01 0.87 -0.35 1.25 -2.79 0.00 0.00 178.44 177.43 1sr6 h LEU 438 N 0.48 -0.83 -0.68 0.65 6.46 0.45 0.13 115.31 121.97 1sr6 h LEU 438 Ca 0.05 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 1sr6 h LEU 438 Cb 0.87 0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.94 1sr6 h LEU 438 CO 0.07 -0.53 0.30 0.58 -0.62 0.00 0.00 178.44 178.24 1sr6 h VAL 439 N -1.08 0.78 -0.14 1.05 2.07 -1.12 0.23 116.25 118.05 1sr6 h VAL 439 Ca -0.10 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1sr6 h VAL 439 Cb 0.77 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1sr6 h VAL 439 CO 0.16 0.09 -0.12 -0.09 0.02 0.00 0.00 177.57 177.63 1sr6 h ARG 440 N 0.50 0.21 -0.06 1.57 2.43 -1.21 0.28 114.38 118.10 1sr6 h ARG 440 Ca 0.35 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1sr6 h ARG 440 Cb 0.42 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1sr6 h ARG 440 CO -0.31 0.34 -0.46 -0.09 -1.51 0.00 0.00 179.97 177.94 1sr6 h ARG 441 N 0.20 0.42 -0.36 0.20 9.65 0.14 -1.93 114.38 122.70 1sr6 h ARG 441 Ca 0.04 -0.37 0.02 0.00 -1.10 0.00 0.00 59.98 58.57 1sr6 h ARG 441 Cb 0.35 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1sr6 h ARG 441 CO 0.02 1.02 0.21 0.28 2.80 0.00 0.00 179.97 184.29 1sr6 h VAL 442 N -0.05 1.03 -0.58 0.20 2.07 -0.28 -1.31 116.25 117.34 1sr6 h VAL 442 Ca -0.04 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.43 1sr6 h VAL 442 Cb 1.13 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1sr6 h VAL 442 CO 0.09 0.08 0.16 0.78 0.02 0.00 0.00 177.57 178.70 1sr6 h ASN 443 N 0.43 0.09 -0.83 0.57 2.35 -0.93 0.21 115.58 117.47 1sr6 h ASN 443 Ca 0.15 0.09 0.18 0.00 -0.55 0.00 0.00 56.30 56.17 1sr6 h ASN 443 Cb 0.01 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1sr6 h ASN 443 CO -0.07 0.06 0.56 0.50 -1.65 0.00 0.00 177.43 176.82 1sr6 h LYS 444 N 0.31 0.39 0.06 0.81 3.64 -0.43 -0.84 116.57 120.51 1sr6 h LYS 444 Ca 0.30 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1sr6 h LYS 444 Cb 0.41 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1sr6 h LYS 444 CO -0.35 0.26 -0.03 1.15 -2.27 0.00 0.00 179.45 178.21 1sr6 h THR 445 N 0.40 1.16 0.00 1.00 2.02 -0.03 -3.27 112.91 114.18 1sr6 h THR 445 Ca 0.42 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1sr6 h THR 445 Cb 1.04 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1sr6 h THR 445 CO -0.14 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.27 1sr6 n LEU 446 N -4.79 0.00 -4.36 2.58 4.77 -0.49 -4.34 117.00 110.37 1sr6 n LEU 446 Ca -0.08 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 1sr6 n LEU 446 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1sr6 n LEU 446 CO 0.27 0.00 1.06 -0.67 -1.33 0.00 0.00 177.39 176.71 1sr6 n ASP 447 N -0.94 5.44 -4.58 -1.43 2.03 -0.38 -3.04 116.55 113.64 1sr6 n ASP 447 Ca 0.09 -3.03 -0.43 0.00 0.52 0.00 0.00 54.79 51.94 1sr6 n ASP 447 Cb 0.04 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 38.97 1sr6 n ASP 447 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1sr6 s THR 448 N -0.26 4.13 -0.82 5.18 -4.23 -1.26 -4.90 115.64 113.48 1sr6 s THR 448 Ca 0.36 0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 61.65 1sr6 s THR 448 Cb -0.06 -4.66 -0.21 0.00 1.34 0.00 0.00 72.50 68.91 1sr6 s THR 448 CO -0.04 -1.19 2.15 0.29 -0.54 0.00 0.00 174.62 175.29 1sr6 n LYS 449 N 8.10 0.24 -2.84 3.99 4.76 -1.26 -4.59 118.16 126.55 1sr6 n LYS 449 Ca 0.09 -0.54 -0.11 0.00 -2.87 0.00 0.00 58.31 54.88 1sr6 n LYS 449 Cb 0.49 -2.45 0.06 0.00 -1.84 0.00 0.00 35.03 31.28 1sr6 n LYS 449 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sr6 n ALA 450 N 12.54 0.80 -0.50 7.82 0.00 -1.26 -5.07 120.51 134.83 1sr6 n ALA 450 Ca 0.50 -2.14 -0.05 0.00 0.00 0.00 0.00 53.44 51.75 1sr6 n ALA 450 Cb 0.33 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1sr6 n ALA 450 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sr6 n LYS 451 N 0.12 0.00 -0.63 0.00 0.00 -1.26 -4.80 118.16 111.58 1sr6 n LYS 451 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.26 1sr6 n LYS 451 Cb 0.73 -0.40 0.10 0.00 0.00 0.00 0.00 35.03 35.46 1sr6 n LYS 451 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1sr6 n ARG 452 N 2.01 -1.44 -0.07 1.64 0.00 -1.26 -5.04 116.66 112.49 1sr6 n ARG 452 Ca 0.14 -0.43 -0.07 0.00 -0.00 0.00 0.00 57.85 57.50 1sr6 n ARG 452 Cb 0.12 -1.31 -0.02 0.00 -0.00 0.00 0.00 32.46 31.25 1sr6 n ARG 452 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1sr6 n ASN 453 N 0.29 1.69 -3.47 2.89 3.02 -0.89 -5.04 115.26 113.75 1sr6 n ASN 453 Ca 0.03 0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 54.81 1sr6 n ASN 453 Cb 0.29 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 1sr6 n ASN 453 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1sr6 s TYR 454 N -2.49 1.69 0.35 3.10 2.02 -1.25 -5.03 117.35 115.75 1sr6 s TYR 454 Ca -0.21 -1.63 -0.05 0.00 -0.37 0.00 0.00 57.07 54.82 1sr6 s TYR 454 Cb 0.03 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1sr6 s TYR 454 CO 0.31 -0.83 0.53 1.52 -1.57 0.00 0.00 175.55 175.51 1sr6 s TYR 455 N -3.52 0.91 -0.25 2.71 -0.85 -1.26 -1.52 117.35 113.57 1sr6 s TYR 455 Ca 0.40 -1.21 -0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1sr6 s TYR 455 Cb 0.03 0.06 0.12 0.00 0.38 0.00 0.00 41.96 42.56 1sr6 s TYR 455 CO 0.26 -1.21 0.31 -1.50 -1.52 0.00 0.00 175.55 171.89 1sr6 s ILE 456 N -2.93 -0.47 0.16 -3.49 2.07 -0.46 -1.67 121.20 114.40 1sr6 s ILE 456 Ca 0.28 -0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 59.18 1sr6 s ILE 456 Cb -0.01 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 1sr6 s ILE 456 CO 0.19 -0.25 0.56 -0.83 -1.91 0.00 0.00 174.94 172.70 1sr6 s GLY 457 N 2.43 2.44 -0.21 1.50 0.00 0.93 -2.02 107.32 112.39 1sr6 s GLY 457 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 1sr6 s GLY 457 CO -0.20 0.13 -0.11 0.14 0.00 0.00 0.00 173.10 173.06 1sr6 s VAL 458 N -1.53 2.72 0.23 1.40 1.01 0.25 -0.03 120.40 124.45 1sr6 s VAL 458 Ca 0.40 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1sr6 s VAL 458 Cb -0.14 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 1sr6 s VAL 458 CO 0.19 0.39 0.54 -0.22 0.00 0.00 0.00 175.10 176.01 1sr6 s LEU 459 N 1.36 4.16 -0.50 3.92 2.96 -0.41 -0.57 118.68 129.60 1sr6 s LEU 459 Ca 0.04 0.90 0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1sr6 s LEU 459 Cb -0.15 -3.67 0.19 0.00 0.50 0.00 0.00 46.19 43.07 1sr6 s LEU 459 CO -0.07 -0.08 0.68 -0.67 -1.32 0.00 0.00 176.35 174.89 1sr6 n ASP 460 N -0.17 -2.84 -4.57 3.68 2.03 -0.12 -2.58 116.55 111.99 1sr6 n ASP 460 Ca 0.00 -2.86 -0.27 0.00 0.52 0.00 0.00 54.79 52.18 1sr6 n ASP 460 Cb 0.52 1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 42.15 1sr6 n ASP 460 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1sr6 s ILE 461 N 0.67 2.16 0.71 5.18 -4.36 -1.24 -1.41 121.20 122.92 1sr6 s ILE 461 Ca 0.31 -2.14 -0.15 0.00 -0.26 0.00 0.00 60.65 58.40 1sr6 s ILE 461 Cb 0.03 -2.75 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1sr6 s ILE 461 CO -0.10 -0.14 1.19 0.00 0.24 0.00 0.00 174.94 176.13 1sr6 s ALA 462 N -2.64 2.20 0.66 2.27 0.00 -1.26 -4.44 121.76 118.54 1sr6 s ALA 462 Ca 0.33 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1sr6 s ALA 462 Cb 0.05 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.84 1sr6 s ALA 462 CO 0.17 -1.74 0.92 0.20 0.00 0.00 0.00 175.76 175.31 1sr6 s GLY 463 N -2.09 1.74 -0.09 0.00 0.00 -0.97 -4.79 107.32 101.12 1sr6 s GLY 463 Ca 0.73 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 1sr6 s GLY 463 CO 0.44 -1.41 1.66 -0.12 0.00 0.00 0.00 173.10 173.66 1sr6 s PHE 464 N -2.95 1.99 -0.00 1.90 5.36 -1.26 -4.77 117.98 118.24 1sr6 s PHE 464 Ca 0.65 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.91 1sr6 s PHE 464 Cb -0.05 -3.92 -0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1sr6 s PHE 464 CO 0.42 -3.67 -0.06 -2.00 -1.46 0.00 0.00 175.22 168.45 1sr6 s GLU 465 N 4.22 0.50 -0.07 10.12 2.12 -1.26 -4.80 118.70 129.53 1sr6 s GLU 465 Ca 0.74 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.88 1sr6 s GLU 465 Cb -0.32 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 33.56 1sr6 s GLU 465 CO 0.29 0.13 -0.15 0.42 -0.54 0.00 0.00 175.26 175.42 1sr6 s ILE 466 N -0.14 3.01 0.00 -3.70 1.01 -1.26 -4.88 121.20 115.23 1sr6 s ILE 466 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1sr6 s ILE 466 Cb -0.02 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1sr6 s ILE 466 CO -0.00 0.58 0.00 0.49 0.00 0.00 0.00 174.94 176.00 1sr6 n PHE 467 N 2.58 0.00 0.08 3.97 3.72 -1.26 -5.04 117.46 121.51 1sr6 n PHE 467 Ca -0.17 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.06 1sr6 n PHE 467 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 1sr6 n PHE 467 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1sr6 h ASP 468 N 0.00 0.63 -3.35 4.37 3.32 -1.96 -3.42 116.42 116.01 1sr6 h ASP 468 Ca 0.00 -0.55 -0.55 0.00 0.02 0.00 0.00 57.03 55.95 1sr6 h ASP 468 Cb 0.00 -0.20 -0.38 0.00 0.22 0.00 0.00 39.33 38.97 1sr6 h ASP 468 CO 0.00 1.37 -0.78 0.12 -1.72 0.00 0.00 179.24 178.22 1sr6 s PHE 469 N -3.10 1.60 -0.13 4.55 5.36 -1.26 0.08 117.98 125.09 1sr6 s PHE 469 Ca -0.07 -1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 54.82 1sr6 s PHE 469 Cb 0.08 -1.26 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1sr6 s PHE 469 CO 0.89 -0.62 -0.09 -0.80 -1.46 0.00 0.00 175.22 173.15 1sr6 s ASN 470 N 1.67 4.41 0.00 6.13 0.02 -1.26 -5.05 114.94 120.85 1sr6 s ASN 470 Ca -0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 52.86 51.64 1sr6 s ASN 470 Cb -0.16 -1.58 0.00 0.00 0.02 0.00 0.00 41.25 39.53 1sr6 s ASN 470 CO -0.07 0.20 0.00 -0.24 0.02 0.00 0.00 177.10 177.01 1sr6 n SER 471 N 3.29 1.62 -0.33 -1.22 2.88 -1.26 -1.35 113.62 117.25 1sr6 n SER 471 Ca -0.18 -0.95 0.27 0.00 -1.33 0.00 0.00 58.87 56.68 1sr6 n SER 471 Cb 0.53 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.57 1sr6 n SER 471 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1sr6 h PHE 472 N 0.95 0.46 -0.25 0.66 3.57 -1.93 0.20 116.94 120.60 1sr6 h PHE 472 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1sr6 h PHE 472 Cb 0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1sr6 h PHE 472 CO 0.00 0.02 -0.07 0.93 -2.23 0.00 0.00 178.31 176.97 1sr6 h GLU 473 N 0.26 0.49 -0.15 1.11 3.07 -1.98 -2.08 114.58 115.30 1sr6 h GLU 473 Ca 0.60 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 59.20 1sr6 h GLU 473 Cb 1.78 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.66 1sr6 h GLU 473 CO -0.22 0.72 -0.21 1.96 -1.40 0.00 0.00 179.01 179.86 1sr6 h GLN 474 N 0.23 0.26 0.06 2.33 7.50 -1.05 -2.00 115.11 122.44 1sr6 h GLN 474 Ca 0.06 -0.08 -0.00 0.00 0.50 0.00 0.00 58.65 59.13 1sr6 h GLN 474 Cb 0.54 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1sr6 h GLN 474 CO 0.03 0.47 -0.03 1.25 -1.50 0.00 0.00 178.83 179.04 1sr6 h LEU 475 N 0.24 -0.07 -0.82 1.46 6.46 -0.92 0.12 115.31 121.79 1sr6 h LEU 475 Ca 0.04 -0.14 0.10 0.00 -0.12 0.00 0.00 57.88 57.76 1sr6 h LEU 475 Cb 0.51 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 1sr6 h LEU 475 CO 0.03 0.10 0.46 0.00 -0.62 0.00 0.00 178.44 178.41 1sr6 h ILE 477 N 0.76 0.00 -0.81 0.00 1.08 -1.06 -1.99 117.51 115.49 1sr6 h ILE 477 Ca 0.40 -0.18 0.11 0.00 -0.39 0.00 0.00 64.86 64.80 1sr6 h ILE 477 Cb 0.39 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 1sr6 h ILE 477 CO -0.26 0.00 0.53 0.78 -0.69 0.00 0.00 178.15 178.51 1sr6 h ASN 478 N -1.03 0.64 -0.46 1.72 -0.26 -0.60 -0.08 115.58 115.51 1sr6 h ASN 478 Ca -0.09 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 1sr6 h ASN 478 Cb 0.65 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 1sr6 h ASN 478 CO 0.14 0.37 0.09 0.22 -1.06 0.00 0.00 177.43 177.19 1sr6 h TYR 479 N 0.70 0.84 0.26 1.19 3.20 -0.03 0.19 116.97 123.33 1sr6 h TYR 479 Ca 0.38 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1sr6 h TYR 479 Cb 0.52 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1sr6 h TYR 479 CO -0.00 0.73 -0.13 1.15 -1.64 0.00 0.00 178.16 178.27 1sr6 h THR 480 N 0.78 0.72 -0.25 1.81 2.02 -0.25 -2.64 112.91 115.09 1sr6 h THR 480 Ca 0.17 -0.76 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1sr6 h THR 480 Cb 0.34 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1sr6 h THR 480 CO 0.00 0.14 0.21 0.78 0.37 0.00 0.00 175.52 177.03 1sr6 h ASN 481 N -0.80 0.00 0.32 4.18 2.35 -1.28 0.21 115.58 120.56 1sr6 h ASN 481 Ca -0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1sr6 h ASN 481 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1sr6 h ASN 481 CO 0.06 0.00 -0.15 -0.08 -1.65 0.00 0.00 177.43 175.61 1sr6 h GLU 482 N 0.00 -0.41 -0.78 0.81 4.57 -0.77 1.74 114.58 119.74 1sr6 h GLU 482 Ca 0.12 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1sr6 h GLU 482 Cb 0.53 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1sr6 h GLU 482 CO -0.00 -0.25 0.46 0.00 -1.18 0.00 0.00 179.01 178.04 1sr6 h ARG 483 N -0.46 1.07 -0.65 1.92 2.47 -0.78 -1.91 114.38 116.04 1sr6 h ARG 483 Ca -0.04 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.52 1sr6 h ARG 483 Cb 0.35 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 1sr6 h ARG 483 CO 0.07 0.77 0.19 -0.07 0.56 0.00 0.00 179.97 181.49 1sr6 h LEU 484 N 1.07 0.96 -0.87 3.04 3.38 0.16 -2.23 115.31 120.82 1sr6 h LEU 484 Ca 0.28 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1sr6 h LEU 484 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1sr6 h LEU 484 CO -0.05 0.92 -0.02 -0.61 0.09 0.00 0.00 178.44 178.77 1sr6 h GLN 485 N 0.95 0.81 -0.26 1.13 5.75 0.29 -2.03 115.11 121.75 1sr6 h GLN 485 Ca 0.21 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1sr6 h GLN 485 Cb 0.32 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1sr6 h GLN 485 CO -0.00 0.83 0.12 0.37 -2.65 0.00 0.00 178.83 177.50 1sr6 h GLN 486 N 0.75 0.36 -0.45 1.69 4.15 -1.02 -0.24 115.11 120.35 1sr6 h GLN 486 Ca 0.14 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1sr6 h GLN 486 Cb 0.49 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1sr6 h GLN 486 CO 0.02 0.29 0.10 0.35 -1.93 0.00 0.00 178.83 177.66 1sr6 h PHE 487 N 0.36 0.70 0.17 3.99 3.57 -0.77 -2.06 116.94 122.90 1sr6 h PHE 487 Ca 0.09 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sr6 h PHE 487 Cb 0.05 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1sr6 h PHE 487 CO 0.00 0.61 -0.08 0.35 -2.23 0.00 0.00 178.31 176.95 1sr6 h PHE 488 N 0.66 -0.21 -0.99 0.41 3.04 -0.90 -2.10 116.94 116.85 1sr6 h PHE 488 Ca 0.15 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.29 1sr6 h PHE 488 Cb 0.27 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 38.74 1sr6 h PHE 488 CO 0.01 0.21 0.60 -0.91 -2.02 0.00 0.00 178.31 176.20 1sr6 h ASN 489 N -0.80 0.75 -0.33 0.41 -0.26 -1.25 0.72 115.58 114.83 1sr6 h ASN 489 Ca -0.02 0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1sr6 h ASN 489 Cb 0.52 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1sr6 h ASN 489 CO 0.04 0.25 0.02 -0.74 -1.06 0.00 0.00 177.43 175.94 1sr6 h HIS 490 N 0.74 0.61 0.11 1.19 2.76 -1.38 0.22 115.15 119.40 1sr6 h HIS 490 Ca 0.58 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 1sr6 h HIS 490 Cb 0.91 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1sr6 h HIS 490 CO -0.01 0.67 -0.05 1.25 -1.30 0.00 0.00 177.93 178.48 1sr6 h HIS 491 N 0.38 -0.14 -0.86 5.26 -0.00 0.15 -1.19 115.15 118.74 1sr6 h HIS 491 Ca 0.09 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 1sr6 h HIS 491 Cb 0.41 0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 1sr6 h HIS 491 CO 0.03 -0.03 0.56 1.98 -0.00 0.00 0.00 177.93 180.47 1sr6 h MET 492 N -0.21 0.83 0.63 5.26 -1.53 0.38 -1.29 114.93 119.00 1sr6 h MET 492 Ca -0.02 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 1sr6 h MET 492 Cb 0.17 -0.19 0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1sr6 h MET 492 CO 0.03 0.55 -0.30 0.35 0.14 0.00 0.00 176.91 177.67 1sr6 h PHE 493 N 0.85 -0.78 -0.64 1.39 3.04 0.11 -0.63 116.94 120.27 1sr6 h PHE 493 Ca 0.40 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.39 1sr6 h PHE 493 Cb 0.39 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.10 1sr6 h PHE 493 CO -0.00 -0.47 0.34 0.82 -2.02 0.00 0.00 178.31 176.97 1sr6 h ILE 494 N -0.87 0.94 -0.15 1.41 2.04 -0.93 -0.81 117.51 119.14 1sr6 h ILE 494 Ca -0.09 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1sr6 h ILE 494 Cb 0.65 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1sr6 h ILE 494 CO 0.14 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 178.29 1sr6 h LEU 495 N 0.62 -0.15 -0.51 1.44 3.38 -1.11 -1.62 115.31 117.36 1sr6 h LEU 495 Ca 0.29 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sr6 h LEU 495 Cb 0.22 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1sr6 h LEU 495 CO -0.20 -0.06 0.33 -0.08 0.09 0.00 0.00 178.44 178.52 1sr6 h GLU 496 N -0.01 0.69 0.53 1.13 4.57 -0.50 -2.30 114.58 118.69 1sr6 h GLU 496 Ca 0.07 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1sr6 h GLU 496 Cb 0.12 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1sr6 h GLU 496 CO -0.16 0.48 -0.43 1.96 -1.18 0.00 0.00 179.01 179.68 1sr6 h GLN 497 N 0.69 -0.90 -0.15 1.92 4.20 -0.91 -0.76 115.11 119.20 1sr6 h GLN 497 Ca 0.19 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.00 1sr6 h GLN 497 Cb -0.05 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1sr6 h GLN 497 CO -0.04 -0.60 0.26 0.93 -0.67 0.00 0.00 178.83 178.71 1sr6 h GLU 498 N -0.94 0.00 0.02 1.46 4.39 -1.23 0.24 114.58 118.52 1sr6 h GLU 498 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1sr6 h GLU 498 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1sr6 h GLU 498 CO -0.00 0.00 -0.01 1.49 -1.16 0.00 0.00 179.01 179.33 1sr6 h GLU 499 N 0.00 -0.03 -0.23 2.33 4.57 -0.77 -2.39 114.58 118.05 1sr6 h GLU 499 Ca 0.07 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1sr6 h GLU 499 Cb 0.59 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1sr6 h GLU 499 CO -0.00 0.54 -0.01 1.88 -1.18 0.00 0.00 179.01 180.24 1sr6 h TYR 500 N -0.98 -0.03 -0.50 0.92 0.05 -0.37 -0.72 116.97 115.35 1sr6 h TYR 500 Ca -0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1sr6 h TYR 500 Cb 0.58 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 1sr6 h TYR 500 CO 0.15 -0.05 0.25 -0.22 -1.05 0.00 0.00 178.16 177.25 1sr6 h LYS 501 N 0.06 0.68 0.00 4.88 3.64 -1.12 -0.31 116.57 124.40 1sr6 h LYS 501 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sr6 h LYS 501 Cb 0.15 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1sr6 h LYS 501 CO -0.20 0.52 0.00 1.17 -2.27 0.00 0.00 179.45 178.68 1sr6 n LYS 502 N -4.39 0.18 -0.49 1.90 4.81 -0.38 -2.46 118.16 117.32 1sr6 n LYS 502 Ca 0.04 0.43 0.05 0.00 -0.87 0.00 0.00 58.31 57.96 1sr6 n LYS 502 Cb 0.11 -1.86 0.19 0.00 0.02 0.00 0.00 35.03 33.49 1sr6 n LYS 502 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sr6 n GLU 503 N -2.21 1.69 -0.70 1.64 -0.58 -0.21 -4.88 120.64 115.38 1sr6 n GLU 503 Ca 0.02 -3.04 -0.01 0.00 -0.42 0.00 0.00 57.16 53.70 1sr6 n GLU 503 Cb 0.21 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1sr6 n GLU 503 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sr6 n GLY 504 N -1.15 0.14 2.03 0.62 0.00 -1.03 -2.86 105.19 102.94 1sr6 n GLY 504 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1sr6 n GLY 504 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sr6 n ILE 505 N -1.31 2.93 -0.65 -0.61 0.00 -0.69 -5.00 119.36 114.03 1sr6 n ILE 505 Ca -0.01 -3.58 -0.32 0.00 0.00 0.00 0.00 62.75 58.83 1sr6 n ILE 505 Cb 0.32 -1.04 0.18 0.00 0.00 0.00 0.00 39.64 39.10 1sr6 n ILE 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sr6 n ALA 506 N -0.84 -3.86 -3.62 1.51 0.00 -1.14 -4.73 120.51 107.84 1sr6 n ALA 506 Ca 0.50 -1.23 -0.04 0.00 0.00 0.00 0.00 53.44 52.67 1sr6 n ALA 506 Cb 0.88 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1sr6 n ALA 506 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1sr6 s TRP 507 N -2.27 -0.18 0.00 0.00 -0.00 -1.26 -4.96 118.94 110.26 1sr6 s TRP 507 Ca 0.58 0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.70 1sr6 s TRP 507 Cb -0.15 0.57 0.00 0.00 -0.00 0.00 0.00 33.47 33.89 1sr6 s TRP 507 CO 0.66 -0.51 0.00 -0.85 -0.00 0.00 0.00 176.95 176.25 1sr6 n GLU 508 N -0.33 0.00 0.00 5.86 0.28 -1.26 -4.93 120.64 120.26 1sr6 n GLU 508 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1sr6 n GLU 508 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 1sr6 n GLU 508 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1sr6 n PHE 509 N 0.00 -1.86 0.00 -1.84 0.99 -1.26 -5.07 117.46 108.42 1sr6 n PHE 509 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1sr6 n PHE 509 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1sr6 n PHE 509 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1sr6 n ILE 510 N -0.87 0.00 0.00 4.37 5.41 -1.26 -5.17 119.36 121.84 1sr6 n ILE 510 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1sr6 n ILE 510 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1sr6 n ILE 510 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sr6 n ASP 511 N -0.11 0.00 0.24 4.38 -0.08 -1.26 -5.04 116.55 114.69 1sr6 n ASP 511 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 1sr6 n ASP 511 Cb 0.00 0.00 0.46 0.00 2.34 0.00 0.00 41.12 43.92 1sr6 n ASP 511 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sr6 h PHE 512 N 0.00 0.00 -0.35 -0.67 0.04 -1.93 -3.31 116.94 110.72 1sr6 h PHE 512 Ca 0.00 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.07 1sr6 h PHE 512 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 1sr6 h PHE 512 CO 0.00 0.07 2.76 0.41 -0.60 0.00 0.00 178.31 180.94 1sr6 n GLY 513 N 0.44 3.66 0.00 -1.45 0.00 -1.26 -4.59 105.19 101.99 1sr6 n GLY 513 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1sr6 n GLY 513 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sr6 n MET 514 N 7.03 0.00 0.00 1.61 2.00 -1.25 -4.65 117.12 121.87 1sr6 n MET 514 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.21 1sr6 n MET 514 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.64 1sr6 n MET 514 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1sr6 n ASP 515 N 0.00 0.00 0.09 7.83 5.68 -1.26 -0.45 116.55 128.43 1sr6 n ASP 515 Ca 0.00 0.29 -0.05 0.00 -0.50 0.00 0.00 54.79 54.53 1sr6 n ASP 515 Cb 0.00 -0.29 0.10 0.00 -1.14 0.00 0.00 41.12 39.79 1sr6 n ASP 515 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1sr6 h LEU 516 N 0.00 0.26 -0.54 -2.12 -0.00 -1.84 -3.29 115.31 107.78 1sr6 h LEU 516 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 57.88 57.57 1sr6 h LEU 516 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1sr6 h LEU 516 CO 0.00 0.83 -0.44 1.56 -0.00 0.00 0.00 178.44 180.39 1sr6 h GLN 517 N 0.17 0.68 -0.20 1.13 1.08 -1.02 -2.34 115.11 114.60 1sr6 h GLN 517 Ca -0.01 -0.37 0.02 0.00 -1.45 0.00 0.00 58.65 56.84 1sr6 h GLN 517 Cb 1.16 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1sr6 h GLN 517 CO 0.10 0.99 0.05 0.52 -0.95 0.00 0.00 178.83 179.53 1sr6 h MET 518 N 0.55 0.13 -0.52 1.46 2.86 -1.70 0.24 114.93 117.94 1sr6 h MET 518 Ca 0.04 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1sr6 h MET 518 Cb 0.98 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1sr6 h MET 518 CO 0.09 0.09 0.17 0.00 1.06 0.00 0.00 176.91 178.32 1sr6 h ILE 520 N 0.71 1.21 -0.48 0.00 2.04 -0.97 -2.61 117.51 117.41 1sr6 h ILE 520 Ca 0.17 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 1sr6 h ILE 520 Cb 0.26 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1sr6 h ILE 520 CO -0.01 0.25 -0.14 0.44 0.00 0.00 0.00 178.15 178.70 1sr6 h ASP 521 N 0.73 0.92 0.00 1.72 3.45 -0.36 0.57 116.42 123.45 1sr6 h ASP 521 Ca 0.18 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.34 1sr6 h ASP 521 Cb 0.17 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1sr6 h ASP 521 CO -0.02 1.05 0.10 0.25 -1.57 0.00 0.00 179.24 179.05 1sr6 h LEU 522 N 0.81 0.00 0.00 1.55 6.46 -0.69 -1.38 115.31 122.06 1sr6 h LEU 522 Ca 0.13 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.55 1sr6 h LEU 522 Cb 0.67 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.55 1sr6 h LEU 522 CO 0.05 0.00 -2.12 -0.38 -0.62 0.00 0.00 178.44 175.37 1sr6 n ILE 523 N -2.83 1.10 0.62 4.05 5.41 -0.70 -0.81 119.36 126.19 1sr6 n ILE 523 Ca -0.02 -0.28 0.11 0.00 1.00 0.00 0.00 62.75 63.56 1sr6 n ILE 523 Cb 0.15 -1.77 -0.01 0.00 -0.71 0.00 0.00 39.64 37.31 1sr6 n ILE 523 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1sr6 n GLU 524 N -3.89 0.25 -2.50 0.38 0.28 0.11 -2.70 120.64 112.58 1sr6 n GLU 524 Ca -0.39 -0.02 -0.31 0.00 -0.16 0.00 0.00 57.16 56.27 1sr6 n GLU 524 Cb 0.78 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 32.06 1sr6 n GLU 524 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1sr6 s LYS 525 N -3.18 3.87 0.00 3.44 -0.14 -0.52 -4.88 119.74 118.33 1sr6 s LYS 525 Ca 0.04 0.79 0.00 0.00 -1.36 0.00 0.00 55.97 55.44 1sr6 s LYS 525 Cb 0.15 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1sr6 s LYS 525 CO 0.82 -0.22 0.00 -2.30 -0.76 0.00 0.00 175.35 172.89 1sr6 n PRO 526 N -1.59 0.00 -1.01 -1.68 -0.02 -1.26 -0.11 135.00 129.33 1sr6 n PRO 526 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.32 1sr6 n PRO 526 Cb 0.54 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.12 1sr6 n PRO 526 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sr6 n MET 527 N -0.92 2.08 -1.68 -0.52 2.81 -1.26 -4.66 117.12 112.97 1sr6 n MET 527 Ca 0.00 -2.33 -0.14 0.00 -1.81 0.00 0.00 57.70 53.43 1sr6 n MET 527 Cb 0.00 -1.91 0.07 0.00 -0.71 0.00 0.00 33.22 30.67 1sr6 n MET 527 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sr6 n GLY 528 N -0.52 0.50 0.00 3.03 0.00 0.84 -4.86 105.19 104.19 1sr6 n GLY 528 Ca 0.45 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1sr6 n GLY 528 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sr6 n ILE 529 N -2.31 0.00 -0.34 -0.61 5.41 0.01 -1.36 119.36 120.16 1sr6 n ILE 529 Ca 0.10 1.16 0.18 0.00 1.00 0.00 0.00 62.75 65.19 1sr6 n ILE 529 Cb 0.34 -1.84 0.40 0.00 -0.71 0.00 0.00 39.64 37.83 1sr6 n ILE 529 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1sr6 h LEU 530 N 0.00 0.57 -0.97 1.39 3.38 -1.77 0.58 115.31 118.49 1sr6 h LEU 530 Ca 0.00 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1sr6 h LEU 530 Cb 0.00 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1sr6 h LEU 530 CO 0.00 0.02 0.63 -1.28 0.09 0.00 0.00 178.44 177.90 1sr6 h SER 531 N 0.48 1.03 0.14 -0.43 0.87 -1.65 0.33 113.55 114.32 1sr6 h SER 531 Ca 0.66 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 61.09 1sr6 h SER 531 Cb 1.32 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1sr6 h SER 531 CO -0.52 0.68 -0.43 0.40 -0.53 0.00 0.00 176.83 176.43 1sr6 h ILE 532 N 1.18 1.32 -0.30 2.23 2.04 0.14 -0.99 117.51 123.12 1sr6 h ILE 532 Ca 0.40 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1sr6 h ILE 532 Cb 0.08 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1sr6 h ILE 532 CO -0.15 0.49 0.14 0.25 0.00 0.00 0.00 178.15 178.88 1sr6 h LEU 533 N 0.30 0.40 -0.18 1.44 6.46 0.21 0.11 115.31 124.05 1sr6 h LEU 533 Ca 0.02 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1sr6 h LEU 533 Cb 0.89 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1sr6 h LEU 533 CO 0.07 0.42 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.93 1sr6 h GLU 534 N 0.36 0.35 -0.41 1.25 5.08 -0.87 -3.09 114.58 117.25 1sr6 h GLU 534 Ca 0.10 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1sr6 h GLU 534 Cb 0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1sr6 h GLU 534 CO -0.01 0.63 0.25 1.49 -1.00 0.00 0.00 179.01 180.36 1sr6 h GLU 535 N 0.06 0.49 -0.31 2.33 4.81 -1.12 -2.54 114.58 118.30 1sr6 h GLU 535 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1sr6 h GLU 535 Cb 0.50 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1sr6 h GLU 535 CO 0.02 0.32 0.00 -1.91 -0.73 0.00 0.00 179.01 176.71 1sr6 n GLU 536 N -4.85 0.71 -0.10 1.92 4.07 0.36 -3.51 120.64 119.25 1sr6 n GLU 536 Ca 0.01 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.95 1sr6 n GLU 536 Cb 0.05 -1.16 -0.09 0.00 -0.06 0.00 0.00 31.44 30.19 1sr6 n GLU 536 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sr6 n MET 538 N -3.35 0.09 -4.27 0.00 -0.00 -1.23 -4.42 117.12 103.94 1sr6 n MET 538 Ca -0.37 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 56.99 1sr6 n MET 538 Cb 0.85 -1.07 -0.12 0.00 -0.00 0.00 0.00 33.22 32.87 1sr6 n MET 538 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1sr6 s PHE 539 N -2.00 3.02 0.02 3.17 0.40 -1.26 -5.05 117.98 116.28 1sr6 s PHE 539 Ca 0.01 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.71 1sr6 s PHE 539 Cb 0.00 -2.01 -0.12 0.00 0.51 0.00 0.00 43.02 41.40 1sr6 s PHE 539 CO 0.00 -0.14 1.15 -1.35 0.70 0.00 0.00 175.22 175.58 1sr6 h PRO 540 N 7.06 -0.76 -2.51 0.24 0.11 -1.94 -3.31 132.00 130.88 1sr6 h PRO 540 Ca -0.33 0.05 -0.29 0.00 0.11 0.00 0.00 66.00 65.54 1sr6 h PRO 540 Cb 1.19 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.44 1sr6 h PRO 540 CO 0.62 -0.51 0.98 1.17 -0.21 0.00 0.00 178.00 180.05 1sr6 n LYS 541 N -4.49 2.13 -3.63 1.05 4.81 -1.26 -4.87 118.16 111.90 1sr6 n LYS 541 Ca -0.10 -1.19 -0.37 0.00 -0.87 0.00 0.00 58.31 55.78 1sr6 n LYS 541 Cb 0.31 -2.17 -0.10 0.00 0.02 0.00 0.00 35.03 33.09 1sr6 n LYS 541 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sr6 s ALA 542 N 1.79 3.57 0.49 3.14 0.00 -1.25 -5.09 121.76 124.41 1sr6 s ALA 542 Ca 0.56 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1sr6 s ALA 542 Cb 0.23 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.96 1sr6 s ALA 542 CO -0.02 -0.37 0.70 0.34 0.00 0.00 0.00 175.76 176.41 1sr6 s ASP 543 N 1.41 5.54 -0.01 0.00 -1.08 -1.26 -4.96 116.67 116.31 1sr6 s ASP 543 Ca 0.07 0.04 -0.25 0.00 -0.52 0.00 0.00 52.55 51.89 1sr6 s ASP 543 Cb -0.15 -1.10 -0.19 0.00 -1.46 0.00 0.00 42.92 40.03 1sr6 s ASP 543 CO 0.08 -0.92 1.30 0.44 0.52 0.00 0.00 175.17 176.59 1sr6 h ASP 544 N 0.28 -0.05 0.10 -0.34 3.32 -1.98 -1.73 116.42 116.02 1sr6 h ASP 544 Ca -0.43 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1sr6 h ASP 544 Cb 1.28 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1sr6 h ASP 544 CO 0.53 0.37 0.00 0.29 -1.72 0.00 0.00 179.24 178.71 1sr6 n LYS 545 N -4.92 0.46 -0.07 3.56 5.02 -1.26 -0.95 118.16 119.99 1sr6 n LYS 545 Ca -0.08 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 1sr6 n LYS 545 Cb 0.23 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1sr6 n LYS 545 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sr6 h SER 546 N 0.00 0.00 -0.89 4.39 0.87 -1.78 -1.89 113.55 114.26 1sr6 h SER 546 Ca 0.00 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1sr6 h SER 546 Cb 0.05 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1sr6 h SER 546 CO 0.00 0.90 0.58 0.15 -0.53 0.00 0.00 176.83 177.93 1sr6 h PHE 547 N -1.00 1.05 0.42 2.24 3.57 -0.43 -1.80 116.94 120.99 1sr6 h PHE 547 Ca -0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1sr6 h PHE 547 Cb 0.70 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1sr6 h PHE 547 CO 0.12 0.59 -0.20 0.37 -2.23 0.00 0.00 178.31 176.96 1sr6 h GLN 548 N 1.07 -0.54 -0.55 1.11 4.15 -1.14 -0.24 115.11 118.96 1sr6 h GLN 548 Ca 0.36 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.93 1sr6 h GLN 548 Cb 0.09 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 27.80 1sr6 h GLN 548 CO -0.12 -0.26 -0.19 -0.44 -1.93 0.00 0.00 178.83 175.89 1sr6 h ASP 549 N -0.77 -0.69 -0.57 -0.69 5.19 -0.86 0.63 116.42 118.66 1sr6 h ASP 549 Ca -0.06 0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1sr6 h ASP 549 Cb 0.53 0.41 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 1sr6 h ASP 549 CO 0.09 -0.23 0.06 0.50 -3.12 0.00 0.00 179.24 176.54 1sr6 h LYS 550 N -0.06 0.97 0.47 3.56 1.63 -1.33 -2.37 116.57 119.44 1sr6 h LYS 550 Ca 0.26 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1sr6 h LYS 550 Cb 0.46 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1sr6 h LYS 550 CO -0.60 0.94 -0.34 -0.07 -3.45 0.00 0.00 179.45 175.94 1sr6 h LEU 551 N 0.86 -0.87 -0.29 5.20 3.38 0.35 -2.91 115.31 121.03 1sr6 h LEU 551 Ca 0.17 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1sr6 h LEU 551 Cb 0.47 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1sr6 h LEU 551 CO 0.02 -0.51 -0.14 1.88 0.09 0.00 0.00 178.44 179.78 1sr6 h TYR 552 N -0.79 -0.34 -0.76 1.13 -1.99 -0.93 -2.71 116.97 110.59 1sr6 h TYR 552 Ca -0.05 0.03 0.17 0.00 2.00 0.00 0.00 58.73 60.89 1sr6 h TYR 552 Cb 0.67 0.19 -0.12 0.00 2.00 0.00 0.00 36.73 39.47 1sr6 h TYR 552 CO -0.14 -0.21 0.16 1.96 -0.00 0.00 0.00 178.16 179.94 1sr6 h GLN 553 N -0.10 0.23 0.02 4.88 4.20 -1.31 0.73 115.11 123.76 1sr6 h GLN 553 Ca 0.15 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.61 1sr6 h GLN 553 Cb 0.32 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1sr6 h GLN 553 CO -0.35 0.15 -0.99 -0.91 -0.67 0.00 0.00 178.83 176.06 1sr6 h ASN 554 N 0.23 0.52 0.00 1.46 2.35 -1.29 -3.40 115.58 115.45 1sr6 h ASN 554 Ca 0.44 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sr6 h ASN 554 Cb 0.78 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1sr6 h ASN 554 CO -0.56 1.25 -0.90 1.41 -1.65 0.00 0.00 177.43 176.98 1sr6 n HIS 555 N -3.72 0.00 -2.06 1.19 8.25 -1.05 -4.82 115.22 113.01 1sr6 n HIS 555 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1sr6 n HIS 555 Cb 0.86 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 1sr6 n HIS 555 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1sr6 s MET 556 N -1.80 3.88 0.00 -0.41 -2.45 0.25 -1.38 119.30 117.39 1sr6 s MET 556 Ca 0.00 1.83 0.00 0.00 -1.25 0.00 0.00 55.69 56.27 1sr6 s MET 556 Cb 0.00 -4.03 0.00 0.00 1.25 0.00 0.00 34.83 32.05 1sr6 s MET 556 CO 0.00 -1.20 0.00 0.41 1.05 0.00 0.00 175.02 175.28 1sr6 n GLY 557 N 4.55 0.75 0.00 2.11 0.00 -1.26 -4.82 105.19 106.51 1sr6 n GLY 557 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1sr6 n GLY 557 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sr6 n LYS 558 N -2.17 1.74 -3.95 1.61 3.00 -0.75 -5.04 118.16 112.60 1sr6 n LYS 558 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1sr6 n LYS 558 Cb 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 35.03 33.99 1sr6 n LYS 558 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1sr6 s ASN 559 N -3.34 5.67 0.14 3.14 3.84 -0.48 -4.98 114.94 118.93 1sr6 s ASN 559 Ca 0.00 0.08 -0.05 0.00 0.21 0.00 0.00 52.86 53.09 1sr6 s ASN 559 Cb 0.00 -1.98 -0.07 0.00 -0.55 0.00 0.00 41.25 38.65 1sr6 s ASN 559 CO 0.00 0.16 1.34 -0.09 -2.79 0.00 0.00 177.10 175.71 1sr6 h ARG 560 N 6.83 0.49 0.00 0.43 1.12 -1.96 -2.94 114.38 118.35 1sr6 h ARG 560 Ca -0.37 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 58.03 1sr6 h ARG 560 Cb 1.17 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 1sr6 h ARG 560 CO 0.70 1.10 0.00 -1.33 -3.11 0.00 0.00 179.97 177.33 1sr6 n MET 561 N -3.81 0.59 -3.94 0.20 0.00 -1.26 -4.51 117.12 104.39 1sr6 n MET 561 Ca -0.06 0.03 -0.29 0.00 0.00 0.00 0.00 57.70 57.37 1sr6 n MET 561 Cb 0.78 -1.50 -0.16 0.00 0.00 0.00 0.00 33.22 32.34 1sr6 n MET 561 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1sr6 s PHE 562 N -2.21 2.10 0.08 2.03 5.36 -1.11 -1.70 117.98 122.54 1sr6 s PHE 562 Ca 0.30 -1.40 0.01 0.00 -0.96 0.00 0.00 56.93 54.88 1sr6 s PHE 562 Cb 0.16 -1.49 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 1sr6 s PHE 562 CO 0.30 -0.70 0.05 0.25 -1.46 0.00 0.00 175.22 173.66 1sr6 n THR 563 N 4.77 0.00 -3.76 0.12 -2.24 -0.90 -4.59 114.28 107.68 1sr6 n THR 563 Ca -0.13 -0.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 1sr6 n THR 563 Cb 0.47 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1sr6 n THR 563 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sr6 s LYS 564 N -2.33 3.51 0.22 -0.78 2.47 -1.26 -1.26 119.74 120.31 1sr6 s LYS 564 Ca 0.07 -0.37 -0.31 0.00 -1.56 0.00 0.00 55.97 53.80 1sr6 s LYS 564 Cb 0.00 -2.88 -0.15 0.00 -1.46 0.00 0.00 37.83 33.34 1sr6 s LYS 564 CO 0.05 0.45 1.08 -2.30 0.16 0.00 0.00 175.35 174.79 1sr6 n PRO 565 N -0.47 1.21 -0.37 4.03 -0.02 -1.26 -4.64 135.00 133.48 1sr6 n PRO 565 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1sr6 n PRO 565 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1sr6 n PRO 565 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sr6 n GLY 566 N 1.70 4.82 3.65 -1.23 0.00 -1.26 -5.05 105.19 107.81 1sr6 n GLY 566 Ca 0.13 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1sr6 n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sr6 s LYS 567 N 0.94 4.01 0.17 1.61 2.36 -1.26 -4.91 119.74 122.67 1sr6 s LYS 567 Ca 0.00 2.06 -0.31 0.00 -2.55 0.00 0.00 55.97 55.17 1sr6 s LYS 567 Cb 0.00 -4.03 -0.17 0.00 -1.05 0.00 0.00 37.83 32.58 1sr6 s LYS 567 CO 0.00 -1.05 0.80 -2.30 1.55 0.00 0.00 175.35 174.36 1sr6 n PRO 568 N 7.39 0.40 0.03 4.03 -0.02 -1.26 -4.93 135.00 140.64 1sr6 n PRO 568 Ca 0.19 0.14 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 1sr6 n PRO 568 Cb 0.43 -1.37 -0.14 0.00 -0.02 0.00 0.00 33.50 32.40 1sr6 n PRO 568 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sr6 h THR 569 N 1.80 0.75 -3.01 3.45 2.02 -2.01 -3.49 112.91 112.41 1sr6 h THR 569 Ca -0.37 -2.42 -0.44 0.00 0.77 0.00 0.00 66.41 63.96 1sr6 h THR 569 Cb 1.41 2.60 -0.14 0.00 -1.74 0.00 0.00 68.15 70.28 1sr6 h THR 569 CO 0.61 0.88 -0.65 -0.13 0.37 0.00 0.00 175.52 176.61 1sr6 s ARG 570 N -2.57 1.49 0.29 6.66 1.81 -1.26 -5.12 118.95 120.25 1sr6 s ARG 570 Ca -0.19 -1.78 -0.29 0.00 -1.72 0.00 0.00 55.73 51.75 1sr6 s ARG 570 Cb 0.06 -0.83 -0.10 0.00 -0.45 0.00 0.00 34.95 33.63 1sr6 s ARG 570 CO 0.80 -0.09 1.41 -2.14 -0.68 0.00 0.00 175.30 174.60 1sr6 s PRO 571 N -3.84 4.27 0.00 3.54 0.02 -1.26 -3.28 135.00 134.45 1sr6 s PRO 571 Ca 0.31 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1sr6 s PRO 571 Cb 0.06 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1sr6 s PRO 571 CO 0.12 -0.37 0.00 -1.71 -0.33 0.00 0.00 177.00 174.70 1sr6 n ASN 572 N 1.61 -2.49 -4.75 2.53 4.05 -1.26 -5.02 115.26 109.94 1sr6 n ASN 572 Ca 0.04 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.67 1sr6 n ASN 572 Cb 0.40 -0.48 0.02 0.00 1.23 0.00 0.00 39.78 40.96 1sr6 n ASN 572 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sr6 n GLN 573 N -2.58 2.14 -1.23 1.20 6.02 -1.21 -4.77 117.38 116.95 1sr6 n GLN 573 Ca 0.00 0.76 -0.06 0.00 -0.01 0.00 0.00 57.00 57.69 1sr6 n GLN 573 Cb 0.09 -2.56 0.03 0.00 1.02 0.00 0.00 30.24 28.82 1sr6 n GLN 573 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sr6 n GLY 574 N 0.65 0.97 2.99 1.08 0.00 0.11 -4.99 105.19 106.00 1sr6 n GLY 574 Ca 0.06 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 1sr6 n GLY 574 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sr6 n PRO 575 N -1.48 -3.40 -3.65 1.61 -0.02 -1.26 -4.92 135.00 121.89 1sr6 n PRO 575 Ca 0.05 -1.12 -0.03 0.00 -2.02 0.00 0.00 63.50 60.38 1sr6 n PRO 575 Cb 0.16 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1sr6 n PRO 575 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sr6 s ALA 576 N -2.08 -2.31 -0.06 3.55 0.00 -1.26 -4.70 121.76 114.90 1sr6 s ALA 576 Ca 0.51 1.88 0.16 0.00 0.00 0.00 0.00 51.96 54.52 1sr6 s ALA 576 Cb -0.09 -1.76 -0.25 0.00 0.00 0.00 0.00 23.12 21.02 1sr6 s ALA 576 CO 0.43 -0.22 0.30 0.72 0.00 0.00 0.00 175.76 176.99 1sr6 n HIS 577 N 2.43 0.00 -3.50 0.00 8.25 0.58 -4.83 115.22 118.14 1sr6 n HIS 577 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.23 1sr6 n HIS 577 Cb 0.57 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1sr6 n HIS 577 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1sr6 s PHE 578 N -2.99 -0.39 0.02 4.41 -0.12 -1.15 -4.66 117.98 113.11 1sr6 s PHE 578 Ca -0.07 0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1sr6 s PHE 578 Cb 0.09 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1sr6 s PHE 578 CO 0.70 -0.57 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.99 1sr6 s GLU 579 N -2.92 2.38 -0.12 1.99 2.02 -0.39 -0.86 118.70 120.80 1sr6 s GLU 579 Ca 0.03 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1sr6 s GLU 579 Cb -0.01 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.85 1sr6 s GLU 579 CO -0.08 0.58 -0.15 -1.17 0.02 0.00 0.00 175.26 174.46 1sr6 s LEU 580 N -1.47 1.70 -1.04 1.80 2.96 -0.72 -2.11 118.68 119.80 1sr6 s LEU 580 Ca 0.17 -0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 1sr6 s LEU 580 Cb -0.11 -1.13 0.05 0.00 0.50 0.00 0.00 46.19 45.50 1sr6 s LEU 580 CO 0.07 -0.02 1.48 -2.28 -1.32 0.00 0.00 176.35 174.29 1sr6 s HIS 581 N 1.20 2.53 0.69 5.38 5.65 -0.69 -0.47 115.29 129.59 1sr6 s HIS 581 Ca -0.02 -0.87 -0.08 0.00 0.25 0.00 0.00 55.06 54.35 1sr6 s HIS 581 Cb -0.14 -4.69 0.04 0.00 -1.18 0.00 0.00 32.58 26.61 1sr6 s HIS 581 CO -0.05 -1.93 1.02 -1.01 -0.65 0.00 0.00 174.74 172.13 1sr6 s HIS 582 N 5.03 3.07 0.49 3.88 3.76 0.43 -4.83 115.29 127.12 1sr6 s HIS 582 Ca 0.47 0.64 0.33 0.00 -0.15 0.00 0.00 55.06 56.35 1sr6 s HIS 582 Cb 0.00 -3.11 1.80 0.00 1.11 0.00 0.00 32.58 32.38 1sr6 s HIS 582 CO -0.08 -1.28 2.19 0.10 -0.85 0.00 0.00 174.74 174.81 1sr6 h TYR 583 N -0.57 0.00 -0.01 1.40 -0.00 -1.93 -0.91 116.97 114.95 1sr6 h TYR 583 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1sr6 h TYR 583 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1sr6 h TYR 583 CO 0.39 0.05 -0.29 0.00 -0.00 0.00 0.00 178.16 178.31 1sr6 n ALA 584 N -2.22 3.14 0.00 0.10 0.00 -1.26 -5.03 120.51 115.24 1sr6 n ALA 584 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1sr6 n ALA 584 Cb 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1sr6 n ALA 584 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sr6 n GLY 585 N 1.36 2.21 3.53 0.00 0.00 -0.35 -4.81 105.19 107.13 1sr6 n GLY 585 Ca 0.11 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1sr6 n GLY 585 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sr6 s ASN 586 N 0.00 6.37 -0.28 1.61 -0.87 -1.26 -0.42 114.94 120.09 1sr6 s ASN 586 Ca 0.00 -0.25 -0.18 0.00 -1.57 0.00 0.00 52.86 50.86 1sr6 s ASN 586 Cb 0.00 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1sr6 s ASN 586 CO 0.00 -0.98 0.53 -0.69 -2.57 0.00 0.00 177.10 173.39 1sr6 s VAL 587 N 3.36 5.04 -0.13 1.60 1.01 0.38 -4.76 120.40 126.89 1sr6 s VAL 587 Ca 0.28 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1sr6 s VAL 587 Cb -0.13 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1sr6 s VAL 587 CO 0.21 0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.61 1sr6 s PRO 588 N 2.37 4.32 0.12 2.72 0.02 -1.26 -1.76 135.00 141.53 1sr6 s PRO 588 Ca 0.21 1.53 0.07 0.00 0.02 0.00 0.00 61.00 62.84 1sr6 s PRO 588 Cb -0.15 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 1sr6 s PRO 588 CO 0.10 -0.51 -0.08 0.71 -0.33 0.00 0.00 177.00 176.89 1sr6 s TYR 589 N 2.65 2.77 -0.23 6.54 2.02 -0.04 -4.04 117.35 127.02 1sr6 s TYR 589 Ca 0.51 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.07 1sr6 s TYR 589 Cb -0.20 -1.43 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1sr6 s TYR 589 CO 0.16 0.45 -0.12 0.45 -1.57 0.00 0.00 175.55 174.92 1sr6 s SER 590 N -2.34 4.04 -0.02 2.29 0.15 -0.45 -0.31 113.70 117.07 1sr6 s SER 590 Ca 0.23 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.88 1sr6 s SER 590 Cb -0.11 -1.57 0.08 0.00 -1.71 0.00 0.00 66.02 62.71 1sr6 s SER 590 CO 0.15 -0.12 0.79 2.30 1.20 0.00 0.00 173.24 177.56 1sr6 n ILE 591 N 4.57 0.23 -2.14 6.45 -6.64 -1.26 -4.46 119.36 116.10 1sr6 n ILE 591 Ca -0.17 -0.13 -0.43 0.00 -1.77 0.00 0.00 62.75 60.25 1sr6 n ILE 591 Cb 0.46 -0.28 -0.03 0.00 -1.44 0.00 0.00 39.64 38.36 1sr6 n ILE 591 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1sr6 s THR 592 N -1.46 3.77 0.00 7.28 2.01 -1.26 -2.61 115.64 123.37 1sr6 s THR 592 Ca 0.06 0.90 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1sr6 s THR 592 Cb 0.04 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1sr6 s THR 592 CO 0.02 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 1sr6 n GLY 593 N 4.31 0.98 0.36 4.40 0.00 -1.26 -4.94 105.19 109.04 1sr6 n GLY 593 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1sr6 n GLY 593 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sr6 h TRP 594 N 0.00 1.05 -0.50 1.61 4.06 -1.84 0.11 115.95 120.43 1sr6 h TRP 594 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1sr6 h TRP 594 Cb 0.00 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 27.82 1sr6 h TRP 594 CO 0.00 0.25 0.33 -0.07 -3.56 0.00 0.00 178.44 175.39 1sr6 h LEU 595 N 0.76 0.58 -0.44 -4.49 4.07 -1.92 0.59 115.31 114.46 1sr6 h LEU 595 Ca 0.57 -0.02 -0.18 0.00 0.08 0.00 0.00 57.88 58.33 1sr6 h LEU 595 Cb 0.89 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 1sr6 h LEU 595 CO -0.36 0.43 -0.65 1.05 -1.08 0.00 0.00 178.44 177.82 1sr6 h GLU 596 N 0.68 0.50 0.00 1.13 4.11 -1.43 -3.09 114.58 116.48 1sr6 h GLU 596 Ca 0.18 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1sr6 h GLU 596 Cb -0.07 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1sr6 h GLU 596 CO -0.04 0.98 0.00 0.87 0.07 0.00 0.00 179.01 180.89 1sr6 h LYS 597 N 0.36 0.00 0.00 1.06 1.57 -0.42 -3.32 116.57 115.82 1sr6 h LYS 597 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1sr6 h LYS 597 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1sr6 h LYS 597 CO 0.12 0.00 -0.35 -0.97 -0.57 0.00 0.00 179.45 177.68 1sr6 h ASN 598 N 0.00 0.00 -3.16 0.86 -0.00 -0.81 -3.46 115.58 109.01 1sr6 h ASN 598 Ca 0.00 -0.50 -0.57 0.00 -0.00 0.00 0.00 56.30 55.23 1sr6 h ASN 598 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.88 1sr6 h ASN 598 CO 0.00 0.95 -0.28 -1.59 -0.00 0.00 0.00 177.43 176.51 1sr6 s LYS 599 N -2.09 3.63 -0.83 6.67 -2.85 -1.20 -1.77 119.74 121.30 1sr6 s LYS 599 Ca -0.16 -0.08 -0.11 0.00 -1.00 0.00 0.00 55.97 54.63 1sr6 s LYS 599 Cb 0.00 -2.81 0.22 0.00 -2.06 0.00 0.00 37.83 33.18 1sr6 s LYS 599 CO 0.43 0.43 0.75 0.34 0.10 0.00 0.00 175.35 177.40 1sr6 s ASP 600 N -2.56 6.50 -0.09 0.03 2.15 -1.26 -4.80 116.67 116.64 1sr6 s ASP 600 Ca 0.42 -2.89 -0.36 0.00 0.43 0.00 0.00 52.55 50.14 1sr6 s ASP 600 Cb -0.12 -2.13 -0.14 0.00 -0.30 0.00 0.00 42.92 40.24 1sr6 s ASP 600 CO 0.25 -0.48 1.71 -2.65 -0.17 0.00 0.00 175.17 173.84 1sr6 n PRO 601 N 3.63 1.69 -3.57 4.34 -0.02 -1.26 -4.89 135.00 134.92 1sr6 n PRO 601 Ca 0.14 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1sr6 n PRO 601 Cb 0.44 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1sr6 n PRO 601 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1sr6 s ILE 602 N 2.89 -0.42 -0.81 4.25 -1.16 -1.26 -4.72 121.20 119.96 1sr6 s ILE 602 Ca 0.91 0.12 -0.19 0.00 -0.51 0.00 0.00 60.65 60.98 1sr6 s ILE 602 Cb -0.85 -0.56 -0.21 0.00 0.61 0.00 0.00 42.46 41.44 1sr6 s ILE 602 CO 0.53 -0.01 2.04 0.59 -2.81 0.00 0.00 174.94 175.29 1sr6 n ASN 603 N 5.35 -0.25 -0.13 4.50 4.13 -1.26 -4.66 115.26 122.93 1sr6 n ASN 603 Ca -0.06 -0.05 0.26 0.00 1.68 0.00 0.00 54.58 56.41 1sr6 n ASN 603 Cb 0.50 -0.64 0.70 0.00 -1.54 0.00 0.00 39.78 38.80 1sr6 n ASN 603 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1sr6 h GLU 604 N 9.47 0.03 0.16 3.52 3.07 -1.98 0.29 114.58 129.14 1sr6 h GLU 604 Ca -0.02 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1sr6 h GLU 604 Cb 1.01 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1sr6 h GLU 604 CO 1.20 0.02 -0.08 -0.97 -1.40 0.00 0.00 179.01 177.78 1sr6 h ASN 605 N 0.03 -0.18 -0.81 1.42 -0.73 -1.83 -2.59 115.58 110.88 1sr6 h ASN 605 Ca 0.38 -0.36 0.13 0.00 1.87 0.00 0.00 56.30 58.32 1sr6 h ASN 605 Cb 1.48 0.05 -0.09 0.00 0.27 0.00 0.00 38.32 40.03 1sr6 h ASN 605 CO -0.02 0.36 0.41 0.58 -0.37 0.00 0.00 177.43 178.40 1sr6 h VAL 606 N -0.83 0.76 -0.17 2.57 2.07 -1.04 -1.41 116.25 118.21 1sr6 h VAL 606 Ca -0.02 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1sr6 h VAL 606 Cb 0.53 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1sr6 h VAL 606 CO 0.04 0.11 -0.15 0.58 0.02 0.00 0.00 177.57 178.17 1sr6 h VAL 607 N 0.62 0.60 -0.58 2.57 2.07 -0.60 -1.84 116.25 119.08 1sr6 h VAL 607 Ca 0.43 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.05 1sr6 h VAL 607 Cb 0.57 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1sr6 h VAL 607 CO -0.34 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.41 1sr6 h ALA 608 N 0.93 0.71 -0.11 1.67 0.00 -0.86 0.56 119.26 122.17 1sr6 h ALA 608 Ca 0.11 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1sr6 h ALA 608 Cb 0.32 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1sr6 h ALA 608 CO -0.26 -0.26 -0.08 -0.07 0.00 0.00 0.00 179.25 178.57 1sr6 h LEU 609 N 0.31 -0.25 -1.20 0.00 3.38 -0.86 -1.11 115.31 115.58 1sr6 h LEU 609 Ca 0.30 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1sr6 h LEU 609 Cb 0.41 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1sr6 h LEU 609 CO -0.35 -0.11 -0.26 -0.07 0.09 0.00 0.00 178.44 177.74 1sr6 h LEU 610 N -0.09 0.22 -1.62 1.67 3.38 -0.69 -0.69 115.31 117.48 1sr6 h LEU 610 Ca 0.07 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1sr6 h LEU 610 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1sr6 h LEU 610 CO -0.16 0.49 0.37 1.23 0.09 0.00 0.00 178.44 180.46 1sr6 h GLY 611 N 0.97 0.59 -3.02 0.83 0.00 0.13 0.66 103.07 103.23 1sr6 h GLY 611 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1sr6 h GLY 611 CO 0.04 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.71 1sr6 n ALA 612 N -2.51 3.38 -0.55 3.60 0.00 -0.33 -4.77 120.51 119.34 1sr6 n ALA 612 Ca 0.08 -1.54 -0.30 0.00 0.00 0.00 0.00 53.44 51.69 1sr6 n ALA 612 Cb 0.30 -1.07 0.23 0.00 0.00 0.00 0.00 19.45 18.90 1sr6 n ALA 612 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sr6 n SER 613 N 0.77 -1.95 -0.02 0.00 2.88 0.23 -4.96 113.62 110.57 1sr6 n SER 613 Ca 0.24 -0.13 0.07 0.00 -1.33 0.00 0.00 58.87 57.71 1sr6 n SER 613 Cb 0.94 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 63.09 1sr6 n SER 613 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sr6 n LYS 614 N -3.90 0.67 -2.46 -1.46 5.02 -0.83 -4.73 118.16 110.48 1sr6 n LYS 614 Ca 0.02 -0.15 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1sr6 n LYS 614 Cb 0.57 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 1sr6 n LYS 614 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sr6 s GLU 615 N -3.21 4.28 0.27 1.97 8.01 -1.26 -4.93 118.70 123.82 1sr6 s GLU 615 Ca -0.08 1.64 -0.01 0.00 0.01 0.00 0.00 54.97 56.54 1sr6 s GLU 615 Cb 0.11 -3.68 0.59 0.00 -4.31 0.00 0.00 34.13 26.85 1sr6 s GLU 615 CO 0.81 -0.61 1.68 -1.35 0.01 0.00 0.00 175.26 175.81 1sr6 h PRO 616 N 7.88 0.29 -0.32 0.39 0.11 -1.98 0.23 132.00 138.60 1sr6 h PRO 616 Ca -0.29 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1sr6 h PRO 616 Cb 1.12 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1sr6 h PRO 616 CO 0.94 0.19 0.05 1.25 -0.21 0.00 0.00 178.00 180.22 1sr6 h LEU 617 N 0.30 0.51 -0.90 2.35 5.85 -1.94 -1.52 115.31 119.94 1sr6 h LEU 617 Ca 0.49 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1sr6 h LEU 617 Cb 0.90 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1sr6 h LEU 617 CO -0.55 0.64 0.24 0.58 -0.34 0.00 0.00 178.44 179.01 1sr6 h VAL 618 N 0.36 1.25 0.03 1.05 2.07 -1.69 0.74 116.25 120.06 1sr6 h VAL 618 Ca 0.10 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1sr6 h VAL 618 Cb 0.35 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1sr6 h VAL 618 CO 0.01 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 1sr6 h ALA 619 N 1.25 -0.04 -0.26 1.67 0.00 -0.81 -2.26 119.26 118.81 1sr6 h ALA 619 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1sr6 h ALA 619 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sr6 h ALA 619 CO -0.01 -0.44 0.01 1.49 0.00 0.00 0.00 179.25 180.30 1sr6 h GLU 620 N -0.20 0.38 0.00 0.00 4.81 -1.07 -2.30 114.58 116.19 1sr6 h GLU 620 Ca -0.00 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1sr6 h GLU 620 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1sr6 h GLU 620 CO 0.01 0.40 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.18 1sr6 h LEU 621 N 0.37 0.00 -4.31 1.64 3.38 -0.56 -3.22 115.31 112.62 1sr6 h LEU 621 Ca 0.09 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.50 1sr6 h LEU 621 Cb 0.23 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.56 1sr6 h LEU 621 CO 0.00 0.43 -0.79 0.49 0.09 0.00 0.00 178.44 178.66 1sr6 n PHE 622 N -3.92 3.05 -3.48 1.13 3.01 -0.88 -4.98 117.46 111.39 1sr6 n PHE 622 Ca -0.01 -2.79 -0.37 0.00 1.01 0.00 0.00 57.45 55.29 1sr6 n PHE 622 Cb 0.47 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.69 1sr6 n PHE 622 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1sr6 s LYS 623 N -3.55 4.15 0.47 -1.08 -2.85 -0.98 -3.98 119.74 111.92 1sr6 s LYS 623 Ca 0.48 0.28 -0.16 0.00 -1.00 0.00 0.00 55.97 55.56 1sr6 s LYS 623 Cb 0.40 -3.36 -0.08 0.00 -2.06 0.00 0.00 37.83 32.73 1sr6 s LYS 623 CO -0.10 0.37 0.93 0.00 0.10 0.00 0.00 175.35 176.65 1sr6 s ALA 624 N 0.01 3.12 0.20 0.59 0.00 -1.26 -5.08 121.76 119.33 1sr6 s ALA 624 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1sr6 s ALA 624 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1sr6 s ALA 624 CO 0.08 -0.10 0.00 -0.35 0.00 0.00 0.00 175.76 175.40 1sr6 n PRO 625 N -1.29 3.19 0.00 0.00 -0.04 -1.26 -5.24 135.00 130.36 1sr6 n PRO 625 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1sr6 n PRO 625 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1sr6 n PRO 625 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sr6 n GLU 626 N 0.00 2.74 0.00 0.54 1.02 -1.26 -5.32 120.64 118.35 1sr6 n GLU 626 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sr6 n GLU 626 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1sr6 n GLU 626 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sr6 n GLN 643 N -0.39 0.00 -1.51 3.49 3.00 -1.26 -5.36 117.38 115.35 1sr6 n GLN 643 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.53 1sr6 n GLN 643 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 1sr6 n GLN 643 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1sr6 n THR 644 N -2.13 1.99 -0.13 5.09 5.66 -1.26 -4.72 114.28 118.77 1sr6 n THR 644 Ca 0.00 -0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 60.43 1sr6 n THR 644 Cb 0.00 -0.60 -0.01 0.00 -1.55 0.00 0.00 70.33 68.17 1sr6 n THR 644 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1sr6 h ILE 645 N 1.55 0.23 -0.66 1.09 2.04 -1.67 -1.43 117.51 118.66 1sr6 h ILE 645 Ca -0.35 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1sr6 h ILE 645 Cb 1.38 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1sr6 h ILE 645 CO 0.59 0.00 0.44 0.77 0.00 0.00 0.00 178.15 179.94 1sr6 h SER 646 N -0.24 0.48 1.30 1.72 4.64 -1.90 -0.18 113.55 119.37 1sr6 h SER 646 Ca 0.18 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1sr6 h SER 646 Cb 0.54 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1sr6 h SER 646 CO -0.55 0.30 -0.44 0.00 -0.87 0.00 0.00 176.83 175.26 1sr6 h ALA 647 N 1.66 0.78 0.06 5.18 0.00 -1.65 -2.48 119.26 122.82 1sr6 h ALA 647 Ca 0.30 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1sr6 h ALA 647 Cb 0.46 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sr6 h ALA 647 CO -0.09 0.55 -0.54 0.28 0.00 0.00 0.00 179.25 179.45 1sr6 h VAL 648 N 0.00 1.54 -0.31 0.00 2.07 -0.14 -3.11 116.25 116.31 1sr6 h VAL 648 Ca -0.00 -2.27 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 1sr6 h VAL 648 Cb 1.21 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1sr6 h VAL 648 CO 0.06 0.64 -0.07 -0.74 0.02 0.00 0.00 177.57 177.47 1sr6 h HIS 649 N -0.41 0.66 -0.34 1.57 6.17 -1.19 -1.21 115.15 120.39 1sr6 h HIS 649 Ca -0.08 -0.14 0.03 0.00 0.71 0.00 0.00 60.37 60.89 1sr6 h HIS 649 Cb 1.34 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 31.09 1sr6 h HIS 649 CO 0.19 0.77 0.23 -0.09 0.71 0.00 0.00 177.93 179.74 1sr6 h ARG 650 N 0.36 0.33 0.12 5.26 2.43 -1.58 0.61 114.38 121.92 1sr6 h ARG 650 Ca 0.08 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.96 1sr6 h ARG 650 Cb 0.56 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1sr6 h ARG 650 CO 0.03 0.22 -1.14 1.49 -1.51 0.00 0.00 179.97 179.06 1sr6 h GLU 651 N 0.34 0.55 0.00 0.20 4.57 -1.42 -2.46 114.58 116.36 1sr6 h GLU 651 Ca 0.14 -0.76 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 1sr6 h GLU 651 Cb 0.14 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1sr6 h GLU 651 CO -0.03 1.34 0.00 -1.13 -1.18 0.00 0.00 179.01 178.01 1sr6 n SER 652 N -3.88 0.59 0.06 1.04 3.41 -0.48 -2.72 113.62 111.64 1sr6 n SER 652 Ca -0.14 0.58 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 1sr6 n SER 652 Cb 0.94 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 64.02 1sr6 n SER 652 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1sr6 h LEU 653 N 0.00 0.40 -1.06 1.04 6.46 0.24 -2.64 115.31 119.75 1sr6 h LEU 653 Ca 0.00 -0.58 -0.06 0.00 -0.12 0.00 0.00 57.88 57.11 1sr6 h LEU 653 Cb 0.60 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1sr6 h LEU 653 CO 0.00 1.49 -0.03 0.78 -0.62 0.00 0.00 178.44 180.06 1sr6 h ASN 654 N 0.07 0.60 0.19 1.25 2.35 -1.30 0.53 115.58 119.27 1sr6 h ASN 654 Ca -0.26 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1sr6 h ASN 654 Cb 2.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1sr6 h ASN 654 CO 0.16 0.69 -0.09 0.50 -1.65 0.00 0.00 177.43 177.04 1sr6 h LYS 655 N 0.59 -0.24 -0.33 0.81 3.64 -1.57 0.70 116.57 120.17 1sr6 h LYS 655 Ca 0.12 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1sr6 h LYS 655 Cb 0.42 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1sr6 h LYS 655 CO 0.02 0.08 -0.27 1.25 -2.27 0.00 0.00 179.45 178.26 1sr6 h LEU 656 N -0.58 -0.87 -0.47 5.20 5.85 -1.11 -0.50 115.31 122.83 1sr6 h LEU 656 Ca -0.03 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1sr6 h LEU 656 Cb 0.43 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1sr6 h LEU 656 CO 0.04 -0.29 0.21 0.24 -0.34 0.00 0.00 178.44 178.30 1sr6 h MET 657 N -0.23 0.69 -0.89 1.25 2.86 -0.84 0.78 114.93 118.54 1sr6 h MET 657 Ca 0.16 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1sr6 h MET 657 Cb 0.49 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1sr6 h MET 657 CO -0.46 0.60 0.58 -0.22 1.06 0.00 0.00 176.91 178.47 1sr6 h LYS 658 N 0.62 0.97 0.32 1.72 3.64 -0.34 0.20 116.57 123.70 1sr6 h LYS 658 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1sr6 h LYS 658 Cb 0.15 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sr6 h LYS 658 CO -0.02 0.64 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.74 1sr6 h ASN 659 N 1.00 -0.37 -0.51 4.20 2.35 -0.40 -3.23 115.58 118.61 1sr6 h ASN 659 Ca 0.39 -0.16 0.10 0.00 -0.55 0.00 0.00 56.30 56.07 1sr6 h ASN 659 Cb 0.23 0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1sr6 h ASN 659 CO -0.15 -0.00 0.03 -0.07 -1.65 0.00 0.00 177.43 175.59 1sr6 h LEU 660 N -0.77 -0.15 0.00 1.61 3.38 -0.27 0.41 115.31 119.52 1sr6 h LEU 660 Ca -0.04 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sr6 h LEU 660 Cb 0.51 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1sr6 h LEU 660 CO 0.07 -0.05 0.00 -1.22 0.09 0.00 0.00 178.44 177.34 1sr6 n TYR 661 N -5.20 0.00 -1.17 1.13 4.01 0.00 -0.99 117.16 114.95 1sr6 n TYR 661 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 1sr6 n TYR 661 Cb 0.28 -0.32 0.23 0.00 -0.31 0.00 0.00 39.34 39.22 1sr6 n TYR 661 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1sr6 n SER 662 N -1.32 3.33 -4.18 7.72 3.41 0.13 -4.99 113.62 117.72 1sr6 n SER 662 Ca 0.02 -3.32 -0.22 0.00 -0.26 0.00 0.00 58.87 55.08 1sr6 n SER 662 Cb 0.04 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.31 1sr6 n SER 662 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sr6 s THR 663 N -3.01 0.67 -0.37 6.66 -4.23 -0.16 -4.53 115.64 110.68 1sr6 s THR 663 Ca 0.44 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 1sr6 s THR 663 Cb 0.37 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1sr6 s THR 663 CO 0.05 0.00 0.23 -2.28 -0.54 0.00 0.00 174.62 172.08 1sr6 s HIS 664 N -3.37 3.23 0.88 3.99 2.46 -0.05 -4.89 115.29 117.54 1sr6 s HIS 664 Ca 0.31 -0.66 -0.11 0.00 0.47 0.00 0.00 55.06 55.07 1sr6 s HIS 664 Cb 0.05 -2.47 0.12 0.00 -0.13 0.00 0.00 32.58 30.15 1sr6 s HIS 664 CO 0.15 -0.55 1.10 -2.14 -2.47 0.00 0.00 174.74 170.84 1sr6 s PRO 665 N 1.63 1.37 -0.21 2.88 0.02 -1.26 -1.30 135.00 138.13 1sr6 s PRO 665 Ca 0.04 1.19 -0.25 0.00 0.02 0.00 0.00 61.00 62.01 1sr6 s PRO 665 Cb -0.18 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.61 1sr6 s PRO 665 CO 0.08 -2.27 0.67 -1.01 -0.33 0.00 0.00 177.00 174.14 1sr6 s HIS 666 N -2.79 -0.71 -0.06 6.54 3.76 -0.14 -4.82 115.29 117.06 1sr6 s HIS 666 Ca 0.64 1.65 0.02 0.00 -0.15 0.00 0.00 55.06 57.23 1sr6 s HIS 666 Cb -0.20 0.28 0.01 0.00 1.11 0.00 0.00 32.58 33.78 1sr6 s HIS 666 CO 0.58 -0.40 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.89 1sr6 s PHE 667 N 0.04 1.40 -0.24 1.40 0.40 -1.26 -0.66 117.98 119.06 1sr6 s PHE 667 Ca -0.02 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1sr6 s PHE 667 Cb -0.04 -1.03 0.06 0.00 0.51 0.00 0.00 43.02 42.51 1sr6 s PHE 667 CO 0.03 -0.26 -0.11 0.08 0.70 0.00 0.00 175.22 175.66 1sr6 s VAL 668 N 0.65 2.00 -0.55 -0.44 1.01 0.20 -1.79 120.40 121.48 1sr6 s VAL 668 Ca -0.14 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 1sr6 s VAL 668 Cb -0.15 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.23 1sr6 s VAL 668 CO 0.03 0.01 0.55 -0.13 0.00 0.00 0.00 175.10 175.57 1sr6 s ARG 669 N 1.19 3.00 0.21 2.72 1.81 -0.78 -1.83 118.95 125.28 1sr6 s ARG 669 Ca -0.07 -1.59 -0.30 0.00 -1.72 0.00 0.00 55.73 52.05 1sr6 s ARG 669 Cb -0.19 -4.28 -0.08 0.00 -0.45 0.00 0.00 34.95 29.95 1sr6 s ARG 669 CO -0.06 -1.37 0.94 0.00 -0.68 0.00 0.00 175.30 174.13 1sr6 s ILE 671 N -0.90 0.42 -0.34 0.00 1.01 0.18 -4.32 121.20 117.25 1sr6 s ILE 671 Ca 0.42 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1sr6 s ILE 671 Cb -0.25 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 1sr6 s ILE 671 CO 0.31 0.15 0.25 -0.51 0.00 0.00 0.00 174.94 175.15 1sr6 s ILE 672 N 0.31 5.28 0.28 2.92 2.07 -1.26 -2.08 121.20 128.71 1sr6 s ILE 672 Ca -0.03 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 1sr6 s ILE 672 Cb -0.07 -3.72 0.05 0.00 0.13 0.00 0.00 42.46 38.86 1sr6 s ILE 672 CO -0.00 -0.01 1.71 1.55 -1.91 0.00 0.00 174.94 176.28 1sr6 h PRO 673 N 8.48 0.41 -3.36 3.50 0.13 -1.85 -3.42 132.00 135.89 1sr6 h PRO 673 Ca -0.31 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sr6 h PRO 673 Cb 1.16 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 1sr6 h PRO 673 CO 0.64 0.68 0.02 0.54 -0.23 0.00 0.00 178.00 179.64 1sr6 s ASN 674 N -6.84 -0.20 -0.09 1.44 2.20 -1.26 -1.20 114.94 108.99 1sr6 s ASN 674 Ca -0.06 -0.66 0.08 0.00 -0.94 0.00 0.00 52.86 51.29 1sr6 s ASN 674 Cb 0.14 0.61 0.39 0.00 -2.00 0.00 0.00 41.25 40.39 1sr6 s ASN 674 CO 0.79 -1.14 1.17 -0.62 -2.94 0.00 0.00 177.10 174.36 1sr6 n GLU 675 N -0.38 2.66 0.00 3.55 -0.58 -1.26 -4.05 120.64 120.58 1sr6 n GLU 675 Ca -0.06 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.15 1sr6 n GLU 675 Cb 0.62 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1sr6 n GLU 675 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sr6 n LEU 676 N 0.40 0.80 -1.20 -4.62 4.77 -1.26 -4.99 117.00 110.90 1sr6 n LEU 676 Ca 0.14 -0.88 -0.16 0.00 -0.03 0.00 0.00 56.01 55.08 1sr6 n LEU 676 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1sr6 n LEU 676 CO 0.14 0.20 -0.15 0.29 -1.33 0.00 0.00 177.39 176.54 1sr6 n LYS 677 N -0.16 -1.27 -3.02 3.23 5.02 -1.26 -4.97 118.16 115.73 1sr6 n LYS 677 Ca 0.00 1.04 -0.40 0.00 -2.02 0.00 0.00 58.31 56.93 1sr6 n LYS 677 Cb 0.01 -5.29 -0.05 0.00 -0.02 0.00 0.00 35.03 29.68 1sr6 n LYS 677 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1sr6 s GLN 678 N -3.29 4.31 0.53 1.97 -0.21 -1.26 -4.84 119.66 116.87 1sr6 s GLN 678 Ca 0.00 0.83 -0.21 0.00 0.02 0.00 0.00 55.36 56.00 1sr6 s GLN 678 Cb 0.00 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 1sr6 s GLN 678 CO 0.00 -0.17 1.21 -2.14 -2.12 0.00 0.00 175.29 172.08 1sr6 s PRO 679 N 1.62 3.33 0.00 2.91 0.02 -1.26 -3.12 135.00 138.50 1sr6 s PRO 679 Ca 0.35 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1sr6 s PRO 679 Cb -0.17 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1sr6 s PRO 679 CO 0.13 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1sr6 n GLY 680 N 0.49 2.12 3.64 0.52 0.00 -1.26 -4.97 105.19 105.72 1sr6 n GLY 680 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1sr6 n GLY 680 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sr6 s LEU 681 N 0.00 4.10 -0.11 0.99 2.96 -1.18 -4.71 118.68 120.71 1sr6 s LEU 681 Ca 0.00 0.89 -0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1sr6 s LEU 681 Cb 0.00 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1sr6 s LEU 681 CO 0.00 -0.40 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.84 1sr6 s VAL 682 N 2.45 3.39 -0.36 1.68 1.01 -1.26 -4.16 120.40 123.15 1sr6 s VAL 682 Ca 0.31 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1sr6 s VAL 682 Cb -0.16 -2.42 0.10 0.00 0.00 0.00 0.00 36.38 33.90 1sr6 s VAL 682 CO 0.09 0.54 0.09 -0.62 0.00 0.00 0.00 175.10 175.20 1sr6 s ASP 683 N -0.01 4.95 0.14 3.32 2.15 -0.34 -5.01 116.67 121.87 1sr6 s ASP 683 Ca -0.02 -1.96 -0.30 0.00 0.43 0.00 0.00 52.55 50.70 1sr6 s ASP 683 Cb -0.14 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 40.72 1sr6 s ASP 683 CO 0.03 -0.42 1.57 0.00 -0.17 0.00 0.00 175.17 176.18 1sr6 h ALA 684 N 7.83 -0.60 -0.15 3.66 0.00 -1.85 -0.22 119.26 127.93 1sr6 h ALA 684 Ca -0.10 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sr6 h ALA 684 Cb 1.04 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1sr6 h ALA 684 CO 0.59 -0.95 0.38 1.49 0.00 0.00 0.00 179.25 180.76 1sr6 h GLU 685 N -0.40 0.00 0.00 0.00 4.81 -1.90 0.14 114.58 117.24 1sr6 h GLU 685 Ca 0.10 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1sr6 h GLU 685 Cb 0.61 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1sr6 h GLU 685 CO -0.55 0.00 -1.00 1.25 -0.73 0.00 0.00 179.01 177.98 1sr6 h LEU 686 N 0.00 0.00 -0.48 1.64 5.85 -1.45 -3.18 115.31 117.69 1sr6 h LEU 686 Ca 0.07 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1sr6 h LEU 686 Cb 0.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1sr6 h LEU 686 CO -0.00 1.33 0.26 0.58 -0.34 0.00 0.00 178.44 180.26 1sr6 h VAL 687 N -1.00 1.17 -0.80 1.05 2.07 -0.33 -1.49 116.25 116.92 1sr6 h VAL 687 Ca -0.26 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1sr6 h VAL 687 Cb 1.15 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1sr6 h VAL 687 CO -0.16 0.18 0.50 -0.07 0.02 0.00 0.00 177.57 178.05 1sr6 h LEU 688 N 0.63 0.81 0.04 2.57 3.38 -0.94 0.24 115.31 122.04 1sr6 h LEU 688 Ca 0.17 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1sr6 h LEU 688 Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1sr6 h LEU 688 CO -0.03 0.54 -0.14 -0.74 0.09 0.00 0.00 178.44 178.16 1sr6 h HIS 689 N 0.95 -0.36 -0.21 1.13 2.76 -1.39 -1.10 115.15 116.93 1sr6 h HIS 689 Ca 0.33 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1sr6 h HIS 689 Cb 0.08 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1sr6 h HIS 689 CO -0.04 -0.21 0.13 1.96 -1.30 0.00 0.00 177.93 178.48 1sr6 h GLN 690 N -0.26 0.26 -0.59 5.26 4.20 -0.57 -1.94 115.11 121.49 1sr6 h GLN 690 Ca 0.04 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.86 1sr6 h GLN 690 Cb 0.30 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1sr6 h GLN 690 CO -0.11 0.17 0.40 -0.07 -0.67 0.00 0.00 178.83 178.56 1sr6 h LEU 691 N 0.27 0.23 -0.72 1.46 3.38 -0.12 2.95 115.31 122.76 1sr6 h LEU 691 Ca 0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1sr6 h LEU 691 Cb -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sr6 h LEU 691 CO -0.02 0.13 -0.17 -0.61 0.09 0.00 0.00 178.44 177.85 1sr6 h GLN 692 N 0.25 0.80 0.00 1.13 5.75 -0.43 -3.12 115.11 119.49 1sr6 h GLN 692 Ca 0.28 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1sr6 h GLN 692 Cb 0.76 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1sr6 h GLN 692 CO -0.06 0.92 -1.46 0.00 -2.65 0.00 0.00 178.83 175.58 1sr6 h ASN 694 N 0.00 -0.44 0.00 0.00 -1.24 0.53 -3.41 115.58 111.01 1sr6 h ASN 694 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1sr6 h ASN 694 Cb 0.71 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1sr6 h ASN 694 CO 0.00 -0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.54 1sr6 n GLY 695 N -1.28 1.35 0.07 1.57 0.00 -1.24 -4.99 105.19 100.67 1sr6 n GLY 695 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1sr6 n GLY 695 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sr6 h VAL 696 N 0.00 1.39 -0.53 1.61 -1.51 -1.92 0.69 116.25 115.98 1sr6 h VAL 696 Ca 0.00 -1.21 -0.06 0.00 -1.23 0.00 0.00 66.70 64.20 1sr6 h VAL 696 Cb 0.00 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1sr6 h VAL 696 CO 0.00 0.32 0.08 -0.07 -1.23 0.00 0.00 177.57 176.67 1sr6 h LEU 697 N -0.41 0.79 -0.60 4.19 3.38 -1.87 -0.85 115.31 119.93 1sr6 h LEU 697 Ca 0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1sr6 h LEU 697 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1sr6 h LEU 697 CO 0.01 0.81 -0.24 -0.33 0.09 0.00 0.00 178.44 178.78 1sr6 h GLU 698 N 0.80 0.00 0.00 1.13 4.39 -1.80 -2.16 114.58 116.93 1sr6 h GLU 698 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1sr6 h GLU 698 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1sr6 h GLU 698 CO 0.01 0.24 -0.35 0.78 -1.16 0.00 0.00 179.01 178.53 1sr6 h GLY 699 N 2.87 0.00 1.32 -3.84 0.00 -0.04 -2.21 103.07 101.17 1sr6 h GLY 699 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1sr6 h GLY 699 CO 0.03 0.00 -1.46 -2.22 0.00 0.00 0.00 176.54 172.89 1sr6 h ILE 700 N 0.00 1.28 -0.40 2.60 2.04 -0.90 -2.81 117.51 119.32 1sr6 h ILE 700 Ca -0.00 -2.80 -0.15 0.00 1.00 0.00 0.00 64.86 62.91 1sr6 h ILE 700 Cb 1.26 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 1sr6 h ILE 700 CO 0.04 0.84 -0.33 -0.09 0.00 0.00 0.00 178.15 178.62 1sr6 h ARG 701 N 0.11 0.91 -0.91 2.37 2.43 -1.44 -1.19 114.38 116.66 1sr6 h ARG 701 Ca -0.23 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.49 1sr6 h ARG 701 Cb 2.09 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.59 1sr6 h ARG 701 CO 0.23 1.10 0.53 0.82 -1.51 0.00 0.00 179.97 181.14 1sr6 h ILE 702 N 0.76 1.25 0.00 1.20 1.08 -1.46 -2.15 117.51 118.19 1sr6 h ILE 702 Ca 0.08 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1sr6 h ILE 702 Cb 0.90 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1sr6 h ILE 702 CO 0.08 0.27 -0.15 0.00 -0.69 0.00 0.00 178.15 177.67 1sr6 h ARG 704 N 0.00 0.77 -0.92 0.00 2.43 -0.52 -3.15 114.38 113.00 1sr6 h ARG 704 Ca 0.00 -0.40 0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1sr6 h ARG 704 Cb 0.62 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.06 1sr6 h ARG 704 CO 0.00 1.02 0.46 0.87 -1.51 0.00 0.00 179.97 180.81 1sr6 h LYS 705 N 0.64 0.49 0.00 0.20 1.57 -1.62 -3.41 116.57 114.43 1sr6 h LYS 705 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1sr6 h LYS 705 Cb 0.94 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1sr6 h LYS 705 CO 0.09 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.70 1sr6 n GLY 706 N -1.33 1.12 2.91 3.86 0.00 -1.19 -5.04 105.19 105.52 1sr6 n GLY 706 Ca 0.22 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1sr6 n GLY 706 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sr6 s PHE 707 N 1.51 3.06 0.00 1.61 0.08 -1.26 -4.74 117.98 118.23 1sr6 s PHE 707 Ca 0.00 -3.10 0.00 0.00 0.12 0.00 0.00 56.93 53.95 1sr6 s PHE 707 Cb 0.00 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1sr6 s PHE 707 CO 0.00 -0.72 0.00 -2.30 -0.10 0.00 0.00 175.22 172.10 1sr6 n PRO 708 N 3.00 0.00 -1.62 0.24 -0.02 -1.17 -4.52 135.00 130.92 1sr6 n PRO 708 Ca 0.08 0.00 -0.60 0.00 -2.02 0.00 0.00 63.50 60.96 1sr6 n PRO 708 Cb 0.33 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.73 1sr6 n PRO 708 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sr6 n SER 709 N 0.00 1.02 -4.03 2.55 3.41 -1.25 -4.67 113.62 110.66 1sr6 n SER 709 Ca 0.00 1.15 -0.15 0.00 -0.26 0.00 0.00 58.87 59.61 1sr6 n SER 709 Cb 0.00 -0.99 -0.13 0.00 -0.26 0.00 0.00 64.21 62.83 1sr6 n SER 709 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sr6 s ARG 710 N 1.50 0.51 0.02 4.33 3.03 -1.26 -1.61 118.95 125.48 1sr6 s ARG 710 Ca 0.95 -0.52 0.05 0.00 2.03 0.00 0.00 55.73 58.23 1sr6 s ARG 710 Cb -1.25 -0.38 -0.02 0.00 -1.03 0.00 0.00 34.95 32.27 1sr6 s ARG 710 CO 0.64 0.09 -0.14 -0.51 -1.13 0.00 0.00 175.30 174.25 1sr6 s LEU 711 N -0.95 2.13 -0.34 -1.89 1.43 -0.58 -4.96 118.68 113.51 1sr6 s LEU 711 Ca -0.04 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1sr6 s LEU 711 Cb -0.07 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1sr6 s LEU 711 CO 0.00 0.08 0.82 0.27 0.23 0.00 0.00 176.35 177.75 1sr6 s ILE 712 N -0.68 4.72 0.00 -0.59 -4.36 -1.26 0.74 121.20 119.76 1sr6 s ILE 712 Ca 0.03 1.09 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 1sr6 s ILE 712 Cb -0.07 -4.21 0.00 0.00 1.25 0.00 0.00 42.46 39.43 1sr6 s ILE 712 CO 0.01 -0.38 0.00 -1.22 0.24 0.00 0.00 174.94 173.59 1sr6 n TYR 713 N 6.41 0.00 -0.17 1.37 4.01 -1.23 0.10 117.16 127.64 1sr6 n TYR 713 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1sr6 n TYR 713 Cb 0.48 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1sr6 n TYR 713 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1sr6 h SER 714 N 0.00 -1.34 -0.43 7.72 0.02 -1.87 -0.81 113.55 116.84 1sr6 h SER 714 Ca 0.00 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1sr6 h SER 714 Cb 0.00 0.62 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1sr6 h SER 714 CO 0.00 -0.33 0.20 -0.33 -1.14 0.00 0.00 176.83 175.23 1sr6 h GLU 715 N -0.24 0.61 -0.58 3.45 5.08 0.28 -3.03 114.58 120.15 1sr6 h GLU 715 Ca 0.18 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1sr6 h GLU 715 Cb 0.56 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 1sr6 h GLU 715 CO -0.64 0.53 0.08 0.35 -1.00 0.00 0.00 179.01 178.33 1sr6 h PHE 716 N 0.55 0.11 -0.31 4.33 3.57 -1.19 0.38 116.94 124.37 1sr6 h PHE 716 Ca 0.15 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1sr6 h PHE 716 Cb 0.12 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1sr6 h PHE 716 CO -0.01 -0.07 -0.02 1.57 -2.23 0.00 0.00 178.31 177.55 1sr6 h LYS 717 N 0.20 0.57 -0.76 1.11 2.10 -1.28 0.49 116.57 118.99 1sr6 h LYS 717 Ca 0.30 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.78 1sr6 h LYS 717 Cb 0.46 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.71 1sr6 h LYS 717 CO -0.43 0.72 0.50 0.37 -2.00 0.00 0.00 179.45 178.61 1sr6 h GLN 718 N 0.36 0.95 0.05 0.07 4.15 -1.20 -1.58 115.11 117.90 1sr6 h GLN 718 Ca 0.09 -0.06 -0.30 0.00 0.77 0.00 0.00 58.65 59.15 1sr6 h GLN 718 Cb 0.47 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1sr6 h GLN 718 CO 0.02 0.63 -1.66 -0.09 -1.93 0.00 0.00 178.83 175.80 1sr6 h ARG 719 N 0.98 0.10 -0.01 1.69 9.65 -0.74 -3.41 114.38 122.64 1sr6 h ARG 719 Ca 0.29 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1sr6 h ARG 719 Cb -0.04 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1sr6 h ARG 719 CO -0.07 0.80 -0.24 0.66 2.80 0.00 0.00 179.97 183.92 1sr6 n TYR 720 N -3.24 0.04 0.22 2.20 4.02 0.17 -4.63 117.16 115.94 1sr6 n TYR 720 Ca -0.18 -1.24 0.10 0.00 -0.01 0.00 0.00 57.90 56.57 1sr6 n TYR 720 Cb 1.04 -0.21 0.46 0.00 -0.02 0.00 0.00 39.34 40.61 1sr6 n TYR 720 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1sr6 h SER 721 N 0.52 0.00 0.30 7.72 0.02 -1.45 -2.71 113.55 117.94 1sr6 h SER 721 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1sr6 h SER 721 Cb 1.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1sr6 h SER 721 CO 0.01 0.21 -0.07 0.40 -1.14 0.00 0.00 176.83 176.23 1sr6 h ILE 722 N 0.00 0.45 0.00 3.27 1.08 -1.85 -1.85 117.51 118.62 1sr6 h ILE 722 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1sr6 h ILE 722 Cb 0.76 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1sr6 h ILE 722 CO 0.03 0.07 0.00 0.18 -0.69 0.00 0.00 178.15 177.74 1sr6 n LEU 723 N -3.57 0.00 -2.73 1.44 4.77 -1.02 -4.30 117.00 111.60 1sr6 n LEU 723 Ca -0.02 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1sr6 n LEU 723 Cb 0.19 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1sr6 n LEU 723 CO 0.28 -0.01 0.36 0.00 -1.33 0.00 0.00 177.39 176.68 1sr6 n ALA 724 N -1.32 -1.29 -0.23 -1.18 0.00 -0.71 -4.82 120.51 110.95 1sr6 n ALA 724 Ca 0.13 -1.29 -0.08 0.00 0.00 0.00 0.00 53.44 52.19 1sr6 n ALA 724 Cb 0.25 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.24 1sr6 n ALA 724 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sr6 h PRO 725 N 3.17 1.06 -0.10 0.00 0.11 -1.69 -3.05 132.00 131.50 1sr6 h PRO 725 Ca -0.14 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sr6 h PRO 725 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1sr6 h PRO 725 CO 0.15 0.98 0.00 0.09 -0.21 0.00 0.00 178.00 179.02 1sr6 n ASN 726 N -4.25 0.10 0.00 -2.05 3.02 -1.26 -2.29 115.26 108.53 1sr6 n ASN 726 Ca 0.04 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 1sr6 n ASN 726 Cb 0.29 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1sr6 n ASN 726 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sr6 n ALA 727 N -0.42 1.97 -2.52 5.41 0.00 -1.15 -5.01 120.51 118.79 1sr6 n ALA 727 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1sr6 n ALA 727 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 1sr6 n ALA 727 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sr6 s ILE 728 N -0.13 5.06 0.15 0.00 -1.09 -0.97 -5.00 121.20 119.23 1sr6 s ILE 728 Ca 0.00 -0.04 -0.26 0.00 -2.23 0.00 0.00 60.65 58.12 1sr6 s ILE 728 Cb 0.00 -3.98 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1sr6 s ILE 728 CO 0.00 -0.31 1.59 -0.65 -1.23 0.00 0.00 174.94 174.34 1sr6 h PRO 729 N 8.62 -0.33 -4.12 2.79 0.11 -1.95 -3.50 132.00 133.62 1sr6 h PRO 729 Ca -0.27 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1sr6 h PRO 729 Cb 1.12 0.08 0.07 0.00 0.11 0.00 0.00 31.00 32.37 1sr6 h PRO 729 CO 0.77 -0.22 -0.29 0.94 -0.21 0.00 0.00 178.00 178.99 1sr6 n GLN 730 N -5.42 -0.92 0.00 1.05 7.27 -1.26 -5.22 117.38 112.88 1sr6 n GLN 730 Ca -0.01 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1sr6 n GLN 730 Cb 0.34 -3.49 0.00 0.00 2.41 0.00 0.00 30.24 29.50 1sr6 n GLN 730 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1sr6 n ASP 734 N -2.05 0.00 0.04 1.69 -0.08 -1.26 -5.32 116.55 109.57 1sr6 n ASP 734 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1sr6 n ASP 734 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1sr6 n ASP 734 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sr6 n GLY 735 N 2.50 -1.64 0.15 0.27 0.00 -1.26 -4.86 105.19 100.36 1sr6 n GLY 735 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 1sr6 n GLY 735 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sr6 h LYS 736 N 0.00 0.32 -0.03 1.61 3.64 -1.97 -3.09 116.57 117.05 1sr6 h LYS 736 Ca 0.00 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1sr6 h LYS 736 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1sr6 h LYS 736 CO 0.00 0.99 -0.17 1.15 -2.27 0.00 0.00 179.45 179.15 1sr6 h THR 737 N 0.20 0.00 -0.70 1.00 2.02 -1.98 1.43 112.91 114.87 1sr6 h THR 737 Ca -0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.27 1sr6 h THR 737 Cb 1.44 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.71 1sr6 h THR 737 CO 0.14 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.41 1sr6 h VAL 738 N -0.19 0.27 -0.53 3.16 2.07 -1.91 0.24 116.25 119.37 1sr6 h VAL 738 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sr6 h VAL 738 Cb 0.21 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1sr6 h VAL 738 CO -0.13 0.00 0.35 0.28 0.02 0.00 0.00 177.57 178.09 1sr6 h SER 739 N -0.02 0.60 0.31 0.57 0.02 -1.25 0.42 113.55 114.20 1sr6 h SER 739 Ca 0.33 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1sr6 h SER 739 Cb 0.53 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1sr6 h SER 739 CO -0.73 0.44 -0.11 -0.33 -1.14 0.00 0.00 176.83 174.95 1sr6 h GLU 740 N 0.71 0.00 0.20 3.45 5.08 0.49 -0.42 114.58 124.09 1sr6 h GLU 740 Ca 0.19 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.23 1sr6 h GLU 740 Cb -0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.19 1sr6 h GLU 740 CO -0.04 0.11 -1.53 -0.22 -1.00 0.00 0.00 179.01 176.33 1sr6 h LYS 741 N 0.00 0.42 -0.24 2.33 3.64 0.62 -2.33 116.57 121.01 1sr6 h LYS 741 Ca -0.00 -0.72 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 1sr6 h LYS 741 Cb 0.30 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1sr6 h LYS 741 CO 0.01 1.34 0.11 0.82 -2.27 0.00 0.00 179.45 179.47 1sr6 h ILE 742 N 0.02 1.15 0.11 2.00 2.04 0.29 0.38 117.51 123.50 1sr6 h ILE 742 Ca -0.29 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1sr6 h ILE 742 Cb 2.04 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1sr6 h ILE 742 CO 0.19 0.15 -0.05 -0.07 0.00 0.00 0.00 178.15 178.37 1sr6 h LEU 743 N 0.25 -0.13 -0.47 1.44 3.38 -1.22 0.16 115.31 118.72 1sr6 h LEU 743 Ca 0.08 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1sr6 h LEU 743 Cb 0.14 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1sr6 h LEU 743 CO -0.01 0.15 0.27 0.00 0.09 0.00 0.00 178.44 178.93 1sr6 h ALA 744 N 0.45 0.60 -0.47 1.53 0.00 -1.38 -0.98 119.26 119.01 1sr6 h ALA 744 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1sr6 h ALA 744 Cb 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1sr6 h ALA 744 CO 0.02 -0.06 0.17 0.78 0.00 0.00 0.00 179.25 180.17 1sr6 h GLY 745 N 0.53 0.62 0.56 0.00 0.00 -0.05 0.25 103.07 104.99 1sr6 h GLY 745 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sr6 h GLY 745 CO -0.10 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.50 1sr6 n LEU 746 N -5.00 0.00 -3.79 3.11 4.77 0.54 -4.78 117.00 111.85 1sr6 n LEU 746 Ca 0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1sr6 n LEU 746 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1sr6 n LEU 746 CO 0.25 0.00 0.15 0.00 -1.33 0.00 0.00 177.39 176.46 1sr6 n GLN 747 N -0.78 -6.34 -1.68 3.23 10.64 0.87 -4.87 117.38 118.46 1sr6 n GLN 747 Ca 0.05 0.68 -0.43 0.00 -1.83 0.00 0.00 57.00 55.47 1sr6 n GLN 747 Cb 0.02 -5.61 -0.01 0.00 -0.86 0.00 0.00 30.24 23.78 1sr6 n GLN 747 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1sr6 n MET 748 N -4.76 2.01 -2.43 2.61 2.81 -0.44 -4.91 117.12 112.00 1sr6 n MET 748 Ca 0.01 0.71 -0.43 0.00 -1.81 0.00 0.00 57.70 56.17 1sr6 n MET 748 Cb 0.55 -2.28 -0.02 0.00 -0.71 0.00 0.00 33.22 30.76 1sr6 n MET 748 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1sr6 s ASP 749 N -0.21 6.65 0.37 7.83 -1.08 -1.26 -4.90 116.67 124.07 1sr6 s ASP 749 Ca 0.59 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 54.02 1sr6 s ASP 749 Cb -0.60 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 39.59 1sr6 s ASP 749 CO 0.59 -1.11 1.38 -2.65 0.52 0.00 0.00 175.17 173.90 1sr6 n PRO 750 N 7.38 -0.04 0.01 4.34 -0.02 -1.26 -0.17 135.00 145.23 1sr6 n PRO 750 Ca 0.15 1.14 -0.13 0.00 -2.02 0.00 0.00 63.50 62.64 1sr6 n PRO 750 Cb 0.47 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1sr6 n PRO 750 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sr6 h ALA 751 N 1.51 -0.02 -1.00 3.55 0.00 -2.03 -3.27 119.26 118.02 1sr6 h ALA 751 Ca 0.77 -0.18 0.35 0.00 0.00 0.00 0.00 54.91 55.85 1sr6 h ALA 751 Cb 2.34 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.95 1sr6 h ALA 751 CO -0.49 -0.33 0.31 1.49 0.00 0.00 0.00 179.25 180.23 1sr6 h GLU 752 N -0.37 0.02 0.00 0.00 4.57 -0.96 -3.44 114.58 114.39 1sr6 h GLU 752 Ca -0.00 -0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.82 1sr6 h GLU 752 Cb 0.36 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 1sr6 h GLU 752 CO 0.00 0.01 -0.29 2.48 -1.18 0.00 0.00 179.01 180.04 1sr6 n TYR 753 N -5.35 0.20 -3.49 0.92 4.11 -1.23 -0.43 117.16 111.88 1sr6 n TYR 753 Ca 0.31 -1.60 -0.15 0.00 -0.00 0.00 0.00 57.90 56.46 1sr6 n TYR 753 Cb 1.04 -0.04 -0.05 0.00 -0.00 0.00 0.00 39.34 40.30 1sr6 n TYR 753 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1sr6 s ARG 754 N -2.99 1.09 -0.31 -3.48 1.81 -0.82 -4.91 118.95 109.34 1sr6 s ARG 754 Ca 0.10 0.02 -0.04 0.00 -1.72 0.00 0.00 55.73 54.09 1sr6 s ARG 754 Cb 0.01 0.51 0.04 0.00 -0.45 0.00 0.00 34.95 35.06 1sr6 s ARG 754 CO 0.07 -0.39 0.04 -0.51 -0.68 0.00 0.00 175.30 173.84 1sr6 s LEU 755 N -1.70 4.04 0.00 2.53 1.43 -1.26 -1.85 118.68 121.88 1sr6 s LEU 755 Ca -0.06 -1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 51.80 1sr6 s LEU 755 Cb -0.00 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.55 1sr6 s LEU 755 CO 0.02 -0.28 0.74 0.61 0.23 0.00 0.00 176.35 177.67 1sr6 n GLY 756 N 4.71 -0.46 0.09 -3.19 0.00 -0.79 -4.63 105.19 100.92 1sr6 n GLY 756 Ca -0.13 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1sr6 n GLY 756 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sr6 n THR 757 N -2.78 0.45 0.00 2.61 -2.24 -1.13 -4.47 114.28 106.72 1sr6 n THR 757 Ca 0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1sr6 n THR 757 Cb 0.36 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1sr6 n THR 757 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sr6 n THR 758 N -2.47 0.00 -4.00 4.28 -2.24 -1.26 -5.06 114.28 103.52 1sr6 n THR 758 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1sr6 n THR 758 Cb 0.53 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1sr6 n THR 758 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1sr6 s LYS 759 N -1.87 0.51 -0.16 -0.78 -2.85 -1.26 -3.52 119.74 109.81 1sr6 s LYS 759 Ca 0.00 -0.86 -0.09 0.00 -1.00 0.00 0.00 55.97 54.01 1sr6 s LYS 759 Cb 0.00 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1sr6 s LYS 759 CO 0.00 -0.10 0.15 0.54 0.10 0.00 0.00 175.35 176.03 1sr6 s VAL 760 N -2.68 5.43 0.10 1.79 0.11 0.23 -1.88 120.40 123.49 1sr6 s VAL 760 Ca -0.04 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1sr6 s VAL 760 Cb -0.01 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 1sr6 s VAL 760 CO -0.05 0.51 0.31 -0.36 -3.33 0.00 0.00 175.10 172.18 1sr6 s PHE 761 N -0.18 3.50 0.02 1.54 0.40 -0.77 -1.53 117.98 120.97 1sr6 s PHE 761 Ca 0.11 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1sr6 s PHE 761 Cb -0.12 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1sr6 s PHE 761 CO 0.01 0.50 -0.04 -0.06 0.70 0.00 0.00 175.22 176.33 1sr6 s PHE 762 N -1.57 0.34 0.85 0.36 0.08 -0.63 -1.95 117.98 115.46 1sr6 s PHE 762 Ca 0.37 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 1sr6 s PHE 762 Cb -0.13 -0.23 0.10 0.00 -0.57 0.00 0.00 43.02 42.19 1sr6 s PHE 762 CO 0.25 -0.16 1.09 0.15 -0.10 0.00 0.00 175.22 176.45 1sr6 s LYS 763 N -1.43 1.66 0.27 0.44 -0.14 0.42 -3.02 119.74 117.94 1sr6 s LYS 763 Ca -0.14 0.91 -0.31 0.00 -1.36 0.00 0.00 55.97 55.07 1sr6 s LYS 763 Cb -0.10 -1.85 -0.12 0.00 -1.68 0.00 0.00 37.83 34.09 1sr6 s LYS 763 CO -0.01 -1.99 1.63 0.00 -0.76 0.00 0.00 175.35 174.23 1sr6 n ALA 764 N -3.72 2.59 -0.34 5.17 0.00 -1.26 -2.35 120.51 120.59 1sr6 n ALA 764 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1sr6 n ALA 764 Cb 0.55 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1sr6 n ALA 764 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sr6 n GLY 765 N 2.70 2.07 0.31 0.00 0.00 -1.26 -4.89 105.19 104.12 1sr6 n GLY 765 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1sr6 n GLY 765 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sr6 h VAL 766 N 0.00 0.34 -1.11 1.61 2.07 -1.83 -2.63 116.25 114.70 1sr6 h VAL 766 Ca 0.00 -0.36 0.31 0.00 0.82 0.00 0.00 66.70 67.48 1sr6 h VAL 766 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1sr6 h VAL 766 CO 0.00 0.04 0.78 0.25 0.02 0.00 0.00 177.57 178.66 1sr6 h LEU 767 N -0.98 0.14 -0.53 2.57 5.85 -1.90 0.48 115.31 120.93 1sr6 h LEU 767 Ca -0.07 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1sr6 h LEU 767 Cb 0.63 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1sr6 h LEU 767 CO 0.12 0.02 0.34 1.23 -0.34 0.00 0.00 178.44 179.81 1sr6 h GLY 768 N 0.12 0.75 0.83 3.75 0.00 -1.75 0.50 103.07 107.27 1sr6 h GLY 768 Ca 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1sr6 h GLY 768 CO -0.10 0.24 -0.01 3.43 0.00 0.00 0.00 176.54 180.11 1sr6 h ASN 769 N 0.69 -0.02 -0.56 0.19 -0.26 0.11 -1.79 115.58 113.94 1sr6 h ASN 769 Ca 0.20 -0.17 0.13 0.00 -0.56 0.00 0.00 56.30 55.91 1sr6 h ASN 769 Cb -0.04 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 1sr6 h ASN 769 CO -0.06 0.16 0.39 -0.07 -1.06 0.00 0.00 177.43 176.78 1sr6 h LEU 770 N -0.19 0.16 -0.02 1.61 3.38 -0.86 0.16 115.31 119.54 1sr6 h LEU 770 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sr6 h LEU 770 Cb 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sr6 h LEU 770 CO 0.00 0.09 0.00 -0.33 0.09 0.00 0.00 178.44 178.30 1sr6 h GLU 771 N 0.18 0.04 -0.48 1.13 4.39 0.80 -1.83 114.58 118.81 1sr6 h GLU 771 Ca 0.27 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 1sr6 h GLU 771 Cb 0.81 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1sr6 h GLU 771 CO -0.04 0.34 -0.09 0.93 -1.16 0.00 0.00 179.01 178.99 1sr6 h GLU 772 N -0.26 0.90 0.00 2.33 5.08 -0.58 -1.42 114.58 120.64 1sr6 h GLU 772 Ca 0.01 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1sr6 h GLU 772 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sr6 h GLU 772 CO 0.00 0.98 0.00 0.52 -1.00 0.00 0.00 179.01 179.51 1sr6 h MET 773 N 0.75 0.00 0.21 2.33 2.86 -0.71 -1.03 114.93 119.33 1sr6 h MET 773 Ca 0.12 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.42 1sr6 h MET 773 Cb 0.63 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.31 1sr6 h MET 773 CO 0.04 0.00 -1.67 -0.09 1.06 0.00 0.00 176.91 176.25 1sr6 h ARG 774 N 0.00 0.44 -0.38 1.72 2.43 -0.39 -3.21 114.38 114.99 1sr6 h ARG 774 Ca 0.00 -0.76 -0.06 0.00 -0.81 0.00 0.00 59.98 58.35 1sr6 h ARG 774 Cb 0.12 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1sr6 h ARG 774 CO 0.00 1.36 0.00 -0.44 -1.51 0.00 0.00 179.97 179.39 1sr6 h ASP 775 N 0.12 0.66 0.06 -3.80 3.32 -0.41 -1.57 116.42 114.80 1sr6 h ASP 775 Ca -0.32 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1sr6 h ASP 775 Cb 2.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.50 1sr6 h ASP 775 CO 0.21 0.80 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.17 1sr6 h GLU 776 N 0.50 -0.09 -0.01 3.56 5.08 -1.53 -1.72 114.58 120.37 1sr6 h GLU 776 Ca 0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sr6 h GLU 776 Cb 0.46 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1sr6 h GLU 776 CO 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1sr6 h ARG 777 N -0.09 0.02 -0.93 2.33 2.47 -1.55 0.43 114.38 117.07 1sr6 h ARG 777 Ca -0.00 -0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.81 1sr6 h ARG 777 Cb 0.08 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.33 1sr6 h ARG 777 CO 0.00 0.28 0.60 1.25 0.56 0.00 0.00 179.97 182.66 1sr6 h LEU 778 N -0.25 0.85 0.05 3.04 5.85 -1.28 0.53 115.31 124.09 1sr6 h LEU 778 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1sr6 h LEU 778 Cb 0.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1sr6 h LEU 778 CO 0.00 0.49 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.29 1sr6 h SER 779 N 0.93 -0.05 -0.51 1.25 0.87 -1.09 -0.83 113.55 114.11 1sr6 h SER 779 Ca 0.43 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1sr6 h SER 779 Cb 0.41 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1sr6 h SER 779 CO -0.20 0.27 0.30 0.11 -0.53 0.00 0.00 176.83 176.78 1sr6 h LYS 780 N -0.38 0.71 -0.84 2.24 6.56 -0.02 0.73 116.57 125.56 1sr6 h LYS 780 Ca -0.01 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1sr6 h LYS 780 Cb 0.34 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.82 1sr6 h LYS 780 CO 0.01 0.53 0.52 0.82 -2.06 0.00 0.00 179.45 179.27 1sr6 h ILE 781 N 0.69 1.23 -0.05 1.86 2.04 0.05 0.58 117.51 123.91 1sr6 h ILE 781 Ca 0.18 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1sr6 h ILE 781 Cb 0.02 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1sr6 h ILE 781 CO -0.03 0.24 0.01 0.40 0.00 0.00 0.00 178.15 178.77 1sr6 h ILE 782 N 1.15 1.17 -0.75 -0.67 2.04 -0.65 -0.29 117.51 119.51 1sr6 h ILE 782 Ca 0.30 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.75 1sr6 h ILE 782 Cb -0.06 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1sr6 h ILE 782 CO -0.06 0.14 0.39 0.28 0.00 0.00 0.00 178.15 178.90 1sr6 h SER 783 N -0.12 0.53 -0.48 1.72 0.02 -0.21 0.26 113.55 115.27 1sr6 h SER 783 Ca 0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1sr6 h SER 783 Cb 0.21 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1sr6 h SER 783 CO -0.00 0.29 0.16 0.24 -1.14 0.00 0.00 176.83 176.38 1sr6 h MET 784 N 0.66 0.80 0.00 3.45 2.86 0.49 0.48 114.93 123.67 1sr6 h MET 784 Ca 0.37 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1sr6 h MET 784 Cb 0.39 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1sr6 h MET 784 CO -0.27 0.70 -0.65 0.35 1.06 0.00 0.00 176.91 178.10 1sr6 h PHE 785 N 0.78 0.00 -0.19 -0.22 3.57 0.75 -1.93 116.94 119.70 1sr6 h PHE 785 Ca 0.18 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1sr6 h PHE 785 Cb 0.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1sr6 h PHE 785 CO 0.01 0.65 -0.41 1.96 -2.23 0.00 0.00 178.31 178.29 1sr6 h GLN 786 N 0.00 0.45 -0.24 1.11 4.20 0.57 -2.75 115.11 118.45 1sr6 h GLN 786 Ca -0.01 -0.23 -0.19 0.00 0.06 0.00 0.00 58.65 58.29 1sr6 h GLN 786 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1sr6 h GLN 786 CO 0.08 0.79 -0.59 0.00 -0.67 0.00 0.00 178.83 178.45 1sr6 h ALA 787 N 1.18 0.50 -0.17 3.87 0.00 -0.65 -2.10 119.26 121.89 1sr6 h ALA 787 Ca 0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1sr6 h ALA 787 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1sr6 h ALA 787 CO 0.07 0.69 0.11 1.25 0.00 0.00 0.00 179.25 181.37 1sr6 h HIS 788 N 0.59 0.22 -0.02 0.00 6.17 -1.21 0.28 115.15 121.18 1sr6 h HIS 788 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 1sr6 h HIS 788 Cb 1.19 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.05 1sr6 h HIS 788 CO 0.07 0.14 -0.20 0.82 0.71 0.00 0.00 177.93 179.48 1sr6 h ILE 789 N 0.23 1.51 -0.94 6.26 2.04 -1.31 -0.78 117.51 124.53 1sr6 h ILE 789 Ca 0.06 -1.79 0.14 0.00 1.00 0.00 0.00 64.86 64.28 1sr6 h ILE 789 Cb -0.01 2.61 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1sr6 h ILE 789 CO -0.01 0.49 0.60 0.03 0.00 0.00 0.00 178.15 179.25 1sr6 h ARG 790 N -0.46 0.75 -0.01 2.37 3.08 -0.63 0.13 114.38 119.60 1sr6 h ARG 790 Ca -0.02 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1sr6 h ARG 790 Cb 0.90 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1sr6 h ARG 790 CO 0.04 0.50 -0.58 0.78 -1.07 0.00 0.00 179.97 179.64 1sr6 h GLY 791 N 0.78 0.03 0.58 0.04 0.00 -0.34 -2.98 103.07 101.18 1sr6 h GLY 791 Ca 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1sr6 h GLY 791 CO -0.24 0.03 -0.06 -1.82 0.00 0.00 0.00 176.54 174.45 1sr6 h TYR 792 N 0.02 -0.17 0.07 5.60 5.03 0.72 -2.87 116.97 125.37 1sr6 h TYR 792 Ca -0.01 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1sr6 h TYR 792 Cb 1.03 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.33 1sr6 h TYR 792 CO 0.00 0.22 -0.37 -0.07 -1.32 0.00 0.00 178.16 176.63 1sr6 h LEU 793 N -0.60 -1.11 -0.24 2.82 3.38 -1.15 -2.12 115.31 116.29 1sr6 h LEU 793 Ca -0.02 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1sr6 h LEU 793 Cb 0.46 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1sr6 h LEU 793 CO 0.03 -0.38 -0.44 0.40 0.09 0.00 0.00 178.44 178.14 1sr6 h ILE 794 N -0.51 0.11 -1.09 1.22 2.04 -1.63 0.29 117.51 117.94 1sr6 h ILE 794 Ca -0.00 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.16 1sr6 h ILE 794 Cb 0.52 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1sr6 h ILE 794 CO -0.21 0.00 0.76 0.03 0.00 0.00 0.00 178.15 178.73 1sr6 h ARG 795 N -0.44 0.10 -0.04 2.37 -0.00 -1.39 0.78 114.38 115.76 1sr6 h ARG 795 Ca 0.09 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.98 59.43 1sr6 h ARG 795 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 1sr6 h ARG 795 CO -0.47 0.07 -0.59 -0.22 0.00 0.00 0.00 179.97 178.76 1sr6 h LYS 796 N 0.11 0.15 -0.01 0.04 1.63 0.25 -2.83 116.57 115.90 1sr6 h LYS 796 Ca 0.54 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1sr6 h LYS 796 Cb 1.94 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 1sr6 h LYS 796 CO -0.08 0.69 -0.08 0.00 -3.45 0.00 0.00 179.45 176.53 1sr6 n ALA 797 N -2.45 2.72 0.32 5.00 0.00 0.26 -4.35 120.51 122.01 1sr6 n ALA 797 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 1sr6 n ALA 797 Cb 0.60 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1sr6 n ALA 797 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sr6 h TYR 798 N 2.22 -0.75 -1.00 0.00 3.20 -0.82 -1.71 116.97 118.12 1sr6 h TYR 798 Ca 0.00 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.06 1sr6 h TYR 798 Cb 0.54 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.96 1sr6 h TYR 798 CO 0.00 -0.43 0.62 -0.22 -1.64 0.00 0.00 178.16 176.49 1sr6 h LYS 799 N -0.93 0.63 -0.42 1.82 3.11 -1.76 0.23 116.57 119.24 1sr6 h LYS 799 Ca -0.08 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.62 1sr6 h LYS 799 Cb 0.66 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1sr6 h LYS 799 CO 0.14 0.42 -0.13 -0.22 -2.81 0.00 0.00 179.45 176.84 1sr6 h LYS 800 N 0.65 0.78 -0.51 1.90 3.64 -1.76 -2.34 116.57 118.93 1sr6 h LYS 800 Ca 0.58 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1sr6 h LYS 800 Cb 1.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1sr6 h LYS 800 CO -0.36 0.87 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.48 1sr6 h LEU 801 N 0.70 1.00 -1.14 5.20 4.07 0.33 0.12 115.31 125.57 1sr6 h LEU 801 Ca 0.11 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1sr6 h LEU 801 Cb 0.62 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1sr6 h LEU 801 CO 0.04 1.13 0.58 1.56 -1.08 0.00 0.00 178.44 180.67 1sr6 h GLN 802 N 0.85 1.15 0.24 1.13 4.20 -0.93 -2.48 115.11 119.27 1sr6 h GLN 802 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1sr6 h GLN 802 Cb 0.70 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1sr6 h GLN 802 CO 0.05 0.76 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.42 1sr6 h ASP 803 N 1.19 -0.28 0.00 1.46 3.32 -1.15 -3.24 116.42 117.72 1sr6 h ASP 803 Ca 0.32 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1sr6 h ASP 803 Cb -0.14 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1sr6 h ASP 803 CO -0.07 0.23 0.29 0.00 -1.72 0.00 0.00 179.24 177.97 1sr6 n GLN 804 N -4.99 0.07 -0.01 3.56 6.02 0.38 -1.65 117.38 120.75 1sr6 n GLN 804 Ca -0.06 0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 57.35 1sr6 n GLN 804 Cb 0.20 -2.01 -0.07 0.00 1.02 0.00 0.00 30.24 29.38 1sr6 n GLN 804 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1sr6 h ARG 805 N 0.00 -0.09 -0.43 -1.09 2.43 -1.47 -1.35 114.38 112.38 1sr6 h ARG 805 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1sr6 h ARG 805 Cb 0.58 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1sr6 h ARG 805 CO 0.00 0.41 0.22 0.82 -1.51 0.00 0.00 179.97 179.91 1sr6 h ILE 806 N -0.94 1.14 0.60 1.20 2.04 -1.42 0.29 117.51 120.42 1sr6 h ILE 806 Ca -0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1sr6 h ILE 806 Cb 0.54 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1sr6 h ILE 806 CO 0.02 0.16 -0.31 1.23 0.00 0.00 0.00 178.15 179.25 1sr6 h GLY 807 N 0.69 -0.88 1.58 5.37 0.00 -1.40 0.84 103.07 109.28 1sr6 h GLY 807 Ca 0.15 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 1sr6 h GLY 807 CO -0.02 -0.32 0.08 -2.00 0.00 0.00 0.00 176.54 174.27 1sr6 h LEU 808 N -0.83 0.49 -0.15 3.11 5.85 -0.88 -2.27 115.31 120.62 1sr6 h LEU 808 Ca -0.08 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1sr6 h LEU 808 Cb 0.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1sr6 h LEU 808 CO 0.12 0.50 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.43 1sr6 h SER 809 N 0.52 -0.07 0.26 1.25 0.87 0.08 -0.85 113.55 115.61 1sr6 h SER 809 Ca 0.12 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1sr6 h SER 809 Cb 0.22 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1sr6 h SER 809 CO -0.00 -0.02 -0.43 0.58 -0.53 0.00 0.00 176.83 176.43 1sr6 h VAL 810 N 0.04 0.00 -0.68 2.23 2.07 -0.29 -0.96 116.25 118.66 1sr6 h VAL 810 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1sr6 h VAL 810 Cb 0.09 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.73 1sr6 h VAL 810 CO -0.13 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.57 1sr6 h ILE 811 N -0.73 0.18 -0.69 4.57 2.04 -1.22 0.23 117.51 121.89 1sr6 h ILE 811 Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1sr6 h ILE 811 Cb 0.68 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1sr6 h ILE 811 CO -0.15 0.00 0.18 1.56 0.00 0.00 0.00 178.15 179.74 1sr6 h GLN 812 N -0.10 1.08 0.52 2.37 4.20 -0.95 0.69 115.11 122.92 1sr6 h GLN 812 Ca 0.28 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1sr6 h GLN 812 Cb 0.55 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1sr6 h GLN 812 CO -0.74 0.94 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.03 1sr6 h ARG 813 N 1.03 -0.67 0.19 1.46 2.43 0.10 -2.62 114.38 116.31 1sr6 h ARG 813 Ca 0.22 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1sr6 h ARG 813 Cb 0.34 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1sr6 h ARG 813 CO -0.00 -0.38 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.06 1sr6 h ASN 814 N -0.85 -0.25 -0.21 -3.80 2.35 -0.96 -2.37 115.58 109.48 1sr6 h ASN 814 Ca -0.07 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1sr6 h ASN 814 Cb 0.60 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1sr6 h ASN 814 CO 0.12 -0.17 0.20 0.40 -1.65 0.00 0.00 177.43 176.33 1sr6 h ILE 815 N -0.28 0.57 0.00 2.81 2.04 -0.93 0.72 117.51 122.45 1sr6 h ILE 815 Ca -0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 1sr6 h ILE 815 Cb 0.22 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1sr6 h ILE 815 CO 0.03 0.00 -0.66 0.03 0.00 0.00 0.00 178.15 177.55 1sr6 h ARG 816 N 0.00 0.00 0.13 2.37 3.08 -1.03 -2.98 114.38 115.94 1sr6 h ARG 816 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1sr6 h ARG 816 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sr6 h ARG 816 CO -0.00 0.66 -0.06 0.87 -1.07 0.00 0.00 179.97 180.36 1sr6 h LYS 817 N 0.00 -0.16 -0.23 0.04 1.79 -0.51 -1.32 116.57 116.18 1sr6 h LYS 817 Ca -0.01 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1sr6 h LYS 817 Cb 1.38 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 1sr6 h LYS 817 CO 0.09 0.30 0.17 2.35 -1.08 0.00 0.00 179.45 181.28 1sr6 h TRP 818 N -0.77 0.00 0.02 -1.35 7.01 -1.57 0.68 115.95 119.97 1sr6 h TRP 818 Ca -0.02 0.00 -0.21 0.00 2.11 0.00 0.00 58.89 60.77 1sr6 h TRP 818 Cb 0.54 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1sr6 h TRP 818 CO 0.09 0.00 -0.95 1.25 -2.79 0.00 0.00 178.44 176.04 1sr6 h LEU 819 N 0.00 0.22 0.02 0.65 6.46 -1.47 -1.98 115.31 119.21 1sr6 h LEU 819 Ca 0.11 -0.20 -0.10 0.00 -0.12 0.00 0.00 57.88 57.57 1sr6 h LEU 819 Cb 0.44 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1sr6 h LEU 819 CO -0.00 1.05 -0.42 0.58 -0.62 0.00 0.00 178.44 179.03 1sr6 h VAL 820 N 0.08 1.52 0.03 1.05 2.07 0.35 -3.25 116.25 118.11 1sr6 h VAL 820 Ca -0.05 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.40 1sr6 h VAL 820 Cb 1.62 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 34.15 1sr6 h VAL 820 CO 0.14 0.58 -0.43 -0.07 0.02 0.00 0.00 177.57 177.81 1sr6 h LEU 821 N -0.39 -1.30 0.00 2.57 3.38 0.20 0.17 115.31 119.93 1sr6 h LEU 821 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sr6 h LEU 821 Cb 1.18 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1sr6 h LEU 821 CO 0.08 -0.48 0.00 0.54 0.09 0.00 0.00 178.44 178.68 1sr6 n ARG 822 N -5.46 0.00 0.00 1.13 1.74 -0.74 -0.48 116.66 112.85 1sr6 n ARG 822 Ca -0.06 0.40 0.07 0.00 -0.77 0.00 0.00 57.85 57.49 1sr6 n ARG 822 Cb 0.38 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1sr6 n ARG 822 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1sr6 n ASN 823 N -1.40 1.91 -4.62 0.55 3.02 0.48 -4.81 115.26 110.38 1sr6 n ASN 823 Ca 0.00 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.67 1sr6 n ASN 823 Cb 0.00 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 1sr6 n ASN 823 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1sr6 s TRP 824 N -1.37 3.19 0.59 3.10 -0.00 0.37 -4.93 118.94 119.90 1sr6 s TRP 824 Ca 0.15 0.99 0.31 0.00 -0.00 0.00 0.00 56.10 57.54 1sr6 s TRP 824 Cb 0.11 -3.41 1.21 0.00 -0.00 0.00 0.00 33.47 31.38 1sr6 s TRP 824 CO 0.24 -0.65 1.53 1.96 -0.00 0.00 0.00 176.95 180.03 1sr6 h GLN 825 N 8.08 0.00 0.00 5.86 1.08 -1.92 0.24 115.11 128.46 1sr6 h GLN 825 Ca -0.23 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.76 1sr6 h GLN 825 Cb 1.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.48 1sr6 h GLN 825 CO 0.95 0.00 -1.08 -1.49 -0.95 0.00 0.00 178.83 176.26 1sr6 h TRP 826 N 0.00 0.00 -0.12 2.96 -0.00 -1.93 -3.33 115.95 113.54 1sr6 h TRP 826 Ca 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 59.29 1sr6 h TRP 826 Cb 2.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 31.66 1sr6 h TRP 826 CO 0.00 0.96 -0.20 2.35 -0.00 0.00 0.00 178.44 181.55 1sr6 h TRP 827 N 0.00 0.43 -0.59 0.49 7.01 -0.78 0.73 115.95 123.24 1sr6 h TRP 827 Ca -0.05 -0.15 0.08 0.00 2.11 0.00 0.00 58.89 60.88 1sr6 h TRP 827 Cb 1.78 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.72 1sr6 h TRP 827 CO 0.00 0.81 0.40 -0.22 -2.79 0.00 0.00 178.44 176.64 1sr6 h LYS 828 N -0.07 0.46 0.13 2.65 3.11 -1.69 0.51 116.57 121.66 1sr6 h LYS 828 Ca 0.01 -0.03 -0.33 0.00 -2.81 0.00 0.00 60.65 57.49 1sr6 h LYS 828 Cb 0.78 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.90 1sr6 h LYS 828 CO 0.05 0.30 -1.68 -0.07 -2.81 0.00 0.00 179.45 175.23 1sr6 h LEU 829 N 0.47 0.42 -1.51 5.20 3.38 -1.64 -0.49 115.31 121.14 1sr6 h LEU 829 Ca 0.27 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1sr6 h LEU 829 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sr6 h LEU 829 CO -0.08 1.57 0.07 0.22 0.09 0.00 0.00 178.44 180.32 1sr6 h TYR 830 N 0.07 0.39 -0.01 1.13 5.03 0.15 -2.93 116.97 120.79 1sr6 h TYR 830 Ca -0.30 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.99 1sr6 h TYR 830 Cb 2.04 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 40.20 1sr6 h TYR 830 CO 0.07 0.34 -0.13 -1.13 -1.32 0.00 0.00 178.16 176.00 1sr6 n SER 831 N -4.39 1.82 -0.74 -2.11 3.41 0.17 -4.00 113.62 107.79 1sr6 n SER 831 Ca 0.01 -1.41 0.13 0.00 -0.26 0.00 0.00 58.87 57.34 1sr6 n SER 831 Cb 0.16 0.22 0.31 0.00 -0.26 0.00 0.00 64.21 64.63 1sr6 n SER 831 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sr6 n LYS 832 N 0.34 2.01 -0.82 4.33 2.85 -0.19 -2.99 118.16 123.69 1sr6 n LYS 832 Ca 0.07 -1.48 0.07 0.00 -1.05 0.00 0.00 58.31 55.92 1sr6 n LYS 832 Cb 0.32 -1.47 0.38 0.00 -0.65 0.00 0.00 35.03 33.61 1sr6 n LYS 832 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1sr6 n VAL 833 N 0.79 2.69 -0.11 0.58 0.31 -1.11 -4.46 118.33 117.01 1sr6 n VAL 833 Ca 0.17 -1.50 -0.20 0.00 -0.01 0.00 0.00 64.34 62.79 1sr6 n VAL 833 Cb 0.48 -0.27 -0.12 0.00 -0.91 0.00 0.00 33.84 33.02 1sr6 n VAL 833 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1sr6 n LYS 834 N 0.42 0.65 0.00 5.55 4.76 -1.16 -4.80 118.16 123.58 1sr6 n LYS 834 Ca 0.27 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1sr6 n LYS 834 Cb 1.15 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.79 1sr6 n LYS 834 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1sr6 n PRO 835 N -3.47 0.00 0.00 1.97 -0.02 -1.26 -4.12 135.00 128.10 1sr6 n PRO 835 Ca -0.45 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1sr6 n PRO 835 Cb 0.98 -0.46 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1sr6 n PRO 835 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1sr6 n LEU 836 N 0.00 0.00 0.00 2.45 -0.00 -1.26 -5.24 117.00 112.95 1sr6 n LEU 836 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sr6 n LEU 836 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1sr6 n LEU 836 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.39 177.28