#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 4.82 -0.07 0.58 1.01 -1.26 -4.86 120.40 120.62 2bek s VAL 6 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 2bek s VAL 6 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2bek s VAL 6 CO 0.00 -0.37 -0.09 0.54 0.00 0.00 0.00 175.10 175.18 2bek n ARG 7 N 6.21 0.15 -3.33 2.72 1.74 -1.26 -4.99 116.66 117.89 2bek n ARG 7 Ca 0.01 0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.76 2bek n ARG 7 Cb 0.48 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.14 5.56 0.52 -1.26 -1.23 118.95 124.43 2bek s ARG 8 Ca -0.10 0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2bek s ARG 8 Cb 0.04 -3.56 0.02 0.00 0.52 0.00 0.00 34.95 31.96 2bek s ARG 8 CO 0.13 -0.11 -0.19 0.42 0.02 0.00 0.00 175.30 175.57 2bek s ILE 9 N 1.52 1.87 -0.08 1.52 1.01 0.61 -1.24 121.20 126.41 2bek s ILE 9 Ca 0.20 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2bek s ILE 9 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2bek s ILE 9 CO 0.09 0.51 0.29 0.00 0.00 0.00 0.00 174.94 175.83 2bek s ALA 10 N 1.07 3.73 -0.47 9.38 0.00 -0.47 -0.55 121.76 134.46 2bek s ALA 10 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2bek s ALA 10 Cb -0.14 -2.25 0.09 0.00 0.00 0.00 0.00 23.12 20.82 2bek s ALA 10 CO -0.06 0.43 0.36 -0.51 0.00 0.00 0.00 175.76 175.98 2bek s LEU 11 N -0.68 5.58 0.04 0.00 2.01 0.30 -0.98 118.68 124.94 2bek s LEU 11 Ca 0.19 -1.60 0.02 0.00 0.01 0.00 0.00 54.13 52.76 2bek s LEU 11 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 46.19 43.95 2bek s LEU 11 CO 0.08 -0.66 -0.08 0.00 1.01 0.00 0.00 176.35 176.71 2bek s ALA 12 N 1.50 0.57 0.00 4.21 0.00 -1.12 -2.35 121.76 124.56 2bek s ALA 12 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2bek s ALA 12 Cb -0.25 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2bek s ALA 12 CO 0.03 -0.00 0.00 -1.71 0.00 0.00 0.00 175.76 174.08 2bek n ASN 13 N 1.64 0.00 0.23 0.00 2.85 -1.26 -4.26 115.26 114.47 2bek n ASN 13 Ca -0.22 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.41 2bek n ASN 13 Cb 0.55 0.00 0.79 0.00 1.24 0.00 0.00 39.78 42.36 2bek n ASN 13 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 2bek h GLN 14 N 0.00 0.00 -6.65 1.20 3.07 -1.85 -3.40 115.11 107.48 2bek h GLN 14 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 2bek h GLN 14 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.59 2bek h GLN 14 CO 0.00 0.00 0.66 0.21 0.09 0.00 0.00 178.83 179.79 2bek s LYS 15 N -3.72 4.38 0.41 0.06 2.47 -1.26 -3.65 119.74 118.43 2bek s LYS 15 Ca -0.02 2.05 -0.22 0.00 -1.56 0.00 0.00 55.97 56.22 2bek s LYS 15 Cb 0.09 -3.21 -0.11 0.00 -1.46 0.00 0.00 37.83 33.15 2bek s LYS 15 CO 0.35 -0.28 0.96 0.20 0.16 0.00 0.00 175.35 176.74 2bek s GLY 16 N 0.49 2.51 -1.26 5.54 0.00 -1.26 -4.31 107.32 109.03 2bek s GLY 16 Ca 0.58 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 2bek s GLY 16 CO 0.37 0.78 0.96 0.61 0.00 0.00 0.00 173.10 175.81 2bek n GLY 17 N -0.30 -0.38 0.62 0.20 0.00 -1.26 -4.93 105.19 99.14 2bek n GLY 17 Ca 0.06 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.30 0.97 -0.16 1.61 0.24 -1.26 -4.96 118.33 110.47 2bek n VAL 18 Ca -0.24 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 2bek n VAL 18 Cb 0.65 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 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 0.49 0.91 0.32 7.63 0.00 -1.26 -4.22 105.19 109.06 2bek n GLY 19 Ca 0.11 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 0.93 -0.66 -0.25 1.61 1.57 -1.93 -0.58 116.57 117.26 2bek h LYS 20 Ca 0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2bek h LYS 20 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2bek h LYS 20 CO 0.00 -0.44 0.07 1.15 -0.57 0.00 0.00 179.45 179.66 2bek h THR 21 N -0.69 1.20 -0.95 -0.16 2.02 -1.92 0.11 112.91 112.52 2bek h THR 21 Ca -0.04 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2bek h THR 21 Cb 0.57 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 2bek h THR 21 CO 0.03 0.21 0.61 0.74 0.37 0.00 0.00 175.52 177.48 2bek h THR 22 N 0.24 1.10 -0.28 3.16 2.02 -1.97 -0.32 112.91 116.86 2bek h THR 22 Ca 0.08 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 2bek h THR 22 Cb 0.25 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2bek h THR 22 CO -0.00 0.21 -0.40 0.74 0.37 0.00 0.00 175.52 176.44 2bek h THR 23 N 1.13 1.30 -0.41 3.16 2.02 -0.80 -2.03 112.91 117.27 2bek h THR 23 Ca 0.40 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 2bek h THR 23 Cb 0.12 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2bek h THR 23 CO -0.16 0.51 0.16 0.00 0.37 0.00 0.00 175.52 176.40 2bek h ALA 24 N 0.68 0.54 0.04 6.16 0.00 -0.16 -0.15 119.26 126.37 2bek h ALA 24 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bek h ALA 24 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bek h ALA 24 CO 0.09 0.15 -0.02 0.82 0.00 0.00 0.00 179.25 180.29 2bek h ILE 25 N 0.52 1.19 0.00 0.00 2.04 -1.11 -2.30 117.51 117.85 2bek h ILE 25 Ca 0.14 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2bek h ILE 25 Cb 0.20 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2bek h ILE 25 CO -0.01 0.19 -0.45 0.78 0.00 0.00 0.00 178.15 178.66 2bek h ASN 26 N -0.39 0.00 -0.33 1.72 2.35 -1.37 -1.25 115.58 116.31 2bek h ASN 26 Ca -0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2bek h ASN 26 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2bek h ASN 26 CO 0.01 0.45 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.93 2bek h LEU 27 N 0.00 0.79 -0.67 1.61 3.38 -1.05 -2.05 115.31 117.32 2bek h LEU 27 Ca -0.00 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.53 2bek h LEU 27 Cb 0.87 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2bek h LEU 27 CO 0.06 1.06 0.44 0.00 0.09 0.00 0.00 178.44 180.09 2bek h ALA 28 N 0.75 0.86 -0.55 1.53 0.00 -1.11 0.60 119.26 121.34 2bek h ALA 28 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bek h ALA 28 Cb 0.81 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2bek h ALA 28 CO 0.07 0.26 0.34 0.00 0.00 0.00 0.00 179.25 179.92 2bek h ALA 29 N 1.26 0.70 0.00 0.00 0.00 -1.01 -0.79 119.26 119.41 2bek h ALA 29 Ca 0.25 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2bek h ALA 29 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2bek h ALA 29 CO -0.06 0.08 -1.00 1.88 0.00 0.00 0.00 179.25 180.14 2bek h TYR 30 N 0.69 0.00 -0.26 0.00 0.05 -1.14 -2.76 116.97 113.55 2bek h TYR 30 Ca 0.21 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.88 2bek h TYR 30 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2bek h TYR 30 CO -0.05 0.92 -0.31 -0.07 -1.05 0.00 0.00 178.16 177.59 2bek h LEU 31 N 0.00 0.56 -0.65 3.88 3.38 -0.73 -1.83 115.31 119.91 2bek h LEU 31 Ca -0.04 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2bek h LEU 31 Cb 1.73 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2bek h LEU 31 CO 0.11 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.49 2bek h ALA 32 N 1.20 0.86 0.00 1.53 0.00 -1.15 -1.80 119.26 119.90 2bek h ALA 32 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2bek h ALA 32 Cb 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bek h ALA 32 CO 0.06 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.52 2bek n ARG 33 N -4.18 0.09 -0.09 0.00 1.74 -0.97 -1.03 116.66 112.22 2bek n ARG 33 Ca 0.03 0.28 0.10 0.00 -0.77 0.00 0.00 57.85 57.49 2bek n ARG 33 Cb 0.34 -1.65 0.35 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.81 1.68 0.00 0.55 4.77 -0.72 -4.90 117.00 116.57 2bek n LEU 34 Ca 0.04 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2bek n LEU 34 Cb 0.23 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2bek n LEU 34 CO 0.18 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2bek n GLY 35 N 1.12 0.75 3.86 -0.72 0.00 -0.20 -5.07 105.19 104.93 2bek n GLY 35 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 3.93 -0.43 1.61 -0.14 -0.95 -5.02 119.74 118.24 2bek s LYS 36 Ca 0.00 0.46 -0.22 0.00 -1.36 0.00 0.00 55.97 54.85 2bek s LYS 36 Cb 0.00 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.46 2bek s LYS 36 CO 0.00 0.34 0.75 1.03 -0.76 0.00 0.00 175.35 176.71 2bek s ARG 37 N -2.53 3.46 -0.05 1.68 0.52 -1.26 -4.27 118.95 116.50 2bek s ARG 37 Ca 0.45 -0.08 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 2bek s ARG 37 Cb -0.13 -3.91 -0.02 0.00 0.52 0.00 0.00 34.95 31.41 2bek s ARG 37 CO 0.20 -1.03 -0.15 0.08 0.02 0.00 0.00 175.30 174.42 2bek s VAL 38 N 3.13 2.97 -0.15 3.52 1.01 -1.26 -0.77 120.40 128.85 2bek s VAL 38 Ca 0.28 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2bek s VAL 38 Cb -0.13 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2bek s VAL 38 CO 0.21 0.59 -0.18 -0.22 0.00 0.00 0.00 175.10 175.49 2bek s LEU 39 N -0.69 2.28 -0.20 3.92 2.96 -0.48 -0.99 118.68 125.48 2bek s LEU 39 Ca 0.11 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2bek s LEU 39 Cb -0.11 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2bek s LEU 39 CO 0.01 0.07 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.88 2bek s LEU 40 N 0.91 3.24 -0.20 -0.68 2.96 0.69 -0.03 118.68 125.58 2bek s LEU 40 Ca -0.04 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2bek s LEU 40 Cb -0.15 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2bek s LEU 40 CO -0.03 0.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 2bek s VAL 41 N 1.02 3.70 -0.50 1.68 1.01 0.91 -0.46 120.40 127.76 2bek s VAL 41 Ca 0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2bek s VAL 41 Cb -0.14 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.62 2bek s VAL 41 CO 0.02 0.44 0.71 -0.62 0.00 0.00 0.00 175.10 175.64 2bek s ASP 42 N 1.05 6.28 0.00 3.32 -1.08 -0.66 -1.17 116.67 124.41 2bek s ASP 42 Ca 0.01 -0.63 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 2bek s ASP 42 Cb -0.15 -2.33 0.39 0.00 -1.46 0.00 0.00 42.92 39.37 2bek s ASP 42 CO 0.01 -0.95 1.35 0.18 0.52 0.00 0.00 175.17 176.28 2bek n LEU 43 N 6.52 3.34 -4.72 -1.34 4.77 -0.45 -4.10 117.00 121.01 2bek n LEU 43 Ca -0.03 -1.51 -0.39 0.00 -0.03 0.00 0.00 56.01 54.05 2bek n LEU 43 Cb 0.46 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2bek n LEU 43 CO 0.56 0.72 0.27 0.00 -1.33 0.00 0.00 177.39 177.61 2bek s ALA 44 N -1.41 3.42 0.49 -1.18 0.00 -1.23 -4.49 121.76 117.36 2bek s ALA 44 Ca 0.36 -0.05 0.16 0.00 0.00 0.00 0.00 51.96 52.43 2bek s ALA 44 Cb 0.21 -2.77 1.20 0.00 0.00 0.00 0.00 23.12 21.76 2bek s ALA 44 CO 0.29 -0.02 2.07 -1.35 0.00 0.00 0.00 175.76 176.75 2bek h PRO 45 N 6.64 0.15 -0.17 0.00 0.11 -1.92 0.12 132.00 136.94 2bek h PRO 45 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2bek h PRO 45 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2bek h PRO 45 CO 0.75 0.10 -0.04 1.96 -0.21 0.00 0.00 178.00 180.56 2bek h GLN 46 N 0.16 0.24 -3.49 1.05 7.50 -1.95 -3.46 115.11 115.16 2bek h GLN 46 Ca 0.13 -0.04 -0.31 0.00 0.50 0.00 0.00 58.65 58.93 2bek h GLN 46 Cb 0.33 -0.04 0.05 0.00 0.05 0.00 0.00 27.48 27.86 2bek h GLN 46 CO -0.02 0.30 -0.46 0.41 -1.50 0.00 0.00 178.83 177.56 2bek n GLY 47 N -1.10 -0.24 0.30 3.46 0.00 0.42 -4.94 105.19 103.10 2bek n GLY 47 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.04 1.03 -0.88 1.61 2.35 -1.91 -1.80 115.58 114.95 2bek h ASN 48 Ca -0.41 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.09 2bek h ASN 48 Cb 1.28 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.32 2bek h ASN 48 CO 0.44 1.08 0.56 0.00 -1.65 0.00 0.00 177.43 177.85 2bek h ALA 49 N 0.99 1.18 0.11 -0.83 0.00 -1.92 0.52 119.26 119.32 2bek h ALA 49 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bek h ALA 49 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bek h ALA 49 CO 0.03 0.38 -0.05 1.15 0.00 0.00 0.00 179.25 180.75 2bek h THR 50 N 1.07 1.02 -0.84 0.00 2.02 -1.85 -2.66 112.91 111.67 2bek h THR 50 Ca 0.36 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2bek h THR 50 Cb 0.07 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2bek h THR 50 CO -0.14 0.13 0.39 0.28 0.37 0.00 0.00 175.52 176.55 2bek h SER 51 N -0.39 1.12 0.18 4.18 0.02 -1.00 -2.08 113.55 115.57 2bek h SER 51 Ca -0.02 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2bek h SER 51 Cb 0.32 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2bek h SER 51 CO 0.03 0.95 0.00 1.23 -1.14 0.00 0.00 176.83 177.89 2bek h GLY 52 N 1.21 0.00 -1.92 -3.77 0.00 0.18 -1.27 103.07 97.49 2bek h GLY 52 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2bek h GLY 52 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 2bek n LEU 53 N -2.49 3.97 -1.46 3.11 4.77 -0.83 -3.16 117.00 120.91 2bek n LEU 53 Ca -0.01 -2.68 -0.15 0.00 -0.03 0.00 0.00 56.01 53.14 2bek n LEU 53 Cb 0.09 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2bek n LEU 53 CO 0.15 0.70 -0.17 0.61 -1.33 0.00 0.00 177.39 177.35 2bek n GLY 54 N 0.09 0.61 3.71 -0.72 0.00 -0.48 -4.83 105.19 103.56 2bek n GLY 54 Ca 0.20 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.66 4.43 -0.39 1.61 1.01 -0.90 -5.04 120.40 118.46 2bek s VAL 55 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2bek s VAL 55 Cb 0.00 -2.89 0.13 0.00 0.00 0.00 0.00 36.38 33.62 2bek s VAL 55 CO 0.00 0.57 0.20 -0.60 0.00 0.00 0.00 175.10 175.27 2bek s ARG 56 N -1.00 0.95 0.10 2.72 3.52 -1.26 -4.10 118.95 119.88 2bek s ARG 56 Ca 0.14 -1.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.16 2bek s ARG 56 Cb -0.11 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 2bek s ARG 56 CO 0.04 -1.14 0.20 0.00 -0.81 0.00 0.00 175.30 173.59 2bek s ALA 57 N 0.84 3.87 -0.75 6.12 0.00 -1.26 -5.00 121.76 125.58 2bek s ALA 57 Ca 0.16 -0.96 0.17 0.00 0.00 0.00 0.00 51.96 51.33 2bek s ALA 57 Cb -0.23 -1.69 -0.19 0.00 0.00 0.00 0.00 23.12 21.01 2bek s ALA 57 CO -0.05 0.70 0.70 -0.85 0.00 0.00 0.00 175.76 176.26 2bek n GLU 58 N 0.03 1.28 -4.27 0.00 0.28 -1.26 -4.77 120.64 111.93 2bek n GLU 58 Ca -0.07 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.74 2bek n GLU 58 Cb 0.52 -1.32 -0.15 0.00 1.43 0.00 0.00 31.44 31.93 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 -2.66 0.65 0.00 3.44 0.52 -1.26 -5.00 118.95 114.64 2bek s ARG 59 Ca 0.05 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2bek s ARG 59 Cb 0.13 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.96 2bek s ARG 59 CO 0.71 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.56 2bek n GLY 60 N 3.07 3.74 0.28 -3.53 0.00 -1.26 -4.73 105.19 102.77 2bek n GLY 60 Ca -0.15 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.74 2bek n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bek h VAL 61 N 0.00 0.76 -0.80 1.61 2.07 -1.45 -1.50 116.25 116.93 2bek h VAL 61 Ca 0.00 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2bek h VAL 61 Cb 0.00 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 2bek h VAL 61 CO 0.00 0.10 0.47 0.22 0.02 0.00 0.00 177.57 178.38 2bek h TYR 62 N 0.56 0.85 -0.02 1.57 5.03 -1.94 -0.96 116.97 122.06 2bek h TYR 62 Ca 0.40 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.61 2bek h TYR 62 Cb 0.53 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 2bek h TYR 62 CO -0.12 0.37 -0.58 0.45 -1.32 0.00 0.00 178.16 176.97 2bek h HIS 63 N 0.81 0.08 -0.50 -3.82 -0.00 -1.70 -2.23 115.15 107.79 2bek h HIS 63 Ca 0.38 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.68 2bek h HIS 63 Cb 0.29 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 2bek h HIS 63 CO -0.06 0.62 0.17 1.25 -0.00 0.00 0.00 177.93 179.92 2bek h LEU 64 N 0.05 0.72 -1.57 2.43 5.85 -0.48 -1.38 115.31 120.92 2bek h LEU 64 Ca -0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2bek h LEU 64 Cb 1.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2bek h LEU 64 CO 0.08 0.72 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.74 2bek h LEU 65 N 0.67 0.15 -0.16 2.25 3.38 -0.89 -2.02 115.31 118.70 2bek h LEU 65 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2bek h LEU 65 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bek h LEU 65 CO -0.01 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2bek n GLN 66 N -4.35 0.25 0.00 1.13 1.13 -0.87 -4.90 117.38 109.78 2bek n GLN 66 Ca -0.01 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 2bek n GLN 66 Cb 0.22 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.74 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 1.02 0.59 3.76 1.08 0.00 -0.76 -5.10 105.19 105.79 2bek n GLY 67 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.68 0.29 1.61 2.02 -0.57 -4.98 118.70 121.74 2bek s GLU 68 Ca 0.00 1.75 -0.30 0.00 0.02 0.00 0.00 54.97 56.44 2bek s GLU 68 Cb 0.00 -3.21 -0.12 0.00 0.10 0.00 0.00 34.13 30.90 2bek s GLU 68 CO 0.00 0.26 1.58 -2.30 0.02 0.00 0.00 175.26 174.82 2bek n PRO 69 N 1.30 2.64 -0.16 0.39 -0.02 -1.26 -4.37 135.00 133.52 2bek n PRO 69 Ca -0.01 0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 62.36 2bek n PRO 69 Cb 0.45 -2.71 0.05 0.00 -0.02 0.00 0.00 33.50 31.27 2bek n PRO 69 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bek h LEU 70 N 4.68 0.34 -0.99 2.45 5.85 -1.92 -2.99 115.31 122.73 2bek h LEU 70 Ca -0.47 0.03 0.28 0.00 0.84 0.00 0.00 57.88 58.56 2bek h LEU 70 Cb 1.23 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.09 2bek h LEU 70 CO 0.79 0.23 0.56 -0.33 -0.34 0.00 0.00 178.44 179.35 2bek h GLU 71 N 0.47 0.44 -0.21 1.25 3.07 -1.94 0.15 114.58 117.81 2bek h GLU 71 Ca 0.22 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2bek h GLU 71 Cb 0.14 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2bek h GLU 71 CO -0.16 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 2bek n GLY 72 N -1.30 0.42 0.00 -3.84 0.00 -1.13 -3.99 105.19 95.35 2bek n GLY 72 Ca 0.29 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.41 0.19 -4.81 0.99 4.77 0.51 -5.02 117.00 114.04 2bek n LEU 73 Ca 0.16 -0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 2bek n LEU 73 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2bek n LEU 73 CO 0.12 0.05 0.56 0.68 -1.33 0.00 0.00 177.39 177.47 2bek s VAL 74 N -2.63 4.42 -0.14 4.08 -7.23 -1.08 -4.49 120.40 113.33 2bek s VAL 74 Ca -0.02 1.47 0.01 0.00 -1.81 0.00 0.00 61.98 61.63 2bek s VAL 74 Cb 0.08 -3.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.22 2bek s VAL 74 CO 0.51 -0.01 -0.17 -1.00 -0.31 0.00 0.00 175.10 174.12 2bek s HIS 75 N -1.80 2.75 -0.06 2.82 3.76 -0.03 -4.90 115.29 117.83 2bek s HIS 75 Ca 0.52 -0.98 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 2bek s HIS 75 Cb -0.14 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2bek s HIS 75 CO 0.19 -0.42 1.20 -1.25 -0.85 0.00 0.00 174.74 173.61 2bek s PRO 76 N 0.65 4.35 -0.11 8.40 0.04 -1.26 -0.73 135.00 146.34 2bek s PRO 76 Ca -0.09 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 2bek s PRO 76 Cb -0.16 -3.57 0.04 0.00 0.04 0.00 0.00 34.50 30.86 2bek s PRO 76 CO 0.02 -0.46 0.26 0.14 0.04 0.00 0.00 177.00 177.00 2bek s VAL 77 N 2.30 -0.03 -1.78 -0.36 -7.23 0.08 -4.95 120.40 108.43 2bek s VAL 77 Ca 0.56 0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.66 2bek s VAL 77 Cb -0.24 -0.39 0.18 0.00 0.56 0.00 0.00 36.38 36.49 2bek s VAL 77 CO 0.21 0.05 0.64 -0.67 -0.31 0.00 0.00 175.10 175.02 2bek n ASP 78 N 4.09 -2.23 0.00 4.85 4.64 -1.26 -0.93 116.55 125.71 2bek n ASP 78 Ca -0.24 -1.14 0.00 0.00 -1.38 0.00 0.00 54.79 52.03 2bek n ASP 78 Cb 0.54 -2.13 0.00 0.00 -1.04 0.00 0.00 41.12 38.48 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 -1.33 1.30 1.38 0.27 0.00 -1.26 -4.84 105.19 100.72 2bek n GLY 79 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.11 -4.68 1.61 -1.74 -0.11 -4.76 117.46 105.90 2bek n PHE 80 Ca 0.00 -1.06 -0.31 0.00 -0.56 0.00 0.00 57.45 55.52 2bek n PHE 80 Cb 0.00 -0.02 -0.13 0.00 1.52 0.00 0.00 39.48 40.85 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 -2.11 2.57 -0.12 2.97 3.76 -0.16 -0.74 115.29 121.46 2bek s HIS 81 Ca 0.07 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 2bek s HIS 81 Cb 0.00 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.22 2bek s HIS 81 CO 0.05 0.25 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.79 2bek s LEU 82 N -1.37 2.14 -0.53 0.89 2.96 0.09 -0.22 118.68 122.64 2bek s LEU 82 Ca 0.14 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.34 2bek s LEU 82 Cb -0.11 -1.44 0.13 0.00 0.50 0.00 0.00 46.19 45.27 2bek s LEU 82 CO 0.05 0.13 0.49 -0.22 -1.32 0.00 0.00 176.35 175.47 2bek s LEU 83 N 0.55 6.14 0.83 -0.68 2.96 0.39 -0.85 118.68 128.02 2bek s LEU 83 Ca -0.13 -1.79 -0.11 0.00 -0.22 0.00 0.00 54.13 51.89 2bek s LEU 83 Cb -0.17 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.42 2bek s LEU 83 CO 0.04 -0.84 1.11 -2.16 -1.32 0.00 0.00 176.35 173.18 2bek s PRO 84 N 1.58 1.73 0.05 0.98 0.04 -1.26 -1.65 135.00 136.47 2bek s PRO 84 Ca 0.03 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 2bek s PRO 84 Cb -0.30 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2bek s PRO 84 CO 0.03 -2.04 0.22 0.00 0.04 0.00 0.00 177.00 175.26 2bek s ALA 85 N -2.82 3.97 0.25 8.56 0.00 -1.26 -1.26 121.76 129.20 2bek s ALA 85 Ca 0.63 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2bek s ALA 85 Cb -0.19 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 2bek s ALA 85 CO 0.57 0.78 0.11 0.95 0.00 0.00 0.00 175.76 178.17 2bek s THR 86 N -1.47 0.43 -1.24 0.00 -4.23 -1.26 -4.70 115.64 103.17 2bek s THR 86 Ca 0.33 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2bek s THR 86 Cb -0.13 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2bek s THR 86 CO 0.25 0.00 1.07 -0.81 -0.54 0.00 0.00 174.62 174.58 2bek n PRO 87 N -0.44 0.04 0.14 3.99 -0.04 -1.26 -2.01 135.00 135.42 2bek n PRO 87 Ca 0.00 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.80 2bek n PRO 87 Cb 0.66 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.53 3.54 3.45 -1.95 -3.23 116.42 117.69 2bek h ASP 88 Ca 0.00 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.58 2bek h ASP 88 Cb 0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 2bek h ASP 88 CO 0.00 0.56 0.37 -0.07 -1.57 0.00 0.00 179.24 178.53 2bek h LEU 89 N 0.00 0.17 -1.64 1.55 3.38 -1.78 -2.04 115.31 114.95 2bek h LEU 89 Ca -0.01 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.19 2bek h LEU 89 Cb 1.27 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2bek h LEU 89 CO 0.07 0.10 0.60 0.58 0.09 0.00 0.00 178.44 179.88 2bek h VAL 90 N 0.18 0.64 -0.01 1.22 2.07 -1.77 -0.75 116.25 117.83 2bek h VAL 90 Ca 0.25 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2bek h VAL 90 Cb 0.75 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2bek h VAL 90 CO -0.04 0.05 -0.30 0.61 0.02 0.00 0.00 177.57 177.92 2bek n GLY 91 N -1.57 -0.11 0.00 2.17 0.00 -0.77 -4.16 105.19 100.77 2bek n GLY 91 Ca 0.19 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.77 2bek n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bek n ALA 92 N -0.09 2.10 0.16 4.61 0.00 -0.29 -3.95 120.51 123.06 2bek n ALA 92 Ca 0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 2bek n ALA 92 Cb 0.43 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 2bek n ALA 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bek h THR 93 N 0.00 0.08 -0.50 0.00 2.02 -1.72 -0.76 112.91 112.03 2bek h THR 93 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2bek h THR 93 Cb 0.12 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2bek h THR 93 CO 0.00 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.78 2bek h VAL 94 N -0.77 1.08 0.14 3.16 2.07 -1.92 -0.74 116.25 119.26 2bek h VAL 94 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2bek h VAL 94 Cb 0.75 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bek h VAL 94 CO -0.21 0.11 -0.12 -0.08 0.02 0.00 0.00 177.57 177.29 2bek h GLU 95 N 0.62 -0.27 0.00 1.57 4.81 -1.75 -2.57 114.58 116.99 2bek h GLU 95 Ca 0.19 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2bek h GLU 95 Cb -0.02 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2bek h GLU 95 CO -0.07 -0.18 -0.11 -0.07 -0.73 0.00 0.00 179.01 177.84 2bek h LEU 96 N -0.28 0.00 -0.63 1.64 3.38 -1.01 -2.86 115.31 115.55 2bek h LEU 96 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2bek h LEU 96 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2bek h LEU 96 CO -0.02 0.11 0.26 0.00 0.09 0.00 0.00 178.44 178.88 2bek h ALA 97 N 1.89 0.82 -0.01 1.53 0.00 -0.71 -2.64 119.26 120.13 2bek h ALA 97 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bek h ALA 97 Cb 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bek h ALA 97 CO 0.01 0.43 -0.07 0.41 0.00 0.00 0.00 179.25 180.03 2bek n GLY 98 N -0.84 -0.56 2.39 0.00 0.00 -1.09 -4.49 105.19 100.60 2bek n GLY 98 Ca 0.04 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.51 2.57 0.32 4.61 0.00 -1.00 -4.99 120.51 121.51 2bek n ALA 99 Ca 0.17 -3.02 0.20 0.00 0.00 0.00 0.00 53.44 50.79 2bek n ALA 99 Cb 0.29 -0.80 1.08 0.00 0.00 0.00 0.00 19.45 20.02 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 5.43 0.00 -0.65 0.00 0.13 -1.78 -2.20 132.00 132.93 2bek h PRO 100 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2bek h PRO 100 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2bek h PRO 100 CO 0.36 0.01 0.00 0.25 -0.23 0.00 0.00 178.00 178.39 2bek n THR 101 N -3.34 1.37 -0.02 1.56 -2.24 -1.26 -4.23 114.28 106.13 2bek n THR 101 Ca -0.03 -1.11 -0.11 0.00 -2.27 0.00 0.00 64.05 60.54 2bek n THR 101 Cb 0.10 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 3.91 0.18 -0.47 6.98 0.00 -1.76 -1.87 119.26 126.23 2bek h ALA 102 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bek h ALA 102 Cb 1.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2bek h ALA 102 CO 0.10 -0.33 0.25 1.25 0.00 0.00 0.00 179.25 180.52 2bek h LEU 103 N 0.19 0.59 -0.26 0.00 5.85 -1.82 -0.79 115.31 119.07 2bek h LEU 103 Ca 0.05 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2bek h LEU 103 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2bek h LEU 103 CO -0.01 0.53 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.37 2bek h ARG 104 N 0.61 -0.13 0.00 1.25 2.43 -1.76 0.15 114.38 116.93 2bek h ARG 104 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2bek h ARG 104 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2bek h ARG 104 CO -0.02 -0.09 -0.37 0.93 -1.51 0.00 0.00 179.97 178.91 2bek h GLU 105 N -0.13 0.00 0.00 0.20 5.08 -1.15 -2.89 114.58 115.68 2bek h GLU 105 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2bek h GLU 105 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bek h GLU 105 CO -0.34 0.37 -0.21 0.00 -1.00 0.00 0.00 179.01 177.83 2bek h ALA 106 N 1.63 0.89 -0.22 3.43 0.00 -0.15 -3.40 119.26 121.44 2bek h ALA 106 Ca -0.00 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 54.16 2bek h ALA 106 Cb 0.71 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2bek h ALA 106 CO 0.05 0.05 2.89 1.28 0.00 0.00 0.00 179.25 183.52 2bek n LEU 107 N -3.04 6.48 -4.05 0.00 4.77 0.42 -4.82 117.00 116.77 2bek n LEU 107 Ca 0.03 -4.13 -0.43 0.00 -0.03 0.00 0.00 56.01 51.46 2bek n LEU 107 Cb 0.55 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2bek n LEU 107 CO 0.36 0.94 2.14 0.54 -1.33 0.00 0.00 177.39 180.04 2bek n ARG 108 N 6.41 3.23 -0.87 3.23 1.74 -1.26 -4.66 116.66 124.47 2bek n ARG 108 Ca 0.51 -3.20 -0.05 0.00 -0.77 0.00 0.00 57.85 54.34 2bek n ARG 108 Cb 0.40 -3.18 0.25 0.00 -1.02 0.00 0.00 32.46 28.91 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 5.81 3.81 0.32 0.55 5.68 -1.26 -4.74 116.55 126.73 2bek n ASP 109 Ca 0.45 -3.39 0.14 0.00 -0.50 0.00 0.00 54.79 51.49 2bek n ASP 109 Cb 0.40 -0.69 0.75 0.00 -1.14 0.00 0.00 41.12 40.45 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 1.77 0.00 0.00 0.11 9.09 -2.02 -0.59 114.58 122.94 2bek h GLU 110 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2bek h GLU 110 Cb 2.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.14 2bek h GLU 110 CO 0.59 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.06 2bek n GLY 111 N -1.24 -1.16 3.70 1.06 0.00 -1.26 -4.83 105.19 101.46 2bek n GLY 111 Ca -0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.45 2.95 -0.02 1.61 2.02 -0.23 -4.98 117.35 116.25 2bek s TYR 112 Ca 0.31 -0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.83 2bek s TYR 112 Cb 0.19 -1.45 -0.31 0.00 -0.40 0.00 0.00 41.96 40.00 2bek s TYR 112 CO 0.41 0.51 0.77 -0.44 -1.57 0.00 0.00 175.55 175.24 2bek h ASP 113 N 2.78 0.58 -3.98 2.29 3.32 -1.26 -3.47 116.42 116.67 2bek h ASP 113 Ca -0.47 -0.81 -0.24 0.00 0.02 0.00 0.00 57.03 55.53 2bek h ASP 113 Cb 1.19 -0.19 -0.27 0.00 0.22 0.00 0.00 39.33 40.29 2bek h ASP 113 CO 0.60 1.67 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.31 2bek s LEU 114 N -7.24 2.05 -0.13 1.55 1.43 -0.98 -4.74 118.68 110.62 2bek s LEU 114 Ca -0.13 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2bek s LEU 114 Cb 0.06 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.26 2bek s LEU 114 CO 0.87 -0.04 -0.11 -0.69 0.23 0.00 0.00 176.35 176.61 2bek s VAL 115 N -0.29 1.31 -0.18 -1.59 1.01 -0.36 -1.39 120.40 118.92 2bek s VAL 115 Ca -0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2bek s VAL 115 Cb -0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2bek s VAL 115 CO -0.00 0.42 0.09 -0.76 0.00 0.00 0.00 175.10 174.84 2bek s LEU 116 N 1.59 4.00 -0.29 3.92 1.43 0.96 -0.28 118.68 130.00 2bek s LEU 116 Ca 0.05 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2bek s LEU 116 Cb -0.13 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2bek s LEU 116 CO -0.10 0.20 0.04 -0.76 0.23 0.00 0.00 176.35 175.96 2bek s LEU 117 N 0.25 3.80 -0.44 1.79 1.43 0.29 -0.06 118.68 125.73 2bek s LEU 117 Ca 0.06 -0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 2bek s LEU 117 Cb -0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2bek s LEU 117 CO -0.00 -0.22 0.68 -0.62 0.23 0.00 0.00 176.35 176.41 2bek s ASP 118 N 1.39 6.35 0.17 2.29 2.15 -0.32 -0.54 116.67 128.16 2bek s ASP 118 Ca -0.00 -0.27 -0.04 0.00 0.43 0.00 0.00 52.55 52.67 2bek s ASP 118 Cb -0.18 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2bek s ASP 118 CO 0.00 -0.81 0.39 0.00 -0.17 0.00 0.00 175.17 174.59 2bek s ALA 119 N 2.93 3.79 0.77 3.66 0.00 -0.99 -1.34 121.76 130.58 2bek s ALA 119 Ca 0.24 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2bek s ALA 119 Cb -0.14 -2.11 0.05 0.00 0.00 0.00 0.00 23.12 20.93 2bek s ALA 119 CO 0.20 0.58 1.12 -1.25 0.00 0.00 0.00 175.76 176.40 2bek s PRO 120 N -2.90 2.32 -1.10 0.00 0.04 -1.26 -4.84 135.00 127.25 2bek s PRO 120 Ca 0.41 0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 2bek s PRO 120 Cb -0.12 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2bek s PRO 120 CO 0.26 -1.41 1.98 -0.35 0.04 0.00 0.00 177.00 177.53 2bek n PRO 121 N -3.25 2.12 0.00 0.56 -0.04 -1.26 -4.73 135.00 128.39 2bek n PRO 121 Ca 0.07 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 2bek n PRO 121 Cb 0.58 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 2bek n PRO 121 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bek n SER 122 N 8.47 0.00 -2.19 3.54 3.41 -1.24 -4.77 113.62 120.84 2bek n SER 122 Ca 0.49 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 2bek n SER 122 Cb 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.42 2bek n SER 122 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2bek n LEU 123 N 0.00 6.28 -4.59 1.04 -0.00 -1.26 -4.56 117.00 113.91 2bek n LEU 123 Ca 0.00 -4.55 -0.29 0.00 -0.00 0.00 0.00 56.01 51.17 2bek n LEU 123 Cb 0.00 -0.66 0.22 0.00 -0.00 0.00 0.00 43.42 42.98 2bek n LEU 123 CO 0.00 1.81 0.60 -0.94 -0.00 0.00 0.00 177.39 178.85 2bek s SER 124 N -2.72 1.44 0.52 1.96 1.04 -1.26 -4.68 113.70 110.00 2bek s SER 124 Ca 0.58 0.99 0.18 0.00 0.48 0.00 0.00 55.95 58.17 2bek s SER 124 Cb 0.46 -1.50 1.30 0.00 0.10 0.00 0.00 66.02 66.38 2bek s SER 124 CO 0.00 -3.84 2.12 -0.65 0.98 0.00 0.00 173.24 171.85 2bek h PRO 125 N -2.38 0.00 -0.53 4.02 0.11 -1.89 -1.42 132.00 129.91 2bek h PRO 125 Ca -0.52 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2bek h PRO 125 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2bek h PRO 125 CO 0.46 0.00 0.06 -0.07 -0.21 0.00 0.00 178.00 178.24 2bek h LEU 126 N 0.00 0.86 -0.26 2.35 3.38 -1.91 0.15 115.31 119.88 2bek h LEU 126 Ca 0.05 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2bek h LEU 126 Cb 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bek h LEU 126 CO -0.00 0.92 -0.33 0.74 0.09 0.00 0.00 178.44 179.86 2bek h THR 127 N 0.77 1.31 -0.90 0.22 2.02 -1.64 -1.62 112.91 113.07 2bek h THR 127 Ca 0.16 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 2bek h THR 127 Cb 0.45 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 2bek h THR 127 CO 0.02 0.48 0.50 0.25 0.37 0.00 0.00 175.52 177.14 2bek h LEU 128 N 0.42 1.12 -1.14 2.58 5.85 -1.15 -0.08 115.31 122.92 2bek h LEU 128 Ca 0.03 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2bek h LEU 128 Cb 0.91 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2bek h LEU 128 CO 0.08 0.89 -0.15 0.78 -0.34 0.00 0.00 178.44 179.70 2bek h ASN 129 N 1.26 0.40 -0.41 1.25 2.35 -0.60 -0.06 115.58 119.78 2bek h ASN 129 Ca 0.32 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2bek h ASN 129 Cb 0.02 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2bek h ASN 129 CO -0.05 0.59 -0.14 0.00 -1.65 0.00 0.00 177.43 176.17 2bek h ALA 130 N 1.46 0.56 0.00 -0.83 0.00 -0.26 -2.02 119.26 118.17 2bek h ALA 130 Ca 0.07 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2bek h ALA 130 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bek h ALA 130 CO 0.03 0.48 -0.43 -0.07 0.00 0.00 0.00 179.25 179.26 2bek h LEU 131 N 0.63 0.00 -0.15 0.00 3.38 -0.63 -1.30 115.31 117.24 2bek h LEU 131 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2bek h LEU 131 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2bek h LEU 131 CO 0.05 0.43 -0.23 0.00 0.09 0.00 0.00 178.44 178.78 2bek h ALA 132 N 1.57 0.86 0.00 1.53 0.00 -0.86 -3.31 119.26 119.06 2bek h ALA 132 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2bek h ALA 132 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2bek h ALA 132 CO 0.06 0.29 -1.77 0.00 0.00 0.00 0.00 179.25 177.82 2bek n ALA 133 N -2.16 2.13 -2.14 0.00 0.00 -0.77 -4.85 120.51 112.71 2bek n ALA 133 Ca 0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2bek n ALA 133 Cb 0.60 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.03 3.30 -0.08 0.00 0.00 -0.52 -4.82 121.76 116.62 2bek s ALA 134 Ca -0.06 -0.29 0.15 0.00 0.00 0.00 0.00 51.96 51.76 2bek s ALA 134 Cb 0.10 -2.76 -0.22 0.00 0.00 0.00 0.00 23.12 20.24 2bek s ALA 134 CO 0.84 -0.31 0.22 0.39 0.00 0.00 0.00 175.76 176.90 2bek n GLU 135 N -2.04 0.95 -4.15 0.00 4.71 -0.37 -4.37 120.64 115.37 2bek n GLU 135 Ca 0.03 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.16 56.95 2bek n GLU 135 Cb 0.54 -1.38 -0.11 0.00 -1.01 0.00 0.00 31.44 29.48 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 -4.28 0.77 -0.04 0.62 0.00 -0.89 -1.28 107.32 102.22 2bek s GLY 136 Ca -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.56 2bek s GLY 136 CO 0.65 -1.19 -0.09 0.14 0.00 0.00 0.00 173.10 172.61 2bek s VAL 137 N -2.33 0.81 -0.22 1.40 1.01 -0.52 -1.36 120.40 119.19 2bek s VAL 137 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2bek s VAL 137 Cb -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2bek s VAL 137 CO -0.00 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.66 2bek s VAL 138 N 0.56 3.64 -0.44 2.92 1.01 -0.15 -0.11 120.40 127.83 2bek s VAL 138 Ca -0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2bek s VAL 138 Cb -0.13 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.67 2bek s VAL 138 CO 0.01 0.41 0.30 -0.69 0.00 0.00 0.00 175.10 175.14 2bek s VAL 139 N 1.38 4.47 0.04 2.92 1.01 -0.24 -2.79 120.40 127.18 2bek s VAL 139 Ca 0.05 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 2bek s VAL 139 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2bek s VAL 139 CO -0.01 -0.56 1.07 -2.16 0.00 0.00 0.00 175.10 173.45 2bek s PRO 140 N 1.47 4.52 -0.22 2.72 0.04 -1.26 -0.73 135.00 141.53 2bek s PRO 140 Ca 0.03 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.65 2bek s PRO 140 Cb -0.24 -3.40 0.06 0.00 0.04 0.00 0.00 34.50 30.95 2bek s PRO 140 CO 0.03 -0.11 -0.06 0.08 0.04 0.00 0.00 177.00 176.98 2bek s VAL 141 N 0.93 1.49 0.36 -0.36 1.01 0.15 -4.89 120.40 119.09 2bek s VAL 141 Ca 0.54 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 2bek s VAL 141 Cb -0.25 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 2bek s VAL 141 CO 0.29 -0.05 1.48 -1.58 0.00 0.00 0.00 175.10 175.24 2bek s GLN 142 N 1.42 4.13 -0.56 2.72 0.74 -1.26 -1.25 119.66 125.60 2bek s GLN 142 Ca -0.05 2.54 -0.06 0.00 0.05 0.00 0.00 55.36 57.85 2bek s GLN 142 Cb -0.18 -2.98 -0.13 0.00 1.10 0.00 0.00 33.01 30.82 2bek s GLN 142 CO -0.07 -0.51 2.53 0.00 -0.55 0.00 0.00 175.29 176.69 2bek n ALA 143 N 0.67 5.17 -2.24 1.58 0.00 -0.65 -4.41 120.51 120.63 2bek n ALA 143 Ca 0.02 -1.86 -0.15 0.00 0.00 0.00 0.00 53.44 51.44 2bek n ALA 143 Cb 0.39 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.04 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 2.31 1.40 0.06 0.00 2.02 -1.26 -3.81 118.70 119.42 2bek s GLU 144 Ca 0.48 -1.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.41 2bek s GLU 144 Cb 0.17 0.21 -0.17 0.00 0.10 0.00 0.00 34.13 34.44 2bek s GLU 144 CO -0.02 -0.46 1.53 -0.92 0.02 0.00 0.00 175.26 175.41 2bek h TYR 145 N 2.43 -0.54 -0.69 1.61 3.20 -1.93 -2.62 116.97 118.43 2bek h TYR 145 Ca -0.33 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.62 2bek h TYR 145 Cb 1.25 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.62 2bek h TYR 145 CO 0.79 -0.28 0.33 1.88 -1.64 0.00 0.00 178.16 179.23 2bek h TYR 146 N -0.69 0.58 -0.65 -3.82 0.05 -1.99 0.16 116.97 110.61 2bek h TYR 146 Ca -0.06 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 2bek h TYR 146 Cb 0.50 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2bek h TYR 146 CO -0.02 0.19 0.08 0.00 -1.05 0.00 0.00 178.16 177.36 2bek h ALA 147 N 1.43 0.87 -0.61 3.88 0.00 -1.82 -2.72 119.26 120.29 2bek h ALA 147 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bek h ALA 147 Cb 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2bek h ALA 147 CO -0.28 0.65 0.30 1.25 0.00 0.00 0.00 179.25 181.17 2bek h LEU 148 N 1.01 0.79 -2.05 0.00 5.85 -0.86 -2.77 115.31 117.28 2bek h LEU 148 Ca 0.19 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2bek h LEU 148 Cb 0.47 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2bek h LEU 148 CO 0.02 0.69 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.70 2bek h GLU 149 N 0.83 0.00 -0.00 1.25 4.22 -0.46 -2.91 114.58 117.51 2bek h GLU 149 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.65 2bek h GLU 149 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bek h GLU 149 CO -0.03 0.03 -0.38 0.41 -2.18 0.00 0.00 179.01 176.86 2bek n GLY 150 N -1.40 -1.04 0.15 1.92 0.00 -1.05 -4.38 105.19 99.40 2bek n GLY 150 Ca -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 0.42 1.08 -0.16 1.61 2.07 -1.50 -1.27 116.25 118.50 2bek h VAL 151 Ca 0.00 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2bek h VAL 151 Cb 0.49 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2bek h VAL 151 CO 0.00 0.08 -0.21 0.00 0.02 0.00 0.00 177.57 177.46 2bek h ALA 152 N 1.12 -0.15 -0.18 1.67 0.00 -1.79 -0.65 119.26 119.29 2bek h ALA 152 Ca 0.12 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2bek h ALA 152 Cb -0.04 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2bek h ALA 152 CO -0.03 -0.66 -0.10 0.78 0.00 0.00 0.00 179.25 179.24 2bek h GLY 153 N -0.26 0.30 0.78 0.00 0.00 -1.79 -2.25 103.07 99.85 2bek h GLY 153 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2bek h GLY 153 CO -0.31 0.17 -0.01 -2.00 0.00 0.00 0.00 176.54 174.39 2bek h LEU 154 N 0.27 0.26 -1.28 3.11 6.46 -0.23 -2.31 115.31 121.60 2bek h LEU 154 Ca 0.06 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 2bek h LEU 154 Cb 0.35 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2bek h LEU 154 CO 0.02 0.52 0.03 -0.07 -0.62 0.00 0.00 178.44 178.32 2bek h LEU 155 N -0.00 0.48 -1.03 2.25 3.38 -1.00 -1.56 115.31 117.83 2bek h LEU 155 Ca 0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2bek h LEU 155 Cb 0.39 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2bek h LEU 155 CO 0.01 0.53 0.24 0.00 0.09 0.00 0.00 178.44 179.31 2bek h ALA 156 N 1.53 1.23 -0.38 1.53 0.00 -1.24 -2.03 119.26 119.91 2bek h ALA 156 Ca 0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2bek h ALA 156 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2bek h ALA 156 CO 0.01 0.56 -0.11 1.15 0.00 0.00 0.00 179.25 180.85 2bek h THR 157 N 0.92 1.28 -0.57 0.00 2.02 -0.76 -2.18 112.91 113.62 2bek h THR 157 Ca 0.21 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.23 2bek h THR 157 Cb 0.20 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2bek h THR 157 CO -0.02 0.40 0.38 -0.07 0.37 0.00 0.00 175.52 176.58 2bek h LEU 158 N 0.54 0.55 -0.74 2.58 3.38 -0.90 -0.60 115.31 120.11 2bek h LEU 158 Ca 0.09 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2bek h LEU 158 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2bek h LEU 158 CO 0.04 0.37 -0.47 -0.33 0.09 0.00 0.00 178.44 178.14 2bek h GLU 159 N 0.63 0.37 -0.47 1.13 4.39 -1.04 -1.65 114.58 117.94 2bek h GLU 159 Ca 0.23 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2bek h GLU 159 Cb 0.14 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2bek h GLU 159 CO -0.06 0.77 0.16 0.93 -1.16 0.00 0.00 179.01 179.64 2bek h GLU 160 N 0.30 0.73 -0.42 2.33 5.08 -0.51 0.35 114.58 122.44 2bek h GLU 160 Ca 0.02 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2bek h GLU 160 Cb 0.94 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2bek h GLU 160 CO 0.08 0.69 0.11 0.28 -1.00 0.00 0.00 179.01 179.17 2bek h VAL 161 N 0.63 1.23 -0.07 3.13 2.07 -1.20 -2.67 116.25 119.37 2bek h VAL 161 Ca 0.15 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2bek h VAL 161 Cb 0.25 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2bek h VAL 161 CO -0.01 0.28 -0.23 -0.09 0.02 0.00 0.00 177.57 177.54 2bek h ARG 162 N 0.55 0.12 -0.00 1.57 2.43 -1.11 0.33 114.38 118.27 2bek h ARG 162 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2bek h ARG 162 Cb 0.30 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2bek h ARG 162 CO 0.00 0.35 0.01 0.00 -1.51 0.00 0.00 179.97 178.81 2bek h ALA 163 N 1.66 1.16 0.00 2.80 0.00 -0.56 -3.28 119.26 121.05 2bek h ALA 163 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bek h ALA 163 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bek h ALA 163 CO 0.03 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2bek n GLY 164 N -1.15 -1.08 0.31 0.00 0.00 -1.04 -4.98 105.19 97.25 2bek n GLY 164 Ca -0.03 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.75 -6.22 0.99 6.46 -1.48 -3.39 115.31 112.43 2bek h LEU 165 Ca 0.00 0.03 -0.28 0.00 -0.12 0.00 0.00 57.88 57.52 2bek h LEU 165 Cb 0.00 -0.12 -0.27 0.00 -0.73 0.00 0.00 40.66 39.54 2bek h LEU 165 CO 0.00 0.45 -0.62 0.21 -0.62 0.00 0.00 178.44 177.86 2bek s ASN 166 N -5.68 0.30 0.64 1.25 2.47 0.11 -4.96 114.94 109.07 2bek s ASN 166 Ca -0.12 -1.39 0.43 0.00 0.42 0.00 0.00 52.86 52.19 2bek s ASN 166 Cb 0.19 0.99 2.30 0.00 -1.45 0.00 0.00 41.25 43.28 2bek s ASN 166 CO 0.79 -0.22 2.31 -0.65 -3.72 0.00 0.00 177.10 175.60 2bek h PRO 167 N 6.95 0.00 -0.24 0.43 0.11 -1.76 -2.26 132.00 135.23 2bek h PRO 167 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2bek h PRO 167 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bek h PRO 167 CO 0.17 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.85 2bek n ARG 168 N -3.03 1.93 -2.56 1.05 0.00 -1.26 -4.89 116.66 107.90 2bek n ARG 168 Ca -0.03 -1.41 -0.42 0.00 -0.00 0.00 0.00 57.85 55.99 2bek n ARG 168 Cb 0.08 -1.41 -0.03 0.00 -0.00 0.00 0.00 32.46 31.10 2bek n ARG 168 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2bek s LEU 169 N -1.50 4.34 0.02 2.89 2.96 -0.85 -4.57 118.68 121.98 2bek s LEU 169 Ca 0.33 1.80 -0.00 0.00 -0.22 0.00 0.00 54.13 56.04 2bek s LEU 169 Cb 0.18 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 2bek s LEU 169 CO 0.27 -0.41 -0.02 0.00 -1.32 0.00 0.00 176.35 174.86 2bek s ARG 170 N 1.32 0.29 -0.23 1.98 1.70 -0.40 -4.83 118.95 118.78 2bek s ARG 170 Ca 0.55 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.96 2bek s ARG 170 Cb -0.24 0.10 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 2bek s ARG 170 CO 0.26 -0.05 1.23 -1.17 -1.08 0.00 0.00 175.30 174.49 2bek s LEU 171 N -1.35 4.04 0.05 -1.89 2.96 -1.26 -1.44 118.68 119.80 2bek s LEU 171 Ca -0.15 1.42 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 2bek s LEU 171 Cb -0.09 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.76 2bek s LEU 171 CO -0.01 -0.87 1.08 0.25 -1.32 0.00 0.00 176.35 175.49 2bek h LEU 172 N 10.11 0.82 0.00 -0.68 5.85 -0.85 -3.45 115.31 127.11 2bek h LEU 172 Ca -0.25 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.68 2bek h LEU 172 Cb 1.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2bek h LEU 172 CO 1.00 1.61 0.00 0.61 -0.34 0.00 0.00 178.44 181.32 2bek n GLY 173 N 1.48 1.67 3.61 3.75 0.00 -1.04 -5.00 105.19 109.65 2bek n GLY 173 Ca -0.14 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 4.95 -0.22 -0.61 1.01 0.44 -1.08 121.20 123.69 2bek s ILE 174 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 2bek s ILE 174 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2bek s ILE 174 CO 0.00 0.38 0.00 -0.22 0.00 0.00 0.00 174.94 175.10 2bek s LEU 175 N 0.95 3.17 -0.07 2.97 2.96 0.09 -1.10 118.68 127.65 2bek s LEU 175 Ca 0.06 -0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 2bek s LEU 175 Cb -0.14 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2bek s LEU 175 CO 0.03 0.01 1.03 -0.69 -1.32 0.00 0.00 176.35 175.42 2bek s VAL 176 N 1.30 4.71 0.34 1.68 1.01 -1.26 0.34 120.40 128.52 2bek s VAL 176 Ca 0.04 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.07 2bek s VAL 176 Cb -0.15 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 2bek s VAL 176 CO 0.01 0.04 -0.04 0.42 0.00 0.00 0.00 175.10 175.52 2bek s THR 177 N 1.83 1.88 -1.51 3.92 -4.23 -0.38 -1.44 115.64 115.71 2bek s THR 177 Ca 0.50 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2bek s THR 177 Cb -0.20 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2bek s THR 177 CO 0.21 -0.14 0.12 0.23 -0.54 0.00 0.00 174.62 174.49 2bek n MET 178 N -0.77 -1.55 -3.21 3.99 2.81 -1.02 -1.63 117.12 115.73 2bek n MET 178 Ca -0.05 0.17 -0.40 0.00 -1.81 0.00 0.00 57.70 55.62 2bek n MET 178 Cb 0.65 -3.82 -0.07 0.00 -0.71 0.00 0.00 33.22 29.27 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 -4.27 3.31 -0.48 2.03 5.04 -0.68 -4.28 117.35 118.03 2bek s TYR 179 Ca 0.01 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 2bek s TYR 179 Cb -0.00 -2.72 0.13 0.00 0.35 0.00 0.00 41.96 39.71 2bek s TYR 179 CO 0.97 -0.21 0.26 0.34 -1.34 0.00 0.00 175.55 175.56 2bek s ASP 180 N 1.37 5.07 0.32 4.32 -1.08 -1.26 -0.81 116.67 124.60 2bek s ASP 180 Ca 0.23 -2.40 0.17 0.00 -0.52 0.00 0.00 52.55 50.03 2bek s ASP 180 Cb -0.16 -1.79 0.91 0.00 -1.46 0.00 0.00 42.92 40.43 2bek s ASP 180 CO 0.09 -0.43 1.45 0.61 0.52 0.00 0.00 175.17 177.41 2bek n GLY 181 N 4.05 -0.72 0.09 2.66 0.00 -1.26 -1.11 105.19 108.90 2bek n GLY 181 Ca 0.02 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2bek n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek n ARG 182 N -2.14 0.19 -3.82 1.61 1.74 -1.26 -4.75 116.66 108.22 2bek n ARG 182 Ca -0.01 0.26 -0.37 0.00 -0.77 0.00 0.00 57.85 56.96 2bek n ARG 182 Cb 0.19 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.81 2bek n ARG 182 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bek s THR 183 N -3.15 5.45 0.27 0.55 -4.23 -0.26 -4.99 115.64 109.27 2bek s THR 183 Ca 0.09 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2bek s THR 183 Cb 0.12 -3.44 0.11 0.00 1.34 0.00 0.00 72.50 70.63 2bek s THR 183 CO 0.49 0.61 1.77 0.25 -0.54 0.00 0.00 174.62 177.20 2bek h LEU 184 N 5.03 0.69 -0.13 4.79 5.85 -1.87 -2.81 115.31 126.86 2bek h LEU 184 Ca -0.54 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.04 2bek h LEU 184 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2bek h LEU 184 CO 0.59 0.78 -0.07 0.25 -0.34 0.00 0.00 178.44 179.66 2bek h LEU 185 N 0.67 -0.22 -0.81 2.25 5.85 -1.93 0.13 115.31 121.25 2bek h LEU 185 Ca 0.13 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2bek h LEU 185 Cb 0.46 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2bek h LEU 185 CO 0.02 -0.09 0.53 0.00 -0.34 0.00 0.00 178.44 178.56 2bek h ALA 186 N 1.06 1.04 -0.39 1.25 0.00 -1.63 0.32 119.26 120.92 2bek h ALA 186 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bek h ALA 186 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2bek h ALA 186 CO -0.17 0.41 0.19 1.96 0.00 0.00 0.00 179.25 181.64 2bek h GLN 187 N 1.07 0.56 -0.51 0.00 4.20 -1.16 -1.96 115.11 117.31 2bek h GLN 187 Ca 0.31 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 2bek h GLN 187 Cb -0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2bek h GLN 187 CO -0.08 0.49 -0.07 1.96 -0.67 0.00 0.00 178.83 180.47 2bek h GLN 188 N 0.49 0.90 -0.46 1.46 4.20 -0.33 -1.69 115.11 119.69 2bek h GLN 188 Ca 0.13 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2bek h GLN 188 Cb 0.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2bek h GLN 188 CO -0.02 0.94 0.08 0.28 -0.67 0.00 0.00 178.83 179.44 2bek h VAL 189 N 0.82 1.24 -0.51 -0.54 2.07 -0.78 -0.88 116.25 117.68 2bek h VAL 189 Ca 0.14 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2bek h VAL 189 Cb 0.58 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2bek h VAL 189 CO 0.04 0.31 0.03 -0.08 0.02 0.00 0.00 177.57 177.89 2bek h GLU 190 N 0.62 0.88 -0.53 1.57 4.81 -1.26 -1.64 114.58 119.03 2bek h GLU 190 Ca 0.14 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2bek h GLU 190 Cb 0.37 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2bek h GLU 190 CO 0.01 0.90 0.35 0.00 -0.73 0.00 0.00 179.01 179.53 2bek h ALA 191 N 0.95 0.67 -0.52 2.92 0.00 -1.11 -1.29 119.26 120.88 2bek h ALA 191 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2bek h ALA 191 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2bek h ALA 191 CO 0.02 0.11 -0.03 0.37 0.00 0.00 0.00 179.25 179.72 2bek h GLN 192 N 0.71 0.90 -0.54 0.00 4.15 -1.02 -0.29 115.11 119.02 2bek h GLN 192 Ca 0.19 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2bek h GLN 192 Cb -0.08 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2bek h GLN 192 CO -0.04 0.91 0.17 -0.07 -1.93 0.00 0.00 178.83 177.87 2bek h LEU 193 N 0.82 0.79 -0.62 -2.39 3.38 -0.85 -0.68 115.31 115.75 2bek h LEU 193 Ca 0.15 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2bek h LEU 193 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2bek h LEU 193 CO 0.03 0.78 -0.66 0.03 0.09 0.00 0.00 178.44 178.71 2bek h ARG 194 N 0.75 0.14 -0.41 1.13 3.08 -1.09 -0.14 114.38 117.84 2bek h ARG 194 Ca 0.17 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2bek h ARG 194 Cb 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2bek h ARG 194 CO -0.01 0.75 -0.22 0.00 -1.07 0.00 0.00 179.97 179.42 2bek h ALA 195 N 1.22 0.58 0.00 0.04 0.00 -0.80 0.67 119.26 120.98 2bek h ALA 195 Ca -0.01 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2bek h ALA 195 Cb 1.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2bek h ALA 195 CO 0.10 0.55 -1.37 0.45 0.00 0.00 0.00 179.25 178.98 2bek h HIS 196 N 0.69 0.00 -0.00 0.00 3.86 -1.09 -3.39 115.15 115.21 2bek h HIS 196 Ca 0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2bek h HIS 196 Cb 0.78 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2bek h HIS 196 CO 0.06 1.00 -0.01 1.19 0.86 0.00 0.00 177.93 181.04 2bek n PHE 197 N -3.19 0.00 0.00 2.45 3.72 -0.07 -5.08 117.46 115.28 2bek n PHE 197 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2bek n PHE 197 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 0.16 2.57 0.16 1.37 0.00 0.23 -1.61 105.19 108.07 2bek n GLY 198 Ca 0.01 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.41 2bek n GLY 198 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bek n GLU 199 N 14.00 0.15 0.24 1.61 0.28 -1.26 -1.91 120.64 133.75 2bek n GLU 199 Ca 0.00 0.62 0.10 0.00 -0.16 0.00 0.00 57.16 57.72 2bek n GLU 199 Cb 0.00 -1.96 0.59 0.00 1.43 0.00 0.00 31.44 31.49 2bek n GLU 199 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2bek h LYS 200 N 0.00 0.00 -5.99 3.44 1.57 -1.69 -3.42 116.57 110.48 2bek h LYS 200 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2bek h LYS 200 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 2bek h LYS 200 CO 0.00 0.19 0.36 0.08 -0.57 0.00 0.00 179.45 179.51 2bek s VAL 201 N -4.00 4.90 0.54 0.50 1.01 -0.80 -0.42 120.40 122.12 2bek s VAL 201 Ca -0.02 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 2bek s VAL 201 Cb 0.12 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2bek s VAL 201 CO 0.62 0.06 1.35 0.49 0.00 0.00 0.00 175.10 177.62 2bek n PHE 202 N 5.00 2.28 -0.14 5.22 3.72 -0.26 -4.90 117.46 128.39 2bek n PHE 202 Ca 0.04 0.43 -0.10 0.00 -0.05 0.00 0.00 57.45 57.77 2bek n PHE 202 Cb 0.49 -2.36 0.04 0.00 -0.94 0.00 0.00 39.48 36.71 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 1.44 1.06 -3.03 1.38 4.06 -1.94 -3.43 115.95 115.49 2bek h TRP 203 Ca -0.51 -0.24 -0.54 0.00 2.06 0.00 0.00 58.89 59.66 2bek h TRP 203 Cb 1.30 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 2bek h TRP 203 CO 0.45 1.03 0.73 0.99 -3.56 0.00 0.00 178.44 178.08 2bek s THR 204 N -4.71 3.90 -0.09 1.49 2.01 -1.26 -5.02 115.64 111.95 2bek s THR 204 Ca -0.11 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2bek s THR 204 Cb 0.13 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2bek s THR 204 CO 0.86 0.03 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.00 2bek s VAL 205 N 1.94 3.13 -0.28 3.82 1.01 -1.26 -4.52 120.40 124.24 2bek s VAL 205 Ca 0.60 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 2bek s VAL 205 Cb -0.30 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2bek s VAL 205 CO 0.26 0.56 0.73 -0.63 0.00 0.00 0.00 175.10 176.02 2bek s ILE 206 N -0.21 4.87 0.54 2.22 -1.09 -0.52 -4.91 121.20 122.10 2bek s ILE 206 Ca 0.01 1.20 -0.17 0.00 -2.23 0.00 0.00 60.65 59.46 2bek s ILE 206 Cb -0.13 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 2bek s ILE 206 CO 0.03 -0.13 1.01 -2.16 -1.23 0.00 0.00 174.94 172.47 2bek s PRO 207 N 2.77 3.73 0.04 2.79 0.04 -1.26 -1.69 135.00 141.41 2bek s PRO 207 Ca 0.30 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 2bek s PRO 207 Cb -0.15 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2bek s PRO 207 CO 0.10 -0.46 1.27 0.50 0.04 0.00 0.00 177.00 178.45 2bek s ARG 208 N -3.96 4.37 -0.22 4.56 3.52 0.01 -4.52 118.95 122.71 2bek s ARG 208 Ca 0.61 1.84 -0.08 0.00 -0.13 0.00 0.00 55.73 57.97 2bek s ARG 208 Cb -0.12 -3.41 0.10 0.00 -1.56 0.00 0.00 34.95 29.96 2bek s ARG 208 CO 0.31 -0.38 0.48 1.21 -0.81 0.00 0.00 175.30 176.12 2bek s ASN 209 N 1.29 -0.50 0.58 -2.12 3.84 -1.26 -4.93 114.94 111.84 2bek s ASN 209 Ca 0.60 1.14 0.28 0.00 0.21 0.00 0.00 52.86 55.09 2bek s ASN 209 Cb -0.30 1.55 1.52 0.00 -0.55 0.00 0.00 41.25 43.46 2bek s ASN 209 CO 0.28 -0.23 1.96 1.62 -2.79 0.00 0.00 177.10 177.94 2bek h VAL 210 N 6.07 0.43 -0.22 -5.21 3.04 -2.01 -0.67 116.25 117.69 2bek h VAL 210 Ca -0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2bek h VAL 210 Cb 1.11 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2bek h VAL 210 CO 0.12 0.00 0.14 0.03 -1.01 0.00 0.00 177.57 176.85 2bek h ARG 211 N 0.00 0.28 -0.21 4.17 2.47 -1.99 0.02 114.38 119.13 2bek h ARG 211 Ca 0.19 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.81 2bek h ARG 211 Cb 0.99 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2bek h ARG 211 CO -0.00 0.19 -0.22 -0.07 0.56 0.00 0.00 179.97 180.43 2bek h LEU 212 N 0.29 0.38 0.00 3.04 3.38 -1.53 -1.43 115.31 119.44 2bek h LEU 212 Ca 0.08 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 2bek h LEU 212 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2bek h LEU 212 CO -0.02 0.62 -1.01 0.00 0.09 0.00 0.00 178.44 178.12 2bek h ALA 213 N 1.42 0.41 -0.14 1.53 0.00 -1.25 -3.34 119.26 117.89 2bek h ALA 213 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 2bek h ALA 213 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bek h ALA 213 CO 0.04 1.22 -0.33 0.93 0.00 0.00 0.00 179.25 181.11 2bek h GLU 214 N 0.00 0.47 -0.97 0.00 5.08 -0.78 -3.37 114.58 115.01 2bek h GLU 214 Ca -0.03 -0.32 0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2bek h GLU 214 Cb 1.75 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.88 2bek h GLU 214 CO 0.12 0.93 -0.33 0.00 -1.00 0.00 0.00 179.01 178.73 2bek n ALA 215 N -2.50 0.00 0.03 3.43 0.00 -0.56 -0.60 120.51 120.31 2bek n ALA 215 Ca -0.07 1.01 0.14 0.00 0.00 0.00 0.00 53.44 54.52 2bek n ALA 215 Cb 0.49 -0.51 0.60 0.00 0.00 0.00 0.00 19.45 20.04 2bek n ALA 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bek h PRO 216 N 0.00 0.16 0.00 0.00 0.11 -1.71 -0.98 132.00 129.58 2bek h PRO 216 Ca 0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2bek h PRO 216 Cb 0.63 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2bek h PRO 216 CO -0.98 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 177.58 2bek h SER 217 N 0.17 0.00 -0.22 -2.05 4.64 -1.07 -0.83 113.55 114.19 2bek h SER 217 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2bek h SER 217 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2bek h SER 217 CO -0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 2bek n PHE 218 N -3.07 0.27 -2.09 4.77 3.72 -0.42 -4.95 117.46 115.68 2bek n PHE 218 Ca -0.01 -0.17 -0.13 0.00 -0.05 0.00 0.00 57.45 57.10 2bek n PHE 218 Cb 0.20 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.14 0.10 3.35 1.37 0.00 -0.32 -4.86 105.19 105.98 2bek n GLY 219 Ca 0.14 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.37 1.31 0.81 1.61 1.02 -0.90 -3.84 119.74 115.38 2bek s LYS 220 Ca 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.51 2bek s LYS 220 Cb 0.00 -1.56 0.08 0.00 -0.52 0.00 0.00 37.83 35.83 2bek s LYS 220 CO 0.00 0.34 1.16 0.95 -0.92 0.00 0.00 175.35 176.88 2bek s THR 221 N -1.56 2.28 0.40 2.17 -4.23 -1.26 -3.71 115.64 109.73 2bek s THR 221 Ca 0.14 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.91 2bek s THR 221 Cb -0.08 -3.04 0.16 0.00 1.34 0.00 0.00 72.50 70.88 2bek s THR 221 CO 0.07 -0.12 1.93 -0.29 -0.54 0.00 0.00 174.62 175.66 2bek h ILE 222 N -1.06 1.06 0.00 2.99 6.09 -1.93 0.06 117.51 124.72 2bek h ILE 222 Ca -0.47 -0.92 -0.03 0.00 -1.37 0.00 0.00 64.86 62.08 2bek h ILE 222 Cb 1.32 1.51 -0.00 0.00 0.47 0.00 0.00 36.82 40.11 2bek h ILE 222 CO 0.65 0.25 -0.15 0.00 -3.07 0.00 0.00 178.15 175.83 2bek h ALA 223 N 1.74 1.44 0.10 0.18 0.00 -1.92 -0.63 119.26 120.18 2bek h ALA 223 Ca -0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 2bek h ALA 223 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2bek h ALA 223 CO 0.03 0.19 -2.07 1.04 0.00 0.00 0.00 179.25 178.44 2bek n GLN 224 N -3.91 0.74 -0.02 0.00 6.02 -0.60 -4.04 117.38 115.57 2bek n GLN 224 Ca -0.02 0.24 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 2bek n GLN 224 Cb 0.24 -1.68 -0.12 0.00 1.02 0.00 0.00 30.24 29.71 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 0.06 0.31 -1.14 1.08 2.76 -0.87 -3.43 115.15 113.92 2bek h HIS 225 Ca -0.45 -0.17 -0.40 0.00 -2.20 0.00 0.00 60.37 57.15 2bek h HIS 225 Cb 2.01 -0.03 -0.28 0.00 1.55 0.00 0.00 27.41 30.67 2bek h HIS 225 CO 0.07 0.99 -0.82 0.00 -1.30 0.00 0.00 177.93 176.87 2bek n ALA 226 N -2.56 0.66 0.31 5.26 0.00 -0.26 -5.01 120.51 118.91 2bek n ALA 226 Ca -0.10 -2.45 0.16 0.00 0.00 0.00 0.00 53.44 51.06 2bek n ALA 226 Cb 0.55 -1.06 0.85 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.35 0.00 0.13 -1.67 -1.71 132.00 132.52 2bek h PRO 227 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.38 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.40 2bek n THR 228 N -3.00 1.16 -2.01 1.56 -2.24 -1.26 -4.64 114.28 103.85 2bek n THR 228 Ca -0.01 -1.11 -0.30 0.00 -2.27 0.00 0.00 64.05 60.36 2bek n THR 228 Cb 0.37 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.11 5.88 0.33 3.42 1.04 -0.64 -4.89 113.70 117.73 2bek s SER 229 Ca 0.26 1.18 0.06 0.00 0.48 0.00 0.00 55.95 57.93 2bek s SER 229 Cb 0.15 -2.16 0.71 0.00 0.10 0.00 0.00 66.02 64.81 2bek s SER 229 CO 0.15 -1.03 1.88 -0.65 0.98 0.00 0.00 173.24 174.57 2bek h PRO 230 N -0.37 0.79 -0.26 4.02 0.11 -1.96 -1.42 132.00 132.92 2bek h PRO 230 Ca -0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2bek h PRO 230 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2bek h PRO 230 CO 0.62 0.53 -0.34 0.78 -0.21 0.00 0.00 178.00 179.38 2bek h GLY 231 N 0.82 0.60 0.80 -0.55 0.00 -1.91 -1.70 103.07 101.12 2bek h GLY 231 Ca 0.43 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2bek h GLY 231 CO -0.19 0.51 -0.03 0.00 0.00 0.00 0.00 176.54 176.83 2bek h ALA 232 N 1.16 0.25 -0.91 3.60 0.00 -1.51 -1.77 119.26 120.07 2bek h ALA 232 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2bek h ALA 232 Cb 0.82 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2bek h ALA 232 CO 0.07 0.01 0.55 0.45 0.00 0.00 0.00 179.25 180.32 2bek h HIS 233 N 0.07 1.20 -0.27 0.00 3.86 -1.28 -0.95 115.15 117.79 2bek h HIS 233 Ca 0.05 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2bek h HIS 233 Cb 0.46 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2bek h HIS 233 CO 0.05 0.80 0.07 0.00 0.86 0.00 0.00 177.93 179.70 2bek h ALA 234 N 1.30 0.36 0.00 2.45 0.00 -1.21 -0.82 119.26 121.33 2bek h ALA 234 Ca 0.33 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2bek h ALA 234 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bek h ALA 234 CO -0.06 0.02 -0.43 1.88 0.00 0.00 0.00 179.25 180.66 2bek h TYR 235 N 0.27 0.00 -0.25 0.00 0.05 -1.12 0.15 116.97 116.07 2bek h TYR 235 Ca 0.09 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 2bek h TYR 235 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2bek h TYR 235 CO 0.01 0.43 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.29 2bek h ARG 236 N 0.00 0.55 -0.80 4.88 1.12 -0.97 -1.22 114.38 117.94 2bek h ARG 236 Ca -0.00 -0.26 -0.04 0.00 -1.11 0.00 0.00 59.98 58.56 2bek h ARG 236 Cb 0.84 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.75 2bek h ARG 236 CO 0.06 0.83 0.33 0.00 -3.11 0.00 0.00 179.97 178.08 2bek h ARG 237 N 0.27 1.18 -0.80 0.20 2.47 -0.80 -2.61 114.38 114.30 2bek h ARG 237 Ca 0.05 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.52 2bek h ARG 237 Cb 0.69 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2bek h ARG 237 CO 0.05 0.95 0.34 1.25 0.56 0.00 0.00 179.97 183.11 2bek h LEU 238 N 1.15 1.07 -1.15 3.04 5.85 -0.50 -1.90 115.31 122.88 2bek h LEU 238 Ca 0.27 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2bek h LEU 238 Cb 0.19 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2bek h LEU 238 CO -0.02 0.94 0.58 0.00 -0.34 0.00 0.00 178.44 179.59 2bek h ALA 239 N 1.22 1.47 -0.38 1.25 0.00 -0.85 0.23 119.26 122.20 2bek h ALA 239 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2bek h ALA 239 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2bek h ALA 239 CO -0.03 0.43 0.11 0.93 0.00 0.00 0.00 179.25 180.69 2bek h GLU 240 N 1.08 0.59 -0.71 0.00 5.08 -1.17 -1.64 114.58 117.82 2bek h GLU 240 Ca 0.36 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2bek h GLU 240 Cb 0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2bek h GLU 240 CO -0.12 0.61 0.24 0.93 -1.00 0.00 0.00 179.01 179.67 2bek h GLU 241 N 0.46 1.08 -0.47 2.33 5.08 -0.50 -2.00 114.58 120.57 2bek h GLU 241 Ca 0.12 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2bek h GLU 241 Cb 0.27 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2bek h GLU 241 CO -0.00 0.92 0.22 0.28 -1.00 0.00 0.00 179.01 179.43 2bek h VAL 242 N 1.03 1.19 -0.63 3.13 2.07 -0.43 -1.53 116.25 121.07 2bek h VAL 242 Ca 0.23 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2bek h VAL 242 Cb 0.27 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2bek h VAL 242 CO -0.01 0.21 0.25 0.24 0.02 0.00 0.00 177.57 178.28 2bek h MET 243 N 0.61 0.91 -0.52 1.57 2.86 -1.11 0.11 114.93 119.36 2bek h MET 243 Ca 0.16 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2bek h MET 243 Cb 0.13 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2bek h MET 243 CO -0.02 0.74 0.13 0.00 1.06 0.00 0.00 176.91 178.83 2bek h ALA 244 N 1.38 0.68 0.00 6.32 0.00 -0.97 -0.86 119.26 125.81 2bek h ALA 244 Ca 0.21 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2bek h ALA 244 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bek h ALA 244 CO -0.02 0.37 -0.59 0.00 0.00 0.00 0.00 179.25 179.02 2bek h ARG 245 N 0.72 0.00 -0.16 0.00 3.08 -0.87 -0.86 114.38 116.30 2bek h ARG 245 Ca 0.16 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2bek h ARG 245 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2bek h ARG 245 CO 0.00 0.59 -0.11 0.28 -1.07 0.00 0.00 179.97 179.65 2bek h VAL 246 N 0.00 1.33 0.00 2.04 2.07 -0.71 -3.01 116.25 117.97 2bek h VAL 246 Ca -0.01 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 2bek h VAL 246 Cb 1.05 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2bek h VAL 246 CO 0.08 0.36 -0.32 1.56 0.02 0.00 0.00 177.57 179.26 2bek h GLN 247 N 0.00 0.00 -7.25 1.57 4.20 -1.10 -3.42 115.11 109.11 2bek h GLN 247 Ca 0.03 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.24 2bek h GLN 247 Cb 0.62 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.46 2bek h GLN 247 CO 0.03 0.32 0.38 -2.00 -0.67 0.00 0.00 178.83 176.89 2bek s GLU 248 N -3.84 3.37 0.00 1.46 2.56 -0.33 -5.10 118.70 116.81 2bek s GLU 248 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.00 2bek s GLU 248 Cb 0.12 -2.05 0.00 0.00 2.00 0.00 0.00 34.13 34.20 2bek s GLU 248 CO 0.67 -0.76 0.00 0.00 -0.56 0.00 0.00 175.26 174.61