#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bks h GLU 2 N 0.00 0.57 -0.87 2.12 4.11 -1.92 -2.50 114.58 116.10 1bks h GLU 2 Ca 0.00 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.42 1bks h GLU 2 Cb 0.00 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1bks h GLU 2 CO 0.00 0.38 0.57 0.00 0.07 0.00 0.00 179.01 180.03 1bks h ARG 3 N 0.59 1.10 0.03 1.06 3.08 -1.98 -1.60 114.38 116.67 1bks h ARG 3 Ca 0.49 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 1bks h ARG 3 Cb 0.76 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1bks h ARG 3 CO -0.40 0.73 -0.01 1.88 -1.07 0.00 0.00 179.97 181.10 1bks h TYR 4 N 1.13 -0.04 -0.95 3.04 0.05 -1.82 0.06 116.97 118.44 1bks h TYR 4 Ca 0.33 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.21 1bks h TYR 4 Cb -0.07 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.61 1bks h TYR 4 CO -0.02 0.11 0.61 1.49 -1.05 0.00 0.00 178.16 179.30 1bks h GLU 5 N -0.17 0.93 -0.02 4.88 4.81 -1.45 -0.11 114.58 123.44 1bks h GLU 5 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bks h GLU 5 Cb 0.16 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1bks h GLU 5 CO 0.01 0.62 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.99 1bks h ASN 6 N 0.96 0.04 0.41 1.04 4.21 -0.99 -2.67 115.58 118.59 1bks h ASN 6 Ca 0.45 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 1bks h ASN 6 Cb 0.43 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1bks h ASN 6 CO -0.21 0.37 -0.33 0.25 -1.29 0.00 0.00 177.43 176.22 1bks h LEU 7 N -0.29 -0.87 -2.33 1.61 5.85 -0.20 -2.02 115.31 117.06 1bks h LEU 7 Ca 0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1bks h LEU 7 Cb 0.35 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1bks h LEU 7 CO 0.00 -0.48 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.33 1bks h PHE 8 N -0.74 0.00 0.21 1.25 0.04 -1.12 0.18 116.94 116.77 1bks h PHE 8 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1bks h PHE 8 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1bks h PHE 8 CO -0.16 0.02 -0.10 0.00 -0.60 0.00 0.00 178.31 177.47 1bks h ALA 9 N 1.98 -0.29 -0.67 2.45 0.00 -1.17 -2.94 119.26 118.61 1bks h ALA 9 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1bks h ALA 9 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1bks h ALA 9 CO 0.00 -0.35 0.34 1.96 0.00 0.00 0.00 179.25 181.21 1bks h GLN 10 N -0.92 0.59 -0.97 0.00 4.20 -0.92 -1.52 115.11 115.58 1bks h GLN 10 Ca -0.03 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.74 1bks h GLN 10 Cb 0.49 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1bks h GLN 10 CO 0.05 0.39 0.61 -0.07 -0.67 0.00 0.00 178.83 179.14 1bks h LEU 11 N 0.61 0.93 -0.20 1.46 3.38 -1.05 -2.65 115.31 117.79 1bks h LEU 11 Ca 0.32 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1bks h LEU 11 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1bks h LEU 11 CO -0.23 0.55 0.05 -1.13 0.09 0.00 0.00 178.44 177.77 1bks h ASN 12 N 1.04 0.30 -0.14 -0.43 -0.73 -1.10 0.48 115.58 115.00 1bks h ASN 12 Ca 0.45 -0.23 0.02 0.00 1.87 0.00 0.00 56.30 58.41 1bks h ASN 12 Cb 0.32 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1bks h ASN 12 CO -0.22 0.45 0.10 0.44 -0.37 0.00 0.00 177.43 177.83 1bks h ASP 13 N 0.14 0.10 -0.66 1.15 3.32 -1.12 0.19 116.42 119.54 1bks h ASP 13 Ca 0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1bks h ASP 13 Cb 0.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bks h ASP 13 CO 0.00 0.07 0.00 0.54 -1.72 0.00 0.00 179.24 178.13 1bks n ARG 14 N -4.51 2.62 -3.93 3.56 1.74 -1.03 -4.98 116.66 110.12 1bks n ARG 14 Ca -0.00 -2.50 -0.30 0.00 -0.77 0.00 0.00 57.85 54.27 1bks n ARG 14 Cb 0.14 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1bks n ARG 14 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bks n ARG 15 N 1.56 -0.53 -4.22 5.56 1.74 0.66 -4.94 116.66 116.48 1bks n ARG 15 Ca 0.23 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1bks n ARG 15 Cb 0.60 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.66 1bks n ARG 15 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1bks s GLU 16 N -6.45 1.05 0.22 5.56 -1.05 -0.29 -4.85 118.70 112.89 1bks s GLU 16 Ca 0.30 -1.50 0.02 0.00 -0.15 0.00 0.00 54.97 53.65 1bks s GLU 16 Cb -0.17 -0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.28 1bks s GLU 16 CO 0.64 -0.13 0.38 0.20 0.95 0.00 0.00 175.26 177.30 1bks s GLY 17 N -3.14 1.50 0.07 -3.83 0.00 -0.76 -4.47 107.32 96.69 1bks s GLY 17 Ca 0.22 -1.03 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 1bks s GLY 17 CO 0.02 -1.01 0.68 0.00 0.00 0.00 0.00 173.10 172.79 1bks s ALA 18 N -1.94 3.47 -0.27 3.20 0.00 -0.36 -4.75 121.76 121.10 1bks s ALA 18 Ca 0.36 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1bks s ALA 18 Cb -0.10 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1bks s ALA 18 CO 0.30 0.22 0.03 0.12 0.00 0.00 0.00 175.76 176.43 1bks s PHE 19 N -0.61 3.10 -0.30 0.00 5.36 -1.26 -0.71 117.98 123.55 1bks s PHE 19 Ca 0.34 -1.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.25 1bks s PHE 19 Cb -0.20 -2.18 0.08 0.00 -0.34 0.00 0.00 43.02 40.38 1bks s PHE 19 CO 0.22 -0.60 0.01 0.08 -1.46 0.00 0.00 175.22 173.47 1bks s VAL 20 N 1.46 1.88 0.51 3.12 1.01 -0.50 -1.19 120.40 126.69 1bks s VAL 20 Ca 0.03 -1.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.00 1bks s VAL 20 Cb -0.16 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 1bks s VAL 20 CO -0.00 -0.40 1.00 -2.16 0.00 0.00 0.00 175.10 173.53 1bks s PRO 21 N 1.15 3.88 -0.01 2.72 0.04 -1.26 -0.20 135.00 141.32 1bks s PRO 21 Ca 0.04 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1bks s PRO 21 Cb -0.19 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1bks s PRO 21 CO -0.10 -0.34 -0.13 0.12 0.04 0.00 0.00 177.00 176.60 1bks s PHE 22 N -2.41 2.74 0.08 0.56 2.19 -1.03 -2.22 117.98 117.88 1bks s PHE 22 Ca 0.62 -0.14 -0.14 0.00 0.33 0.00 0.00 56.93 57.60 1bks s PHE 22 Cb -0.12 -1.59 0.02 0.00 -1.31 0.00 0.00 43.02 40.03 1bks s PHE 22 CO 0.27 0.27 0.31 0.08 1.83 0.00 0.00 175.22 177.98 1bks s VAL 23 N -0.86 0.09 -0.24 3.12 1.01 -0.89 -4.43 120.40 118.20 1bks s VAL 23 Ca 0.14 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1bks s VAL 23 Cb -0.11 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1bks s VAL 23 CO 0.04 -0.41 0.16 -0.89 0.00 0.00 0.00 175.10 173.99 1bks s THR 24 N -3.24 5.34 0.15 3.92 2.01 -1.26 -1.09 115.64 121.47 1bks s THR 24 Ca -0.00 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 1bks s THR 24 Cb 0.01 -3.49 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1bks s THR 24 CO -0.08 0.35 1.69 -0.76 -0.69 0.00 0.00 174.62 175.13 1bks s LEU 25 N 1.00 4.38 0.00 4.42 1.43 0.40 -2.35 118.68 127.96 1bks s LEU 25 Ca 0.07 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1bks s LEU 25 Cb -0.13 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1bks s LEU 25 CO 0.04 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1bks n GLY 26 N 3.97 0.76 3.65 -3.19 0.00 -1.26 -4.66 105.19 104.46 1bks n GLY 26 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1bks n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bks s ASP 27 N -2.54 6.21 0.00 1.61 2.15 -0.99 -1.04 116.67 122.07 1bks s ASP 27 Ca 0.00 0.23 0.26 0.00 0.43 0.00 0.00 52.55 53.47 1bks s ASP 27 Cb 0.00 -2.16 0.64 0.00 -0.30 0.00 0.00 42.92 41.11 1bks s ASP 27 CO 0.00 -0.03 1.50 -0.81 -0.17 0.00 0.00 175.17 175.66 1bks n PRO 28 N 4.59 0.36 -4.01 4.34 -0.04 -1.26 -4.19 135.00 134.79 1bks n PRO 28 Ca -0.12 -0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.04 1bks n PRO 28 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1bks n PRO 28 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bks s GLY 29 N -2.78 0.60 -0.02 0.55 0.00 -0.21 -4.71 107.32 100.74 1bks s GLY 29 Ca 0.17 -0.93 -0.25 0.00 0.00 0.00 0.00 44.72 43.71 1bks s GLY 29 CO 0.62 -0.69 1.19 -2.22 0.00 0.00 0.00 173.10 172.00 1bks h ILE 30 N 2.29 1.18 -0.05 0.90 2.04 -1.92 0.12 117.51 122.08 1bks h ILE 30 Ca -0.27 -1.06 -0.13 0.00 1.00 0.00 0.00 64.86 64.40 1bks h ILE 30 Cb 1.25 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1bks h ILE 30 CO 0.37 0.26 -0.56 1.05 0.00 0.00 0.00 178.15 179.26 1bks h GLU 31 N -0.60 0.14 -0.35 2.37 9.09 -1.98 -1.05 114.58 122.20 1bks h GLU 31 Ca -0.01 -0.09 -0.16 0.00 0.05 0.00 0.00 59.36 59.15 1bks h GLU 31 Cb 0.50 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1bks h GLU 31 CO 0.02 0.67 -0.41 1.96 0.05 0.00 0.00 179.01 181.29 1bks h GLN 32 N 0.11 0.88 -0.41 1.06 7.50 -1.93 -0.41 115.11 121.91 1bks h GLN 32 Ca -0.00 -0.48 -0.06 0.00 0.50 0.00 0.00 58.65 58.61 1bks h GLN 32 Cb 1.03 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.56 1bks h GLN 32 CO 0.08 1.12 0.01 1.03 -1.50 0.00 0.00 178.83 179.58 1bks h SER 33 N 0.72 0.70 -0.55 1.46 0.87 -0.73 -0.55 113.55 115.46 1bks h SER 33 Ca 0.05 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 60.23 1bks h SER 33 Cb 1.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1bks h SER 33 CO 0.10 0.82 0.02 -0.07 -0.53 0.00 0.00 176.83 177.17 1bks h LEU 34 N 0.55 0.96 -0.87 2.23 3.38 -1.10 -0.91 115.31 119.55 1bks h LEU 34 Ca 0.12 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1bks h LEU 34 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1bks h LEU 34 CO 0.02 1.00 -0.19 0.50 0.09 0.00 0.00 178.44 179.86 1bks h LYS 35 N 0.91 0.63 -0.21 1.13 1.63 -0.88 -2.56 116.57 117.22 1bks h LYS 35 Ca 0.17 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 1bks h LYS 35 Cb 0.50 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1bks h LYS 35 CO 0.02 0.78 -0.08 0.82 -3.45 0.00 0.00 179.45 177.55 1bks h ILE 36 N 0.56 1.30 -0.62 2.00 2.04 -0.65 -2.97 117.51 119.17 1bks h ILE 36 Ca 0.09 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1bks h ILE 36 Cb 0.64 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1bks h ILE 36 CO 0.05 0.34 0.17 0.40 0.00 0.00 0.00 178.15 179.10 1bks h ILE 37 N 0.14 1.24 -0.05 -0.67 2.04 -1.08 -1.60 117.51 117.52 1bks h ILE 37 Ca 0.05 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1bks h ILE 37 Cb 0.55 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1bks h ILE 37 CO 0.03 0.32 -0.20 0.44 0.00 0.00 0.00 178.15 178.74 1bks h ASP 38 N 0.91 0.08 -0.01 1.72 3.32 -1.45 -2.12 116.42 118.87 1bks h ASP 38 Ca 0.20 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1bks h ASP 38 Cb 0.29 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bks h ASP 38 CO -0.00 0.28 -0.21 0.74 -1.72 0.00 0.00 179.24 178.33 1bks h THR 39 N 0.08 1.52 -0.66 0.35 2.02 -1.25 -2.26 112.91 112.72 1bks h THR 39 Ca 0.01 -1.84 0.10 0.00 0.77 0.00 0.00 66.41 65.45 1bks h THR 39 Cb 0.40 2.66 -0.07 0.00 -1.74 0.00 0.00 68.15 69.39 1bks h THR 39 CO 0.03 0.50 0.29 -0.07 0.37 0.00 0.00 175.52 176.64 1bks h LEU 40 N -0.47 0.33 -0.36 2.58 3.38 -1.05 0.53 115.31 120.25 1bks h LEU 40 Ca -0.02 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1bks h LEU 40 Cb 0.93 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1bks h LEU 40 CO 0.04 0.19 -0.26 0.40 0.09 0.00 0.00 178.44 178.90 1bks h ILE 41 N 0.49 1.29 -0.09 1.22 2.04 -1.47 -0.65 117.51 120.33 1bks h ILE 41 Ca 0.33 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.66 1bks h ILE 41 Cb 0.38 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1bks h ILE 41 CO -0.29 0.47 -0.47 -0.78 0.00 0.00 0.00 178.15 177.08 1bks h ASP 42 N 0.60 0.25 0.72 1.72 3.58 -0.76 -2.79 116.42 119.74 1bks h ASP 42 Ca 0.07 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1bks h ASP 42 Cb 0.83 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1bks h ASP 42 CO 0.07 0.68 0.00 0.00 -2.88 0.00 0.00 179.24 177.11 1bks n ALA 43 N -2.47 2.21 0.00 -0.78 0.00 0.18 -4.90 120.51 114.75 1bks n ALA 43 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bks n ALA 43 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1bks n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bks n GLY 44 N 1.03 0.92 3.66 0.00 0.00 -1.05 -3.39 105.19 106.36 1bks n GLY 44 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 1bks n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bks n ALA 45 N 0.00 0.94 0.04 4.61 0.00 -0.27 -4.86 120.51 120.97 1bks n ALA 45 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1bks n ALA 45 Cb 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.05 1bks n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bks h ASP 46 N 4.61 0.22 -5.58 0.00 3.32 -1.49 -3.44 116.42 114.06 1bks h ASP 46 Ca -0.45 -0.33 -0.31 0.00 0.02 0.00 0.00 57.03 55.96 1bks h ASP 46 Cb 1.28 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1bks h ASP 46 CO 0.79 1.27 -0.20 0.00 -1.72 0.00 0.00 179.24 179.38 1bks s ALA 47 N -2.63 0.94 -0.00 3.45 0.00 -1.24 -4.31 121.76 117.97 1bks s ALA 47 Ca -0.07 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1bks s ALA 47 Cb 0.08 1.18 -0.00 0.00 0.00 0.00 0.00 23.12 24.38 1bks s ALA 47 CO 0.84 -0.78 -0.04 -0.51 0.00 0.00 0.00 175.76 175.27 1bks s LEU 48 N -3.27 1.98 -0.23 0.00 1.43 -0.90 -4.15 118.68 113.54 1bks s LEU 48 Ca 0.32 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1bks s LEU 48 Cb -0.00 -0.19 0.04 0.00 0.03 0.00 0.00 46.19 46.06 1bks s LEU 48 CO 0.22 0.04 -0.15 -0.70 0.23 0.00 0.00 176.35 176.00 1bks s GLU 49 N -0.06 2.59 -0.06 1.70 2.12 -0.94 -0.68 118.70 123.37 1bks s GLU 49 Ca 0.01 -1.11 0.04 0.00 0.36 0.00 0.00 54.97 54.27 1bks s GLU 49 Cb -0.02 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1bks s GLU 49 CO -0.00 -0.41 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.63 1bks s LEU 50 N 1.19 2.53 -0.04 2.70 1.43 0.23 -2.10 118.68 124.62 1bks s LEU 50 Ca -0.03 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1bks s LEU 50 Cb -0.17 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1bks s LEU 50 CO -0.08 0.29 0.02 -0.83 0.23 0.00 0.00 176.35 175.98 1bks s GLY 51 N -0.42 1.90 -0.28 -3.19 0.00 -0.25 0.21 107.32 105.29 1bks s GLY 51 Ca 0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1bks s GLY 51 CO 0.02 -0.70 0.11 0.14 0.00 0.00 0.00 173.10 172.67 1bks s VAL 52 N -1.03 4.39 -0.01 1.40 1.01 -1.21 -0.45 120.40 124.50 1bks s VAL 52 Ca 0.18 -0.37 -0.38 0.00 0.00 0.00 0.00 61.98 61.42 1bks s VAL 52 Cb -0.12 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 1bks s VAL 52 CO 0.08 0.17 1.45 -2.65 0.00 0.00 0.00 175.10 174.16 1bks n PRO 53 N 4.94 1.17 -4.22 2.72 -0.02 -1.26 -4.88 135.00 133.45 1bks n PRO 53 Ca -0.15 0.42 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 1bks n PRO 53 Cb 0.50 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 1bks n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1bks s PHE 54 N 1.33 1.25 0.15 6.00 5.36 -1.26 -4.86 117.98 125.95 1bks s PHE 54 Ca 0.88 -0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1bks s PHE 54 Cb -0.98 -0.71 -0.00 0.00 -0.34 0.00 0.00 43.02 40.99 1bks s PHE 54 CO 0.52 0.06 1.55 0.66 -1.46 0.00 0.00 175.22 176.55 1bks h SER 55 N 4.43 0.94 -2.45 6.13 4.64 -1.98 -3.39 113.55 121.86 1bks h SER 55 Ca -0.40 -0.38 -0.60 0.00 -0.47 0.00 0.00 61.79 59.94 1bks h SER 55 Cb 1.19 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 62.61 1bks h SER 55 CO 0.41 1.10 -0.77 0.47 -0.87 0.00 0.00 176.83 177.17 1bks n ASP 56 N -4.20 1.93 -4.11 4.97 9.92 -1.26 -5.02 116.55 118.78 1bks n ASP 56 Ca -0.00 -3.00 -0.42 0.00 -0.53 0.00 0.00 54.79 50.84 1bks n ASP 56 Cb 0.41 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1bks n ASP 56 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1bks n PRO 57 N 1.71 3.01 0.00 -0.24 -0.04 -1.26 -4.75 135.00 133.42 1bks n PRO 57 Ca 0.25 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1bks n PRO 57 Cb 0.43 -3.38 0.02 0.00 -0.04 0.00 0.00 33.50 30.53 1bks n PRO 57 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1bks n LEU 58 N 7.12 0.00 0.00 1.53 -0.00 -1.26 -1.28 117.00 123.11 1bks n LEU 58 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1bks n LEU 58 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1bks n LEU 58 CO 0.84 0.00 0.31 0.00 -0.00 0.00 0.00 177.39 178.54 1bks n ALA 59 N -0.53 1.83 -2.53 1.47 0.00 -1.26 -5.07 120.51 114.42 1bks n ALA 59 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 1bks n ALA 59 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1bks n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bks s ASP 60 N -0.37 3.94 0.50 0.00 1.01 -0.40 -5.15 116.67 116.20 1bks s ASP 60 Ca 0.00 -0.95 0.04 0.00 0.71 0.00 0.00 52.55 52.35 1bks s ASP 60 Cb 0.00 -0.48 0.02 0.00 1.01 0.00 0.00 42.92 43.48 1bks s ASP 60 CO 0.00 -0.04 0.70 -0.83 0.21 0.00 0.00 175.17 175.21 1bks s GLY 61 N -3.60 1.87 0.46 0.21 0.00 -1.26 -4.86 107.32 100.15 1bks s GLY 61 Ca 0.31 -1.45 0.22 0.00 0.00 0.00 0.00 44.72 43.80 1bks s GLY 61 CO 0.17 -1.20 1.87 -0.56 0.00 0.00 0.00 173.10 173.38 1bks h PRO 62 N 0.28 0.26 -0.24 2.90 0.13 -1.99 0.36 132.00 133.70 1bks h PRO 62 Ca -0.41 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1bks h PRO 62 Cb 1.29 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1bks h PRO 62 CO 0.50 0.17 0.10 1.15 -0.23 0.00 0.00 178.00 179.69 1bks h THR 63 N 0.27 1.16 0.06 1.56 2.02 -1.99 -0.19 112.91 115.80 1bks h THR 63 Ca 0.44 -0.49 -0.24 0.00 0.77 0.00 0.00 66.41 66.89 1bks h THR 63 Cb 1.30 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1bks h THR 63 CO -0.12 0.16 -1.07 0.40 0.37 0.00 0.00 175.52 175.26 1bks h ILE 64 N 0.24 1.51 -0.86 3.11 1.08 -1.68 -3.00 117.51 117.92 1bks h ILE 64 Ca 0.08 -2.90 0.04 0.00 -0.39 0.00 0.00 64.86 61.69 1bks h ILE 64 Cb 0.16 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 1bks h ILE 64 CO -0.01 0.85 0.56 1.56 -0.69 0.00 0.00 178.15 180.42 1bks h GLN 65 N 0.10 1.01 0.00 2.37 4.20 -0.17 -1.62 115.11 121.01 1bks h GLN 65 Ca -0.09 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 1bks h GLN 65 Cb 1.77 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.29 1bks h GLN 65 CO 0.17 0.67 -0.75 -0.91 -0.67 0.00 0.00 178.83 177.34 1bks h ASN 66 N 1.04 0.00 -0.31 1.46 4.21 -1.04 -3.13 115.58 117.81 1bks h ASN 66 Ca 0.35 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.83 1bks h ASN 66 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1bks h ASN 66 CO -0.11 0.75 0.08 0.00 -1.29 0.00 0.00 177.43 176.85 1bks h ALA 67 N 1.25 0.40 -0.57 -0.83 0.00 -1.17 -2.51 119.26 115.84 1bks h ALA 67 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bks h ALA 67 Cb 1.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1bks h ALA 67 CO 0.10 0.07 0.37 -0.91 0.00 0.00 0.00 179.25 178.88 1bks h ASN 68 N 0.33 0.66 -0.91 0.00 -0.26 -1.46 -1.78 115.58 112.17 1bks h ASN 68 Ca 0.10 -0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1bks h ASN 68 Cb 0.29 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1bks h ASN 68 CO 0.00 0.48 0.60 -0.07 -1.06 0.00 0.00 177.43 177.39 1bks h LEU 69 N 0.77 1.03 -0.35 1.61 3.38 -1.47 0.14 115.31 120.42 1bks h LEU 69 Ca 0.21 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1bks h LEU 69 Cb -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1bks h LEU 69 CO -0.04 0.73 -0.00 0.03 0.09 0.00 0.00 178.44 179.24 1bks h ARG 70 N 1.20 0.62 0.43 1.13 3.08 -0.98 -0.97 114.38 118.89 1bks h ARG 70 Ca 0.35 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1bks h ARG 70 Cb -0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1bks h ARG 70 CO -0.09 0.73 -0.20 0.00 -1.07 0.00 0.00 179.97 179.34 1bks h ALA 71 N 0.86 -0.57 -0.49 0.04 0.00 -0.78 -0.17 119.26 118.15 1bks h ALA 71 Ca 0.10 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1bks h ALA 71 Cb 0.46 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 1bks h ALA 71 CO 0.02 -0.76 -0.19 0.74 0.00 0.00 0.00 179.25 179.06 1bks h PHE 72 N -0.69 -0.46 -0.02 0.00 0.04 -0.71 0.71 116.94 115.82 1bks h PHE 72 Ca -0.06 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bks h PHE 72 Cb 0.50 0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 1bks h PHE 72 CO -0.02 -0.28 0.01 0.00 -0.60 0.00 0.00 178.31 177.43 1bks h ALA 73 N 1.31 1.79 0.00 2.45 0.00 -1.01 0.15 119.26 123.95 1bks h ALA 73 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bks h ALA 73 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bks h ALA 73 CO -0.55 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1bks h ALA 74 N 1.99 1.00 0.00 0.00 0.00 0.23 -3.47 119.26 119.00 1bks h ALA 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bks h ALA 74 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bks h ALA 74 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1bks n GLY 75 N 0.93 0.91 3.77 0.00 0.00 0.52 -4.92 105.19 106.40 1bks n GLY 75 Ca 0.04 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1bks n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bks s VAL 76 N -2.00 2.96 0.04 1.61 1.01 -0.96 -5.01 120.40 118.05 1bks s VAL 76 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1bks s VAL 76 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1bks s VAL 76 CO 0.00 0.10 -0.02 0.42 0.00 0.00 0.00 175.10 175.60 1bks s THR 77 N -1.34 0.17 0.24 3.92 -4.23 -1.26 -4.64 115.64 108.50 1bks s THR 77 Ca 0.56 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 1bks s THR 77 Cb -0.34 -0.96 0.28 0.00 1.34 0.00 0.00 72.50 72.83 1bks s THR 77 CO 0.43 -0.77 1.62 -0.65 -0.54 0.00 0.00 174.62 174.71 1bks h PRO 78 N 3.80 0.06 -0.87 3.99 0.11 -1.96 0.29 132.00 137.42 1bks h PRO 78 Ca -0.33 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.90 1bks h PRO 78 Cb 1.17 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1bks h PRO 78 CO 0.55 0.04 0.48 0.00 -0.21 0.00 0.00 178.00 178.86 1bks h ALA 79 N 1.72 1.30 -0.02 -0.75 0.00 -2.00 0.15 119.26 119.66 1bks h ALA 79 Ca 0.39 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.23 1bks h ALA 79 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1bks h ALA 79 CO -0.70 0.02 -0.59 1.96 0.00 0.00 0.00 179.25 179.93 1bks h GLN 80 N 0.73 0.06 -0.30 0.00 4.20 -0.92 -3.01 115.11 115.88 1bks h GLN 80 Ca 0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1bks h GLN 80 Cb 0.55 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1bks h GLN 80 CO -0.31 0.63 0.15 0.00 -0.67 0.00 0.00 178.83 178.63 1bks h PHE 82 N 0.35 0.00 -0.11 0.00 0.04 -1.22 0.07 116.94 116.07 1bks h PHE 82 Ca 0.10 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1bks h PHE 82 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1bks h PHE 82 CO -0.02 0.19 -0.25 0.93 -0.60 0.00 0.00 178.31 178.56 1bks h GLU 83 N 0.00 0.36 -0.67 1.51 5.08 -1.33 -2.49 114.58 117.05 1bks h GLU 83 Ca -0.00 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1bks h GLU 83 Cb 0.36 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1bks h GLU 83 CO 0.03 0.85 0.40 0.52 -1.00 0.00 0.00 179.01 179.80 1bks h MET 84 N -0.07 0.74 -0.71 2.33 2.86 -0.83 -2.59 114.93 116.66 1bks h MET 84 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1bks h MET 84 Cb 0.84 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1bks h MET 84 CO 0.05 0.49 0.35 -0.07 1.06 0.00 0.00 176.91 178.79 1bks h LEU 85 N 0.76 0.90 -0.75 1.22 3.38 -0.92 0.77 115.31 120.66 1bks h LEU 85 Ca 0.28 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1bks h LEU 85 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1bks h LEU 85 CO -0.14 0.75 -0.24 0.00 0.09 0.00 0.00 178.44 178.91 1bks h ALA 86 N 1.39 0.93 -0.21 1.53 0.00 -1.07 -2.35 119.26 119.47 1bks h ALA 86 Ca 0.25 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1bks h ALA 86 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bks h ALA 86 CO -0.03 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 1bks h LEU 87 N 0.60 0.39 -0.35 0.00 6.46 -1.11 -0.11 115.31 121.19 1bks h LEU 87 Ca 0.08 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1bks h LEU 87 Cb 0.72 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1bks h LEU 87 CO 0.06 0.64 0.19 0.40 -0.62 0.00 0.00 178.44 179.11 1bks h ILE 88 N 0.13 1.14 -0.52 4.05 2.04 -0.79 -2.80 117.51 120.75 1bks h ILE 88 Ca 0.06 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1bks h ILE 88 Cb 0.46 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1bks h ILE 88 CO 0.02 0.14 0.24 -0.09 0.00 0.00 0.00 178.15 178.45 1bks h ARG 89 N 0.44 0.76 -0.95 2.37 9.65 -1.38 -0.78 114.38 124.48 1bks h ARG 89 Ca 0.12 -0.12 0.17 0.00 -1.10 0.00 0.00 59.98 59.05 1bks h ARG 89 Cb 0.05 -0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 28.40 1bks h ARG 89 CO -0.02 0.64 0.55 1.49 2.80 0.00 0.00 179.97 185.43 1bks h GLU 90 N 0.70 0.72 0.00 0.20 4.81 -0.77 -1.89 114.58 118.34 1bks h GLU 90 Ca 0.18 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1bks h GLU 90 Cb 0.14 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1bks h GLU 90 CO -0.02 0.48 -1.29 0.87 -0.73 0.00 0.00 179.01 178.32 1bks h LYS 91 N 0.74 0.00 -2.82 1.92 1.57 -1.29 -3.42 116.57 113.28 1bks h LYS 91 Ca 0.53 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.70 1bks h LYS 91 Cb 0.76 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.67 1bks h LYS 91 CO -0.36 0.23 -0.76 -1.01 -0.57 0.00 0.00 179.45 176.98 1bks s HIS 92 N -3.02 2.18 0.39 -1.35 3.76 -0.32 -5.00 115.29 111.93 1bks s HIS 92 Ca -0.02 -2.67 0.16 0.00 -0.15 0.00 0.00 55.06 52.38 1bks s HIS 92 Cb 0.09 -1.83 0.93 0.00 1.11 0.00 0.00 32.58 32.88 1bks s HIS 92 CO 0.80 -0.72 1.91 -1.00 -0.85 0.00 0.00 174.74 174.88 1bks h PRO 93 N 5.97 0.00 0.00 8.40 0.13 -1.78 -3.32 132.00 141.39 1bks h PRO 93 Ca 0.13 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.95 1bks h PRO 93 Cb 0.87 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 1bks h PRO 93 CO 0.52 0.27 -2.13 0.25 -0.23 0.00 0.00 178.00 176.68 1bks n THR 94 N -4.03 1.34 -1.76 1.56 -2.24 -1.26 -4.96 114.28 102.91 1bks n THR 94 Ca -0.02 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 1bks n THR 94 Cb 0.34 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1bks n THR 94 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1bks s ILE 95 N -2.62 2.66 0.27 2.28 2.07 -1.25 -4.92 121.20 119.69 1bks s ILE 95 Ca -0.08 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1bks s ILE 95 Cb 0.07 -3.10 -0.10 0.00 0.13 0.00 0.00 42.46 39.46 1bks s ILE 95 CO 0.83 -0.00 1.43 -2.84 -1.91 0.00 0.00 174.94 172.45 1bks s PRO 96 N 2.74 4.26 -0.11 3.50 0.02 -1.26 -4.95 135.00 139.20 1bks s PRO 96 Ca 0.79 2.32 0.01 0.00 0.02 0.00 0.00 61.00 64.14 1bks s PRO 96 Cb -0.44 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.01 1bks s PRO 96 CO 0.35 -0.40 -0.12 0.42 -0.33 0.00 0.00 177.00 176.92 1bks s ILE 97 N -0.26 1.32 0.10 2.83 1.01 -1.26 -2.12 121.20 122.82 1bks s ILE 97 Ca 0.57 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1bks s ILE 97 Cb -0.42 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1bks s ILE 97 CO 0.46 0.41 -0.16 -0.83 0.00 0.00 0.00 174.94 174.82 1bks s GLY 98 N 1.24 1.69 0.00 6.18 0.00 0.15 -0.43 107.32 116.15 1bks s GLY 98 Ca -0.02 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 43.47 1bks s GLY 98 CO -0.04 -1.25 -0.20 1.08 0.00 0.00 0.00 173.10 172.68 1bks s LEU 99 N -2.01 2.46 -0.34 0.66 1.43 -0.32 -0.61 118.68 119.95 1bks s LEU 99 Ca 0.18 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1bks s LEU 99 Cb -0.11 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.69 1bks s LEU 99 CO 0.10 0.29 0.11 -0.22 0.23 0.00 0.00 176.35 176.86 1bks s LEU 100 N -1.04 4.33 0.38 1.79 0.20 0.13 -0.16 118.68 124.32 1bks s LEU 100 Ca 0.12 -1.12 0.07 0.00 0.69 0.00 0.00 54.13 53.90 1bks s LEU 100 Cb -0.10 -1.88 -0.07 0.00 -0.43 0.00 0.00 46.19 43.70 1bks s LEU 100 CO 0.02 -0.33 -0.02 -0.04 -0.29 0.00 0.00 176.35 175.70 1bks s MET 101 N 1.42 1.87 -0.08 1.98 -1.94 0.85 -3.33 119.30 120.06 1bks s MET 101 Ca -0.01 -2.03 0.01 0.00 -1.71 0.00 0.00 55.69 51.95 1bks s MET 101 Cb -0.19 -1.57 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 1bks s MET 101 CO 0.03 -0.00 -0.10 0.71 -0.01 0.00 0.00 175.02 175.65 1bks s TYR 102 N -2.75 2.86 0.48 -0.03 2.02 -1.26 -1.04 117.35 117.63 1bks s TYR 102 Ca 0.34 -0.14 0.32 0.00 -0.37 0.00 0.00 57.07 57.22 1bks s TYR 102 Cb 0.07 -1.73 1.42 0.00 -0.40 0.00 0.00 41.96 41.33 1bks s TYR 102 CO 0.17 0.19 1.74 0.00 -1.57 0.00 0.00 175.55 176.08 1bks h ALA 103 N 5.59 2.89 -0.20 3.71 0.00 -1.91 -2.04 119.26 127.30 1bks h ALA 103 Ca -0.44 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1bks h ALA 103 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bks h ALA 103 CO 0.53 -1.32 -0.20 -0.97 0.00 0.00 0.00 179.25 177.29 1bks h ASN 104 N 0.13 0.51 -0.02 0.00 -1.24 -1.98 -0.60 115.58 112.38 1bks h ASN 104 Ca 0.66 -0.48 0.01 0.00 0.71 0.00 0.00 56.30 57.20 1bks h ASN 104 Cb 2.28 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 41.18 1bks h ASN 104 CO -0.16 0.89 0.02 -0.07 -1.29 0.00 0.00 177.43 176.81 1bks h LEU 105 N 0.15 0.00 0.16 0.34 3.38 -1.80 0.39 115.31 117.94 1bks h LEU 105 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.66 1bks h LEU 105 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1bks h LEU 105 CO 0.05 0.00 -1.72 0.58 0.09 0.00 0.00 178.44 177.44 1bks h VAL 106 N 0.00 0.89 -0.03 1.22 2.07 -1.51 -3.37 116.25 115.52 1bks h VAL 106 Ca 0.01 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 64.90 1bks h VAL 106 Cb 0.05 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1bks h VAL 106 CO -0.00 0.83 -0.78 0.15 0.02 0.00 0.00 177.57 177.79 1bks h PHE 107 N -0.00 0.38 -0.18 1.57 3.57 -0.51 -3.31 116.94 118.46 1bks h PHE 107 Ca -0.35 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 60.98 1bks h PHE 107 Cb 2.00 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.67 1bks h PHE 107 CO 0.10 0.94 -0.11 -1.71 -2.23 0.00 0.00 178.31 175.31 1bks n ASN 108 N -3.76 -0.20 -2.00 0.41 5.15 0.13 -1.20 115.26 113.79 1bks n ASN 108 Ca -0.04 0.78 -0.17 0.00 -0.60 0.00 0.00 54.58 54.55 1bks n ASN 108 Cb 0.74 -0.27 0.21 0.00 -0.53 0.00 0.00 39.78 39.93 1bks n ASN 108 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bks n ASN 109 N -3.26 3.76 0.00 1.20 3.02 -1.26 -5.00 115.26 113.71 1bks n ASN 109 Ca 0.00 -3.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1bks n ASN 109 Cb 0.05 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 1bks n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bks n GLY 110 N -0.95 -0.20 0.37 7.41 0.00 -0.34 -4.60 105.19 106.87 1bks n GLY 110 Ca 0.52 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1bks n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bks h ILE 111 N 0.00 0.00 -0.84 -0.61 2.04 -1.74 -2.75 117.51 113.60 1bks h ILE 111 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 1bks h ILE 111 Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 1bks h ILE 111 CO 0.00 0.00 0.14 0.44 0.00 0.00 0.00 178.15 178.73 1bks h ASP 112 N -0.92 -0.15 -0.19 1.72 3.32 -1.91 0.42 116.42 118.71 1bks h ASP 112 Ca -0.09 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1bks h ASP 112 Cb 0.72 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1bks h ASP 112 CO 0.14 -0.17 0.12 0.00 -1.72 0.00 0.00 179.24 177.60 1bks h ALA 113 N 1.77 1.82 0.18 3.45 0.00 -1.80 0.14 119.26 124.81 1bks h ALA 113 Ca 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1bks h ALA 113 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bks h ALA 113 CO -0.67 0.16 -0.09 0.35 0.00 0.00 0.00 179.25 179.00 1bks h PHE 114 N 0.28 -0.22 -0.09 0.00 3.57 0.12 -2.58 116.94 118.02 1bks h PHE 114 Ca 0.07 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1bks h PHE 114 Cb 0.00 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1bks h PHE 114 CO 0.00 0.12 -0.34 1.88 -2.23 0.00 0.00 178.31 177.74 1bks h TYR 115 N -0.59 0.21 -0.17 0.41 0.05 -1.03 -2.03 116.97 113.82 1bks h TYR 115 Ca -0.02 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.75 1bks h TYR 115 Cb 0.44 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1bks h TYR 115 CO 0.03 0.50 -0.05 0.00 -1.05 0.00 0.00 178.16 177.59 1bks h ALA 116 N 1.50 0.10 0.00 3.88 0.00 -0.71 -0.51 119.26 123.52 1bks h ALA 116 Ca 0.02 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1bks h ALA 116 Cb 0.68 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bks h ALA 116 CO 0.05 -0.49 -0.30 -0.09 0.00 0.00 0.00 179.25 178.42 1bks h ARG 117 N -0.02 0.00 0.35 0.00 2.43 -1.16 -1.44 114.38 114.54 1bks h ARG 117 Ca 0.09 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1bks h ARG 117 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1bks h ARG 117 CO -0.19 0.30 -0.17 0.00 -1.51 0.00 0.00 179.97 178.40 1bks h GLU 119 N -0.72 0.89 -0.43 0.00 4.81 -0.95 0.43 114.58 118.62 1bks h GLU 119 Ca -0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1bks h GLU 119 Cb 0.49 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1bks h GLU 119 CO 0.08 0.59 0.10 0.37 -0.73 0.00 0.00 179.01 179.42 1bks h GLN 120 N 0.92 0.69 0.00 1.92 4.15 -1.13 -2.85 115.11 118.81 1bks h GLN 120 Ca 0.49 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1bks h GLN 120 Cb 0.55 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1bks h GLN 120 CO -0.26 0.71 -0.24 1.33 -1.93 0.00 0.00 178.83 178.44 1bks n VAL 121 N -4.52 0.16 -1.37 2.39 0.24 -0.45 -4.95 118.33 109.82 1bks n VAL 121 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1bks n VAL 121 Cb 0.22 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1bks n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bks n GLY 122 N 1.44 0.70 3.83 7.63 0.00 0.05 -4.51 105.19 114.33 1bks n GLY 122 Ca 0.06 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1bks n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bks s VAL 123 N -2.41 5.13 -0.14 1.61 1.01 -0.68 -4.80 120.40 120.12 1bks s VAL 123 Ca 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 1bks s VAL 123 Cb 0.00 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.47 1bks s VAL 123 CO 0.00 0.56 0.31 0.47 0.00 0.00 0.00 175.10 176.44 1bks n ASP 124 N 2.05 2.09 -4.09 3.32 8.00 0.43 -4.47 116.55 123.88 1bks n ASP 124 Ca -0.14 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 1bks n ASP 124 Cb 0.53 -0.86 -0.09 0.00 -0.02 0.00 0.00 41.12 40.68 1bks n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bks s SER 125 N -7.00 0.22 -0.09 -2.24 1.04 -1.01 -0.70 113.70 103.93 1bks s SER 125 Ca -0.24 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 1bks s SER 125 Cb 0.07 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.57 1bks s SER 125 CO 0.74 -0.78 0.20 -0.69 0.98 0.00 0.00 173.24 173.69 1bks s VAL 126 N -4.02 -0.04 -0.27 5.02 1.01 -0.47 -1.18 120.40 120.44 1bks s VAL 126 Ca 0.22 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1bks s VAL 126 Cb 0.06 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1bks s VAL 126 CO 0.01 0.07 0.00 -0.22 0.00 0.00 0.00 175.10 174.96 1bks s LEU 127 N 1.21 3.54 -0.60 3.92 0.20 0.78 -1.72 118.68 126.01 1bks s LEU 127 Ca -0.09 -0.87 -0.16 0.00 0.69 0.00 0.00 54.13 53.70 1bks s LEU 127 Cb -0.11 -1.75 0.14 0.00 -0.43 0.00 0.00 46.19 44.04 1bks s LEU 127 CO -0.07 -0.17 0.58 -0.69 -0.29 0.00 0.00 176.35 175.70 1bks s VAL 128 N 1.38 5.23 0.33 1.68 1.01 -1.26 -0.11 120.40 128.66 1bks s VAL 128 Ca 0.00 -1.61 0.11 0.00 0.00 0.00 0.00 61.98 60.49 1bks s VAL 128 Cb -0.17 -4.39 0.32 0.00 0.00 0.00 0.00 36.38 32.14 1bks s VAL 128 CO -0.01 -0.94 1.69 0.00 0.00 0.00 0.00 175.10 175.84 1bks h ALA 129 N 8.73 1.84 -0.81 5.51 0.00 -1.47 -2.44 119.26 130.62 1bks h ALA 129 Ca -0.22 0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1bks h ALA 129 Cb 1.09 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1bks h ALA 129 CO 1.00 -0.43 0.39 -0.40 0.00 0.00 0.00 179.25 179.81 1bks n ASP 130 N -4.99 4.23 -3.98 0.00 5.75 -1.26 -4.80 116.55 111.49 1bks n ASP 130 Ca 0.29 -3.41 -0.31 0.00 -0.01 0.00 0.00 54.79 51.35 1bks n ASP 130 Cb 0.86 -0.77 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 1bks n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bks s VAL 131 N -3.13 1.91 0.95 2.12 1.01 -0.92 -4.91 120.40 117.42 1bks s VAL 131 Ca 0.55 -1.76 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1bks s VAL 131 Cb 0.45 -2.24 0.16 0.00 0.00 0.00 0.00 36.38 34.75 1bks s VAL 131 CO 0.11 -0.32 1.10 -2.16 0.00 0.00 0.00 175.10 173.84 1bks s PRO 132 N 1.16 0.83 0.43 2.72 0.04 -1.26 -4.83 135.00 134.09 1bks s PRO 132 Ca 0.01 0.51 0.09 0.00 0.04 0.00 0.00 61.00 61.64 1bks s PRO 132 Cb -0.19 -1.79 0.92 0.00 0.04 0.00 0.00 34.50 33.49 1bks s PRO 132 CO -0.08 -2.45 2.07 -0.39 0.04 0.00 0.00 177.00 176.18 1bks h VAL 133 N -1.69 1.09 -0.20 -0.36 -1.51 -1.99 -2.23 116.25 109.36 1bks h VAL 133 Ca -0.52 -0.18 0.06 0.00 -1.23 0.00 0.00 66.70 64.83 1bks h VAL 133 Cb 1.32 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1bks h VAL 133 CO 0.58 0.09 0.18 -0.33 -1.23 0.00 0.00 177.57 176.86 1bks h GLU 134 N 0.45 0.00 -0.03 5.19 3.07 -2.03 -2.67 114.58 118.57 1bks h GLU 134 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1bks h GLU 134 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1bks h GLU 134 CO -0.03 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.97 1bks n GLU 135 N -4.07 2.13 0.04 2.33 -0.58 -0.86 -4.80 120.64 114.84 1bks n GLU 135 Ca 0.02 -2.14 0.13 0.00 -0.42 0.00 0.00 57.16 54.75 1bks n GLU 135 Cb 0.31 -1.31 0.39 0.00 -0.57 0.00 0.00 31.44 30.26 1bks n GLU 135 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1bks n SER 136 N -0.92 0.48 -0.09 1.62 3.41 -1.01 -4.60 113.62 112.51 1bks n SER 136 Ca 0.10 0.29 -0.02 0.00 -0.26 0.00 0.00 58.87 58.97 1bks n SER 136 Cb 0.49 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1bks n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bks n ALA 137 N -1.65 -0.13 -0.27 7.33 0.00 -1.26 -0.48 120.51 124.04 1bks n ALA 137 Ca 0.05 0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1bks n ALA 137 Cb 0.39 0.28 0.33 0.00 0.00 0.00 0.00 19.45 20.45 1bks n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bks h PRO 138 N 0.00 0.78 -0.13 0.00 0.13 -2.00 -1.71 132.00 129.07 1bks h PRO 138 Ca 0.03 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 1bks h PRO 138 Cb 0.09 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1bks h PRO 138 CO -0.20 0.52 -0.44 0.74 -0.23 0.00 0.00 178.00 178.39 1bks h PHE 139 N 0.81 0.69 0.68 1.56 -1.00 -1.46 -2.88 116.94 115.34 1bks h PHE 139 Ca 0.41 -0.28 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1bks h PHE 139 Cb 0.49 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1bks h PHE 139 CO -0.00 1.05 -0.47 0.00 -1.61 0.00 0.00 178.31 177.28 1bks h ARG 140 N 0.14 -1.05 -0.64 1.51 3.08 -0.38 -0.80 114.38 116.24 1bks h ARG 140 Ca -0.02 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1bks h ARG 140 Cb 1.07 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 1bks h ARG 140 CO 0.09 -0.70 0.34 1.96 -1.07 0.00 0.00 179.97 180.59 1bks h GLN 141 N -1.09 0.61 -0.62 0.04 4.20 -1.44 0.21 115.11 117.02 1bks h GLN 141 Ca -0.09 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1bks h GLN 141 Cb 0.90 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1bks h GLN 141 CO 0.06 0.40 0.05 0.00 -0.67 0.00 0.00 178.83 178.67 1bks h ALA 142 N 1.35 0.83 -0.05 3.87 0.00 -1.48 -0.85 119.26 122.92 1bks h ALA 142 Ca 0.29 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bks h ALA 142 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bks h ALA 142 CO -0.20 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.71 1bks h ALA 143 N 1.01 0.07 -0.63 0.00 0.00 -0.46 -2.55 119.26 116.69 1bks h ALA 143 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1bks h ALA 143 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1bks h ALA 143 CO 0.02 -0.38 0.26 -0.07 0.00 0.00 0.00 179.25 179.08 1bks h LEU 144 N -0.03 0.84 -1.34 0.00 3.38 -0.81 1.20 115.31 118.56 1bks h LEU 144 Ca 0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1bks h LEU 144 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1bks h LEU 144 CO -0.00 0.74 -0.32 0.03 0.09 0.00 0.00 178.44 178.98 1bks h ARG 145 N 0.91 0.00 -0.47 1.13 3.08 -1.02 -2.49 114.38 115.52 1bks h ARG 145 Ca 0.22 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1bks h ARG 145 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1bks h ARG 145 CO -0.02 0.32 0.07 0.72 -1.07 0.00 0.00 179.97 179.99 1bks n HIS 146 N -3.96 1.60 -3.93 3.04 8.25 -0.84 -4.94 115.22 114.43 1bks n HIS 146 Ca -0.02 -1.06 -0.31 0.00 -0.26 0.00 0.00 57.72 56.08 1bks n HIS 146 Cb 0.38 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 31.03 1bks n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bks n ASN 147 N -0.33 -4.73 -4.58 0.41 3.02 -0.70 -4.65 115.26 103.71 1bks n ASN 147 Ca 0.30 -0.79 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 1bks n ASN 147 Cb 1.11 -3.78 -0.11 0.00 -0.61 0.00 0.00 39.78 36.40 1bks n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bks s ILE 148 N -3.29 4.06 -0.22 2.41 -1.09 0.41 -3.46 121.20 120.01 1bks s ILE 148 Ca 0.67 -0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.49 1bks s ILE 148 Cb -0.34 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1bks s ILE 148 CO 0.83 0.54 1.01 0.00 -1.23 0.00 0.00 174.94 176.09 1bks s ALA 149 N -0.19 3.67 -0.43 9.38 0.00 0.13 -3.47 121.76 130.83 1bks s ALA 149 Ca 0.04 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1bks s ALA 149 Cb -0.13 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1bks s ALA 149 CO 0.02 -1.01 0.93 -1.25 0.00 0.00 0.00 175.76 174.45 1bks s PRO 150 N 3.08 3.62 0.11 0.00 0.05 -1.26 -1.37 135.00 139.23 1bks s PRO 150 Ca 0.43 0.28 -0.21 0.00 0.05 0.00 0.00 61.00 61.55 1bks s PRO 150 Cb -0.15 -3.89 -0.07 0.00 0.05 0.00 0.00 34.50 30.44 1bks s PRO 150 CO 0.07 -1.14 0.64 0.42 0.05 0.00 0.00 177.00 177.03 1bks s ILE 151 N 3.68 4.62 -0.01 0.56 -1.09 -0.70 -2.96 121.20 125.29 1bks s ILE 151 Ca 0.37 1.37 0.04 0.00 -2.23 0.00 0.00 60.65 60.21 1bks s ILE 151 Cb -0.11 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1bks s ILE 151 CO 0.24 0.53 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.98 1bks s PHE 152 N -1.14 1.30 0.08 3.97 0.08 -1.26 -4.43 117.98 116.59 1bks s PHE 152 Ca 0.32 -0.25 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 1bks s PHE 152 Cb -0.21 -0.84 -0.06 0.00 -0.57 0.00 0.00 43.02 41.34 1bks s PHE 152 CO 0.21 -0.03 0.75 0.42 -0.10 0.00 0.00 175.22 176.48 1bks s ILE 153 N -0.32 4.62 -0.37 0.64 1.01 -1.26 -1.70 121.20 123.82 1bks s ILE 153 Ca 0.05 1.62 -0.04 0.00 0.00 0.00 0.00 60.65 62.28 1bks s ILE 153 Cb -0.06 -4.10 0.08 0.00 0.01 0.00 0.00 42.46 38.39 1bks s ILE 153 CO -0.00 0.43 0.14 0.00 0.00 0.00 0.00 174.94 175.50 1bks s PRO 155 N 1.25 2.95 0.27 0.00 0.04 -1.26 -1.09 135.00 137.15 1bks s PRO 155 Ca 0.02 0.41 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 1bks s PRO 155 Cb -0.21 -2.07 0.36 0.00 0.04 0.00 0.00 34.50 32.62 1bks s PRO 155 CO -0.01 -0.93 1.92 -1.00 0.04 0.00 0.00 177.00 177.01 1bks h PRO 156 N -0.54 1.21 -0.90 0.56 0.13 -2.00 -1.95 132.00 128.51 1bks h PRO 156 Ca -0.45 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1bks h PRO 156 Cb 1.25 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1bks h PRO 156 CO 0.63 0.80 0.04 0.27 -0.23 0.00 0.00 178.00 179.50 1bks n ASN 157 N -4.44 2.55 -4.68 1.44 6.94 -1.26 -4.52 115.26 111.30 1bks n ASN 157 Ca 0.13 -2.31 -0.42 0.00 -0.02 0.00 0.00 54.58 51.96 1bks n ASN 157 Cb 0.09 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 36.92 1bks n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bks s ALA 158 N -1.42 3.61 0.63 -2.53 0.00 -0.74 -5.00 121.76 116.32 1bks s ALA 158 Ca 0.16 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1bks s ALA 158 Cb 0.13 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1bks s ALA 158 CO 0.04 -1.10 0.34 -0.40 0.00 0.00 0.00 175.76 174.65 1bks n ASP 159 N 6.08 0.32 0.04 0.00 5.75 -1.26 -4.93 116.55 122.55 1bks n ASP 159 Ca 0.15 -1.30 -0.20 0.00 -0.01 0.00 0.00 54.79 53.42 1bks n ASP 159 Cb 0.43 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 40.18 1bks n ASP 159 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bks h ASP 160 N -0.29 0.85 -1.00 -1.12 3.58 -1.99 -2.57 116.42 113.88 1bks h ASP 160 Ca -0.11 -0.75 0.04 0.00 0.42 0.00 0.00 57.03 56.63 1bks h ASP 160 Cb 0.38 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 1bks h ASP 160 CO 0.11 1.49 0.66 0.44 -2.88 0.00 0.00 179.24 179.05 1bks h ASP 161 N 0.30 1.09 -0.50 2.28 5.19 -2.00 -1.58 116.42 121.19 1bks h ASP 161 Ca -0.12 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.20 1bks h ASP 161 Cb 1.65 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1bks h ASP 161 CO 0.19 0.74 0.01 0.25 -3.12 0.00 0.00 179.24 177.31 1bks h LEU 162 N 1.26 0.86 -0.65 1.55 5.85 -1.95 -2.59 115.31 119.64 1bks h LEU 162 Ca 0.40 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1bks h LEU 162 Cb 0.02 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1bks h LEU 162 CO -0.13 0.95 0.38 -0.07 -0.34 0.00 0.00 178.44 179.23 1bks h LEU 163 N 0.75 0.59 -0.76 2.25 3.38 -0.89 0.17 115.31 120.79 1bks h LEU 163 Ca 0.14 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1bks h LEU 163 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1bks h LEU 163 CO 0.02 0.40 -0.07 0.03 0.09 0.00 0.00 178.44 178.92 1bks h ARG 164 N 0.73 0.87 -0.13 1.13 3.08 -1.25 -2.16 114.38 116.65 1bks h ARG 164 Ca 0.28 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1bks h ARG 164 Cb 0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1bks h ARG 164 CO -0.15 0.91 -0.18 1.96 -1.07 0.00 0.00 179.97 181.44 1bks h GLN 165 N 0.79 0.35 -0.22 0.04 4.20 -1.03 -2.48 115.11 116.75 1bks h GLN 165 Ca 0.14 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1bks h GLN 165 Cb 0.57 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1bks h GLN 165 CO 0.03 0.78 0.00 0.28 -0.67 0.00 0.00 178.83 179.25 1bks h VAL 166 N -0.06 1.14 -0.17 -0.54 2.07 -0.96 -1.13 116.25 116.60 1bks h VAL 166 Ca 0.01 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1bks h VAL 166 Cb 0.74 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1bks h VAL 166 CO 0.04 0.18 -0.22 0.00 0.02 0.00 0.00 177.57 177.59 1bks h ALA 167 N 1.69 0.26 0.02 1.67 0.00 -1.35 -2.71 119.26 118.84 1bks h ALA 167 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bks h ALA 167 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bks h ALA 167 CO 0.00 0.21 -0.01 0.77 0.00 0.00 0.00 179.25 180.23 1bks h SER 168 N 0.10 -0.02 0.47 0.00 0.02 -1.19 -3.38 113.55 109.55 1bks h SER 168 Ca 0.02 -0.48 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 1bks h SER 168 Cb 0.78 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1bks h SER 168 CO 0.05 0.48 -0.86 1.88 -1.14 0.00 0.00 176.83 177.24 1bks h TYR 169 N -0.53 0.40 -4.26 3.45 0.05 -1.34 -3.47 116.97 111.26 1bks h TYR 169 Ca -0.00 -0.21 -0.48 0.00 0.05 0.00 0.00 58.73 58.09 1bks h TYR 169 Cb 0.51 -0.05 0.08 0.00 1.01 0.00 0.00 36.73 38.28 1bks h TYR 169 CO 0.10 1.01 0.34 0.20 -1.05 0.00 0.00 178.16 178.76 1bks s GLY 170 N -4.45 1.62 0.21 3.88 0.00 -1.02 -4.82 107.32 102.74 1bks s GLY 170 Ca -0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1bks s GLY 170 CO 0.84 -0.21 0.53 0.50 0.00 0.00 0.00 173.10 174.76 1bks s ARG 171 N -5.35 1.45 0.00 2.90 1.81 -1.16 -4.73 118.95 113.87 1bks s ARG 171 Ca 0.59 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.64 1bks s ARG 171 Cb -0.11 0.52 0.00 0.00 -0.45 0.00 0.00 34.95 34.91 1bks s ARG 171 CO 0.48 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.90 1bks n GLY 172 N -0.36 2.23 3.68 -3.53 0.00 -1.26 -4.45 105.19 101.50 1bks n GLY 172 Ca -0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1bks n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bks s TYR 173 N 0.00 -0.24 -0.19 1.61 -0.85 -1.26 -4.41 117.35 112.01 1bks s TYR 173 Ca 0.00 -0.04 -0.07 0.00 -0.52 0.00 0.00 57.07 56.44 1bks s TYR 173 Cb 0.00 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1bks s TYR 173 CO 0.00 -0.84 0.04 0.99 -1.52 0.00 0.00 175.55 174.22 1bks s THR 174 N -3.43 4.49 -0.50 -3.49 2.01 0.89 -4.46 115.64 111.15 1bks s THR 174 Ca 0.09 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 1bks s THR 174 Cb -0.02 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.50 1bks s THR 174 CO -0.01 0.44 0.87 -0.47 -0.69 0.00 0.00 174.62 174.76 1bks s TYR 175 N 0.60 2.89 -0.31 4.92 6.14 -0.69 -0.84 117.35 130.07 1bks s TYR 175 Ca 0.02 0.06 -0.18 0.00 0.64 0.00 0.00 57.07 57.61 1bks s TYR 175 Cb -0.13 -3.89 -0.01 0.00 0.42 0.00 0.00 41.96 38.34 1bks s TYR 175 CO 0.02 -1.18 0.51 -1.17 0.64 0.00 0.00 175.55 174.37 1bks s LEU 176 N 3.61 4.21 0.00 6.97 2.96 0.17 0.99 118.68 137.59 1bks s LEU 176 Ca 0.30 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1bks s LEU 176 Cb -0.13 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.95 1bks s LEU 176 CO 0.21 -0.40 0.00 -0.11 -1.32 0.00 0.00 176.35 174.73 1bks n LEU 177 N 5.66 0.00 0.00 -0.68 7.94 -0.25 0.10 117.00 129.77 1bks n LEU 177 Ca -0.05 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.78 1bks n LEU 177 Cb 0.49 -0.22 0.04 0.00 0.53 0.00 0.00 43.42 44.27 1bks n LEU 177 CO 0.43 -0.41 0.20 0.00 -1.11 0.00 0.00 177.39 176.49 1bks n ALA 190 N -2.29 -0.20 0.00 1.96 0.00 -1.26 -3.85 120.51 114.86 1bks n ALA 190 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1bks n ALA 190 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1bks n ALA 190 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bks n LEU 191 N 0.00 0.00 -4.51 0.00 0.00 -1.26 -4.87 117.00 106.36 1bks n LEU 191 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 56.01 55.58 1bks n LEU 191 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.52 1bks n LEU 191 CO 0.11 0.00 1.83 -0.81 0.00 0.00 0.00 177.39 178.52 1bks n PRO 192 N 0.00 1.43 -0.37 1.96 -0.04 -1.26 -4.76 135.00 131.96 1bks n PRO 192 Ca 0.00 0.38 0.32 0.00 -0.04 0.00 0.00 63.50 64.16 1bks n PRO 192 Cb 0.00 -2.80 0.65 0.00 -0.04 0.00 0.00 33.50 31.32 1bks n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bks h LEU 193 N 13.68 0.20 -1.51 1.53 3.38 -2.00 0.60 115.31 131.20 1bks h LEU 193 Ca -0.32 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1bks h LEU 193 Cb 1.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1bks h LEU 193 CO 1.00 -0.00 0.04 0.45 0.09 0.00 0.00 178.44 180.01 1bks h HIS 194 N 0.16 0.35 0.00 1.13 3.86 -1.85 -0.96 115.15 117.83 1bks h HIS 194 Ca 0.65 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.72 1bks h HIS 194 Cb 2.16 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 30.50 1bks h HIS 194 CO -0.00 0.34 -0.56 1.25 0.86 0.00 0.00 177.93 179.81 1bks h HIS 195 N 0.35 0.00 0.39 2.45 6.17 -0.14 -2.73 115.15 121.64 1bks h HIS 195 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 1bks h HIS 195 Cb 0.18 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.11 1bks h HIS 195 CO 0.00 0.56 -0.19 1.25 0.71 0.00 0.00 177.93 180.27 1bks h LEU 196 N 0.00 -0.44 -1.15 0.26 5.85 -0.86 0.19 115.31 119.15 1bks h LEU 196 Ca -0.01 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1bks h LEU 196 Cb 1.32 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 1bks h LEU 196 CO 0.07 -0.09 0.60 0.40 -0.34 0.00 0.00 178.44 179.09 1bks h ILE 197 N -0.85 0.90 0.77 4.05 1.08 -1.49 -1.06 117.51 120.91 1bks h ILE 197 Ca -0.05 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1bks h ILE 197 Cb 0.54 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1bks h ILE 197 CO 0.09 0.16 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.01 1bks h GLU 198 N 0.87 -0.99 -0.97 2.37 5.08 -1.32 -1.57 114.58 118.06 1bks h GLU 198 Ca 0.46 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.94 1bks h GLU 198 Cb 0.55 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1bks h GLU 198 CO -0.23 -0.65 0.63 0.87 -1.00 0.00 0.00 179.01 178.63 1bks h LYS 199 N -1.09 1.16 0.07 2.33 1.79 -0.19 -1.10 116.57 119.53 1bks h LYS 199 Ca -0.11 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1bks h LYS 199 Cb 0.80 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1bks h LYS 199 CO 0.17 0.76 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.21 1bks h LEU 200 N 1.19 -0.08 -1.17 2.94 3.38 -1.19 -0.88 115.31 119.51 1bks h LEU 200 Ca 0.40 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1bks h LEU 200 Cb 0.06 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1bks h LEU 200 CO -0.14 0.18 0.59 0.11 0.09 0.00 0.00 178.44 179.27 1bks h LYS 201 N -0.34 0.86 -0.28 1.13 1.57 -1.01 0.75 116.57 119.25 1bks h LYS 201 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1bks h LYS 201 Cb 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1bks h LYS 201 CO 0.02 0.57 -0.15 1.49 -0.57 0.00 0.00 179.45 180.80 1bks h GLU 202 N 0.89 0.49 -0.01 3.15 4.81 -0.92 -2.59 114.58 120.39 1bks h GLU 202 Ca 0.44 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1bks h GLU 202 Cb 0.46 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1bks h GLU 202 CO -0.20 0.63 -0.08 0.66 -0.73 0.00 0.00 179.01 179.29 1bks n TYR 203 N -4.18 0.00 -2.26 0.92 4.01 0.07 -4.93 117.16 110.79 1bks n TYR 203 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1bks n TYR 203 Cb 0.34 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1bks n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bks n HIS 204 N 0.02 -0.57 -1.79 -0.72 8.25 -0.13 -4.77 115.22 115.51 1bks n HIS 204 Ca 0.16 0.03 -0.34 0.00 -0.26 0.00 0.00 57.72 57.32 1bks n HIS 204 Cb 0.37 -2.57 0.05 0.00 1.12 0.00 0.00 29.99 28.97 1bks n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bks s ALA 205 N -2.58 2.41 0.56 -1.41 0.00 -0.37 -4.94 121.76 115.43 1bks s ALA 205 Ca 0.02 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1bks s ALA 205 Cb -0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1bks s ALA 205 CO 0.02 -1.37 1.33 0.00 0.00 0.00 0.00 175.76 175.75 1bks s ALA 206 N -1.96 2.74 -0.00 0.00 0.00 -1.26 -4.75 121.76 116.53 1bks s ALA 206 Ca 0.73 1.29 -0.40 0.00 0.00 0.00 0.00 51.96 53.58 1bks s ALA 206 Cb -0.26 -3.55 -0.19 0.00 0.00 0.00 0.00 23.12 19.11 1bks s ALA 206 CO 0.39 -1.37 1.13 -0.35 0.00 0.00 0.00 175.76 175.55 1bks n PRO 207 N -1.17 0.18 -3.12 0.00 -0.04 -1.26 -3.56 135.00 126.02 1bks n PRO 207 Ca 0.11 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.25 1bks n PRO 207 Cb 0.46 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 1bks n PRO 207 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bks s ALA 208 N 0.16 3.39 -0.16 0.55 0.00 -1.26 -0.07 121.76 124.37 1bks s ALA 208 Ca 0.90 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 1bks s ALA 208 Cb -1.23 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 19.00 1bks s ALA 208 CO 0.56 -0.10 -0.05 -0.51 0.00 0.00 0.00 175.76 175.66 1bks s LEU 209 N 0.82 3.15 -0.32 0.00 1.43 -0.02 -0.10 118.68 123.63 1bks s LEU 209 Ca 0.34 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1bks s LEU 209 Cb -0.17 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1bks s LEU 209 CO 0.15 0.16 1.07 -1.58 0.23 0.00 0.00 176.35 176.38 1bks s GLN 210 N 0.43 4.07 -0.14 1.70 -0.44 -0.11 -0.66 119.66 124.52 1bks s GLN 210 Ca -0.05 1.07 0.16 0.00 -2.50 0.00 0.00 55.36 54.04 1bks s GLN 210 Cb -0.14 -3.73 -0.22 0.00 -1.64 0.00 0.00 33.01 27.27 1bks s GLN 210 CO 0.03 -0.89 0.13 0.41 0.50 0.00 0.00 175.29 175.47 1bks n GLY 211 N 3.86 -0.82 3.71 2.59 0.00 0.28 -0.54 105.19 114.27 1bks n GLY 211 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1bks n GLY 211 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bks s PHE 212 N -2.58 3.22 -0.35 1.61 5.36 -1.19 -4.27 117.98 119.79 1bks s PHE 212 Ca -0.08 1.07 -0.06 0.00 -0.96 0.00 0.00 56.93 56.90 1bks s PHE 212 Cb 0.06 -3.57 0.01 0.00 -0.34 0.00 0.00 43.02 39.19 1bks s PHE 212 CO 0.70 -1.93 0.22 0.41 -1.46 0.00 0.00 175.22 173.16 1bks n GLY 213 N 3.42 -0.39 3.29 13.12 0.00 -1.26 -4.92 105.19 118.45 1bks n GLY 213 Ca 0.11 0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 1bks n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bks s ILE 214 N -3.29 5.14 -0.00 -0.61 -1.09 -1.26 -4.83 121.20 115.25 1bks s ILE 214 Ca 0.08 -2.09 0.00 0.00 -2.23 0.00 0.00 60.65 56.41 1bks s ILE 214 Cb -0.04 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1bks s ILE 214 CO 0.33 -0.93 0.78 -1.54 -1.23 0.00 0.00 174.94 172.35 1bks n SER 215 N 4.49 1.09 -3.73 3.58 3.41 -1.26 -4.54 113.62 116.66 1bks n SER 215 Ca 0.01 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1bks n SER 215 Cb 0.43 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1bks n SER 215 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bks s SER 216 N -0.59 -0.41 0.37 4.04 1.04 -1.26 -5.04 113.70 111.85 1bks s SER 216 Ca 0.01 0.71 0.18 0.00 0.48 0.00 0.00 55.95 57.33 1bks s SER 216 Cb 0.01 0.75 1.15 0.00 0.10 0.00 0.00 66.02 68.03 1bks s SER 216 CO 0.00 -0.22 1.68 -0.65 0.98 0.00 0.00 173.24 175.04 1bks h PRO 217 N 5.10 0.30 -0.90 4.02 0.11 -1.92 0.35 132.00 139.06 1bks h PRO 217 Ca -0.27 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.01 1bks h PRO 217 Cb 1.18 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 1bks h PRO 217 CO 0.27 0.20 0.46 0.93 -0.21 0.00 0.00 178.00 179.66 1bks h GLU 218 N 0.31 0.54 -0.15 1.05 4.39 -1.96 -1.24 114.58 117.52 1bks h GLU 218 Ca 0.72 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 60.21 1bks h GLU 218 Cb 1.79 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 1bks h GLU 218 CO -0.49 0.36 -0.61 1.96 -1.16 0.00 0.00 179.01 179.07 1bks h GLN 219 N 0.56 0.51 0.38 2.33 4.20 -0.71 -2.51 115.11 119.87 1bks h GLN 219 Ca 0.53 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1bks h GLN 219 Cb 0.89 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1bks h GLN 219 CO -0.44 0.97 -0.18 0.28 -0.67 0.00 0.00 178.83 178.79 1bks h VAL 220 N 0.38 0.63 -0.60 -0.54 2.07 -1.12 -1.38 116.25 115.69 1bks h VAL 220 Ca -0.01 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1bks h VAL 220 Cb 1.16 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1bks h VAL 220 CO 0.11 0.03 0.31 0.77 0.02 0.00 0.00 177.57 178.81 1bks h SER 221 N -0.60 0.44 -0.01 0.57 4.64 -1.34 -1.69 113.55 115.55 1bks h SER 221 Ca -0.05 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1bks h SER 221 Cb 0.45 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1bks h SER 221 CO 0.09 0.29 -0.09 0.00 -0.87 0.00 0.00 176.83 176.24 1bks h ALA 222 N 1.33 -0.09 -0.07 5.18 0.00 -1.34 -0.30 119.26 123.98 1bks h ALA 222 Ca 0.27 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1bks h ALA 222 Cb 0.20 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1bks h ALA 222 CO -0.19 -0.58 -0.27 0.00 0.00 0.00 0.00 179.25 178.21 1bks h ALA 223 N 0.84 -0.32 0.12 0.00 0.00 -0.82 0.54 119.26 119.62 1bks h ALA 223 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bks h ALA 223 Cb 0.20 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1bks h ALA 223 CO -0.10 -0.75 -0.48 0.28 0.00 0.00 0.00 179.25 178.19 1bks h VAL 224 N -0.37 0.07 -0.96 0.00 2.07 -1.12 -0.22 116.25 115.71 1bks h VAL 224 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1bks h VAL 224 Cb 0.49 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1bks h VAL 224 CO -0.28 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.95 1bks h ARG 225 N -0.71 0.81 0.00 1.57 3.08 -0.59 0.23 114.38 118.77 1bks h ARG 225 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1bks h ARG 225 Cb 0.73 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1bks h ARG 225 CO -0.27 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.16 1bks h ALA 226 N 1.58 1.00 0.00 0.04 0.00 0.10 -3.45 119.26 118.53 1bks h ALA 226 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1bks h ALA 226 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bks h ALA 226 CO -0.26 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1bks n GLY 227 N -0.41 0.94 3.76 0.00 0.00 0.82 -4.76 105.19 105.54 1bks n GLY 227 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1bks n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bks s ALA 228 N -2.00 2.38 -1.50 4.61 0.00 -0.18 -4.92 121.76 120.15 1bks s ALA 228 Ca 0.00 0.66 0.27 0.00 0.00 0.00 0.00 51.96 52.89 1bks s ALA 228 Cb 0.00 -3.36 0.97 0.00 0.00 0.00 0.00 23.12 20.73 1bks s ALA 228 CO 0.00 -1.41 1.71 0.00 0.00 0.00 0.00 175.76 176.05 1bks n ALA 229 N -2.44 2.94 0.00 0.00 0.00 0.86 -4.20 120.51 117.67 1bks n ALA 229 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1bks n ALA 229 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1bks n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bks n GLY 230 N 1.36 -1.28 2.96 0.00 0.00 -1.25 -1.22 105.19 105.75 1bks n GLY 230 Ca 0.12 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1bks n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bks s ALA 231 N -1.00 -0.11 -0.21 4.61 0.00 0.11 -0.93 121.76 124.23 1bks s ALA 231 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1bks s ALA 231 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1bks s ALA 231 CO 0.00 -0.07 0.22 0.42 0.00 0.00 0.00 175.76 176.33 1bks s ILE 232 N -0.40 5.33 -1.02 0.00 1.01 0.30 -1.40 121.20 125.03 1bks s ILE 232 Ca -0.05 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 1bks s ILE 232 Cb -0.03 -3.56 0.22 0.00 0.01 0.00 0.00 42.46 39.10 1bks s ILE 232 CO 0.00 0.36 1.07 -0.55 0.00 0.00 0.00 174.94 175.82 1bks s SER 233 N 0.76 7.01 0.27 3.58 0.15 0.72 -4.47 113.70 121.73 1bks s SER 233 Ca 0.11 -2.98 -0.02 0.00 0.70 0.00 0.00 55.95 53.76 1bks s SER 233 Cb -0.13 -2.27 0.59 0.00 -1.71 0.00 0.00 66.02 62.50 1bks s SER 233 CO 0.03 -0.57 1.62 1.23 1.20 0.00 0.00 173.24 176.75 1bks h GLY 234 N 8.11 1.08 0.00 9.45 0.00 -1.81 -2.73 103.07 117.17 1bks h GLY 234 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1bks h GLY 234 CO 0.99 -0.37 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 1bks n SER 235 N -5.36 0.00 -0.30 0.19 3.41 -1.26 -4.71 113.62 105.60 1bks n SER 235 Ca 0.18 -0.28 0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1bks n SER 235 Cb 0.60 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.92 1bks n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bks h ALA 236 N 0.00 1.83 -0.24 7.33 0.00 -1.87 -0.96 119.26 125.34 1bks h ALA 236 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1bks h ALA 236 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bks h ALA 236 CO 0.00 -0.11 -0.47 0.82 0.00 0.00 0.00 179.25 179.49 1bks h ILE 237 N 0.69 1.30 -0.01 0.00 1.08 -1.83 -2.99 117.51 115.75 1bks h ILE 237 Ca 0.49 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 63.25 1bks h ILE 237 Cb 0.82 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1bks h ILE 237 CO -0.25 0.53 -0.15 0.58 -0.69 0.00 0.00 178.15 178.18 1bks h VAL 238 N 0.49 1.11 0.11 1.67 2.07 -1.43 -2.71 116.25 117.56 1bks h VAL 238 Ca 0.01 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1bks h VAL 238 Cb 1.08 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1bks h VAL 238 CO 0.11 0.15 -0.05 0.11 0.02 0.00 0.00 177.57 177.90 1bks h LYS 239 N 0.02 -0.15 -0.58 1.57 1.79 -1.13 -2.56 116.57 115.53 1bks h LYS 239 Ca 0.00 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 1bks h LYS 239 Cb 0.27 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1bks h LYS 239 CO 0.02 0.08 0.18 0.82 -1.08 0.00 0.00 179.45 179.47 1bks h ILE 240 N -0.35 0.73 -0.36 1.86 2.04 -1.37 0.33 117.51 120.40 1bks h ILE 240 Ca -0.02 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1bks h ILE 240 Cb 0.29 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1bks h ILE 240 CO 0.03 0.06 0.10 0.40 0.00 0.00 0.00 178.15 178.73 1bks h ILE 241 N 0.34 0.86 0.21 -0.67 2.04 -1.45 -0.67 117.51 118.17 1bks h ILE 241 Ca 0.30 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1bks h ILE 241 Cb 0.39 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1bks h ILE 241 CO -0.33 0.04 -0.10 -0.08 0.00 0.00 0.00 178.15 177.68 1bks h GLU 242 N 0.23 -0.27 -0.96 2.37 4.81 -0.84 0.81 114.58 120.72 1bks h GLU 242 Ca 0.17 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1bks h GLU 242 Cb 0.17 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.53 1bks h GLU 242 CO -0.20 -0.11 0.61 0.87 -0.73 0.00 0.00 179.01 179.45 1bks h LYS 243 N -0.36 0.90 -0.49 1.92 1.57 -0.12 -1.88 116.57 118.11 1bks h LYS 243 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1bks h LYS 243 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1bks h LYS 243 CO 0.05 0.60 0.00 0.09 -0.57 0.00 0.00 179.45 179.61 1bks n ASN 244 N -4.59 3.46 -0.42 0.86 3.02 -0.28 -4.54 115.26 112.78 1bks n ASN 244 Ca 0.18 -2.10 0.37 0.00 -0.03 0.00 0.00 54.58 53.00 1bks n ASN 244 Cb 0.36 -0.36 0.70 0.00 -0.61 0.00 0.00 39.78 39.87 1bks n ASN 244 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1bks h LEU 245 N 2.89 0.13 0.23 3.41 5.85 0.15 0.68 115.31 128.65 1bks h LEU 245 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1bks h LEU 245 Cb 0.92 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1bks h LEU 245 CO 0.03 -0.02 -0.11 0.00 -0.34 0.00 0.00 178.44 178.00 1bks h ALA 246 N 1.40 -0.31 -3.29 1.25 0.00 -1.80 -3.42 119.26 113.09 1bks h ALA 246 Ca 0.69 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 54.85 1bks h ALA 246 Cb 2.48 0.12 -0.36 0.00 0.00 0.00 0.00 17.79 20.03 1bks h ALA 246 CO -0.14 -0.61 -0.83 0.45 0.00 0.00 0.00 179.25 178.13 1bks s SER 247 N -5.03 3.22 -0.01 0.00 0.15 0.24 -5.04 113.70 107.22 1bks s SER 247 Ca -0.15 -0.76 -0.25 0.00 0.70 0.00 0.00 55.95 55.49 1bks s SER 247 Cb 0.04 -1.31 -0.18 0.00 -1.71 0.00 0.00 66.02 62.86 1bks s SER 247 CO 0.62 -0.09 1.21 -0.65 1.20 0.00 0.00 173.24 175.54 1bks h PRO 248 N 7.97 -0.14 -1.03 5.44 0.11 -1.83 -2.49 132.00 140.03 1bks h PRO 248 Ca -0.35 0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.04 1bks h PRO 248 Cb 1.11 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1bks h PRO 248 CO 0.53 0.27 0.68 -0.22 -0.21 0.00 0.00 178.00 179.06 1bks h LYS 249 N -0.60 0.30 0.00 1.05 3.11 -1.96 0.53 116.57 119.00 1bks h LYS 249 Ca -0.01 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1bks h LYS 249 Cb 0.48 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1bks h LYS 249 CO 0.02 0.20 -0.80 0.37 -2.81 0.00 0.00 179.45 176.44 1bks h GLN 250 N 0.31 0.00 -0.52 1.90 5.75 -1.92 -3.10 115.11 117.53 1bks h GLN 250 Ca 0.56 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.96 1bks h GLN 250 Cb 1.57 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.10 1bks h GLN 250 CO -0.21 0.00 -0.04 1.98 -2.65 0.00 0.00 178.83 177.91 1bks h MET 251 N 0.00 0.94 -0.08 1.69 4.05 0.51 -1.39 114.93 120.65 1bks h MET 251 Ca 0.00 -0.32 -0.05 0.00 -0.28 0.00 0.00 59.70 59.05 1bks h MET 251 Cb 0.95 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1bks h MET 251 CO 0.00 0.98 -0.14 -0.07 0.23 0.00 0.00 176.91 177.90 1bks h LEU 252 N 0.81 0.26 -0.24 3.39 3.38 -1.46 -2.38 115.31 119.07 1bks h LEU 252 Ca 0.14 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1bks h LEU 252 Cb 0.58 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1bks h LEU 252 CO 0.03 0.76 -0.07 0.00 0.09 0.00 0.00 178.44 179.25 1bks h ALA 253 N 0.50 0.14 -0.38 1.53 0.00 -1.51 0.34 119.26 119.88 1bks h ALA 253 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bks h ALA 253 Cb 0.72 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1bks h ALA 253 CO 0.03 -0.49 0.14 1.49 0.00 0.00 0.00 179.25 180.42 1bks h GLU 254 N -0.02 0.54 0.03 0.00 4.81 -1.30 -2.47 114.58 116.17 1bks h GLU 254 Ca 0.12 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1bks h GLU 254 Cb 0.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1bks h GLU 254 CO -0.26 0.47 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.41 1bks h LEU 255 N 0.54 -0.04 -0.05 1.64 3.38 -0.69 -2.23 115.31 117.87 1bks h LEU 255 Ca 0.13 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1bks h LEU 255 Cb 0.14 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1bks h LEU 255 CO -0.01 0.42 -0.38 -0.09 0.09 0.00 0.00 178.44 178.47 1bks h ARG 256 N -0.50 -0.48 0.28 1.13 9.65 -0.14 -1.71 114.38 122.61 1bks h ARG 256 Ca -0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1bks h ARG 256 Cb 0.46 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1bks h ARG 256 CO 0.01 -0.32 -0.29 0.77 2.80 0.00 0.00 179.97 182.94 1bks h SER 257 N -0.50 -0.78 -0.39 -3.80 0.02 -1.53 -0.13 113.55 106.44 1bks h SER 257 Ca 0.07 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1bks h SER 257 Cb 0.61 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 1bks h SER 257 CO -0.33 -0.41 -0.14 0.15 -1.14 0.00 0.00 176.83 174.97 1bks h PHE 258 N -0.61 -0.31 -0.27 3.45 3.57 -1.27 0.33 116.94 121.83 1bks h PHE 258 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1bks h PHE 258 Cb 0.56 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1bks h PHE 258 CO -0.18 -0.21 0.12 0.28 -2.23 0.00 0.00 178.31 176.09 1bks h VAL 259 N -0.05 1.16 -0.94 1.41 2.07 -1.15 -1.07 116.25 117.68 1bks h VAL 259 Ca 0.19 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.35 1bks h VAL 259 Cb 0.34 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1bks h VAL 259 CO -0.43 0.16 0.60 0.28 0.02 0.00 0.00 177.57 178.20 1bks h SER 260 N 0.30 0.85 0.74 0.57 0.02 -0.42 0.95 113.55 116.56 1bks h SER 260 Ca 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1bks h SER 260 Cb 0.14 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1bks h SER 260 CO -0.01 0.48 -0.36 0.00 -1.14 0.00 0.00 176.83 175.81 1bks h ALA 261 N 1.54 -1.00 -0.92 3.77 0.00 -0.51 -1.58 119.26 120.57 1bks h ALA 261 Ca 0.45 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.28 1bks h ALA 261 Cb 0.45 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1bks h ALA 261 CO -0.21 -0.92 0.59 0.52 0.00 0.00 0.00 179.25 179.22 1bks h MET 262 N -1.27 0.72 -0.12 0.00 2.86 -0.81 -1.94 114.93 114.38 1bks h MET 262 Ca -0.10 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1bks h MET 262 Cb 0.76 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1bks h MET 262 CO 0.17 0.48 -0.12 -0.22 1.06 0.00 0.00 176.91 178.27 1bks h LYS 263 N 0.74 0.29 -0.91 1.72 1.63 -0.83 -3.14 116.57 116.06 1bks h LYS 263 Ca 0.46 -0.15 0.12 0.00 -0.85 0.00 0.00 60.65 60.23 1bks h LYS 263 Cb 0.70 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.26 1bks h LYS 263 CO -0.22 0.70 0.59 0.00 -3.45 0.00 0.00 179.45 177.06 1bks h ALA 264 N 0.59 1.68 0.00 5.00 0.00 -0.53 -0.82 119.26 125.18 1bks h ALA 264 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bks h ALA 264 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bks h ALA 264 CO 0.03 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1bks n ALA 265 N -2.40 2.48 -0.03 0.00 0.00 -0.91 -3.09 120.51 116.56 1bks n ALA 265 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1bks n ALA 265 Cb 0.37 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1bks n ALA 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bks n SER 266 N -0.87 0.22 0.00 0.00 3.41 -0.31 -3.02 113.62 113.04 1bks n SER 266 Ca 0.15 0.10 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 1bks n SER 266 Cb 0.07 1.15 0.53 0.00 -0.26 0.00 0.00 64.21 65.70 1bks n SER 266 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42