#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bek s VAL 6 N 0.00 4.91 -0.07 3.15 1.01 -1.26 -4.89 120.40 123.25 2bek s VAL 6 Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 2bek s VAL 6 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2bek s VAL 6 CO 0.00 -0.01 -0.08 0.54 0.00 0.00 0.00 175.10 175.54 2bek n ARG 7 N 5.77 0.16 -3.59 2.72 1.74 -1.26 -4.99 116.66 117.20 2bek n ARG 7 Ca 0.02 0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 2bek n ARG 7 Cb 0.48 -0.86 -0.08 0.00 -1.02 0.00 0.00 32.46 30.98 2bek n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bek s ARG 8 N -2.13 4.16 -0.13 5.56 0.52 -1.26 -0.67 118.95 125.00 2bek s ARG 8 Ca -0.10 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 2bek s ARG 8 Cb 0.03 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 32.03 2bek s ARG 8 CO 0.13 0.13 -0.15 0.42 0.02 0.00 0.00 175.30 175.86 2bek s ILE 9 N 0.83 1.55 -0.06 1.52 1.01 0.74 -1.12 121.20 125.65 2bek s ILE 9 Ca 0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 2bek s ILE 9 Cb -0.13 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2bek s ILE 9 CO 0.04 0.45 0.28 0.00 0.00 0.00 0.00 174.94 175.71 2bek s ALA 10 N 1.19 3.77 -0.45 9.38 0.00 -0.58 -0.39 121.76 134.67 2bek s ALA 10 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2bek s ALA 10 Cb -0.14 -2.21 0.07 0.00 0.00 0.00 0.00 23.12 20.84 2bek s ALA 10 CO -0.05 0.51 0.35 -0.51 0.00 0.00 0.00 175.76 176.05 2bek s LEU 11 N -0.93 5.46 0.02 0.00 2.01 0.65 -1.24 118.68 124.65 2bek s LEU 11 Ca 0.19 -1.38 0.01 0.00 0.01 0.00 0.00 54.13 52.97 2bek s LEU 11 Cb -0.14 -2.12 -0.01 0.00 0.01 0.00 0.00 46.19 43.93 2bek s LEU 11 CO 0.09 -0.61 -0.05 0.00 1.01 0.00 0.00 176.35 176.79 2bek s ALA 12 N 1.57 0.33 -0.30 4.21 0.00 -1.13 -2.33 121.76 124.12 2bek s ALA 12 Ca 0.04 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 2bek s ALA 12 Cb -0.24 0.01 0.20 0.00 0.00 0.00 0.00 23.12 23.09 2bek s ALA 12 CO 0.05 -0.00 1.32 1.21 0.00 0.00 0.00 175.76 178.33 2bek s ASN 13 N -0.82 -0.01 0.08 0.00 3.84 -1.26 -4.35 114.94 112.42 2bek s ASN 13 Ca -0.06 0.01 0.14 0.00 0.21 0.00 0.00 52.86 53.16 2bek s ASN 13 Cb -0.06 1.01 0.60 0.00 -0.55 0.00 0.00 41.25 42.26 2bek s ASN 13 CO -0.00 -0.00 1.43 0.00 -2.79 0.00 0.00 177.10 175.73 2bek n GLN 14 N 4.64 0.05 -2.43 0.43 10.64 -1.26 -4.45 117.38 125.00 2bek n GLN 14 Ca -0.07 0.37 -0.42 0.00 -1.83 0.00 0.00 57.00 55.06 2bek n GLN 14 Cb 0.56 -1.61 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 2bek n GLN 14 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2bek s LYS 15 N -3.11 4.48 0.37 2.61 2.47 -1.26 -4.10 119.74 121.20 2bek s LYS 15 Ca 0.04 1.78 -0.24 0.00 -1.56 0.00 0.00 55.97 55.99 2bek s LYS 15 Cb 0.07 -3.31 -0.10 0.00 -1.46 0.00 0.00 37.83 33.03 2bek s LYS 15 CO 0.22 -0.15 1.00 0.20 0.16 0.00 0.00 175.35 176.78 2bek s GLY 16 N 0.61 2.71 -1.22 5.54 0.00 -1.26 -4.27 107.32 109.44 2bek s GLY 16 Ca 0.55 0.60 -0.00 0.00 0.00 0.00 0.00 44.72 45.87 2bek s GLY 16 CO 0.32 1.01 0.92 0.61 0.00 0.00 0.00 173.10 175.97 2bek n GLY 17 N 0.29 -0.39 0.54 0.20 0.00 -1.26 -4.94 105.19 99.63 2bek n GLY 17 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2bek n GLY 17 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bek n VAL 18 N -4.12 0.86 -0.07 1.61 0.24 -1.26 -4.96 118.33 110.63 2bek n VAL 18 Ca -0.28 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 2bek n VAL 18 Cb 0.67 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 2bek n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bek n GLY 19 N 0.41 0.96 0.22 7.63 0.00 -1.26 -4.21 105.19 108.94 2bek n GLY 19 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2bek n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bek h LYS 20 N 0.59 -0.48 -0.21 1.61 1.57 -1.93 -1.26 116.57 116.47 2bek h LYS 20 Ca 0.00 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2bek h LYS 20 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2bek h LYS 20 CO 0.00 -0.29 0.00 1.15 -0.57 0.00 0.00 179.45 179.74 2bek h THR 21 N -0.54 1.25 -0.96 -0.16 2.02 -1.93 -0.63 112.91 111.97 2bek h THR 21 Ca -0.05 -0.87 0.06 0.00 0.77 0.00 0.00 66.41 66.33 2bek h THR 21 Cb 0.41 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 2bek h THR 21 CO 0.08 0.27 0.61 0.74 0.37 0.00 0.00 175.52 177.59 2bek h THR 22 N 0.13 1.07 -0.22 3.16 2.02 -1.98 -0.76 112.91 116.33 2bek h THR 22 Ca 0.06 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.72 2bek h THR 22 Cb 0.39 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2bek h THR 22 CO 0.01 0.20 -0.38 0.74 0.37 0.00 0.00 175.52 176.46 2bek h THR 23 N 1.11 1.32 -0.23 3.16 2.02 -1.08 -2.02 112.91 117.19 2bek h THR 23 Ca 0.42 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 66.01 2bek h THR 23 Cb 0.17 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2bek h THR 23 CO -0.17 0.50 0.13 0.00 0.37 0.00 0.00 175.52 176.34 2bek h ALA 24 N 0.63 0.29 0.07 6.16 0.00 -0.52 0.15 119.26 126.04 2bek h ALA 24 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bek h ALA 24 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2bek h ALA 24 CO 0.09 -0.27 -0.03 0.82 0.00 0.00 0.00 179.25 179.85 2bek h ILE 25 N 0.27 1.05 0.00 0.00 2.04 -1.18 -2.11 117.51 117.58 2bek h ILE 25 Ca 0.09 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 2bek h ILE 25 Cb 0.01 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2bek h ILE 25 CO -0.05 0.10 -0.32 0.78 0.00 0.00 0.00 178.15 178.66 2bek h ASN 26 N -0.28 0.00 -0.25 1.72 2.35 -1.30 -1.30 115.58 116.53 2bek h ASN 26 Ca -0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 2bek h ASN 26 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2bek h ASN 26 CO 0.02 0.32 -0.61 0.25 -1.65 0.00 0.00 177.43 175.75 2bek h LEU 27 N 0.00 0.97 -0.57 1.61 6.46 -0.68 -2.33 115.31 120.77 2bek h LEU 27 Ca -0.00 -0.56 -0.04 0.00 -0.12 0.00 0.00 57.88 57.16 2bek h LEU 27 Cb 0.95 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2bek h LEU 27 CO 0.04 1.36 0.21 0.00 -0.62 0.00 0.00 178.44 179.42 2bek h ALA 28 N 0.64 0.74 -0.52 1.25 0.00 -1.13 0.44 119.26 120.67 2bek h ALA 28 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2bek h ALA 28 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2bek h ALA 28 CO 0.13 0.37 0.30 0.00 0.00 0.00 0.00 179.25 180.06 2bek h ALA 29 N 1.06 0.67 0.00 0.00 0.00 -1.13 -0.39 119.26 119.47 2bek h ALA 29 Ca 0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2bek h ALA 29 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2bek h ALA 29 CO -0.01 -0.01 -0.55 1.88 0.00 0.00 0.00 179.25 180.56 2bek h TYR 30 N 0.59 0.00 -0.10 0.00 0.05 -1.24 -2.72 116.97 113.54 2bek h TYR 30 Ca 0.22 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.84 2bek h TYR 30 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2bek h TYR 30 CO -0.07 0.40 -0.60 -0.07 -1.05 0.00 0.00 178.16 176.77 2bek h LEU 31 N 0.00 0.37 -0.75 3.88 3.38 -0.63 -2.38 115.31 119.18 2bek h LEU 31 Ca -0.02 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2bek h LEU 31 Cb 1.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2bek h LEU 31 CO 0.05 0.88 -0.30 0.00 0.09 0.00 0.00 178.44 179.16 2bek h ALA 32 N 1.12 0.93 0.00 1.53 0.00 -1.03 -2.09 119.26 119.71 2bek h ALA 32 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bek h ALA 32 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bek h ALA 32 CO 0.10 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.50 2bek n ARG 33 N -4.08 0.01 -0.10 0.00 1.74 -1.03 -1.52 116.66 111.68 2bek n ARG 33 Ca -0.01 0.17 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 2bek n ARG 33 Cb 0.46 -1.52 0.33 0.00 -1.02 0.00 0.00 32.46 30.72 2bek n ARG 33 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2bek n LEU 34 N -1.53 2.13 0.00 0.55 4.77 -0.84 -4.91 117.00 117.17 2bek n LEU 34 Ca 0.05 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2bek n LEU 34 Cb 0.23 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2bek n LEU 34 CO 0.18 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2bek n GLY 35 N 1.23 0.69 3.88 -0.72 0.00 -0.58 -5.07 105.19 104.63 2bek n GLY 35 Ca 0.17 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2bek n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek s LYS 36 N -0.86 3.67 -0.40 1.61 -0.14 -0.88 -5.03 119.74 117.71 2bek s LYS 36 Ca 0.00 0.02 -0.22 0.00 -1.36 0.00 0.00 55.97 54.41 2bek s LYS 36 Cb 0.00 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 2bek s LYS 36 CO 0.00 0.55 0.74 1.03 -0.76 0.00 0.00 175.35 176.91 2bek s ARG 37 N -2.12 3.56 -0.04 1.68 0.52 -1.26 -4.23 118.95 117.06 2bek s ARG 37 Ca 0.34 0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.63 2bek s ARG 37 Cb -0.13 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 2bek s ARG 37 CO 0.20 -0.94 -0.18 0.08 0.02 0.00 0.00 175.30 174.47 2bek s VAL 38 N 3.05 2.70 -0.16 3.52 1.01 -1.26 -0.75 120.40 128.52 2bek s VAL 38 Ca 0.28 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2bek s VAL 38 Cb -0.13 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2bek s VAL 38 CO 0.19 0.59 -0.19 -0.22 0.00 0.00 0.00 175.10 175.47 2bek s LEU 39 N -0.67 2.27 -0.21 3.92 2.96 -0.70 -1.12 118.68 125.13 2bek s LEU 39 Ca 0.10 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2bek s LEU 39 Cb -0.11 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2bek s LEU 39 CO 0.00 0.06 0.02 -0.22 -1.32 0.00 0.00 176.35 174.89 2bek s LEU 40 N 0.94 3.34 -0.21 -0.68 2.96 0.68 -0.23 118.68 125.49 2bek s LEU 40 Ca -0.03 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 2bek s LEU 40 Cb -0.15 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2bek s LEU 40 CO -0.04 0.05 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.31 2bek s VAL 41 N 1.12 3.49 -0.46 1.68 1.01 0.50 -0.37 120.40 127.36 2bek s VAL 41 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2bek s VAL 41 Cb -0.14 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2bek s VAL 41 CO 0.02 0.43 0.61 -0.62 0.00 0.00 0.00 175.10 175.55 2bek s ASP 42 N 1.24 6.28 0.00 3.32 -1.08 -0.87 -1.08 116.67 124.48 2bek s ASP 42 Ca 0.03 -0.54 0.19 0.00 -0.52 0.00 0.00 52.55 51.72 2bek s ASP 42 Cb -0.14 -2.30 0.29 0.00 -1.46 0.00 0.00 42.92 39.31 2bek s ASP 42 CO -0.01 -0.79 1.24 0.18 0.52 0.00 0.00 175.17 176.31 2bek n LEU 43 N 6.17 2.99 -4.73 -1.34 4.77 -0.45 -4.00 117.00 120.41 2bek n LEU 43 Ca -0.04 -1.35 -0.40 0.00 -0.03 0.00 0.00 56.01 54.20 2bek n LEU 43 Cb 0.47 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2bek n LEU 43 CO 0.53 0.61 0.40 0.00 -1.33 0.00 0.00 177.39 177.60 2bek s ALA 44 N -1.42 3.36 0.52 -1.18 0.00 -1.23 -4.56 121.76 117.25 2bek s ALA 44 Ca 0.29 0.16 0.19 0.00 0.00 0.00 0.00 51.96 52.60 2bek s ALA 44 Cb 0.18 -2.94 1.31 0.00 0.00 0.00 0.00 23.12 21.68 2bek s ALA 44 CO 0.26 -0.02 2.10 -1.35 0.00 0.00 0.00 175.76 176.75 2bek h PRO 45 N 6.32 0.00 0.00 0.00 0.11 -1.93 0.55 132.00 137.05 2bek h PRO 45 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 2bek h PRO 45 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2bek h PRO 45 CO 0.73 0.00 -0.22 1.96 -0.21 0.00 0.00 178.00 180.27 2bek h GLN 46 N 0.00 0.00 -3.91 1.05 7.50 -1.95 -3.46 115.11 114.34 2bek h GLN 46 Ca 0.08 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 58.83 2bek h GLN 46 Cb 0.30 0.00 0.04 0.00 0.05 0.00 0.00 27.48 27.87 2bek h GLN 46 CO -0.00 0.22 -0.57 0.41 -1.50 0.00 0.00 178.83 177.39 2bek n GLY 47 N -0.89 -0.47 0.29 3.46 0.00 0.18 -4.93 105.19 102.84 2bek n GLY 47 Ca -0.02 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2bek n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bek h ASN 48 N -0.98 0.94 -1.01 1.61 2.35 -1.91 -1.54 115.58 115.04 2bek h ASN 48 Ca -0.50 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.04 2bek h ASN 48 Cb 1.35 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 2bek h ASN 48 CO 0.55 0.96 0.66 0.00 -1.65 0.00 0.00 177.43 177.94 2bek h ALA 49 N 1.02 1.37 -0.14 -0.83 0.00 -1.91 0.54 119.26 119.30 2bek h ALA 49 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2bek h ALA 49 Cb 0.41 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bek h ALA 49 CO 0.01 0.51 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 2bek h THR 50 N 1.23 1.28 -0.45 0.00 2.02 -1.83 -2.79 112.91 112.38 2bek h THR 50 Ca 0.42 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 2bek h THR 50 Cb 0.08 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2bek h THR 50 CO -0.15 0.27 -0.12 0.28 0.37 0.00 0.00 175.52 176.17 2bek h SER 51 N -0.03 0.82 0.44 4.18 0.02 -0.86 -1.63 113.55 116.48 2bek h SER 51 Ca 0.04 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bek h SER 51 Cb 0.42 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2bek h SER 51 CO 0.01 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2bek n GLY 52 N -0.39 -1.08 1.02 -3.77 0.00 0.18 -1.35 105.19 99.80 2bek n GLY 52 Ca 0.01 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2bek n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bek n LEU 53 N -2.16 3.64 -0.69 0.99 4.77 -0.97 -3.28 117.00 119.30 2bek n LEU 53 Ca 0.01 -2.21 -0.08 0.00 -0.03 0.00 0.00 56.01 53.69 2bek n LEU 53 Cb 0.15 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2bek n LEU 53 CO 0.15 0.80 -0.08 0.61 -1.33 0.00 0.00 177.39 177.54 2bek n GLY 54 N 0.77 0.87 3.68 -0.72 0.00 -0.45 -4.82 105.19 104.52 2bek n GLY 54 Ca 0.19 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2bek n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bek s VAL 55 N -2.33 4.30 -0.21 1.61 1.01 -0.65 -5.03 120.40 119.11 2bek s VAL 55 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2bek s VAL 55 Cb 0.00 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.63 2bek s VAL 55 CO 0.00 0.59 0.04 -0.60 0.00 0.00 0.00 175.10 175.13 2bek s ARG 56 N -0.93 0.67 0.22 2.72 3.52 -1.26 -3.95 118.95 119.94 2bek s ARG 56 Ca 0.14 -0.51 0.11 0.00 -0.13 0.00 0.00 55.73 55.33 2bek s ARG 56 Cb -0.11 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2bek s ARG 56 CO 0.03 -0.69 -0.20 0.00 -0.81 0.00 0.00 175.30 173.62 2bek s ALA 57 N 1.83 2.43 -0.16 6.12 0.00 -1.26 -5.02 121.76 125.70 2bek s ALA 57 Ca 0.00 -1.70 0.19 0.00 0.00 0.00 0.00 51.96 50.45 2bek s ALA 57 Cb -0.17 -0.24 -0.28 0.00 0.00 0.00 0.00 23.12 22.43 2bek s ALA 57 CO -0.11 0.29 0.47 -0.85 0.00 0.00 0.00 175.76 175.56 2bek n GLU 58 N -0.13 0.64 -4.82 0.00 0.28 -1.26 -4.76 120.64 110.59 2bek n GLU 58 Ca -0.09 -0.14 -0.25 0.00 -0.16 0.00 0.00 57.16 56.52 2bek n GLU 58 Cb 0.58 -1.43 -0.15 0.00 1.43 0.00 0.00 31.44 31.87 2bek n GLU 58 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2bek s ARG 59 N -3.21 1.46 0.00 3.44 0.52 -1.26 -4.96 118.95 114.95 2bek s ARG 59 Ca -0.05 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2bek s ARG 59 Cb 0.12 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.21 2bek s ARG 59 CO 0.78 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.85 2bek n GLY 60 N 2.76 3.26 0.36 -3.53 0.00 -1.26 -4.72 105.19 102.07 2bek n GLY 60 Ca -0.15 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2bek n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bek h VAL 61 N 0.00 0.87 -0.72 1.61 3.04 -1.38 -0.99 116.25 118.68 2bek h VAL 61 Ca 0.00 -0.12 0.04 0.00 -1.01 0.00 0.00 66.70 65.60 2bek h VAL 61 Cb 0.00 0.47 -0.05 0.00 -2.01 0.00 0.00 31.29 29.70 2bek h VAL 61 CO 0.00 0.07 0.45 0.22 -1.01 0.00 0.00 177.57 177.29 2bek h TYR 62 N 0.36 0.84 0.00 3.17 5.03 -1.94 -1.90 116.97 122.53 2bek h TYR 62 Ca 0.28 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.53 2bek h TYR 62 Cb 0.63 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 2bek h TYR 62 CO -0.00 0.47 -0.40 0.45 -1.32 0.00 0.00 178.16 177.35 2bek h HIS 63 N 0.87 0.00 -0.73 -3.82 -0.00 -1.58 -2.35 115.15 107.54 2bek h HIS 63 Ca 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.61 2bek h HIS 63 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 2bek h HIS 63 CO -0.04 0.40 0.25 1.25 -0.00 0.00 0.00 177.93 179.79 2bek h LEU 64 N 0.00 1.03 -1.67 2.43 5.85 -0.92 -0.22 115.31 121.81 2bek h LEU 64 Ca -0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2bek h LEU 64 Cb 0.93 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2bek h LEU 64 CO 0.05 0.94 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.02 2bek h LEU 65 N 1.07 0.00 -2.37 2.25 3.38 -0.89 -2.32 115.31 116.44 2bek h LEU 65 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2bek h LEU 65 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2bek h LEU 65 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 2bek n GLN 66 N -3.09 2.92 -0.19 1.13 1.13 -0.19 -4.92 117.38 114.16 2bek n GLN 66 Ca 0.00 -2.11 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 2bek n GLN 66 Cb 0.27 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2bek n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bek n GLY 67 N 1.01 0.61 3.75 1.08 0.00 -0.87 -5.05 105.19 105.72 2bek n GLY 67 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2bek n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bek s GLU 68 N -0.81 4.75 0.28 1.61 0.41 -0.61 -4.99 118.70 119.35 2bek s GLU 68 Ca 0.00 1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 55.85 2bek s GLU 68 Cb 0.00 -3.27 -0.11 0.00 -1.78 0.00 0.00 34.13 28.97 2bek s GLU 68 CO 0.00 0.35 1.56 -2.14 -0.49 0.00 0.00 175.26 174.54 2bek s PRO 69 N -1.02 4.15 0.17 0.39 0.02 -1.26 -4.37 135.00 133.09 2bek s PRO 69 Ca 0.44 2.51 -0.15 0.00 0.02 0.00 0.00 61.00 63.82 2bek s PRO 69 Cb -0.28 -3.04 0.13 0.00 0.02 0.00 0.00 34.50 31.33 2bek s PRO 69 CO 0.34 -0.58 1.73 1.25 -0.33 0.00 0.00 177.00 179.41 2bek h LEU 70 N 4.85 0.05 -1.29 -5.54 5.85 -1.92 -2.91 115.31 114.39 2bek h LEU 70 Ca -0.47 0.07 0.27 0.00 0.84 0.00 0.00 57.88 58.59 2bek h LEU 70 Cb 1.22 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.23 2bek h LEU 70 CO 0.79 0.06 0.66 -0.33 -0.34 0.00 0.00 178.44 179.28 2bek h GLU 71 N 0.25 0.40 -0.16 1.25 3.07 -1.94 0.76 114.58 118.21 2bek h GLU 71 Ca 0.21 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2bek h GLU 71 Cb 0.24 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2bek h GLU 71 CO -0.25 0.27 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 2bek n GLY 72 N -1.44 0.17 0.01 -3.84 0.00 -1.10 -4.03 105.19 94.95 2bek n GLY 72 Ca 0.26 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2bek n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bek n LEU 73 N 0.22 0.00 -4.81 0.99 4.77 0.25 -5.04 117.00 113.38 2bek n LEU 73 Ca 0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 2bek n LEU 73 Cb 0.30 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2bek n LEU 73 CO 0.12 0.01 0.68 0.68 -1.33 0.00 0.00 177.39 177.56 2bek s VAL 74 N -2.74 4.12 -0.06 4.08 -7.23 -1.12 -4.57 120.40 112.88 2bek s VAL 74 Ca -0.04 1.30 0.06 0.00 -1.81 0.00 0.00 61.98 61.48 2bek s VAL 74 Cb 0.07 -3.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 2bek s VAL 74 CO 0.46 -0.31 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.69 2bek s HIS 75 N -2.13 2.46 -0.04 2.82 3.76 -0.20 -4.91 115.29 117.05 2bek s HIS 75 Ca 0.64 -0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 54.53 2bek s HIS 75 Cb -0.12 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 2bek s HIS 75 CO 0.18 -0.22 0.97 -1.25 -0.85 0.00 0.00 174.74 173.57 2bek s PRO 76 N -0.13 4.50 -0.17 8.40 0.04 -1.26 -0.85 135.00 145.53 2bek s PRO 76 Ca -0.04 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 2bek s PRO 76 Cb -0.14 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 30.98 2bek s PRO 76 CO 0.04 -0.14 0.40 0.54 0.04 0.00 0.00 177.00 177.88 2bek s VAL 77 N 1.36 -0.21 -1.73 -0.36 0.11 0.34 -4.95 120.40 114.97 2bek s VAL 77 Ca 0.50 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 2bek s VAL 77 Cb -0.20 -0.60 0.16 0.00 -1.53 0.00 0.00 36.38 34.21 2bek s VAL 77 CO 0.24 0.05 0.67 -0.67 -3.33 0.00 0.00 175.10 172.06 2bek n ASP 78 N 4.62 -2.50 0.00 3.54 4.64 -1.26 -0.99 116.55 124.60 2bek n ASP 78 Ca -0.19 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.14 2bek n ASP 78 Cb 0.53 -2.41 0.00 0.00 -1.04 0.00 0.00 41.12 38.20 2bek n ASP 78 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2bek n GLY 79 N -1.41 1.30 2.10 0.27 0.00 -1.26 -4.84 105.19 101.34 2bek n GLY 79 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2bek n GLY 79 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bek n PHE 80 N -2.00 0.22 -4.48 1.61 -1.74 -0.16 -4.76 117.46 106.15 2bek n PHE 80 Ca 0.00 -1.60 -0.30 0.00 -0.56 0.00 0.00 57.45 54.99 2bek n PHE 80 Cb 0.00 -0.04 -0.12 0.00 1.52 0.00 0.00 39.48 40.84 2bek n PHE 80 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 2bek s HIS 81 N -2.41 2.58 -0.08 2.97 3.76 -0.27 -0.51 115.29 121.32 2bek s HIS 81 Ca 0.10 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 2bek s HIS 81 Cb 0.00 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.28 2bek s HIS 81 CO 0.07 0.32 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.91 2bek s LEU 82 N -1.78 1.96 -0.49 0.89 2.96 -0.03 -0.23 118.68 121.97 2bek s LEU 82 Ca 0.17 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 2bek s LEU 82 Cb -0.11 -1.22 0.12 0.00 0.50 0.00 0.00 46.19 45.49 2bek s LEU 82 CO 0.08 0.14 0.38 -0.22 -1.32 0.00 0.00 176.35 175.41 2bek s LEU 83 N 0.32 5.80 0.78 -0.68 0.20 0.50 -1.03 118.68 124.56 2bek s LEU 83 Ca -0.14 -1.85 -0.11 0.00 0.69 0.00 0.00 54.13 52.71 2bek s LEU 83 Cb -0.16 -2.06 0.06 0.00 -0.43 0.00 0.00 46.19 43.60 2bek s LEU 83 CO 0.06 -0.73 1.11 -2.16 -0.29 0.00 0.00 176.35 174.35 2bek s PRO 84 N 1.43 2.11 0.28 0.98 0.04 -1.26 -2.06 135.00 136.51 2bek s PRO 84 Ca 0.05 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 2bek s PRO 84 Cb -0.27 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2bek s PRO 84 CO 0.00 -1.78 0.60 0.00 0.04 0.00 0.00 177.00 175.87 2bek s ALA 85 N -2.70 3.53 0.19 8.56 0.00 -1.26 -1.19 121.76 128.89 2bek s ALA 85 Ca 0.64 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bek s ALA 85 Cb -0.20 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2bek s ALA 85 CO 0.53 0.36 0.09 0.95 0.00 0.00 0.00 175.76 177.69 2bek s THR 86 N -1.97 0.25 -0.65 0.00 -4.23 -1.26 -4.64 115.64 103.14 2bek s THR 86 Ca 0.48 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 2bek s THR 86 Cb -0.11 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.44 2bek s THR 86 CO 0.24 -0.17 1.26 -0.81 -0.54 0.00 0.00 174.62 174.61 2bek n PRO 87 N -0.27 0.06 0.26 3.99 -0.04 -1.26 -2.10 135.00 135.63 2bek n PRO 87 Ca -0.01 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 2bek n PRO 87 Cb 0.65 -1.70 0.69 0.00 -0.04 0.00 0.00 33.50 33.10 2bek n PRO 87 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2bek h ASP 88 N 0.00 0.00 0.32 3.54 5.19 -1.95 -2.96 116.42 120.56 2bek h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bek h ASP 88 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2bek h ASP 88 CO 0.00 0.11 0.00 -0.07 -3.12 0.00 0.00 179.24 176.16 2bek h LEU 89 N 0.00 0.00 0.15 1.55 3.38 -1.78 -1.61 115.31 117.00 2bek h LEU 89 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bek h LEU 89 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bek h LEU 89 CO 0.01 0.00 -0.07 0.58 0.09 0.00 0.00 178.44 179.05 2bek h VAL 90 N 0.00 0.91 0.00 1.22 2.07 -1.76 -2.67 116.25 116.01 2bek h VAL 90 Ca 0.00 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 2bek h VAL 90 Cb 0.16 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2bek h VAL 90 CO 0.00 0.06 -0.48 1.23 0.02 0.00 0.00 177.57 178.40 2bek h GLY 91 N -0.32 0.00 2.00 2.17 0.00 -1.61 -3.08 103.07 102.23 2bek h GLY 91 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2bek h GLY 91 CO 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.51 2bek h ALA 92 N 1.52 1.69 -0.17 3.60 0.00 -1.04 -1.46 119.26 123.40 2bek h ALA 92 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bek h ALA 92 Cb 0.97 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2bek h ALA 92 CO 0.06 0.08 0.08 1.15 0.00 0.00 0.00 179.25 180.62 2bek h THR 93 N 0.00 1.07 0.06 0.00 2.02 -1.38 -0.86 112.91 113.81 2bek h THR 93 Ca -0.00 -0.19 -0.30 0.00 0.77 0.00 0.00 66.41 66.69 2bek h THR 93 Cb 0.13 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2bek h THR 93 CO 0.01 0.08 -1.62 0.52 0.37 0.00 0.00 175.52 174.88 2bek n VAL 94 N -4.47 1.64 0.18 3.16 0.31 -0.66 -4.23 118.33 114.25 2bek n VAL 94 Ca -0.00 -0.31 0.10 0.00 -0.01 0.00 0.00 64.34 64.12 2bek n VAL 94 Cb 0.11 -1.90 0.63 0.00 -0.91 0.00 0.00 33.84 31.76 2bek n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2bek h GLU 95 N -0.53 0.05 -0.01 5.55 5.08 -1.16 -2.13 114.58 121.43 2bek h GLU 95 Ca -0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2bek h GLU 95 Cb 1.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2bek h GLU 95 CO -0.09 0.04 -0.06 1.28 -1.00 0.00 0.00 179.01 179.18 2bek n LEU 96 N -4.50 0.68 -4.69 1.33 4.77 -0.34 -4.84 117.00 109.41 2bek n LEU 96 Ca 0.01 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 2bek n LEU 96 Cb 0.20 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2bek n LEU 96 CO 0.35 0.12 1.44 0.00 -1.33 0.00 0.00 177.39 177.97 2bek n ALA 97 N -0.63 2.01 -0.59 -1.18 0.00 -0.81 -0.59 120.51 118.72 2bek n ALA 97 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2bek n ALA 97 Cb 0.26 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.16 2bek n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bek n GLY 98 N 4.15 0.90 2.44 0.00 0.00 -1.26 -4.95 105.19 106.47 2bek n GLY 98 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2bek n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bek n ALA 99 N -0.13 3.42 0.32 4.61 0.00 0.25 -4.93 120.51 124.04 2bek n ALA 99 Ca 0.00 -4.16 0.16 0.00 0.00 0.00 0.00 53.44 49.44 2bek n ALA 99 Cb 0.00 -0.84 0.63 0.00 0.00 0.00 0.00 19.45 19.24 2bek n ALA 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bek h PRO 100 N 3.62 0.00 -0.43 0.00 0.13 -1.91 -3.10 132.00 130.31 2bek h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2bek h PRO 100 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2bek h PRO 100 CO 0.68 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.70 2bek n THR 101 N -2.83 0.57 -0.10 1.56 -2.24 -1.26 -4.00 114.28 105.98 2bek n THR 101 Ca 0.01 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 2bek n THR 101 Cb 0.28 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 2bek n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bek h ALA 102 N 4.39 0.27 -0.26 6.98 0.00 -1.91 -1.75 119.26 126.97 2bek h ALA 102 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2bek h ALA 102 Cb 0.90 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2bek h ALA 102 CO 0.00 -0.43 0.08 1.25 0.00 0.00 0.00 179.25 180.15 2bek h LEU 103 N 0.05 0.39 -0.70 0.00 5.85 -1.85 -2.38 115.31 116.68 2bek h LEU 103 Ca 0.17 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2bek h LEU 103 Cb 0.24 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2bek h LEU 103 CO -0.31 0.50 0.28 -0.09 -0.34 0.00 0.00 178.44 178.48 2bek h ARG 104 N 0.26 0.43 0.00 1.25 2.43 -1.73 -0.01 114.38 117.02 2bek h ARG 104 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2bek h ARG 104 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2bek h ARG 104 CO -0.00 0.29 0.00 0.93 -1.51 0.00 0.00 179.97 179.68 2bek h GLU 105 N 0.45 0.00 0.00 0.20 4.39 -1.19 -3.23 114.58 115.20 2bek h GLU 105 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2bek h GLU 105 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2bek h GLU 105 CO -0.36 0.00 -1.69 0.00 -1.16 0.00 0.00 179.01 175.81 2bek n ALA 106 N -1.89 3.22 -2.40 3.43 0.00 -0.44 -4.81 120.51 117.62 2bek n ALA 106 Ca 0.04 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 2bek n ALA 106 Cb 0.39 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2bek n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bek n LEU 107 N -2.11 4.43 -3.97 0.00 4.77 -0.15 -4.85 117.00 115.12 2bek n LEU 107 Ca -0.02 -3.70 -0.43 0.00 -0.03 0.00 0.00 56.01 51.83 2bek n LEU 107 Cb 0.51 -1.74 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 2bek n LEU 107 CO 0.45 -0.41 1.93 0.54 -1.33 0.00 0.00 177.39 178.58 2bek n ARG 108 N 8.31 3.49 -0.86 3.23 1.74 -1.26 -4.69 116.66 126.62 2bek n ARG 108 Ca 0.48 -3.48 -0.01 0.00 -0.77 0.00 0.00 57.85 54.06 2bek n ARG 108 Cb 0.46 -3.00 0.29 0.00 -1.02 0.00 0.00 32.46 29.19 2bek n ARG 108 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bek n ASP 109 N 4.52 4.41 0.26 0.55 5.68 -1.26 -4.68 116.55 126.03 2bek n ASP 109 Ca 0.41 -3.23 0.14 0.00 -0.50 0.00 0.00 54.79 51.60 2bek n ASP 109 Cb 0.38 -0.68 0.72 0.00 -1.14 0.00 0.00 41.12 40.40 2bek n ASP 109 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2bek h GLU 110 N 2.37 0.00 0.00 0.11 9.09 -2.03 -0.17 114.58 123.95 2bek h GLU 110 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 2bek h GLU 110 Cb 2.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.13 2bek h GLU 110 CO 0.56 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.03 2bek n GLY 111 N -1.23 -1.21 3.74 1.06 0.00 -1.26 -4.82 105.19 101.47 2bek n GLY 111 Ca -0.02 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2bek n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bek s TYR 112 N -2.71 3.06 -0.03 1.61 2.02 -0.08 -4.97 117.35 116.26 2bek s TYR 112 Ca 0.21 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.74 2bek s TYR 112 Cb 0.17 -1.52 -0.32 0.00 -0.40 0.00 0.00 41.96 39.89 2bek s TYR 112 CO 0.41 0.51 0.79 -0.44 -1.57 0.00 0.00 175.55 175.25 2bek h ASP 113 N 2.98 0.66 -4.37 2.29 3.32 -1.24 -3.47 116.42 116.59 2bek h ASP 113 Ca -0.47 -0.92 -0.24 0.00 0.02 0.00 0.00 57.03 55.41 2bek h ASP 113 Cb 1.18 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 2bek h ASP 113 CO 0.62 1.71 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.36 2bek s LEU 114 N -7.50 2.13 -0.08 1.55 1.43 -0.99 -4.73 118.68 110.48 2bek s LEU 114 Ca -0.14 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2bek s LEU 114 Cb 0.04 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.23 2bek s LEU 114 CO 0.87 -0.12 -0.11 -0.69 0.23 0.00 0.00 176.35 176.53 2bek s VAL 115 N -0.76 1.09 -0.14 -1.59 1.01 0.15 -1.72 120.40 118.44 2bek s VAL 115 Ca -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2bek s VAL 115 Cb -0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2bek s VAL 115 CO -0.00 0.36 -0.02 -0.76 0.00 0.00 0.00 175.10 174.68 2bek s LEU 116 N 1.03 3.37 -0.26 3.92 1.43 0.68 -0.19 118.68 128.67 2bek s LEU 116 Ca -0.08 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2bek s LEU 116 Cb -0.15 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2bek s LEU 116 CO -0.01 0.21 -0.04 -0.76 0.23 0.00 0.00 176.35 175.99 2bek s LEU 117 N 0.10 3.32 -0.36 1.79 1.43 0.47 -0.37 118.68 125.06 2bek s LEU 117 Ca 0.00 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 2bek s LEU 117 Cb -0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2bek s LEU 117 CO 0.02 -0.14 0.57 -0.62 0.23 0.00 0.00 176.35 176.41 2bek s ASP 118 N 1.35 6.35 0.15 2.29 2.15 -0.24 -0.25 116.67 128.47 2bek s ASP 118 Ca 0.00 -0.02 0.03 0.00 0.43 0.00 0.00 52.55 52.99 2bek s ASP 118 Cb -0.17 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2bek s ASP 118 CO -0.03 -0.56 0.25 0.00 -0.17 0.00 0.00 175.17 174.66 2bek s ALA 119 N 2.55 3.89 0.75 3.66 0.00 -0.98 -1.34 121.76 130.29 2bek s ALA 119 Ca 0.21 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2bek s ALA 119 Cb -0.15 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.31 2bek s ALA 119 CO 0.15 0.54 1.08 -1.25 0.00 0.00 0.00 175.76 176.28 2bek s PRO 120 N -3.20 2.49 -1.16 0.00 0.04 -1.26 -4.83 135.00 127.09 2bek s PRO 120 Ca 0.34 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 2bek s PRO 120 Cb -0.11 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2bek s PRO 120 CO 0.27 -1.35 2.00 -0.35 0.04 0.00 0.00 177.00 177.62 2bek n PRO 121 N -3.26 2.28 -3.89 0.56 -0.04 -1.26 -4.73 135.00 124.66 2bek n PRO 121 Ca 0.07 -2.44 -0.01 0.00 -0.04 0.00 0.00 63.50 61.09 2bek n PRO 121 Cb 0.56 -3.26 0.01 0.00 -0.04 0.00 0.00 33.50 30.77 2bek n PRO 121 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bek s SER 122 N 4.43 -0.01 -0.35 3.54 1.04 -1.26 -4.77 113.70 116.33 2bek s SER 122 Ca 0.55 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.59 2bek s SER 122 Cb 0.11 0.34 0.46 0.00 0.10 0.00 0.00 66.02 67.03 2bek s SER 122 CO 0.04 -0.68 1.32 -0.11 0.98 0.00 0.00 173.24 174.79 2bek n LEU 123 N -0.74 5.32 -4.77 2.42 -0.00 -1.26 -4.60 117.00 113.38 2bek n LEU 123 Ca -0.01 -4.67 -0.29 0.00 -0.00 0.00 0.00 56.01 51.04 2bek n LEU 123 Cb 0.59 -0.44 0.18 0.00 -0.00 0.00 0.00 43.42 43.75 2bek n LEU 123 CO 0.18 2.00 0.73 -0.94 -0.00 0.00 0.00 177.39 179.35 2bek s SER 124 N -3.32 2.67 0.53 1.96 1.04 -1.26 -4.71 113.70 110.61 2bek s SER 124 Ca 0.53 0.71 0.21 0.00 0.48 0.00 0.00 55.95 57.88 2bek s SER 124 Cb 0.42 -1.07 1.37 0.00 0.10 0.00 0.00 66.02 66.84 2bek s SER 124 CO 0.03 -3.05 2.08 -0.65 0.98 0.00 0.00 173.24 172.63 2bek h PRO 125 N -1.84 0.00 -0.33 4.02 0.11 -1.91 -0.51 132.00 131.55 2bek h PRO 125 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2bek h PRO 125 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2bek h PRO 125 CO 0.48 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.18 2bek h LEU 126 N 0.00 0.58 -0.53 2.35 3.38 -1.88 0.14 115.31 119.36 2bek h LEU 126 Ca 0.12 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2bek h LEU 126 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2bek h LEU 126 CO -0.00 0.77 -0.09 0.74 0.09 0.00 0.00 178.44 179.95 2bek h THR 127 N 0.38 1.27 -0.83 0.22 2.02 -1.60 -2.16 112.91 112.21 2bek h THR 127 Ca 0.09 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2bek h THR 127 Cb 0.49 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2bek h THR 127 CO 0.02 0.43 0.45 -0.07 0.37 0.00 0.00 175.52 176.73 2bek h LEU 128 N 0.87 1.03 -0.95 2.58 3.38 -0.97 -0.77 115.31 120.47 2bek h LEU 128 Ca 0.14 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2bek h LEU 128 Cb 0.65 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2bek h LEU 128 CO 0.04 0.83 0.03 0.78 0.09 0.00 0.00 178.44 180.21 2bek h ASN 129 N 1.16 0.76 -0.27 -0.43 2.35 -0.76 0.23 115.58 118.62 2bek h ASN 129 Ca 0.29 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2bek h ASN 129 Cb 0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2bek h ASN 129 CO -0.05 0.80 0.07 0.00 -1.65 0.00 0.00 177.43 176.61 2bek h ALA 130 N 1.28 0.35 -0.09 -0.83 0.00 -0.64 -1.87 119.26 117.46 2bek h ALA 130 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2bek h ALA 130 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bek h ALA 130 CO 0.01 -0.00 -0.36 -0.07 0.00 0.00 0.00 179.25 178.83 2bek h LEU 131 N 0.26 0.19 -0.57 0.00 3.38 -0.92 -1.17 115.31 116.49 2bek h LEU 131 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2bek h LEU 131 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2bek h LEU 131 CO -0.00 0.55 -0.23 0.00 0.09 0.00 0.00 178.44 178.84 2bek h ALA 132 N 1.47 0.91 0.00 1.53 0.00 -0.80 -3.25 119.26 119.12 2bek h ALA 132 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2bek h ALA 132 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2bek h ALA 132 CO 0.05 0.29 -1.71 0.00 0.00 0.00 0.00 179.25 177.89 2bek n ALA 133 N -2.18 2.42 -1.89 0.00 0.00 -0.72 -4.85 120.51 113.30 2bek n ALA 133 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 2bek n ALA 133 Cb 0.53 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.22 2bek n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bek s ALA 134 N -3.25 2.93 -0.07 0.00 0.00 -0.47 -4.86 121.76 116.05 2bek s ALA 134 Ca -0.06 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.65 2bek s ALA 134 Cb 0.11 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 2bek s ALA 134 CO 0.85 -1.08 0.02 0.39 0.00 0.00 0.00 175.76 175.95 2bek n GLU 135 N -2.97 2.68 -4.22 0.00 4.71 -0.28 -4.57 120.64 116.00 2bek n GLU 135 Ca 0.07 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.05 2bek n GLU 135 Cb 0.57 -1.19 -0.11 0.00 -1.01 0.00 0.00 31.44 29.70 2bek n GLU 135 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2bek s GLY 136 N -3.94 0.99 -0.06 0.62 0.00 -0.82 -1.36 107.32 102.75 2bek s GLY 136 Ca -0.04 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.46 2bek s GLY 136 CO 0.29 -1.31 -0.12 0.14 0.00 0.00 0.00 173.10 172.10 2bek s VAL 137 N -2.20 1.15 -0.22 1.40 1.01 -0.34 -1.53 120.40 119.68 2bek s VAL 137 Ca 0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2bek s VAL 137 Cb -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2bek s VAL 137 CO 0.02 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 174.82 2bek s VAL 138 N 0.64 4.11 -0.44 2.92 1.01 -0.37 -0.16 120.40 128.11 2bek s VAL 138 Ca -0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2bek s VAL 138 Cb -0.16 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.43 2bek s VAL 138 CO 0.04 0.39 0.29 -0.69 0.00 0.00 0.00 175.10 175.13 2bek s VAL 139 N 1.23 4.14 0.03 2.92 1.01 -0.29 -2.85 120.40 126.60 2bek s VAL 139 Ca 0.04 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 2bek s VAL 139 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2bek s VAL 139 CO 0.02 -0.62 1.22 -2.84 0.00 0.00 0.00 175.10 172.88 2bek s PRO 140 N 1.38 4.40 -0.22 2.72 0.02 -1.26 -0.96 135.00 141.08 2bek s PRO 140 Ca 0.04 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2bek s PRO 140 Cb -0.24 -3.41 0.06 0.00 0.02 0.00 0.00 34.50 30.93 2bek s PRO 140 CO 0.01 -0.33 -0.06 0.08 -0.33 0.00 0.00 177.00 176.37 2bek s VAL 141 N 1.42 1.46 0.33 3.83 1.01 0.12 -4.89 120.40 123.69 2bek s VAL 141 Ca 0.59 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2bek s VAL 141 Cb -0.29 -1.70 -0.11 0.00 0.00 0.00 0.00 36.38 34.28 2bek s VAL 141 CO 0.27 -0.05 1.53 -1.58 0.00 0.00 0.00 175.10 175.28 2bek s GLN 142 N 1.44 4.13 -0.46 2.72 0.74 -1.26 -1.41 119.66 125.56 2bek s GLN 142 Ca -0.04 2.55 -0.05 0.00 0.05 0.00 0.00 55.36 57.87 2bek s GLN 142 Cb -0.18 -3.00 -0.11 0.00 1.10 0.00 0.00 33.01 30.81 2bek s GLN 142 CO -0.07 -0.56 2.32 0.00 -0.55 0.00 0.00 175.29 176.43 2bek n ALA 143 N 1.36 4.63 -2.31 1.58 0.00 -0.59 -4.37 120.51 120.80 2bek n ALA 143 Ca 0.05 -1.60 -0.15 0.00 0.00 0.00 0.00 53.44 51.74 2bek n ALA 143 Cb 0.38 -2.63 -0.09 0.00 0.00 0.00 0.00 19.45 17.11 2bek n ALA 143 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bek s GLU 144 N 2.46 1.46 0.06 0.00 2.02 -1.26 -3.90 118.70 119.54 2bek s GLU 144 Ca 0.42 -1.77 -0.36 0.00 0.02 0.00 0.00 54.97 53.28 2bek s GLU 144 Cb 0.16 0.31 -0.20 0.00 0.10 0.00 0.00 34.13 34.49 2bek s GLU 144 CO -0.02 -0.52 1.58 -0.92 0.02 0.00 0.00 175.26 175.40 2bek h TYR 145 N 2.40 -1.14 -0.72 1.61 3.20 -1.93 -2.70 116.97 117.68 2bek h TYR 145 Ca -0.31 -0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.67 2bek h TYR 145 Cb 1.24 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 39.79 2bek h TYR 145 CO 0.92 -0.71 0.27 1.88 -1.64 0.00 0.00 178.16 178.88 2bek h TYR 146 N -1.23 0.45 -0.66 -3.82 0.05 -1.99 0.68 116.97 110.44 2bek h TYR 146 Ca -0.13 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2bek h TYR 146 Cb 0.94 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 2bek h TYR 146 CO -0.01 0.04 0.32 0.00 -1.05 0.00 0.00 178.16 177.46 2bek h ALA 147 N 1.53 0.86 -0.65 3.88 0.00 -1.81 -2.60 119.26 120.46 2bek h ALA 147 Ca 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2bek h ALA 147 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2bek h ALA 147 CO -0.40 0.42 0.33 1.25 0.00 0.00 0.00 179.25 180.85 2bek h LEU 148 N 0.92 0.84 -2.11 0.00 5.85 -0.85 -2.81 115.31 117.15 2bek h LEU 148 Ca 0.23 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2bek h LEU 148 Cb 0.12 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2bek h LEU 148 CO -0.03 0.72 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.69 2bek h GLU 149 N 0.90 0.00 0.00 1.25 4.22 -0.55 -2.87 114.58 117.52 2bek h GLU 149 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 2bek h GLU 149 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2bek h GLU 149 CO -0.03 0.03 -0.49 0.41 -2.18 0.00 0.00 179.01 176.75 2bek n GLY 150 N -1.35 -1.28 0.11 1.92 0.00 -1.05 -4.41 105.19 99.12 2bek n GLY 150 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2bek n GLY 150 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bek h VAL 151 N 0.00 0.81 -0.31 1.61 2.07 -1.50 -0.66 116.25 118.26 2bek h VAL 151 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2bek h VAL 151 Cb 0.53 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2bek h VAL 151 CO 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.47 2bek h ALA 152 N 1.11 0.13 -0.63 1.67 0.00 -1.79 0.12 119.26 119.87 2bek h ALA 152 Ca 0.08 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2bek h ALA 152 Cb 0.15 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2bek h ALA 152 CO -0.17 -0.51 0.15 0.78 0.00 0.00 0.00 179.25 179.50 2bek h GLY 153 N -0.07 1.06 0.96 0.00 0.00 -1.79 -2.37 103.07 100.87 2bek h GLY 153 Ca 0.16 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2bek h GLY 153 CO -0.36 0.60 0.17 -2.00 0.00 0.00 0.00 176.54 174.96 2bek h LEU 154 N 0.94 0.65 -1.12 3.11 6.46 -0.18 -1.80 115.31 123.37 2bek h LEU 154 Ca 0.20 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 2bek h LEU 154 Cb 0.34 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2bek h LEU 154 CO 0.00 0.65 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.35 2bek h LEU 155 N 0.61 0.53 -0.60 2.25 3.38 -0.62 -1.80 115.31 119.05 2bek h LEU 155 Ca 0.15 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2bek h LEU 155 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2bek h LEU 155 CO -0.01 0.64 -0.15 0.00 0.09 0.00 0.00 178.44 179.01 2bek h ALA 156 N 1.43 0.80 -0.71 1.53 0.00 -1.16 -2.40 119.26 118.75 2bek h ALA 156 Ca 0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2bek h ALA 156 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2bek h ALA 156 CO 0.02 0.66 0.28 1.15 0.00 0.00 0.00 179.25 181.36 2bek h THR 157 N 0.84 1.25 -0.24 0.00 2.02 -0.86 -1.09 112.91 114.83 2bek h THR 157 Ca 0.12 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 2bek h THR 157 Cb 0.70 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2bek h THR 157 CO 0.05 0.31 0.06 -0.07 0.37 0.00 0.00 175.52 176.24 2bek h LEU 158 N 1.01 0.31 -0.51 2.58 3.38 -1.12 -0.87 115.31 120.09 2bek h LEU 158 Ca 0.24 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 2bek h LEU 158 Cb 0.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2bek h LEU 158 CO -0.02 0.31 -0.43 -0.33 0.09 0.00 0.00 178.44 178.07 2bek h GLU 159 N 0.34 0.74 -0.77 1.13 4.39 -0.83 -1.07 114.58 118.51 2bek h GLU 159 Ca 0.08 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 2bek h GLU 159 Cb 0.13 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2bek h GLU 159 CO -0.00 1.02 0.33 0.93 -1.16 0.00 0.00 179.01 180.13 2bek h GLU 160 N 0.60 1.13 -0.06 2.33 5.08 0.01 -0.35 114.58 123.33 2bek h GLU 160 Ca 0.04 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2bek h GLU 160 Cb 0.98 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2bek h GLU 160 CO 0.09 0.90 0.01 0.28 -1.00 0.00 0.00 179.01 179.29 2bek h VAL 161 N 1.11 1.22 0.00 3.13 2.07 -0.98 -2.49 116.25 120.31 2bek h VAL 161 Ca 0.26 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2bek h VAL 161 Cb 0.18 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2bek h VAL 161 CO -0.03 0.19 0.00 -1.14 0.02 0.00 0.00 177.57 176.62 2bek n ARG 162 N -4.89 0.14 0.10 1.57 0.63 -0.43 -1.01 116.66 112.78 2bek n ARG 162 Ca -0.07 0.48 -0.03 0.00 -0.92 0.00 0.00 57.85 57.31 2bek n ARG 162 Cb 0.17 -1.83 0.20 0.00 0.45 0.00 0.00 32.46 31.45 2bek n ARG 162 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bek h ALA 163 N 2.19 1.05 0.00 5.13 0.00 -0.58 -3.27 119.26 123.79 2bek h ALA 163 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bek h ALA 163 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bek h ALA 163 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2bek n GLY 164 N -0.06 -0.07 0.31 0.00 0.00 -1.06 -4.91 105.19 99.41 2bek n GLY 164 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2bek n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bek h LEU 165 N 0.00 0.98 -5.73 0.99 6.46 -1.55 -3.39 115.31 113.06 2bek h LEU 165 Ca 0.00 -0.12 -0.31 0.00 -0.12 0.00 0.00 57.88 57.34 2bek h LEU 165 Cb 0.00 -0.25 -0.25 0.00 -0.73 0.00 0.00 40.66 39.43 2bek h LEU 165 CO 0.00 0.82 -0.66 0.21 -0.62 0.00 0.00 178.44 178.18 2bek s ASN 166 N -6.14 -0.17 0.58 1.25 2.47 -0.18 -4.93 114.94 107.83 2bek s ASN 166 Ca -0.13 -2.00 0.28 0.00 0.42 0.00 0.00 52.86 51.44 2bek s ASN 166 Cb 0.15 1.00 1.54 0.00 -1.45 0.00 0.00 41.25 42.49 2bek s ASN 166 CO 0.81 -0.13 1.99 -0.65 -3.72 0.00 0.00 177.10 175.40 2bek h PRO 167 N 5.75 0.00 -0.04 0.43 0.11 -1.77 -1.63 132.00 134.85 2bek h PRO 167 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2bek h PRO 167 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2bek h PRO 167 CO 0.15 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.83 2bek n ARG 168 N -3.82 1.66 -2.30 1.05 1.85 -1.26 -4.90 116.66 108.95 2bek n ARG 168 Ca 0.06 -0.97 -0.42 0.00 -1.00 0.00 0.00 57.85 55.52 2bek n ARG 168 Cb 0.52 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 2bek n ARG 168 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2bek s LEU 169 N -1.92 4.39 0.05 2.89 2.96 -0.61 -4.77 118.68 121.66 2bek s LEU 169 Ca 0.37 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 2bek s LEU 169 Cb 0.20 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 2bek s LEU 169 CO 0.32 -0.53 -0.05 0.00 -1.32 0.00 0.00 176.35 174.78 2bek s ARG 170 N 0.72 0.57 -0.32 1.98 3.03 -0.47 -4.83 118.95 119.63 2bek s ARG 170 Ca 0.60 -1.00 -0.29 0.00 2.03 0.00 0.00 55.73 57.07 2bek s ARG 170 Cb -0.34 -0.01 0.01 0.00 -1.03 0.00 0.00 34.95 33.59 2bek s ARG 170 CO 0.32 -0.04 1.15 -1.17 -1.13 0.00 0.00 175.30 174.42 2bek s LEU 171 N -2.31 3.90 0.09 -1.89 2.96 -1.26 -1.19 118.68 118.98 2bek s LEU 171 Ca -0.01 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 2bek s LEU 171 Cb -0.01 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.95 2bek s LEU 171 CO -0.04 -0.96 1.23 0.25 -1.32 0.00 0.00 176.35 175.50 2bek h LEU 172 N 10.37 0.81 0.00 -0.68 5.85 -0.88 -3.45 115.31 127.33 2bek h LEU 172 Ca -0.22 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2bek h LEU 172 Cb 1.07 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2bek h LEU 172 CO 1.04 1.45 0.00 0.61 -0.34 0.00 0.00 178.44 181.20 2bek n GLY 173 N 1.04 1.86 3.61 3.75 0.00 -1.04 -5.00 105.19 109.40 2bek n GLY 173 Ca -0.10 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 2bek n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bek s ILE 174 N -2.00 5.16 -0.26 -0.61 1.01 0.68 -1.14 121.20 124.04 2bek s ILE 174 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 2bek s ILE 174 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2bek s ILE 174 CO 0.00 0.32 0.06 -0.22 0.00 0.00 0.00 174.94 175.10 2bek s LEU 175 N 1.31 3.52 -0.08 2.97 2.96 -0.13 -0.67 118.68 128.55 2bek s LEU 175 Ca 0.07 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.26 2bek s LEU 175 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2bek s LEU 175 CO 0.06 -0.09 1.18 -0.69 -1.32 0.00 0.00 176.35 175.48 2bek s VAL 176 N 1.55 4.35 0.36 1.68 1.01 -1.26 0.14 120.40 128.23 2bek s VAL 176 Ca 0.05 1.66 0.07 0.00 0.00 0.00 0.00 61.98 63.75 2bek s VAL 176 Cb -0.16 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2bek s VAL 176 CO 0.02 -0.03 -0.01 0.42 0.00 0.00 0.00 175.10 175.51 2bek s THR 177 N 2.41 1.80 -1.45 3.92 -4.23 -0.50 -1.08 115.64 116.50 2bek s THR 177 Ca 0.54 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2bek s THR 177 Cb -0.23 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.81 2bek s THR 177 CO 0.20 -0.08 0.23 0.23 -0.54 0.00 0.00 174.62 174.65 2bek n MET 178 N -0.81 -1.38 -3.27 3.99 2.81 -0.81 -1.55 117.12 116.10 2bek n MET 178 Ca -0.04 0.17 -0.39 0.00 -1.81 0.00 0.00 57.70 55.62 2bek n MET 178 Cb 0.66 -3.66 -0.07 0.00 -0.71 0.00 0.00 33.22 29.44 2bek n MET 178 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2bek s TYR 179 N -4.13 3.30 -0.47 2.03 5.04 -0.51 -4.26 117.35 118.35 2bek s TYR 179 Ca 0.09 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.34 2bek s TYR 179 Cb -0.05 -2.67 0.12 0.00 0.35 0.00 0.00 41.96 39.71 2bek s TYR 179 CO 0.97 -0.20 0.29 0.34 -1.34 0.00 0.00 175.55 175.61 2bek s ASP 180 N 1.39 5.35 0.43 4.32 -1.08 -1.26 -0.91 116.67 124.91 2bek s ASP 180 Ca 0.21 -2.21 0.23 0.00 -0.52 0.00 0.00 52.55 50.26 2bek s ASP 180 Cb -0.15 -1.87 1.23 0.00 -1.46 0.00 0.00 42.92 40.66 2bek s ASP 180 CO 0.09 -0.53 1.65 1.23 0.52 0.00 0.00 175.17 178.13 2bek h GLY 181 N 7.88 0.00 2.00 2.66 0.00 -1.96 -0.92 103.07 112.73 2bek h GLY 181 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2bek h GLY 181 CO 0.73 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.48 2bek h ARG 182 N 0.00 0.00 -5.83 4.80 3.08 -2.02 -3.45 114.38 110.97 2bek h ARG 182 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2bek h ARG 182 Cb 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 2bek h ARG 182 CO 0.00 0.00 -0.35 0.95 -1.07 0.00 0.00 179.97 179.50 2bek s THR 183 N -3.21 5.28 0.29 2.04 -4.23 -0.35 -4.99 115.64 110.48 2bek s THR 183 Ca 0.08 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 2bek s THR 183 Cb 0.10 -3.55 0.13 0.00 1.34 0.00 0.00 72.50 70.51 2bek s THR 183 CO 0.58 0.58 1.80 -0.07 -0.54 0.00 0.00 174.62 176.97 2bek h LEU 184 N 4.77 0.63 -0.15 4.79 3.38 -1.86 -2.95 115.31 123.91 2bek h LEU 184 Ca -0.53 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.33 2bek h LEU 184 Cb 1.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2bek h LEU 184 CO 0.60 0.71 -0.04 0.25 0.09 0.00 0.00 178.44 180.05 2bek h LEU 185 N 0.62 -0.16 -0.77 1.67 5.85 -1.92 0.13 115.31 120.72 2bek h LEU 185 Ca 0.12 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2bek h LEU 185 Cb 0.43 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2bek h LEU 185 CO 0.02 -0.06 0.49 0.00 -0.34 0.00 0.00 178.44 178.55 2bek h ALA 186 N 1.13 1.00 -0.27 1.25 0.00 -1.64 0.70 119.26 121.42 2bek h ALA 186 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bek h ALA 186 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bek h ALA 186 CO -0.16 0.32 0.11 1.96 0.00 0.00 0.00 179.25 181.48 2bek h GLN 187 N 0.98 0.40 -0.55 0.00 4.20 -1.26 -1.74 115.11 117.14 2bek h GLN 187 Ca 0.30 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 2bek h GLN 187 Cb -0.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2bek h GLN 187 CO -0.10 0.44 0.13 1.96 -0.67 0.00 0.00 178.83 180.59 2bek h GLN 188 N 0.28 0.85 -0.23 1.46 4.20 -0.35 -1.59 115.11 119.73 2bek h GLN 188 Ca 0.09 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2bek h GLN 188 Cb 0.18 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2bek h GLN 188 CO -0.01 0.77 -0.12 0.28 -0.67 0.00 0.00 178.83 179.09 2bek h VAL 189 N 0.82 1.30 -0.86 -0.54 2.07 -0.70 -1.34 116.25 117.00 2bek h VAL 189 Ca 0.18 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2bek h VAL 189 Cb 0.31 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2bek h VAL 189 CO 0.00 0.37 0.41 -0.08 0.02 0.00 0.00 177.57 178.29 2bek h GLU 190 N 0.20 1.23 -0.31 1.57 4.81 -1.21 -1.85 114.58 119.02 2bek h GLU 190 Ca 0.05 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2bek h GLU 190 Cb 0.62 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2bek h GLU 190 CO 0.04 0.94 0.20 0.00 -0.73 0.00 0.00 179.01 179.46 2bek h ALA 191 N 1.23 0.39 -0.73 2.92 0.00 -1.14 -1.04 119.26 120.89 2bek h ALA 191 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2bek h ALA 191 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2bek h ALA 191 CO -0.04 -0.15 0.32 1.96 0.00 0.00 0.00 179.25 181.34 2bek h GLN 192 N 0.41 1.06 -0.55 0.00 4.20 -0.99 -0.31 115.11 118.93 2bek h GLN 192 Ca 0.12 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2bek h GLN 192 Cb -0.03 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2bek h GLN 192 CO -0.03 0.85 0.19 -0.07 -0.67 0.00 0.00 178.83 179.10 2bek h LEU 193 N 1.03 0.78 -0.63 1.46 3.38 -1.01 -1.59 115.31 118.73 2bek h LEU 193 Ca 0.25 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2bek h LEU 193 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2bek h LEU 193 CO -0.03 0.76 -0.67 0.03 0.09 0.00 0.00 178.44 178.62 2bek h ARG 194 N 0.75 0.07 -0.29 1.13 3.08 -1.01 -0.67 114.38 117.44 2bek h ARG 194 Ca 0.18 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2bek h ARG 194 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2bek h ARG 194 CO -0.01 0.72 -0.11 0.00 -1.07 0.00 0.00 179.97 179.50 2bek h ALA 195 N 1.27 0.40 0.17 0.04 0.00 -0.84 0.36 119.26 120.65 2bek h ALA 195 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 2bek h ALA 195 Cb 1.20 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2bek h ALA 195 CO 0.09 0.26 -1.43 0.45 0.00 0.00 0.00 179.25 178.62 2bek h HIS 196 N 0.34 0.64 -0.01 0.00 3.86 -1.30 -3.39 115.15 115.28 2bek h HIS 196 Ca 0.07 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2bek h HIS 196 Cb 0.61 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2bek h HIS 196 CO 0.06 1.42 -0.19 1.19 0.86 0.00 0.00 177.93 181.27 2bek n PHE 197 N -3.56 0.00 0.00 2.45 3.72 -0.26 -5.06 117.46 114.74 2bek n PHE 197 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2bek n PHE 197 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 2bek n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bek n GLY 198 N 0.86 2.58 0.22 1.37 0.00 0.11 -1.44 105.19 108.89 2bek n GLY 198 Ca 0.04 0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.48 2bek n GLY 198 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bek h GLU 199 N 0.00 0.00 0.00 1.61 4.81 -1.95 -1.95 114.58 117.10 2bek h GLU 199 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2bek h GLU 199 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2bek h GLU 199 CO 0.00 0.00 -0.25 0.87 -0.73 0.00 0.00 179.01 178.90 2bek h LYS 200 N 0.00 0.00 -6.19 1.92 1.57 -1.64 -3.42 116.57 108.82 2bek h LYS 200 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2bek h LYS 200 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2bek h LYS 200 CO 0.00 0.25 0.42 0.08 -0.57 0.00 0.00 179.45 179.63 2bek s VAL 201 N -4.30 4.86 0.67 0.50 1.01 -0.74 -0.23 120.40 122.17 2bek s VAL 201 Ca -0.03 1.87 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 2bek s VAL 201 Cb 0.14 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2bek s VAL 201 CO 0.68 0.08 1.15 0.49 0.00 0.00 0.00 175.10 177.50 2bek n PHE 202 N 4.65 1.40 -0.06 5.22 3.72 0.15 -4.87 117.46 127.67 2bek n PHE 202 Ca 0.06 0.42 -0.13 0.00 -0.05 0.00 0.00 57.45 57.75 2bek n PHE 202 Cb 0.50 -2.19 -0.06 0.00 -0.94 0.00 0.00 39.48 36.78 2bek n PHE 202 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 2bek h TRP 203 N 0.23 0.44 -3.33 1.38 4.06 -1.93 -3.44 115.95 113.36 2bek h TRP 203 Ca -0.49 -0.12 -0.52 0.00 2.06 0.00 0.00 58.89 59.81 2bek h TRP 203 Cb 1.34 -0.10 0.04 0.00 -1.00 0.00 0.00 29.16 29.45 2bek h TRP 203 CO 0.40 0.72 0.71 0.99 -3.56 0.00 0.00 178.44 177.70 2bek s THR 204 N -4.45 2.98 -0.07 1.49 2.01 -1.26 -5.02 115.64 111.31 2bek s THR 204 Ca -0.14 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.71 2bek s THR 204 Cb 0.06 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 2bek s THR 204 CO 0.75 0.12 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.89 2bek s VAL 205 N 0.18 2.32 -0.34 3.82 1.01 -1.26 -4.52 120.40 121.60 2bek s VAL 205 Ca 0.59 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2bek s VAL 205 Cb -0.39 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2bek s VAL 205 CO 0.39 0.57 0.77 -0.63 0.00 0.00 0.00 175.10 176.20 2bek s ILE 206 N -0.12 4.77 0.50 2.22 -1.09 -0.24 -4.90 121.20 122.33 2bek s ILE 206 Ca -0.04 0.99 -0.19 0.00 -2.23 0.00 0.00 60.65 59.17 2bek s ILE 206 Cb -0.14 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 2bek s ILE 206 CO 0.04 -0.34 1.02 -2.16 -1.23 0.00 0.00 174.94 172.26 2bek s PRO 207 N 3.00 3.83 -0.03 2.79 0.04 -1.26 -1.42 135.00 141.95 2bek s PRO 207 Ca 0.31 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2bek s PRO 207 Cb -0.14 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2bek s PRO 207 CO 0.15 -0.39 1.25 0.50 0.04 0.00 0.00 177.00 178.56 2bek s ARG 208 N -3.47 4.34 -0.21 4.56 3.52 -0.08 -4.54 118.95 123.07 2bek s ARG 208 Ca 0.64 1.76 -0.10 0.00 -0.13 0.00 0.00 55.73 57.90 2bek s ARG 208 Cb -0.14 -3.55 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 2bek s ARG 208 CO 0.23 -0.47 0.50 1.21 -0.81 0.00 0.00 175.30 175.96 2bek s ASN 209 N 1.56 -0.62 0.61 -2.12 3.84 -1.26 -4.92 114.94 112.03 2bek s ASN 209 Ca 0.58 1.13 0.31 0.00 0.21 0.00 0.00 52.86 55.08 2bek s ASN 209 Cb -0.27 1.19 1.76 0.00 -0.55 0.00 0.00 41.25 43.38 2bek s ASN 209 CO 0.24 -0.22 2.12 1.62 -2.79 0.00 0.00 177.10 178.07 2bek h VAL 210 N 5.61 0.37 -0.14 -5.21 3.04 -2.01 -1.74 116.25 116.17 2bek h VAL 210 Ca -0.29 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 2bek h VAL 210 Cb 1.17 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2bek h VAL 210 CO 0.21 0.00 0.04 0.03 -1.01 0.00 0.00 177.57 176.84 2bek h ARG 211 N 0.00 0.19 -0.34 4.17 2.47 -1.99 -0.66 114.38 118.22 2bek h ARG 211 Ca 0.06 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 2bek h ARG 211 Cb 0.43 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2bek h ARG 211 CO -0.00 0.18 -0.05 -0.07 0.56 0.00 0.00 179.97 180.59 2bek h LEU 212 N 0.20 0.53 -0.07 3.04 3.38 -1.73 -1.12 115.31 119.54 2bek h LEU 212 Ca 0.05 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 2bek h LEU 212 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2bek h LEU 212 CO -0.00 0.64 -0.96 0.00 0.09 0.00 0.00 178.44 178.20 2bek h ALA 213 N 1.43 0.41 -0.20 1.53 0.00 -1.36 -3.33 119.26 117.74 2bek h ALA 213 Ca 0.11 -0.88 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 2bek h ALA 213 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bek h ALA 213 CO 0.02 1.20 -0.46 0.93 0.00 0.00 0.00 179.25 180.94 2bek h GLU 214 N 0.00 0.66 -0.92 0.00 5.08 -0.80 -3.36 114.58 115.24 2bek h GLU 214 Ca -0.01 -0.45 0.17 0.00 -1.00 0.00 0.00 59.36 58.07 2bek h GLU 214 Cb 1.71 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.86 2bek h GLU 214 CO 0.13 1.07 -0.29 0.00 -1.00 0.00 0.00 179.01 178.91 2bek h ALA 215 N 0.59 0.40 -0.36 3.43 0.00 -1.32 -0.38 119.26 121.63 2bek h ALA 215 Ca -0.00 0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2bek h ALA 215 Cb 1.07 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2bek h ALA 215 CO 0.10 -0.49 0.24 -1.35 0.00 0.00 0.00 179.25 177.75 2bek h PRO 216 N -0.02 0.28 0.00 0.00 0.11 -1.71 -1.37 132.00 129.30 2bek h PRO 216 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2bek h PRO 216 Cb 0.64 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2bek h PRO 216 CO -0.94 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 177.69 2bek h SER 217 N 0.28 0.00 -0.02 -2.05 4.64 -1.26 -0.42 113.55 114.72 2bek h SER 217 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2bek h SER 217 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2bek h SER 217 CO -0.03 0.00 -0.06 0.49 -0.87 0.00 0.00 176.83 176.35 2bek n PHE 218 N -2.62 0.00 -1.66 4.77 3.72 -0.57 -4.96 117.46 116.15 2bek n PHE 218 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2bek n PHE 218 Cb 0.17 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 2bek n PHE 218 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bek n GLY 219 N 1.00 0.58 3.45 1.37 0.00 -0.17 -4.86 105.19 106.56 2bek n GLY 219 Ca 0.09 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2bek n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek s LYS 220 N -3.49 1.60 0.79 1.61 1.02 -0.87 -3.89 119.74 116.52 2bek s LYS 220 Ca 0.00 -1.44 -0.12 0.00 0.02 0.00 0.00 55.97 54.43 2bek s LYS 220 Cb 0.00 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.45 2bek s LYS 220 CO 0.00 0.42 1.16 0.95 -0.92 0.00 0.00 175.35 176.96 2bek s THR 221 N -1.55 2.35 0.40 2.17 -4.23 -1.26 -3.68 115.64 109.83 2bek s THR 221 Ca 0.20 0.11 0.20 0.00 -1.18 0.00 0.00 61.69 61.03 2bek s THR 221 Cb -0.09 -3.11 0.21 0.00 1.34 0.00 0.00 72.50 70.85 2bek s THR 221 CO 0.10 -0.15 1.98 -0.29 -0.54 0.00 0.00 174.62 175.72 2bek h ILE 222 N -0.96 0.89 0.00 2.99 6.09 -1.93 -0.29 117.51 124.30 2bek h ILE 222 Ca -0.46 -0.77 -0.05 0.00 -1.37 0.00 0.00 64.86 62.22 2bek h ILE 222 Cb 1.31 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 2bek h ILE 222 CO 0.65 0.20 -0.22 0.00 -3.07 0.00 0.00 178.15 175.72 2bek h ALA 223 N 1.80 1.24 0.09 0.18 0.00 -1.92 -0.84 119.26 119.80 2bek h ALA 223 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2bek h ALA 223 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2bek h ALA 223 CO 0.03 0.27 -1.88 1.04 0.00 0.00 0.00 179.25 178.71 2bek n GLN 224 N -3.69 0.71 -0.01 0.00 6.02 -0.64 -3.99 117.38 115.77 2bek n GLN 224 Ca -0.01 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 57.13 2bek n GLN 224 Cb 0.33 -1.70 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 2bek n GLN 224 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2bek h HIS 225 N -0.19 0.47 -1.22 1.08 2.76 -1.02 -3.42 115.15 113.61 2bek h HIS 225 Ca -0.42 -0.26 -0.42 0.00 -2.20 0.00 0.00 60.37 57.07 2bek h HIS 225 Cb 1.86 -0.05 -0.29 0.00 1.55 0.00 0.00 27.41 30.48 2bek h HIS 225 CO 0.08 1.07 -0.85 0.00 -1.30 0.00 0.00 177.93 176.93 2bek n ALA 226 N -2.57 0.84 0.30 5.26 0.00 -0.33 -5.02 120.51 118.99 2bek n ALA 226 Ca -0.10 -2.54 0.13 0.00 0.00 0.00 0.00 53.44 50.93 2bek n ALA 226 Cb 0.61 -1.03 0.69 0.00 0.00 0.00 0.00 19.45 19.72 2bek n ALA 226 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bek h PRO 227 N 4.12 0.00 -0.12 0.00 0.13 -1.66 -1.93 132.00 132.54 2bek h PRO 227 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2bek h PRO 227 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2bek h PRO 227 CO 0.39 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.41 2bek n THR 228 N -2.70 1.00 -1.64 1.56 -2.24 -1.26 -4.66 114.28 104.33 2bek n THR 228 Ca -0.02 -1.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 2bek n THR 228 Cb 0.39 0.50 0.07 0.00 -2.10 0.00 0.00 70.33 69.19 2bek n THR 228 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bek s SER 229 N -1.00 4.90 0.29 3.42 1.04 -0.73 -4.85 113.70 116.77 2bek s SER 229 Ca 0.08 1.32 0.02 0.00 0.48 0.00 0.00 55.95 57.85 2bek s SER 229 Cb 0.04 -2.10 0.61 0.00 0.10 0.00 0.00 66.02 64.67 2bek s SER 229 CO 0.05 -1.71 1.80 -0.65 0.98 0.00 0.00 173.24 173.72 2bek h PRO 230 N -0.91 0.83 -0.24 4.02 0.11 -1.96 -1.38 132.00 132.48 2bek h PRO 230 Ca -0.46 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2bek h PRO 230 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2bek h PRO 230 CO 0.60 0.55 -0.21 0.78 -0.21 0.00 0.00 178.00 179.51 2bek h GLY 231 N 0.86 0.46 0.75 -0.55 0.00 -1.92 -1.52 103.07 101.15 2bek h GLY 231 Ca 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2bek h GLY 231 CO -0.32 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2bek h ALA 232 N 1.40 0.10 -0.78 3.60 0.00 -1.50 -1.01 119.26 121.06 2bek h ALA 232 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2bek h ALA 232 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2bek h ALA 232 CO 0.04 -0.24 0.51 0.45 0.00 0.00 0.00 179.25 180.01 2bek h HIS 233 N -0.15 0.99 -0.10 0.00 3.86 -1.34 -0.51 115.15 117.90 2bek h HIS 233 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2bek h HIS 233 Cb 0.32 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 2bek h HIS 233 CO 0.03 0.63 0.05 0.00 0.86 0.00 0.00 177.93 179.50 2bek h ALA 234 N 1.28 0.13 0.00 2.45 0.00 -1.15 -1.52 119.26 120.45 2bek h ALA 234 Ca 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2bek h ALA 234 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bek h ALA 234 CO -0.06 -0.31 -0.42 1.88 0.00 0.00 0.00 179.25 180.34 2bek h TYR 235 N 0.04 0.00 -0.37 0.00 0.05 -1.01 -0.76 116.97 114.92 2bek h TYR 235 Ca 0.03 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 2bek h TYR 235 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2bek h TYR 235 CO -0.03 0.42 0.03 -0.09 -1.05 0.00 0.00 178.16 177.44 2bek h ARG 236 N 0.00 0.63 -0.44 4.88 2.43 -0.85 -1.63 114.38 119.40 2bek h ARG 236 Ca -0.00 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 2bek h ARG 236 Cb 0.84 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2bek h ARG 236 CO 0.05 0.71 -0.01 0.00 -1.51 0.00 0.00 179.97 179.22 2bek h ARG 237 N 0.46 0.72 -0.66 0.20 3.08 -0.94 -2.78 114.38 114.46 2bek h ARG 237 Ca 0.11 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2bek h ARG 237 Cb 0.41 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2bek h ARG 237 CO 0.01 0.74 0.27 1.25 -1.07 0.00 0.00 179.97 181.17 2bek h LEU 238 N 0.67 0.91 -0.86 3.04 5.85 -0.84 -1.63 115.31 122.45 2bek h LEU 238 Ca 0.13 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2bek h LEU 238 Cb 0.44 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2bek h LEU 238 CO 0.02 0.83 0.53 0.00 -0.34 0.00 0.00 178.44 179.48 2bek h ALA 239 N 1.12 1.19 -0.43 1.25 0.00 -1.03 0.34 119.26 121.69 2bek h ALA 239 Ca 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2bek h ALA 239 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bek h ALA 239 CO -0.02 0.27 0.11 0.93 0.00 0.00 0.00 179.25 180.54 2bek h GLU 240 N 0.96 0.69 -0.51 0.00 5.08 -1.28 -1.68 114.58 117.84 2bek h GLU 240 Ca 0.38 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2bek h GLU 240 Cb 0.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2bek h GLU 240 CO -0.18 0.69 0.19 0.93 -1.00 0.00 0.00 179.01 179.64 2bek h GLU 241 N 0.57 0.77 -0.40 2.33 5.08 -0.32 -1.38 114.58 121.23 2bek h GLU 241 Ca 0.14 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2bek h GLU 241 Cb 0.31 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2bek h GLU 241 CO 0.00 0.69 0.23 0.28 -1.00 0.00 0.00 179.01 179.22 2bek h VAL 242 N 0.69 1.03 -0.67 3.13 2.07 -0.22 -0.66 116.25 121.63 2bek h VAL 242 Ca 0.17 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2bek h VAL 242 Cb 0.22 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2bek h VAL 242 CO -0.01 0.09 0.33 0.24 0.02 0.00 0.00 177.57 178.24 2bek h MET 243 N 0.47 0.94 -0.54 1.57 2.86 -1.08 -0.19 114.93 118.96 2bek h MET 243 Ca 0.16 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2bek h MET 243 Cb 0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2bek h MET 243 CO -0.08 0.71 0.21 0.00 1.06 0.00 0.00 176.91 178.81 2bek h ALA 244 N 1.43 0.70 0.00 6.32 0.00 -0.46 -1.82 119.26 125.43 2bek h ALA 244 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2bek h ALA 244 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bek h ALA 244 CO -0.03 0.31 -0.42 0.00 0.00 0.00 0.00 179.25 179.10 2bek h ARG 245 N 0.73 0.00 -0.03 0.00 3.08 -0.59 -2.95 114.38 114.61 2bek h ARG 245 Ca 0.18 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.06 2bek h ARG 245 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2bek h ARG 245 CO -0.01 0.42 -0.72 0.28 -1.07 0.00 0.00 179.97 178.87 2bek h VAL 246 N 0.00 1.44 -3.42 2.04 2.07 -0.78 -3.45 116.25 114.15 2bek h VAL 246 Ca -0.00 -2.27 -0.46 0.00 0.82 0.00 0.00 66.70 64.78 2bek h VAL 246 Cb 0.99 2.21 0.06 0.00 -1.52 0.00 0.00 31.29 33.02 2bek h VAL 246 CO 0.05 0.66 0.13 -1.10 0.02 0.00 0.00 177.57 177.34 2bek s GLN 247 N -3.51 2.70 0.00 1.57 -0.21 -0.71 -4.42 119.66 115.08 2bek s GLN 247 Ca -0.03 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2bek s GLN 247 Cb 0.11 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.81 2bek s GLN 247 CO 0.81 -0.79 0.00 -1.91 -2.12 0.00 0.00 175.29 171.28