#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cct n GLY 6 N 0.00 2.78 0.10 -1.67 0.00 -0.72 -5.05 105.19 100.62 1cct n GLY 6 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1cct n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cct n TYR 7 N 0.00 0.00 -2.28 1.61 4.02 -1.26 -3.96 117.16 115.29 1cct n TYR 7 Ca 0.00 -0.76 -0.21 0.00 -0.01 0.00 0.00 57.90 56.92 1cct n TYR 7 Cb 0.00 -0.11 0.12 0.00 -0.02 0.00 0.00 39.34 39.33 1cct n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cct n GLY 8 N -1.05 -0.06 0.32 2.72 0.00 -1.26 -4.70 105.19 101.16 1cct n GLY 8 Ca 0.11 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 1cct n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cct h LYS 9 N 0.00 1.09 0.00 1.61 1.63 -1.97 0.39 116.57 119.32 1cct h LYS 9 Ca -0.30 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1cct h LYS 9 Cb 1.00 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1cct h LYS 9 CO 0.28 0.78 -0.86 0.45 -3.45 0.00 0.00 179.45 176.66 1cct h HIS 10 N 1.09 0.00 0.00 1.91 3.86 -2.00 -3.40 115.15 116.61 1cct h HIS 10 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1cct h HIS 10 Cb -0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1cct h HIS 10 CO -0.00 0.00 -0.10 0.27 0.86 0.00 0.00 177.93 178.95 1cct n ASN 11 N -2.47 0.83 -3.60 2.45 6.94 -1.17 -4.95 115.26 113.28 1cct n ASN 11 Ca 0.01 -1.74 -0.30 0.00 -0.02 0.00 0.00 54.58 52.53 1cct n ASN 11 Cb 0.51 -0.10 0.29 0.00 -2.36 0.00 0.00 39.78 38.12 1cct n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1cct s GLY 12 N -0.85 1.42 0.54 4.83 0.00 0.14 -1.76 107.32 111.65 1cct s GLY 12 Ca 0.04 -0.69 0.29 0.00 0.00 0.00 0.00 44.72 44.36 1cct s GLY 12 CO 0.00 0.28 1.93 -2.55 0.00 0.00 0.00 173.10 172.76 1cct h PRO 13 N -3.35 0.00 0.00 2.90 0.11 -1.83 0.38 132.00 130.21 1cct h PRO 13 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cct h PRO 13 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1cct h PRO 13 CO 0.32 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.26 1cct n GLU 14 N -4.21 0.09 -0.01 1.05 0.00 -1.26 -2.79 120.64 113.52 1cct n GLU 14 Ca 0.13 0.28 0.08 0.00 0.00 0.00 0.00 57.16 57.66 1cct n GLU 14 Cb 0.78 -1.66 -0.12 0.00 0.00 0.00 0.00 31.44 30.44 1cct n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1cct n HIS 15 N -1.83 0.00 0.20 -1.84 8.25 0.11 -4.66 115.22 115.46 1cct n HIS 15 Ca 0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 1cct n HIS 15 Cb 0.23 -0.30 0.70 0.00 1.12 0.00 0.00 29.99 31.74 1cct n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cct h TRP 16 N 0.00 0.00 0.00 4.41 6.55 -1.41 -2.73 115.95 122.78 1cct h TRP 16 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1cct h TRP 16 Cb 0.68 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1cct h TRP 16 CO 0.00 0.00 -0.02 1.12 -1.05 0.00 0.00 178.44 178.49 1cct h HIS 17 N 0.00 0.00 -0.73 0.49 2.07 -1.79 0.26 115.15 115.45 1cct h HIS 17 Ca 0.07 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.53 1cct h HIS 17 Cb 0.29 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.24 1cct h HIS 17 CO 0.00 0.02 0.22 0.87 -3.07 0.00 0.00 177.93 175.97 1cct h LYS 18 N 0.00 1.14 0.00 5.12 1.57 -1.84 -2.81 116.57 119.75 1cct h LYS 18 Ca -0.00 -0.25 -0.23 0.00 -1.87 0.00 0.00 60.65 58.30 1cct h LYS 18 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1cct h LYS 18 CO 0.00 0.98 -2.09 -0.25 -0.57 0.00 0.00 179.45 177.52 1cct n ASP 19 N -4.26 0.17 -3.70 0.86 8.00 -0.93 -4.70 116.55 111.99 1cct n ASP 19 Ca 0.06 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 1cct n ASP 19 Cb 0.23 1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 42.32 1cct n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cct s PHE 20 N -2.86 2.24 0.61 1.24 0.08 0.88 -4.98 117.98 115.19 1cct s PHE 20 Ca -0.08 -2.66 0.29 0.00 0.12 0.00 0.00 56.93 54.60 1cct s PHE 20 Cb 0.09 -1.92 1.56 0.00 -0.57 0.00 0.00 43.02 42.18 1cct s PHE 20 CO 0.85 -0.73 1.95 -1.35 -0.10 0.00 0.00 175.22 175.84 1cct h PRO 21 N 6.14 0.00 0.00 0.24 0.11 -1.73 0.49 132.00 137.25 1cct h PRO 21 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1cct h PRO 21 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1cct h PRO 21 CO 0.53 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.83 1cct n ILE 22 N -3.55 1.28 0.15 4.15 3.06 -1.26 -2.49 119.36 120.69 1cct n ILE 22 Ca 0.04 0.44 0.19 0.00 -2.50 0.00 0.00 62.75 60.93 1cct n ILE 22 Cb 0.52 -1.37 0.79 0.00 0.54 0.00 0.00 39.64 40.11 1cct n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cct h ALA 23 N 2.17 1.94 -0.41 1.51 0.00 -1.21 0.31 119.26 123.58 1cct h ALA 23 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1cct h ALA 23 Cb 0.14 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 1cct h ALA 23 CO 0.00 -0.48 -0.25 0.36 0.00 0.00 0.00 179.25 178.88 1cct n LYS 24 N -3.72 2.20 0.00 0.00 2.85 -1.04 -4.96 118.16 113.49 1cct n LYS 24 Ca 0.04 -3.42 0.00 0.00 -1.05 0.00 0.00 58.31 53.88 1cct n LYS 24 Cb 0.48 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 1cct n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1cct n GLY 25 N -1.03 -2.00 0.11 2.58 0.00 0.11 -5.01 105.19 99.95 1cct n GLY 25 Ca 0.35 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.96 1cct n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cct h GLU 26 N 0.00 0.00 -1.40 1.61 4.39 -1.96 -3.40 114.58 113.83 1cct h GLU 26 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 1cct h GLU 26 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 1cct h GLU 26 CO 0.00 0.00 -1.00 2.89 -1.16 0.00 0.00 179.01 179.74 1cct n ARG 27 N -2.56 2.05 -2.80 2.33 1.85 -1.26 -4.82 116.66 111.46 1cct n ARG 27 Ca 0.01 -3.82 -0.34 0.00 -1.00 0.00 0.00 57.85 52.71 1cct n ARG 27 Cb 0.52 -1.71 -0.07 0.00 -1.05 0.00 0.00 32.46 30.15 1cct n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cct s GLN 28 N -3.21 4.27 0.18 2.89 -1.52 -1.26 -2.00 119.66 119.01 1cct s GLN 28 Ca 0.37 1.17 0.08 0.00 -1.95 0.00 0.00 55.36 55.04 1cct s GLN 28 Cb 0.41 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.87 1cct s GLN 28 CO -0.07 0.00 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.69 1cct s SER 29 N -2.07 2.62 1.02 5.90 0.01 -1.26 -4.65 113.70 115.27 1cct s SER 29 Ca 0.60 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1cct s SER 29 Cb -0.11 -0.15 0.23 0.00 0.21 0.00 0.00 66.02 66.21 1cct s SER 29 CO 0.15 -0.10 1.32 -2.16 0.41 0.00 0.00 173.24 172.87 1cct s PRO 30 N -3.16 0.13 0.17 12.44 0.04 -1.26 -4.69 135.00 138.67 1cct s PRO 30 Ca 0.18 -0.47 -0.02 0.00 0.04 0.00 0.00 61.00 60.73 1cct s PRO 30 Cb -0.04 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1cct s PRO 30 CO 0.07 -2.75 0.12 0.14 0.04 0.00 0.00 177.00 174.62 1cct s VAL 31 N -3.84 0.05 -0.17 -0.36 -7.23 -1.26 0.00 120.40 107.59 1cct s VAL 31 Ca 0.76 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 1cct s VAL 31 Cb -0.03 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1cct s VAL 31 CO 0.54 -0.21 0.38 -0.62 -0.31 0.00 0.00 175.10 174.88 1cct s ASP 32 N -3.10 6.48 -0.51 4.85 2.15 -1.26 -2.48 116.67 122.79 1cct s ASP 32 Ca 0.31 0.56 -0.19 0.00 0.43 0.00 0.00 52.55 53.66 1cct s ASP 32 Cb 0.07 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.52 1cct s ASP 32 CO 0.07 -0.00 0.64 -0.63 -0.17 0.00 0.00 175.17 175.08 1cct s ILE 33 N 0.91 4.85 -0.49 4.11 1.01 -0.18 -4.95 121.20 126.47 1cct s ILE 33 Ca 0.19 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 1cct s ILE 33 Cb -0.14 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.05 1cct s ILE 33 CO 0.07 -0.83 0.77 -0.62 0.00 0.00 0.00 174.94 174.33 1cct s ASP 34 N 2.73 6.33 0.29 3.58 -1.08 -1.26 -0.29 116.67 126.98 1cct s ASP 34 Ca 0.16 -0.40 0.25 0.00 -0.52 0.00 0.00 52.55 52.03 1cct s ASP 34 Cb -0.19 -2.37 1.04 0.00 -1.46 0.00 0.00 42.92 39.94 1cct s ASP 34 CO 0.12 -0.98 1.74 0.71 0.52 0.00 0.00 175.17 177.29 1cct h THR 35 N 5.95 0.00 0.00 1.71 1.35 -1.95 -2.11 112.91 117.86 1cct h THR 35 Ca -0.26 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1cct h THR 35 Cb 1.09 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1cct h THR 35 CO 0.99 0.00 -0.83 0.45 -0.25 0.00 0.00 175.52 175.88 1cct h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.33 115.15 118.39 1cct h HIS 36 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1cct h HIS 36 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1cct h HIS 36 CO 0.00 0.00 -1.96 2.41 0.86 0.00 0.00 177.93 179.24 1cct n THR 37 N -2.37 0.34 -1.98 2.45 -1.04 -1.16 -4.97 114.28 105.55 1cct n THR 37 Ca 0.02 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.05 61.04 1cct n THR 37 Cb 0.49 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.84 1cct n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cct s ALA 38 N -3.31 3.60 -0.32 2.41 0.00 -0.80 -4.87 121.76 118.48 1cct s ALA 38 Ca -0.08 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1cct s ALA 38 Cb 0.12 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1cct s ALA 38 CO 0.88 -0.79 0.52 0.21 0.00 0.00 0.00 175.76 176.59 1cct s LYS 39 N -0.98 3.81 -0.01 0.00 2.36 -0.06 -4.85 119.74 120.01 1cct s LYS 39 Ca 0.56 0.05 -0.30 0.00 -2.55 0.00 0.00 55.97 53.73 1cct s LYS 39 Cb -0.43 -3.75 -0.07 0.00 -1.05 0.00 0.00 37.83 32.54 1cct s LYS 39 CO 0.49 -0.54 1.81 -0.47 1.55 0.00 0.00 175.35 178.20 1cct s TYR 40 N 2.39 1.63 -0.29 4.03 5.04 -1.26 -0.63 117.35 128.26 1cct s TYR 40 Ca 0.20 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 1cct s TYR 40 Cb -0.15 -4.08 0.07 0.00 0.35 0.00 0.00 41.96 38.14 1cct s TYR 40 CO 0.12 -4.71 -0.03 0.34 -1.34 0.00 0.00 175.55 169.92 1cct s ASP 41 N 3.91 4.67 0.57 4.32 2.15 -0.58 -4.91 116.67 126.80 1cct s ASP 41 Ca 0.81 -1.53 0.35 0.00 0.43 0.00 0.00 52.55 52.61 1cct s ASP 41 Cb -0.38 -1.62 1.58 0.00 -0.30 0.00 0.00 42.92 42.20 1cct s ASP 41 CO 0.36 -0.26 2.06 1.55 -0.17 0.00 0.00 175.17 178.71 1cct h PRO 42 N 7.82 0.00 -0.06 4.34 0.13 -1.93 -2.65 132.00 139.65 1cct h PRO 42 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1cct h PRO 42 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1cct h PRO 42 CO 0.50 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.16 1cct n SER 43 N -3.12 0.40 -4.65 1.44 3.41 -1.26 -4.76 113.62 105.08 1cct n SER 43 Ca -0.00 -1.77 -0.40 0.00 -0.26 0.00 0.00 58.87 56.44 1cct n SER 43 Cb 0.26 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1cct n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1cct s LEU 44 N -1.26 4.12 0.52 1.04 2.96 -1.00 -5.03 118.68 120.04 1cct s LEU 44 Ca 0.16 0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 1cct s LEU 44 Cb 0.08 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.82 1cct s LEU 44 CO 0.12 -0.30 0.92 -0.54 -1.32 0.00 0.00 176.35 175.23 1cct s LYS 45 N 2.07 3.73 0.67 1.98 1.02 -1.25 -5.01 119.74 122.93 1cct s LYS 45 Ca 0.28 0.65 -0.17 0.00 0.02 0.00 0.00 55.97 56.76 1cct s LYS 45 Cb -0.16 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1cct s LYS 45 CO 0.10 -0.31 1.20 -2.14 -0.92 0.00 0.00 175.35 173.28 1cct s PRO 46 N -4.50 2.55 0.49 -1.68 0.02 -1.26 -2.97 135.00 127.65 1cct s PRO 46 Ca 0.54 1.75 -0.19 0.00 0.02 0.00 0.00 61.00 63.12 1cct s PRO 46 Cb -0.10 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 1cct s PRO 46 CO 0.41 -1.52 1.02 -0.51 -0.33 0.00 0.00 177.00 176.08 1cct s LEU 47 N -4.68 3.79 -0.36 -5.54 1.43 -1.26 -1.14 118.68 110.92 1cct s LEU 47 Ca 0.75 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 55.70 1cct s LEU 47 Cb -0.29 -4.55 0.11 0.00 0.03 0.00 0.00 46.19 41.50 1cct s LEU 47 CO 0.40 -0.75 0.15 -0.55 0.23 0.00 0.00 176.35 175.82 1cct s SER 48 N -2.22 3.95 -0.40 2.29 0.15 -0.07 -4.86 113.70 112.55 1cct s SER 48 Ca 0.65 -2.08 -0.12 0.00 0.70 0.00 0.00 55.95 55.10 1cct s SER 48 Cb -0.15 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1cct s SER 48 CO 0.22 -0.35 0.25 -0.69 1.20 0.00 0.00 173.24 173.87 1cct s VAL 49 N 1.05 4.76 -0.69 4.45 1.01 -1.26 -1.55 120.40 128.16 1cct s VAL 49 Ca 0.13 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1cct s VAL 49 Cb -0.20 -3.70 0.18 0.00 0.00 0.00 0.00 36.38 32.65 1cct s VAL 49 CO -0.13 -0.32 0.54 -0.44 0.00 0.00 0.00 175.10 174.74 1cct s SER 50 N 1.74 5.66 0.00 3.32 0.01 0.35 -4.90 113.70 119.89 1cct s SER 50 Ca 0.03 -2.83 0.03 0.00 1.31 0.00 0.00 55.95 54.49 1cct s SER 50 Cb -0.20 -1.95 0.09 0.00 0.21 0.00 0.00 66.02 64.17 1cct s SER 50 CO 0.07 -0.42 1.06 -1.22 0.41 0.00 0.00 173.24 173.14 1cct n TYR 51 N 3.59 0.13 0.22 2.43 4.01 -1.26 -1.25 117.16 125.03 1cct n TYR 51 Ca 0.10 -0.48 0.10 0.00 -0.16 0.00 0.00 57.90 57.46 1cct n TYR 51 Cb 0.40 -0.04 0.66 0.00 -0.31 0.00 0.00 39.34 40.05 1cct n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cct h ASP 52 N 0.61 0.00 -0.66 7.72 2.03 -1.90 -2.06 116.42 122.15 1cct h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cct h ASP 52 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1cct h ASP 52 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 179.24 179.88 1cct n GLN 53 N -4.49 3.82 -1.78 4.15 -0.06 -1.25 -5.01 117.38 112.76 1cct n GLN 53 Ca -0.01 -2.93 -0.40 0.00 -2.00 0.00 0.00 57.00 51.66 1cct n GLN 53 Cb 0.17 -1.92 0.01 0.00 -4.06 0.00 0.00 30.24 24.44 1cct n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cct s ALA 54 N -1.88 3.31 -0.25 1.69 0.00 -0.78 -4.61 121.76 119.24 1cct s ALA 54 Ca 0.52 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1cct s ALA 54 Cb 0.34 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.93 1cct s ALA 54 CO 0.25 -1.20 0.00 0.99 0.00 0.00 0.00 175.76 175.80 1cct s THR 55 N -1.18 1.32 0.41 0.00 2.01 -1.26 -4.89 115.64 112.05 1cct s THR 55 Ca 0.60 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1cct s THR 55 Cb -0.45 -1.75 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 1cct s THR 55 CO 0.59 -0.29 0.76 -0.94 -0.69 0.00 0.00 174.62 174.05 1cct s SER 56 N 1.46 6.47 0.00 3.53 1.04 -1.26 -1.28 113.70 123.66 1cct s SER 56 Ca -0.00 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1cct s SER 56 Cb -0.18 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1cct s SER 56 CO -0.10 -0.42 0.00 0.18 0.98 0.00 0.00 173.24 173.87 1cct n LEU 57 N -1.45 0.77 -3.78 2.42 4.77 -0.44 -3.96 117.00 115.34 1cct n LEU 57 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 1cct n LEU 57 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1cct n LEU 57 CO 0.49 0.05 0.65 0.00 -1.33 0.00 0.00 177.39 177.25 1cct s ARG 58 N -1.93 1.36 -0.02 3.23 1.04 -1.21 -0.10 118.95 121.32 1cct s ARG 58 Ca 0.00 -0.75 0.04 0.00 -1.04 0.00 0.00 55.73 53.98 1cct s ARG 58 Cb 0.00 0.46 -0.01 0.00 -2.04 0.00 0.00 34.95 33.37 1cct s ARG 58 CO 0.00 -0.62 -0.13 -1.50 -0.04 0.00 0.00 175.30 173.01 1cct s ILE 59 N -3.46 1.06 0.05 4.99 2.07 -0.47 0.10 121.20 125.54 1cct s ILE 59 Ca 0.12 -0.55 -0.05 0.00 -1.41 0.00 0.00 60.65 58.76 1cct s ILE 59 Cb -0.03 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 1cct s ILE 59 CO 0.03 0.30 0.08 -1.48 -1.91 0.00 0.00 174.94 171.97 1cct s LEU 60 N -0.17 1.92 -0.36 8.50 2.34 -0.19 -0.06 118.68 130.67 1cct s LEU 60 Ca 0.02 -0.70 -0.06 0.00 0.06 0.00 0.00 54.13 53.46 1cct s LEU 60 Cb -0.07 0.58 0.06 0.00 -0.56 0.00 0.00 46.19 46.21 1cct s LEU 60 CO 0.00 -0.59 0.14 0.21 -1.06 0.00 0.00 176.35 175.05 1cct s ASN 61 N -2.54 5.30 -0.01 1.48 3.84 -0.24 -0.47 114.94 122.29 1cct s ASN 61 Ca 0.01 -1.40 0.17 0.00 0.21 0.00 0.00 52.86 51.85 1cct s ASN 61 Cb 0.03 -1.86 0.51 0.00 -0.55 0.00 0.00 41.25 39.38 1cct s ASN 61 CO -0.08 -0.40 1.42 -0.46 -2.79 0.00 0.00 177.10 174.79 1cct n ASN 62 N 4.76 3.11 0.00 -4.21 0.23 -0.94 0.84 115.26 119.05 1cct n ASN 62 Ca -0.10 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 1cct n ASN 62 Cb 0.43 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1cct n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cct n GLY 63 N 1.37 1.60 0.00 4.83 0.00 -1.26 -4.79 105.19 106.93 1cct n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1cct n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cct n HIS 64 N -2.00 0.00 -3.90 1.61 -0.00 -1.26 -4.65 115.22 105.02 1cct n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1cct n HIS 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1cct n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cct n ALA 65 N -0.53 -0.33 -2.84 1.59 0.00 -1.26 -4.90 120.51 112.24 1cct n ALA 65 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1cct n ALA 65 Cb 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 1cct n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cct s PHE 66 N -2.70 1.91 -0.09 0.00 -0.12 -1.26 -2.22 117.98 113.50 1cct s PHE 66 Ca 0.03 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1cct s PHE 66 Cb -0.00 -1.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.10 1cct s PHE 66 CO -0.00 -0.17 -0.12 -0.80 -0.05 0.00 0.00 175.22 174.08 1cct s ASN 67 N -0.04 4.18 -0.29 1.98 0.02 0.37 -4.28 114.94 116.88 1cct s ASN 67 Ca -0.03 -0.22 -0.10 0.00 -1.02 0.00 0.00 52.86 51.49 1cct s ASN 67 Cb -0.12 -1.29 -0.03 0.00 0.02 0.00 0.00 41.25 39.84 1cct s ASN 67 CO 0.02 0.26 0.16 -0.69 0.02 0.00 0.00 177.10 176.87 1cct s VAL 68 N -0.21 4.85 0.04 1.60 1.01 -0.29 -1.02 120.40 126.38 1cct s VAL 68 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1cct s VAL 68 Cb -0.13 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1cct s VAL 68 CO 0.03 0.17 0.28 -1.61 0.00 0.00 0.00 175.10 173.97 1cct s GLU 69 N 1.67 3.57 0.15 2.72 2.02 0.29 -1.90 118.70 127.23 1cct s GLU 69 Ca 0.06 -0.12 0.09 0.00 0.02 0.00 0.00 54.97 55.01 1cct s GLU 69 Cb -0.16 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1cct s GLU 69 CO 0.08 0.61 -0.19 -0.06 0.02 0.00 0.00 175.26 175.72 1cct s PHE 70 N -1.38 1.83 -0.46 1.61 0.40 -0.21 -1.33 117.98 118.44 1cct s PHE 70 Ca 0.31 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 1cct s PHE 70 Cb -0.13 -0.93 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1cct s PHE 70 CO 0.19 0.31 1.31 0.34 0.70 0.00 0.00 175.22 178.07 1cct s ASP 71 N -2.50 6.41 -0.48 1.36 2.15 -0.41 -4.81 116.67 118.40 1cct s ASP 71 Ca 0.14 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1cct s ASP 71 Cb -0.07 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 1cct s ASP 71 CO 0.06 -1.41 1.63 -0.90 -0.17 0.00 0.00 175.17 174.38 1cct n ASP 72 N 8.57 6.22 0.01 -0.34 5.75 -1.26 -4.62 116.55 130.89 1cct n ASP 72 Ca 0.14 -3.77 0.12 0.00 -0.01 0.00 0.00 54.79 51.27 1cct n ASP 72 Cb 0.48 -0.67 0.20 0.00 -1.03 0.00 0.00 41.12 40.10 1cct n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cct n SER 73 N -0.83 0.56 -3.96 -1.12 3.41 -1.26 -4.89 113.62 105.53 1cct n SER 73 Ca 0.53 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1cct n SER 73 Cb 0.83 0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 1cct n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cct s GLN 74 N -3.04 1.00 -1.24 4.33 -0.21 -1.26 -5.07 119.66 114.16 1cct s GLN 74 Ca 0.09 -1.14 -0.18 0.00 0.02 0.00 0.00 55.36 54.16 1cct s GLN 74 Cb 0.16 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.51 1cct s GLN 74 CO 0.72 -0.34 1.98 -0.25 -2.12 0.00 0.00 175.29 175.29 1cct n ASP 75 N -0.13 3.83 -0.07 5.90 9.92 -1.26 -4.60 116.55 130.14 1cct n ASP 75 Ca -0.10 -2.81 -0.19 0.00 -0.53 0.00 0.00 54.79 51.15 1cct n ASP 75 Cb 0.63 -1.60 -0.13 0.00 -0.64 0.00 0.00 41.12 39.38 1cct n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cct n LYS 76 N 7.27 0.70 -3.79 -1.24 5.02 -1.26 -4.82 118.16 120.03 1cct n LYS 76 Ca 0.50 0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 56.70 1cct n LYS 76 Cb 0.42 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 1cct n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cct s ALA 77 N -2.54 1.33 0.11 7.82 0.00 -1.26 -3.54 121.76 123.68 1cct s ALA 77 Ca -0.29 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1cct s ALA 77 Cb 0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1cct s ALA 77 CO 0.68 -1.24 -0.07 0.14 0.00 0.00 0.00 175.76 175.27 1cct s VAL 78 N 1.70 0.77 -0.04 0.00 -7.23 -0.38 -1.24 120.40 113.98 1cct s VAL 78 Ca -0.01 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1cct s VAL 78 Cb -0.18 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1cct s VAL 78 CO -0.10 -0.83 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.44 1cct s LEU 79 N -3.07 1.99 0.36 1.32 0.20 -0.16 -0.49 118.68 118.83 1cct s LEU 79 Ca 0.13 -0.39 -0.10 0.00 0.69 0.00 0.00 54.13 54.46 1cct s LEU 79 Cb 0.05 -1.09 0.03 0.00 -0.43 0.00 0.00 46.19 44.75 1cct s LEU 79 CO -0.03 0.20 0.65 -1.59 -0.29 0.00 0.00 176.35 175.29 1cct s LYS 80 N -0.15 2.09 1.15 1.98 -2.85 -0.60 -1.75 119.74 119.61 1cct s LYS 80 Ca -0.00 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 1cct s LYS 80 Cb -0.11 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1cct s LYS 80 CO 0.02 -0.93 0.00 0.41 0.10 0.00 0.00 175.35 174.94 1cct n GLY 81 N -0.54 -1.94 7.00 0.59 0.00 -1.26 -0.90 105.19 108.14 1cct n GLY 81 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1cct n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cct n GLY 82 N 0.00 2.05 0.20 -0.02 0.00 -0.29 -1.79 105.19 105.34 1cct n GLY 82 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1cct n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cct n PRO 83 N 13.23 1.18 -2.88 1.61 -0.04 -1.26 -3.92 135.00 142.92 1cct n PRO 83 Ca 0.00 -0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 62.73 1cct n PRO 83 Cb 0.00 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 1cct n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cct s LEU 84 N -2.10 3.96 -0.27 1.53 1.43 -0.74 -5.07 118.68 117.42 1cct s LEU 84 Ca 0.40 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1cct s LEU 84 Cb 0.21 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1cct s LEU 84 CO 0.38 -0.33 -0.09 -1.81 0.23 0.00 0.00 176.35 174.73 1cct s ASP 85 N -2.24 4.52 0.00 2.29 1.01 -1.26 -4.33 116.67 116.66 1cct s ASP 85 Ca 0.60 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 52.41 1cct s ASP 85 Cb -0.09 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.26 1cct s ASP 85 CO 0.15 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1cct n GLY 86 N 4.43 -3.12 3.71 0.21 0.00 -1.26 -4.97 105.19 104.20 1cct n GLY 86 Ca -0.13 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1cct n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cct s THR 87 N -0.62 5.07 -0.16 2.61 2.01 -1.26 -4.56 115.64 118.73 1cct s THR 87 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1cct s THR 87 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1cct s THR 87 CO 0.00 0.49 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.96 1cct s TYR 88 N 0.04 2.78 -0.04 4.92 1.51 -0.72 -1.31 117.35 124.53 1cct s TYR 88 Ca 0.07 -1.06 -0.11 0.00 -1.01 0.00 0.00 57.07 54.96 1cct s TYR 88 Cb -0.12 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1cct s TYR 88 CO 0.00 -0.49 0.29 1.03 -1.11 0.00 0.00 175.55 175.28 1cct s ARG 89 N 0.83 3.70 -0.11 -0.62 0.52 0.06 -0.98 118.95 122.35 1cct s ARG 89 Ca -0.05 0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 1cct s ARG 89 Cb -0.15 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1cct s ARG 89 CO -0.00 0.72 1.30 -1.17 0.02 0.00 0.00 175.30 176.17 1cct s LEU 90 N -1.14 4.23 -0.24 2.53 2.96 -0.37 -1.18 118.68 125.47 1cct s LEU 90 Ca 0.21 1.81 -0.10 0.00 -0.22 0.00 0.00 54.13 55.83 1cct s LEU 90 Cb -0.15 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1cct s LEU 90 CO 0.10 -0.74 -0.30 0.00 -1.32 0.00 0.00 176.35 174.10 1cct n ILE 91 N 5.15 1.31 -3.69 6.68 3.06 -0.17 -4.55 119.36 127.15 1cct n ILE 91 Ca 0.14 -0.36 -0.08 0.00 -2.50 0.00 0.00 62.75 59.95 1cct n ILE 91 Cb 0.45 -1.76 -0.02 0.00 0.54 0.00 0.00 39.64 38.85 1cct n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cct s GLN 92 N -2.44 1.53 0.02 9.51 1.03 -1.22 -1.05 119.66 127.04 1cct s GLN 92 Ca -0.33 -0.76 0.00 0.00 0.04 0.00 0.00 55.36 54.31 1cct s GLN 92 Cb 0.12 0.58 -0.01 0.00 0.03 0.00 0.00 33.01 33.72 1cct s GLN 92 CO 0.43 -0.69 -0.03 -0.59 -2.54 0.00 0.00 175.29 171.87 1cct s PHE 93 N -3.77 0.28 0.30 9.60 -0.12 -0.80 -1.03 117.98 122.43 1cct s PHE 93 Ca 0.08 -0.38 -0.14 0.00 -0.05 0.00 0.00 56.93 56.45 1cct s PHE 93 Cb -0.04 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.18 1cct s PHE 93 CO -0.01 -0.12 0.59 -3.38 -0.05 0.00 0.00 175.22 172.26 1cct s HIS 94 N -1.03 0.31 0.30 3.49 -3.43 -0.73 -1.14 115.29 113.06 1cct s HIS 94 Ca -0.10 -0.73 0.04 0.00 -0.80 0.00 0.00 55.06 53.47 1cct s HIS 94 Cb -0.07 0.39 -0.06 0.00 -1.43 0.00 0.00 32.58 31.40 1cct s HIS 94 CO -0.01 -1.18 0.03 -0.06 -2.00 0.00 0.00 174.74 171.52 1cct s PHE 95 N -3.51 1.89 -0.07 0.38 0.40 -1.26 -0.40 117.98 115.42 1cct s PHE 95 Ca 0.20 -0.92 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 1cct s PHE 95 Cb -0.03 -1.19 0.02 0.00 0.51 0.00 0.00 43.02 42.33 1cct s PHE 95 CO 0.11 0.03 -0.07 -1.01 0.70 0.00 0.00 175.22 174.98 1cct s HIS 96 N -3.29 1.09 0.21 0.36 3.76 -0.67 -4.72 115.29 112.04 1cct s HIS 96 Ca 0.34 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1cct s HIS 96 Cb 0.08 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1cct s HIS 96 CO 0.14 -0.29 0.17 1.67 -0.85 0.00 0.00 174.74 175.58 1cct s TRP 97 N 1.08 1.15 0.40 1.40 -2.14 -1.25 -0.66 118.94 118.91 1cct s TRP 97 Ca -0.08 -1.35 0.04 0.00 2.66 0.00 0.00 56.10 57.36 1cct s TRP 97 Cb -0.14 -0.51 0.04 0.00 -3.10 0.00 0.00 33.47 29.75 1cct s TRP 97 CO -0.01 -0.69 0.29 0.41 -2.66 0.00 0.00 176.95 174.30 1cct n GLY 98 N -0.31 2.85 0.12 3.67 0.00 -1.14 -1.58 105.19 108.81 1cct n GLY 98 Ca 0.02 -2.27 0.03 0.00 0.00 0.00 0.00 46.02 43.80 1cct n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cct h SER 99 N 0.49 0.00 -3.33 1.61 4.64 -1.91 -3.39 113.55 111.65 1cct h SER 99 Ca -0.25 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.62 1cct h SER 99 Cb 0.92 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.87 1cct h SER 99 CO 0.40 0.46 -0.66 -0.76 -0.87 0.00 0.00 176.83 175.40 1cct s LEU 100 N -6.10 2.35 0.47 5.97 2.01 -1.26 -5.04 118.68 117.07 1cct s LEU 100 Ca 0.01 -1.21 0.20 0.00 0.01 0.00 0.00 54.13 53.13 1cct s LEU 100 Cb 0.08 -0.47 1.17 0.00 0.01 0.00 0.00 46.19 46.98 1cct s LEU 100 CO 0.77 -0.43 2.01 0.44 1.01 0.00 0.00 176.35 180.15 1cct h ASP 101 N 2.35 0.00 0.37 2.29 3.32 -1.91 -2.91 116.42 119.92 1cct h ASP 101 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1cct h ASP 101 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1cct h ASP 101 CO 0.66 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 1cct n GLY 102 N -0.84 -0.86 3.50 2.75 0.00 -1.26 -3.62 105.19 104.85 1cct n GLY 102 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1cct n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cct s GLN 103 N -2.76 1.40 0.00 1.61 -2.07 -1.10 -4.75 119.66 111.99 1cct s GLN 103 Ca 0.11 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.50 1cct s GLN 103 Cb 0.09 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1cct s GLN 103 CO 0.24 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 1cct n GLY 104 N -0.33 3.97 3.75 2.60 0.00 -1.08 -3.22 105.19 110.89 1cct n GLY 104 Ca -0.05 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1cct n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cct s SER 105 N 0.00 4.74 -0.19 1.61 1.04 0.14 -3.87 113.70 117.17 1cct s SER 105 Ca 0.00 2.08 -0.17 0.00 0.48 0.00 0.00 55.95 58.34 1cct s SER 105 Cb 0.00 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.43 1cct s SER 105 CO 0.00 -1.88 0.04 -0.62 0.98 0.00 0.00 173.24 171.76 1cct n GLU 106 N -2.65 0.53 -2.53 4.02 1.02 -1.26 -4.82 120.64 114.95 1cct n GLU 106 Ca 0.11 0.54 -0.33 0.00 -0.02 0.00 0.00 57.16 57.46 1cct n GLU 106 Cb 0.52 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1cct n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cct s HIS 107 N -2.34 3.25 0.11 -0.32 3.76 -1.26 -4.45 115.29 114.03 1cct s HIS 107 Ca -0.25 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.26 1cct s HIS 107 Cb 0.05 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 1cct s HIS 107 CO 0.46 -0.47 -0.13 0.95 -0.85 0.00 0.00 174.74 174.69 1cct s THR 108 N -2.31 1.24 -0.23 1.30 -4.23 -1.03 -4.70 115.64 105.67 1cct s THR 108 Ca 0.62 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1cct s THR 108 Cb -0.12 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.29 1cct s THR 108 CO 0.23 -0.43 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.05 1cct s VAL 109 N -2.15 2.20 -1.41 2.29 1.01 -0.77 -1.01 120.40 120.55 1cct s VAL 109 Ca 0.08 -1.33 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1cct s VAL 109 Cb -0.05 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.25 1cct s VAL 109 CO 0.02 0.19 0.64 0.47 0.00 0.00 0.00 175.10 176.43 1cct n ASP 110 N 4.52 -4.46 0.00 3.32 8.00 0.61 0.31 116.55 128.84 1cct n ASP 110 Ca -0.17 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1cct n ASP 110 Cb 0.45 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1cct n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cct n LYS 111 N -4.04 -0.52 -2.86 -1.24 4.76 -1.26 -5.00 118.16 107.99 1cct n LYS 111 Ca -0.02 0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 1cct n LYS 111 Cb 0.55 -3.61 -0.04 0.00 -1.84 0.00 0.00 35.03 30.09 1cct n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cct s LYS 112 N -0.65 4.51 -0.16 1.97 2.20 0.15 -5.03 119.74 122.73 1cct s LYS 112 Ca 0.00 1.18 -0.08 0.00 -0.36 0.00 0.00 55.97 56.72 1cct s LYS 112 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1cct s LYS 112 CO 0.00 0.03 0.10 0.15 -0.36 0.00 0.00 175.35 175.27 1cct s LYS 113 N 0.82 3.78 0.37 4.03 1.02 -1.26 -1.85 119.74 126.64 1cct s LYS 113 Ca 0.45 -0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.25 1cct s LYS 113 Cb -0.20 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1cct s LYS 113 CO 0.24 0.49 0.53 0.71 -0.92 0.00 0.00 175.35 176.39 1cct s TYR 114 N -0.21 3.16 0.41 3.18 2.02 -1.26 -4.69 117.35 119.95 1cct s TYR 114 Ca 0.09 -0.08 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 1cct s TYR 114 Cb -0.12 -2.08 0.87 0.00 -0.40 0.00 0.00 41.96 40.23 1cct s TYR 114 CO 0.01 -0.10 2.05 0.00 -1.57 0.00 0.00 175.55 175.94 1cct h ALA 115 N 0.75 1.72 -2.99 3.71 0.00 -1.55 0.48 119.26 121.39 1cct h ALA 115 Ca -0.46 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1cct h ALA 115 Cb 1.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1cct h ALA 115 CO 0.54 0.25 0.22 0.00 0.00 0.00 0.00 179.25 180.26 1cct s ALA 116 N -5.49 -0.92 -0.14 0.00 0.00 -1.20 -2.89 121.76 111.12 1cct s ALA 116 Ca -0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1cct s ALA 116 Cb 0.18 0.80 0.06 0.00 0.00 0.00 0.00 23.12 24.15 1cct s ALA 116 CO 0.73 -1.00 0.32 -2.00 0.00 0.00 0.00 175.76 173.82 1cct s GLU 117 N -3.24 0.28 -0.28 0.00 2.12 0.16 -2.09 118.70 115.66 1cct s GLU 117 Ca 0.14 0.69 -0.17 0.00 0.36 0.00 0.00 54.97 55.99 1cct s GLU 117 Cb -0.05 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 1cct s GLU 117 CO 0.09 -0.18 0.45 -1.17 -0.54 0.00 0.00 175.26 173.92 1cct s LEU 118 N 1.50 4.08 -0.19 2.70 2.96 0.10 -1.67 118.68 128.18 1cct s LEU 118 Ca -0.08 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1cct s LEU 118 Cb -0.10 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1cct s LEU 118 CO -0.11 -0.26 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.55 1cct s HIS 119 N 2.21 2.87 -0.26 5.38 3.76 0.47 -0.29 115.29 129.44 1cct s HIS 119 Ca 0.18 -1.07 -0.06 0.00 -0.15 0.00 0.00 55.06 53.97 1cct s HIS 119 Cb -0.16 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 1cct s HIS 119 CO 0.10 -0.55 0.03 -0.51 -0.85 0.00 0.00 174.74 172.97 1cct s LEU 120 N 1.17 3.44 -0.22 0.89 1.02 -0.45 -1.78 118.68 122.75 1cct s LEU 120 Ca 0.02 -0.52 -0.18 0.00 0.02 0.00 0.00 54.13 53.46 1cct s LEU 120 Cb -0.14 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 1cct s LEU 120 CO -0.04 -0.10 0.51 -0.69 0.02 0.00 0.00 176.35 176.05 1cct s VAL 121 N 1.51 5.10 0.05 -1.59 1.01 -0.20 -1.17 120.40 125.11 1cct s VAL 121 Ca 0.04 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.00 1cct s VAL 121 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1cct s VAL 121 CO 0.01 0.15 -0.16 -1.00 0.00 0.00 0.00 175.10 174.10 1cct s HIS 122 N 1.86 1.37 0.07 5.22 3.76 -0.23 -0.99 115.29 126.34 1cct s HIS 122 Ca 0.23 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.86 1cct s HIS 122 Cb -0.15 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 1cct s HIS 122 CO 0.09 0.06 -0.24 1.67 -0.85 0.00 0.00 174.74 175.47 1cct s TRP 123 N -0.89 2.07 -0.15 1.40 1.48 -0.32 -1.39 118.94 121.13 1cct s TRP 123 Ca 0.03 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 1cct s TRP 123 Cb -0.08 -1.21 -0.04 0.00 -1.16 0.00 0.00 33.47 30.98 1cct s TRP 123 CO 0.02 0.16 1.74 1.21 -4.06 0.00 0.00 176.95 176.01 1cct s ASN 124 N -1.44 6.34 0.23 -2.66 3.84 -0.25 -0.76 114.94 120.24 1cct s ASN 124 Ca 0.10 1.92 0.21 0.00 0.21 0.00 0.00 52.86 55.30 1cct s ASN 124 Cb -0.10 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.00 1cct s ASN 124 CO 0.03 -1.24 1.65 0.35 -2.79 0.00 0.00 177.10 175.10 1cct n THR 125 N 6.25 0.92 0.24 -5.21 -2.24 -0.43 -2.11 114.28 111.69 1cct n THR 125 Ca 0.20 0.32 0.09 0.00 -2.27 0.00 0.00 64.05 62.38 1cct n THR 125 Cb 0.44 -1.24 0.59 0.00 -2.10 0.00 0.00 70.33 68.02 1cct n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1cct h LYS 127 N 0.00 0.00 -0.23 -0.78 2.10 -1.90 -3.04 116.57 112.72 1cct h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cct h LYS 127 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1cct h LYS 127 CO 0.00 0.18 0.00 0.66 -2.00 0.00 0.00 179.45 178.29 1cct n TYR 128 N -3.93 0.30 0.00 0.07 4.01 -0.90 -5.00 117.16 111.71 1cct n TYR 128 Ca -0.02 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1cct n TYR 128 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1cct n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cct n GLY 129 N 1.09 0.85 3.53 2.72 0.00 -1.15 -4.53 105.19 107.69 1cct n GLY 129 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1cct n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cct s ASP 130 N 0.00 0.24 0.13 1.61 -4.77 -1.26 -5.05 116.67 107.57 1cct s ASP 130 Ca 0.00 -1.16 -0.16 0.00 -3.30 0.00 0.00 52.55 47.94 1cct s ASP 130 Cb 0.00 0.60 -0.01 0.00 -1.09 0.00 0.00 42.92 42.42 1cct s ASP 130 CO 0.00 -1.19 1.66 0.15 0.70 0.00 0.00 175.17 176.49 1cct h PHE 131 N 2.23 0.64 -0.84 2.11 3.57 -1.94 -2.51 116.94 120.20 1cct h PHE 131 Ca -0.28 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.28 1cct h PHE 131 Cb 1.25 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.72 1cct h PHE 131 CO 0.77 0.59 0.45 0.78 -2.23 0.00 0.00 178.31 178.68 1cct h GLY 132 N 0.50 1.34 1.52 2.40 0.00 -1.96 -1.50 103.07 105.37 1cct h GLY 132 Ca 0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 1cct h GLY 132 CO -0.01 0.03 -1.01 0.50 0.00 0.00 0.00 176.54 176.05 1cct h LYS 133 N 0.69 0.42 -0.77 4.80 6.56 -1.80 -3.33 116.57 123.14 1cct h LYS 133 Ca 0.44 -0.49 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1cct h LYS 133 Cb 0.54 0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.31 1cct h LYS 133 CO -0.32 1.15 0.35 0.00 -2.06 0.00 0.00 179.45 178.58 1cct h ALA 134 N 0.67 1.17 0.00 3.86 0.00 -0.85 -2.10 119.26 122.02 1cct h ALA 134 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cct h ALA 134 Cb 1.66 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cct h ALA 134 CO 0.18 0.62 0.00 1.33 0.00 0.00 0.00 179.25 181.38 1cct n VAL 135 N -4.31 0.00 0.64 0.00 0.24 -0.84 -1.40 118.33 112.66 1cct n VAL 135 Ca 0.07 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.47 1cct n VAL 135 Cb 0.15 -0.72 0.10 0.00 -1.47 0.00 0.00 33.84 31.90 1cct n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cct n GLN 136 N -0.98 1.80 -4.75 7.34 1.13 -0.79 -4.82 117.38 116.30 1cct n GLN 136 Ca 0.12 -1.74 -0.29 0.00 -1.94 0.00 0.00 57.00 53.14 1cct n GLN 136 Cb 0.05 -1.38 -0.14 0.00 0.11 0.00 0.00 30.24 28.88 1cct n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1cct s GLN 137 N -1.50 1.66 0.54 -1.09 -1.52 -0.49 -5.03 119.66 112.22 1cct s GLN 137 Ca 0.25 -1.16 0.20 0.00 -1.95 0.00 0.00 55.36 52.69 1cct s GLN 137 Cb 0.16 -1.92 1.42 0.00 -0.22 0.00 0.00 33.01 32.46 1cct s GLN 137 CO 0.24 0.49 2.17 -1.00 -0.25 0.00 0.00 175.29 176.94 1cct h PRO 138 N 4.55 0.00 0.00 2.91 0.13 -1.85 -2.08 132.00 135.66 1cct h PRO 138 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cct h PRO 138 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1cct h PRO 138 CO 0.42 0.01 -0.09 -0.40 -0.23 0.00 0.00 178.00 177.71 1cct n ASP 139 N -4.33 2.22 0.04 1.44 5.75 -1.26 -4.35 116.55 116.06 1cct n ASP 139 Ca -0.03 -3.23 -0.02 0.00 -0.01 0.00 0.00 54.79 51.50 1cct n ASP 139 Cb 0.09 -0.45 0.23 0.00 -1.03 0.00 0.00 41.12 39.97 1cct n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cct h GLY 140 N 0.18 0.46 -2.61 6.12 0.00 -1.37 -3.43 103.07 102.43 1cct h GLY 140 Ca -0.00 -0.37 -0.46 0.00 0.00 0.00 0.00 47.33 46.51 1cct h GLY 140 CO 0.00 0.33 -0.74 1.08 0.00 0.00 0.00 176.54 177.22 1cct s LEU 141 N -8.64 2.55 -0.13 3.11 1.43 0.36 -1.09 118.68 116.26 1cct s LEU 141 Ca -0.06 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 1cct s LEU 141 Cb 0.14 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.71 1cct s LEU 141 CO 0.78 -0.15 0.05 0.00 0.23 0.00 0.00 176.35 177.26 1cct s ALA 142 N -2.88 0.60 -0.12 4.21 0.00 -0.48 -1.61 121.76 121.48 1cct s ALA 142 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1cct s ALA 142 Cb -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1cct s ALA 142 CO 0.07 -0.89 -0.11 0.08 0.00 0.00 0.00 175.76 174.91 1cct s VAL 143 N 2.03 3.25 -0.35 0.00 1.01 -0.87 -1.07 120.40 124.41 1cct s VAL 143 Ca 0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1cct s VAL 143 Cb -0.15 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1cct s VAL 143 CO -0.07 0.53 0.22 -0.22 0.00 0.00 0.00 175.10 175.56 1cct s LEU 144 N 0.14 4.52 -0.18 3.92 0.20 -0.31 -0.97 118.68 126.00 1cct s LEU 144 Ca -0.05 -0.60 -0.09 0.00 0.69 0.00 0.00 54.13 54.09 1cct s LEU 144 Cb -0.15 -2.09 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 1cct s LEU 144 CO 0.04 -0.27 0.11 -0.83 -0.29 0.00 0.00 176.35 175.11 1cct s GLY 145 N 1.66 2.02 -0.08 7.98 0.00 0.37 -1.34 107.32 117.93 1cct s GLY 145 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1cct s GLY 145 CO 0.09 0.01 -0.13 -0.42 0.00 0.00 0.00 173.10 172.65 1cct s ILE 146 N 0.09 1.21 0.28 0.90 1.01 0.61 -0.62 121.20 124.68 1cct s ILE 146 Ca 0.08 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 1cct s ILE 146 Cb -0.12 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.15 1cct s ILE 146 CO -0.00 0.38 0.78 -0.36 0.00 0.00 0.00 174.94 175.73 1cct s PHE 147 N 0.83 3.56 -0.11 3.97 0.08 -1.26 0.03 117.98 125.08 1cct s PHE 147 Ca -0.11 1.42 0.03 0.00 0.12 0.00 0.00 56.93 58.39 1cct s PHE 147 Cb -0.15 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1cct s PHE 147 CO 0.02 0.22 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.62 1cct s LEU 148 N -2.35 2.14 0.31 -0.37 1.02 -0.89 -0.66 118.68 117.89 1cct s LEU 148 Ca 0.48 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 54.18 1cct s LEU 148 Cb -0.15 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.58 1cct s LEU 148 CO 0.20 0.14 -0.05 -1.59 0.02 0.00 0.00 176.35 175.07 1cct s LYS 149 N 0.46 2.02 -0.17 1.70 -2.85 0.12 -2.48 119.74 118.54 1cct s LYS 149 Ca -0.16 -1.68 -0.13 0.00 -1.00 0.00 0.00 55.97 53.00 1cct s LYS 149 Cb -0.17 -1.93 -0.05 0.00 -2.06 0.00 0.00 37.83 33.62 1cct s LYS 149 CO 0.06 0.24 0.25 0.08 0.10 0.00 0.00 175.35 176.08 1cct s VAL 150 N -2.48 5.33 0.00 1.79 1.01 -1.26 -0.69 120.40 124.11 1cct s VAL 150 Ca 0.33 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1cct s VAL 150 Cb -0.03 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1cct s VAL 150 CO 0.18 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1cct n GLY 151 N 3.39 0.85 3.84 4.51 0.00 0.35 -4.89 105.19 113.24 1cct n GLY 151 Ca -0.13 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1cct n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cct s SER 152 N 2.00 6.32 0.80 1.61 0.01 -1.26 -3.73 113.70 119.45 1cct s SER 152 Ca 0.00 1.60 -0.13 0.00 1.31 0.00 0.00 55.95 58.73 1cct s SER 152 Cb 0.00 -2.51 0.08 0.00 0.21 0.00 0.00 66.02 63.80 1cct s SER 152 CO 0.00 -0.80 1.17 0.00 0.41 0.00 0.00 173.24 174.02 1cct s ALA 153 N -2.70 1.89 -0.40 1.44 0.00 -1.26 -2.32 121.76 118.40 1cct s ALA 153 Ca 0.59 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 1cct s ALA 153 Cb -0.12 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.67 1cct s ALA 153 CO 0.37 -2.20 0.17 0.21 0.00 0.00 0.00 175.76 174.31 1cct s LYS 154 N -4.29 1.86 0.17 0.00 2.47 -1.26 -4.76 119.74 113.93 1cct s LYS 154 Ca 0.70 -1.89 -0.26 0.00 -1.56 0.00 0.00 55.97 52.96 1cct s LYS 154 Cb -0.26 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1cct s LYS 154 CO 0.51 -1.04 1.57 -1.00 0.16 0.00 0.00 175.35 175.55 1cct h PRO 155 N 7.82 -0.23 0.00 4.03 0.13 -1.92 -1.40 132.00 140.43 1cct h PRO 155 Ca -0.09 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1cct h PRO 155 Cb 1.03 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1cct h PRO 155 CO 0.64 -0.15 0.26 0.78 -0.23 0.00 0.00 178.00 179.30 1cct h GLY 156 N -0.23 0.00 0.42 1.56 0.00 -1.95 -2.23 103.07 100.63 1cct h GLY 156 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1cct h GLY 156 CO -0.68 0.00 -0.81 -0.10 0.00 0.00 0.00 176.54 174.95 1cct n LEU 157 N -2.69 0.78 -0.31 3.11 7.94 -0.53 -4.54 117.00 120.75 1cct n LEU 157 Ca -0.02 -0.28 -0.02 0.00 -1.11 0.00 0.00 56.01 54.58 1cct n LEU 157 Cb 0.30 -0.10 0.14 0.00 0.53 0.00 0.00 43.42 44.29 1cct n LEU 157 CO 0.12 0.19 1.23 -0.61 -1.11 0.00 0.00 177.39 177.22 1cct h GLN 158 N 0.00 1.20 -0.94 1.96 5.75 -1.38 -2.28 115.11 119.43 1cct h GLN 158 Ca 0.00 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1cct h GLN 158 Cb 0.51 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 1cct h GLN 158 CO 0.00 0.83 0.60 0.87 -2.65 0.00 0.00 178.83 178.49 1cct h LYS 159 N 1.23 0.96 -0.11 1.69 1.57 -1.81 0.21 116.57 120.31 1cct h LYS 159 Ca 0.32 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1cct h LYS 159 Cb -0.07 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 1cct h LYS 159 CO -0.06 0.63 -0.08 0.28 -0.57 0.00 0.00 179.45 179.65 1cct h VAL 160 N 0.99 1.34 -0.46 0.50 2.07 -1.72 -3.05 116.25 115.91 1cct h VAL 160 Ca 0.43 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1cct h VAL 160 Cb 0.34 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1cct h VAL 160 CO -0.19 0.33 0.24 0.58 0.02 0.00 0.00 177.57 178.55 1cct h VAL 161 N -0.14 0.98 0.00 2.57 2.07 -0.99 -2.59 116.25 118.15 1cct h VAL 161 Ca 0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1cct h VAL 161 Cb 0.56 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1cct h VAL 161 CO 0.02 0.09 -0.02 0.44 0.02 0.00 0.00 177.57 178.12 1cct h ASP 162 N 0.47 0.00 0.15 0.57 3.32 -0.99 -2.77 116.42 117.17 1cct h ASP 162 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1cct h ASP 162 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1cct h ASP 162 CO -0.13 0.02 -0.69 0.55 -1.72 0.00 0.00 179.24 177.27 1cct n VAL 163 N -3.26 0.00 -0.32 -1.35 3.14 -0.98 -4.50 118.33 111.05 1cct n VAL 163 Ca -0.02 -0.06 0.09 0.00 -2.96 0.00 0.00 64.34 61.39 1cct n VAL 163 Cb 0.15 0.79 0.30 0.00 -1.06 0.00 0.00 33.84 34.02 1cct n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cct h LEU 164 N 0.60 0.81 -1.55 6.55 3.38 -1.40 -1.73 115.31 121.98 1cct h LEU 164 Ca 0.00 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.25 1cct h LEU 164 Cb 0.55 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1cct h LEU 164 CO 0.00 0.42 0.63 0.44 0.09 0.00 0.00 178.44 180.02 1cct h ASP 165 N 0.86 0.36 1.04 -0.43 3.32 -1.79 -0.87 116.42 118.91 1cct h ASP 165 Ca 0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1cct h ASP 165 Cb 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1cct h ASP 165 CO -0.25 0.12 0.00 -1.20 -1.72 0.00 0.00 179.24 176.19 1cct n SER 166 N -4.50 0.17 -2.44 6.45 7.64 -0.65 -3.92 113.62 116.38 1cct n SER 166 Ca 0.21 0.52 -0.10 0.00 1.01 0.00 0.00 58.87 60.51 1cct n SER 166 Cb 0.79 -0.56 0.04 0.00 -1.01 0.00 0.00 64.21 63.47 1cct n SER 166 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1cct n ILE 167 N -1.66 1.78 -0.36 0.44 -5.35 -0.35 -4.68 119.36 109.18 1cct n ILE 167 Ca 0.06 -3.42 0.06 0.00 -0.27 0.00 0.00 62.75 59.18 1cct n ILE 167 Cb 0.34 0.26 0.22 0.00 -1.74 0.00 0.00 39.64 38.73 1cct n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cct h LYS 168 N 2.37 0.99 -6.35 6.28 3.64 -1.63 -3.42 116.57 118.46 1cct h LYS 168 Ca 0.07 -0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.77 1cct h LYS 168 Cb 1.39 -0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 1cct h LYS 168 CO 0.42 0.66 -0.66 0.95 -2.27 0.00 0.00 179.45 178.54 1cct s THR 169 N -5.98 3.85 -0.17 1.00 -4.23 -1.26 -0.17 115.64 108.68 1cct s THR 169 Ca -0.12 -1.24 -0.39 0.00 -1.18 0.00 0.00 61.69 58.75 1cct s THR 169 Cb 0.22 -2.89 -0.16 0.00 1.34 0.00 0.00 72.50 71.00 1cct s THR 169 CO 0.81 -0.02 1.59 1.17 -0.54 0.00 0.00 174.62 177.63 1cct n LYS 170 N 0.15 1.07 0.00 3.99 4.81 -0.69 -1.98 118.16 125.51 1cct n LYS 170 Ca -0.10 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1cct n LYS 170 Cb 0.54 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1cct n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cct n GLY 171 N 3.58 3.19 3.77 3.14 0.00 0.25 -4.51 105.19 114.61 1cct n GLY 171 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1cct n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cct s LYS 172 N -0.73 3.47 0.03 1.61 -0.14 -0.84 -4.86 119.74 118.28 1cct s LYS 172 Ca 0.00 1.64 -0.14 0.00 -1.36 0.00 0.00 55.97 56.11 1cct s LYS 172 Cb 0.00 -2.11 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1cct s LYS 172 CO 0.00 -0.76 0.31 -1.54 -0.76 0.00 0.00 175.35 172.60 1cct s SER 173 N -1.68 -0.15 -0.08 2.83 1.04 -1.26 -1.08 113.70 113.31 1cct s SER 173 Ca 0.70 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 1cct s SER 173 Cb -0.25 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1cct s SER 173 CO 0.28 -0.58 0.20 0.00 0.98 0.00 0.00 173.24 174.13 1cct s ALA 174 N -2.26 -0.47 0.25 5.32 0.00 0.92 -4.94 121.76 120.57 1cct s ALA 174 Ca -0.07 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1cct s ALA 174 Cb -0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 23.12 22.50 1cct s ALA 174 CO -0.01 -0.14 1.19 -0.25 0.00 0.00 0.00 175.76 176.55 1cct n ASP 175 N 3.64 1.88 -3.02 0.00 8.00 -1.26 -1.37 116.55 124.41 1cct n ASP 175 Ca -0.20 1.16 -0.14 0.00 0.71 0.00 0.00 54.79 56.33 1cct n ASP 175 Cb 0.55 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 1cct n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1cct n PHE 176 N 1.05 -2.54 -3.45 1.24 7.35 0.86 -4.76 117.46 117.22 1cct n PHE 176 Ca 0.11 -2.24 -0.19 0.00 -0.76 0.00 0.00 57.45 54.37 1cct n PHE 176 Cb 0.30 0.94 -0.00 0.00 0.35 0.00 0.00 39.48 41.07 1cct n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cct s THR 177 N 0.44 4.08 -1.38 -2.13 -4.23 -1.26 -2.53 115.64 108.63 1cct s THR 177 Ca 0.32 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1cct s THR 177 Cb 0.04 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.47 1cct s THR 177 CO -0.12 -0.17 0.60 0.59 -0.54 0.00 0.00 174.62 174.98 1cct n ASN 178 N -1.66 -5.71 -4.60 3.99 4.13 -1.25 -4.93 115.26 105.23 1cct n ASN 178 Ca -0.00 -0.28 -0.35 0.00 1.68 0.00 0.00 54.58 55.63 1cct n ASN 178 Cb 0.58 -4.52 -0.10 0.00 -1.54 0.00 0.00 39.78 34.20 1cct n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cct s PHE 179 N -3.13 3.22 -0.29 3.10 5.36 -1.26 -5.02 117.98 119.95 1cct s PHE 179 Ca 0.30 -0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 56.17 1cct s PHE 179 Cb -0.13 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.43 1cct s PHE 179 CO 0.37 0.06 0.13 0.34 -1.46 0.00 0.00 175.22 174.66 1cct s ASP 180 N 0.60 5.45 0.59 6.13 -1.08 -1.26 -4.43 116.67 122.66 1cct s ASP 180 Ca 0.03 -0.43 0.35 0.00 -0.52 0.00 0.00 52.55 51.99 1cct s ASP 180 Cb -0.13 -1.98 1.80 0.00 -1.46 0.00 0.00 42.92 41.15 1cct s ASP 180 CO 0.01 -0.15 2.17 1.55 0.52 0.00 0.00 175.17 179.28 1cct h PRO 181 N 8.32 0.00 -0.02 4.34 0.13 -1.97 -2.65 132.00 140.15 1cct h PRO 181 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1cct h PRO 181 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1cct h PRO 181 CO 0.60 0.04 0.20 0.00 -0.23 0.00 0.00 178.00 178.61 1cct h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 0.11 114.38 116.50 1cct h ARG 182 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cct h ARG 182 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1cct h ARG 182 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1cct n GLY 183 N -1.18 -1.16 0.58 0.04 0.00 -1.00 -3.33 105.19 99.14 1cct n GLY 183 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1cct n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cct n LEU 184 N -1.33 2.21 -4.84 0.99 4.77 0.37 -4.32 117.00 114.86 1cct n LEU 184 Ca 0.10 -1.01 -0.36 0.00 -0.03 0.00 0.00 56.01 54.71 1cct n LEU 184 Cb 0.22 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1cct n LEU 184 CO 0.20 0.40 0.26 -0.76 -1.33 0.00 0.00 177.39 176.16 1cct s LEU 185 N -1.20 4.37 0.98 2.23 1.43 -1.21 -4.95 118.68 120.33 1cct s LEU 185 Ca 0.17 1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 54.29 1cct s LEU 185 Cb 0.12 -3.23 0.18 0.00 0.03 0.00 0.00 46.19 43.28 1cct s LEU 185 CO 0.18 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.84 1cct s PRO 186 N -1.81 0.58 0.13 1.29 0.04 -1.26 -4.98 135.00 128.98 1cct s PRO 186 Ca 0.37 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.66 1cct s PRO 186 Cb -0.16 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1cct s PRO 186 CO 0.19 -2.60 1.48 1.49 0.04 0.00 0.00 177.00 177.61 1cct h GLU 187 N -1.79 0.84 -5.99 4.56 4.81 -1.93 -3.44 114.58 111.64 1cct h GLU 187 Ca -0.53 -0.40 -0.61 0.00 -0.13 0.00 0.00 59.36 57.69 1cct h GLU 187 Cb 1.33 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1cct h GLU 187 CO 0.59 1.03 -0.34 0.45 -0.73 0.00 0.00 179.01 180.01 1cct s SER 188 N -6.61 6.53 -0.14 1.04 0.15 -1.26 -5.00 113.70 108.41 1cct s SER 188 Ca -0.12 0.62 0.15 0.00 0.70 0.00 0.00 55.95 57.30 1cct s SER 188 Cb 0.10 -2.11 0.54 0.00 -1.71 0.00 0.00 66.02 62.84 1cct s SER 188 CO 0.85 0.21 1.45 0.18 1.20 0.00 0.00 173.24 177.13 1cct n LEU 189 N 0.93 4.01 -4.76 3.45 4.77 -1.26 -4.74 117.00 119.40 1cct n LEU 189 Ca -0.09 -2.73 -0.41 0.00 -0.03 0.00 0.00 56.01 52.75 1cct n LEU 189 Cb 0.52 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1cct n LEU 189 CO 0.43 0.70 1.12 -1.81 -1.33 0.00 0.00 177.39 176.49 1cct s ASP 190 N -1.49 6.51 0.21 -1.43 1.01 -1.26 -4.75 116.67 115.48 1cct s ASP 190 Ca 0.41 2.86 -0.07 0.00 0.71 0.00 0.00 52.55 56.46 1cct s ASP 190 Cb 0.30 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1cct s ASP 190 CO 0.13 -0.77 0.30 -0.72 0.21 0.00 0.00 175.17 174.32 1cct s TYR 191 N -0.60 0.71 0.06 4.23 1.13 -1.26 -1.19 117.35 120.42 1cct s TYR 191 Ca 0.56 -1.01 0.09 0.00 -1.41 0.00 0.00 57.07 55.29 1cct s TYR 191 Cb -0.44 -0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 1cct s TYR 191 CO 0.53 -0.80 -0.22 -1.58 -2.51 0.00 0.00 175.55 170.97 1cct s TRP 192 N -4.07 2.44 -0.01 -3.49 0.51 -0.20 -1.29 118.94 112.82 1cct s TRP 192 Ca 0.28 -0.33 -0.03 0.00 -2.12 0.00 0.00 56.10 53.91 1cct s TRP 192 Cb 0.03 -1.39 0.00 0.00 -0.81 0.00 0.00 33.47 31.30 1cct s TRP 192 CO 0.09 0.24 0.07 -0.08 -0.51 0.00 0.00 176.95 176.76 1cct s THR 193 N -0.93 0.04 0.11 2.01 -1.32 -0.39 -1.20 115.64 113.96 1cct s THR 193 Ca 0.14 -0.34 -0.25 0.00 -1.21 0.00 0.00 61.69 60.03 1cct s THR 193 Cb -0.10 -0.22 0.08 0.00 -1.51 0.00 0.00 72.50 70.74 1cct s THR 193 CO 0.05 -0.19 0.68 -0.72 -2.21 0.00 0.00 174.62 172.23 1cct s TYR 194 N -0.58 -0.49 -0.17 9.09 1.13 -1.05 -1.88 117.35 123.41 1cct s TYR 194 Ca -0.07 0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.68 1cct s TYR 194 Cb -0.04 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1cct s TYR 194 CO 0.00 -0.76 0.71 -1.25 -2.51 0.00 0.00 175.55 171.74 1cct s PRO 195 N -3.52 4.27 0.00 -3.49 0.04 -1.26 -1.17 135.00 129.87 1cct s PRO 195 Ca 0.02 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1cct s PRO 195 Cb -0.01 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1cct s PRO 195 CO -0.11 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1cct n GLY 196 N 3.58 5.27 2.84 0.56 0.00 0.19 -4.84 105.19 112.79 1cct n GLY 196 Ca 0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1cct n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cct n SER 197 N 0.00 -0.24 -4.76 1.61 3.41 -0.85 -2.53 113.62 110.26 1cct n SER 197 Ca 0.00 -2.92 -0.39 0.00 -0.26 0.00 0.00 58.87 55.30 1cct n SER 197 Cb 0.00 1.35 0.01 0.00 -0.26 0.00 0.00 64.21 65.31 1cct n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cct s LEU 198 N 0.00 4.08 0.00 1.04 1.43 -0.14 -4.53 118.68 120.56 1cct s LEU 198 Ca 0.31 2.65 0.27 0.00 -1.03 0.00 0.00 54.13 56.33 1cct s LEU 198 Cb 0.02 -4.06 0.81 0.00 0.03 0.00 0.00 46.19 42.98 1cct s LEU 198 CO 0.22 -1.07 1.60 -1.84 0.23 0.00 0.00 176.35 175.49 1cct n GLU 199 N -0.30 1.26 -4.19 1.70 0.00 -1.26 -4.44 120.64 113.42 1cct n GLU 199 Ca 0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 57.16 56.27 1cct n GLU 199 Cb 0.45 -1.48 -0.11 0.00 0.00 0.00 0.00 31.44 30.29 1cct n GLU 199 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1cct s THR 200 N -2.27 1.12 0.32 3.84 -4.23 -1.26 -4.80 115.64 108.35 1cct s THR 200 Ca 0.30 -1.48 -0.27 0.00 -1.18 0.00 0.00 61.69 59.05 1cct s THR 200 Cb 0.20 -1.24 -0.13 0.00 1.34 0.00 0.00 72.50 72.67 1cct s THR 200 CO 0.44 -0.35 1.07 -2.65 -0.54 0.00 0.00 174.62 172.58 1cct n PRO 201 N 0.93 1.52 0.00 3.99 -0.02 -1.26 0.15 135.00 140.31 1cct n PRO 201 Ca -0.19 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1cct n PRO 201 Cb 0.56 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1cct n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cct n PRO 202 N 0.60 0.97 -4.08 0.52 -0.04 -1.26 -4.99 135.00 126.70 1cct n PRO 202 Ca 0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 1cct n PRO 202 Cb 0.34 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1cct n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cct n LEU 203 N -0.20 -0.67 -4.74 1.53 4.77 0.12 -4.89 117.00 112.92 1cct n LEU 203 Ca 0.00 -0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 54.62 1cct n LEU 203 Cb 0.14 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 39.79 1cct n LEU 203 CO 0.00 0.08 1.14 -0.76 -1.33 0.00 0.00 177.39 176.52 1cct s LEU 204 N -6.56 4.38 -1.43 2.23 1.43 -1.26 -4.40 118.68 113.06 1cct s LEU 204 Ca 0.68 2.73 -0.11 0.00 -1.03 0.00 0.00 54.13 56.40 1cct s LEU 204 Cb -0.40 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.26 1cct s LEU 204 CO 0.83 -0.76 2.31 -0.62 0.23 0.00 0.00 176.35 178.34 1cct n GLU 205 N 2.40 3.46 0.00 1.70 1.02 -1.26 -0.96 120.64 126.99 1cct n GLU 205 Ca 0.07 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.34 1cct n GLU 205 Cb 0.39 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 1cct n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cct s VAL 207 N -0.42 4.47 -0.40 0.00 1.01 -1.05 -0.49 120.40 123.52 1cct s VAL 207 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1cct s VAL 207 Cb 0.00 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1cct s VAL 207 CO 0.00 0.58 0.22 -0.89 0.00 0.00 0.00 175.10 175.01 1cct s THR 208 N -0.93 4.00 0.12 3.92 2.01 -0.63 0.56 115.64 124.68 1cct s THR 208 Ca 0.14 -1.45 -0.25 0.00 0.31 0.00 0.00 61.69 60.45 1cct s THR 208 Cb -0.11 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1cct s THR 208 CO 0.04 -0.47 0.76 0.26 -0.69 0.00 0.00 174.62 174.52 1cct s TRP 209 N 1.38 3.85 -0.32 4.92 0.52 -0.31 -2.05 118.94 126.93 1cct s TRP 209 Ca 0.03 1.57 -0.01 0.00 0.02 0.00 0.00 56.10 57.70 1cct s TRP 209 Cb -0.22 -2.77 0.10 0.00 -1.15 0.00 0.00 33.47 29.43 1cct s TRP 209 CO 0.01 0.44 0.12 0.42 0.02 0.00 0.00 176.95 177.96 1cct s ILE 210 N -0.79 0.65 -0.26 2.03 1.01 -0.14 -2.51 121.20 121.19 1cct s ILE 210 Ca 0.36 -1.34 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 1cct s ILE 210 Cb -0.22 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1cct s ILE 210 CO 0.25 -0.72 0.11 -0.69 0.00 0.00 0.00 174.94 173.89 1cct s VAL 211 N 1.62 4.64 0.35 2.92 1.01 -0.34 0.14 120.40 130.74 1cct s VAL 211 Ca 0.11 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1cct s VAL 211 Cb -0.18 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 1cct s VAL 211 CO -0.25 0.32 1.15 -0.76 0.00 0.00 0.00 175.10 175.55 1cct s LEU 212 N 1.61 4.35 0.01 3.92 1.43 0.21 -1.04 118.68 129.18 1cct s LEU 212 Ca 0.06 2.33 -0.25 0.00 -1.03 0.00 0.00 54.13 55.24 1cct s LEU 212 Cb -0.15 -3.85 -0.19 0.00 0.03 0.00 0.00 46.19 42.03 1cct s LEU 212 CO 0.06 -0.44 1.42 0.50 0.23 0.00 0.00 176.35 178.12 1cct h LYS 213 N 3.15 0.00 -5.98 1.70 3.64 -1.49 -3.44 116.57 114.15 1cct h LYS 213 Ca -0.48 -0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.31 1cct h LYS 213 Cb 1.22 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1cct h LYS 213 CO 0.64 0.33 0.59 -2.00 -2.27 0.00 0.00 179.45 176.74 1cct s GLU 214 N -4.88 4.03 0.62 1.90 2.12 -1.26 -5.01 118.70 116.22 1cct s GLU 214 Ca -0.15 0.83 -0.11 0.00 0.36 0.00 0.00 54.97 55.90 1cct s GLU 214 Cb 0.03 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1cct s GLU 214 CO 0.67 -0.75 1.03 -1.25 -0.54 0.00 0.00 175.26 174.42 1cct s PRO 215 N 3.21 3.56 0.12 4.30 0.04 -1.26 -4.69 135.00 140.28 1cct s PRO 215 Ca 0.38 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.18 1cct s PRO 215 Cb -0.14 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1cct s PRO 215 CO 0.13 -0.58 0.08 0.96 0.04 0.00 0.00 177.00 177.62 1cct s ILE 216 N -3.18 4.38 -0.01 0.56 -4.36 0.17 -4.93 121.20 113.84 1cct s ILE 216 Ca 0.55 -0.96 0.02 0.00 -0.26 0.00 0.00 60.65 60.00 1cct s ILE 216 Cb -0.11 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1cct s ILE 216 CO 0.54 0.02 -0.04 -0.94 0.24 0.00 0.00 174.94 174.76 1cct s SER 217 N -2.67 4.82 0.09 4.36 1.04 -1.26 0.12 113.70 120.19 1cct s SER 217 Ca 0.29 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.69 1cct s SER 217 Cb -0.11 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.79 1cct s SER 217 CO 0.22 0.29 -0.12 0.68 0.98 0.00 0.00 173.24 175.29 1cct s VAL 218 N -1.01 1.01 0.57 5.02 -7.23 0.14 -4.00 120.40 114.89 1cct s VAL 218 Ca 0.17 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.75 1cct s VAL 218 Cb -0.11 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1cct s VAL 218 CO 0.08 -0.40 0.99 -0.94 -0.31 0.00 0.00 175.10 174.51 1cct s SER 219 N -2.10 6.38 0.39 4.85 1.04 -1.10 -0.49 113.70 122.68 1cct s SER 219 Ca 0.01 1.43 0.08 0.00 0.48 0.00 0.00 55.95 57.95 1cct s SER 219 Cb -0.06 -2.46 0.83 0.00 0.10 0.00 0.00 66.02 64.42 1cct s SER 219 CO 0.01 -0.73 1.99 -1.28 0.98 0.00 0.00 173.24 174.21 1cct h SER 220 N 0.22 0.55 0.82 7.02 0.87 -1.93 -1.87 113.55 119.22 1cct h SER 220 Ca -0.45 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.02 1cct h SER 220 Cb 1.19 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1cct h SER 220 CO 0.62 0.36 -0.42 1.05 -0.53 0.00 0.00 176.83 177.92 1cct h GLU 221 N 0.63 0.00 0.32 2.24 9.09 -1.95 0.78 114.58 125.69 1cct h GLU 221 Ca 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.65 1cct h GLU 221 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1cct h GLU 221 CO -0.07 0.42 -0.16 1.96 0.05 0.00 0.00 179.01 181.21 1cct h GLN 222 N 0.00 -0.42 -0.69 1.06 4.20 -1.74 -2.81 115.11 114.71 1cct h GLN 222 Ca -0.00 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1cct h GLN 222 Cb 0.94 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1cct h GLN 222 CO 0.05 -0.09 0.41 -0.24 -0.67 0.00 0.00 178.83 178.29 1cct h VAL 223 N -0.86 1.20 -0.68 -0.54 3.04 -1.35 -2.45 116.25 114.61 1cct h VAL 223 Ca -0.04 -0.45 0.04 0.00 -1.01 0.00 0.00 66.70 65.24 1cct h VAL 223 Cb 0.52 0.23 -0.05 0.00 -2.01 0.00 0.00 31.29 29.99 1cct h VAL 223 CO 0.07 0.21 0.41 -0.07 -1.01 0.00 0.00 177.57 177.18 1cct h LEU 224 N 0.95 0.66 -1.77 3.16 3.38 -0.81 -1.11 115.31 119.77 1cct h LEU 224 Ca 0.25 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.33 1cct h LEU 224 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1cct h LEU 224 CO -0.05 0.44 0.35 0.11 0.09 0.00 0.00 178.44 179.39 1cct h LYS 225 N 0.79 0.25 -0.65 1.13 1.57 -1.17 -2.57 116.57 115.93 1cct h LYS 225 Ca 0.28 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1cct h LYS 225 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1cct h LYS 225 CO -0.13 0.17 0.22 0.74 -0.57 0.00 0.00 179.45 179.88 1cct h PHE 226 N 0.26 1.03 0.00 -1.35 -1.00 -1.15 -3.00 116.94 111.73 1cct h PHE 226 Ca 0.24 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1cct h PHE 226 Cb 0.58 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1cct h PHE 226 CO -0.00 0.82 0.00 0.54 -1.61 0.00 0.00 178.31 178.06 1cct n ARG 227 N -4.37 0.11 0.00 1.51 1.74 -0.97 -2.62 116.66 112.06 1cct n ARG 227 Ca 0.04 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1cct n ARG 227 Cb 0.20 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.37 1cct n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cct n LYS 228 N -1.35 1.28 -1.66 5.56 5.02 -1.13 -4.41 118.16 121.47 1cct n LYS 228 Ca 0.05 -0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 55.11 1cct n LYS 228 Cb 0.10 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1cct n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cct s LEU 229 N -2.36 2.74 -0.02 -0.35 1.02 -1.08 -4.88 118.68 113.76 1cct s LEU 229 Ca 0.25 1.28 0.07 0.00 0.02 0.00 0.00 54.13 55.75 1cct s LEU 229 Cb 0.19 -3.98 -0.02 0.00 0.02 0.00 0.00 46.19 42.40 1cct s LEU 229 CO 0.48 -1.72 -0.24 0.20 0.02 0.00 0.00 176.35 175.09 1cct s ASN 230 N -4.03 2.85 -0.00 2.29 0.02 0.76 0.64 114.94 117.47 1cct s ASN 230 Ca 0.60 -0.44 -0.21 0.00 -1.02 0.00 0.00 52.86 51.79 1cct s ASN 230 Cb -0.13 -0.35 -0.22 0.00 0.02 0.00 0.00 41.25 40.57 1cct s ASN 230 CO 0.54 0.29 1.12 -0.26 0.02 0.00 0.00 177.10 178.81 1cct h PHE 231 N 5.57 0.49 -4.28 2.20 0.04 -1.37 -3.33 116.94 116.27 1cct h PHE 231 Ca -0.41 -0.25 -0.52 0.00 2.80 0.00 0.00 57.97 59.60 1cct h PHE 231 Cb 1.13 -0.07 0.14 0.00 2.20 0.00 0.00 35.95 39.35 1cct h PHE 231 CO 0.39 1.03 0.32 0.54 -0.60 0.00 0.00 178.31 179.99 1cct s ASN 232 N -6.54 4.30 0.53 2.17 4.22 -1.26 -4.29 114.94 114.07 1cct s ASN 232 Ca -0.14 1.96 -0.07 0.00 -2.14 0.00 0.00 52.86 52.47 1cct s ASN 232 Cb 0.03 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 39.99 1cct s ASN 232 CO 0.79 -2.18 0.86 -0.83 -2.04 0.00 0.00 177.10 173.71 1cct s GLY 233 N -3.02 1.55 0.06 0.45 0.00 -1.26 -1.70 107.32 103.39 1cct s GLY 233 Ca 0.64 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 1cct s GLY 233 CO 0.53 -0.19 1.90 -2.21 0.00 0.00 0.00 173.10 173.12 1cct n GLU 234 N -2.43 2.72 -0.01 2.90 2.13 -1.26 -2.08 120.64 122.61 1cct n GLU 234 Ca 0.02 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1cct n GLU 234 Cb 0.55 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.35 1cct n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cct n GLY 235 N 4.37 0.89 3.52 8.31 0.00 -1.26 -5.08 105.19 115.94 1cct n GLY 235 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1cct n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cct s GLU 236 N -0.99 1.86 0.29 1.61 2.02 -0.88 -5.08 118.70 117.52 1cct s GLU 236 Ca 0.00 -1.58 -0.28 0.00 0.02 0.00 0.00 54.97 53.12 1cct s GLU 236 Cb 0.00 -1.93 -0.14 0.00 0.10 0.00 0.00 34.13 32.16 1cct s GLU 236 CO 0.00 0.36 1.09 -2.30 0.02 0.00 0.00 175.26 174.43 1cct n PRO 237 N -0.48 1.52 -2.72 0.39 -0.02 -1.26 -4.88 135.00 127.54 1cct n PRO 237 Ca -0.07 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1cct n PRO 237 Cb 0.59 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1cct n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cct s GLU 238 N -1.48 4.30 -0.32 -0.52 2.12 -1.26 -4.77 118.70 116.77 1cct s GLU 238 Ca 0.59 1.28 0.02 0.00 0.36 0.00 0.00 54.97 57.22 1cct s GLU 238 Cb -0.68 -3.61 0.08 0.00 0.26 0.00 0.00 34.13 30.18 1cct s GLU 238 CO 0.59 -0.50 0.02 -2.00 -0.54 0.00 0.00 175.26 172.83 1cct s GLU 239 N 2.72 1.96 0.39 4.30 2.12 -1.26 -5.06 118.70 123.85 1cct s GLU 239 Ca 0.43 -1.60 -0.27 0.00 0.36 0.00 0.00 54.97 53.89 1cct s GLU 239 Cb -0.16 -3.16 -0.10 0.00 0.26 0.00 0.00 34.13 30.96 1cct s GLU 239 CO 0.10 -0.79 1.44 -0.51 -0.54 0.00 0.00 175.26 174.96 1cct s LEU 240 N 1.06 4.29 -0.68 2.70 1.43 -1.26 -1.09 118.68 125.13 1cct s LEU 240 Ca 0.02 2.95 -0.24 0.00 -1.03 0.00 0.00 54.13 55.83 1cct s LEU 240 Cb -0.20 -3.73 0.06 0.00 0.03 0.00 0.00 46.19 42.35 1cct s LEU 240 CO -0.05 -0.88 1.05 -0.32 0.23 0.00 0.00 176.35 176.37 1cct s MET 241 N -2.13 3.14 0.06 1.70 -2.45 0.21 -4.64 119.30 115.18 1cct s MET 241 Ca 0.54 -0.65 -0.07 0.00 -1.25 0.00 0.00 55.69 54.25 1cct s MET 241 Cb -0.44 -4.21 -0.01 0.00 1.25 0.00 0.00 34.83 31.42 1cct s MET 241 CO 0.59 -1.89 0.15 0.14 1.05 0.00 0.00 175.02 175.06 1cct s VAL 242 N 4.51 0.14 -1.35 10.11 -7.23 -1.26 -4.40 120.40 120.90 1cct s VAL 242 Ca 0.26 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1cct s VAL 242 Cb -0.14 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1cct s VAL 242 CO 0.12 -0.62 0.50 0.47 -0.31 0.00 0.00 175.10 175.25 1cct n ASP 243 N 0.40 -1.16 -2.78 4.85 8.00 -0.61 -4.86 116.55 120.39 1cct n ASP 243 Ca -0.17 -1.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.95 1cct n ASP 243 Cb 0.60 -3.15 0.04 0.00 -0.02 0.00 0.00 41.12 38.59 1cct n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cct n ASN 244 N -2.93 7.31 -4.21 -2.24 6.94 -1.15 -4.89 115.26 114.09 1cct n ASN 244 Ca -0.28 -3.82 -0.24 0.00 -0.02 0.00 0.00 54.58 50.22 1cct n ASN 244 Cb 0.67 -1.00 -0.14 0.00 -2.36 0.00 0.00 39.78 36.95 1cct n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cct s TRP 245 N -3.99 1.62 -0.04 -2.53 1.48 -1.26 -4.61 118.94 109.60 1cct s TRP 245 Ca 0.54 -0.35 -0.14 0.00 -1.06 0.00 0.00 56.10 55.08 1cct s TRP 245 Cb 0.45 -0.98 -0.05 0.00 -1.16 0.00 0.00 33.47 31.72 1cct s TRP 245 CO -0.33 0.05 0.37 0.50 -4.06 0.00 0.00 176.95 173.48 1cct s ARG 246 N -1.00 3.95 0.53 3.25 3.52 -1.26 -5.00 118.95 122.94 1cct s ARG 246 Ca 0.06 0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.78 1cct s ARG 246 Cb -0.08 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 29.99 1cct s ARG 246 CO 0.01 0.60 1.14 -2.14 -0.81 0.00 0.00 175.30 174.10 1cct s PRO 247 N -0.74 3.42 0.39 5.12 0.02 -1.26 -4.67 135.00 137.28 1cct s PRO 247 Ca 0.22 1.65 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 1cct s PRO 247 Cb -0.16 -2.08 -0.11 0.00 0.02 0.00 0.00 34.50 32.18 1cct s PRO 247 CO 0.11 -0.81 1.41 0.00 -0.33 0.00 0.00 177.00 177.38 1cct n ALA 248 N -1.16 1.94 -2.32 -1.55 0.00 -1.26 -4.43 120.51 111.72 1cct n ALA 248 Ca 0.11 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1cct n ALA 248 Cb 0.50 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1cct n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1cct s GLN 249 N -2.13 2.81 0.18 0.00 -1.52 0.10 -4.93 119.66 114.18 1cct s GLN 249 Ca 0.56 -1.26 -0.32 0.00 -1.95 0.00 0.00 55.36 52.40 1cct s GLN 249 Cb -0.50 -2.61 -0.11 0.00 -0.22 0.00 0.00 33.01 29.58 1cct s GLN 249 CO 0.62 -0.06 1.60 -2.14 -0.25 0.00 0.00 175.29 175.06 1cct s PRO 250 N -4.15 4.19 0.28 2.91 0.02 -1.26 -4.56 135.00 132.43 1cct s PRO 250 Ca 0.47 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1cct s PRO 250 Cb -0.07 -3.13 0.42 0.00 0.02 0.00 0.00 34.50 31.74 1cct s PRO 250 CO 0.29 -0.63 1.80 1.25 -0.33 0.00 0.00 177.00 179.39 1cct h LEU 251 N 6.64 0.68 -3.27 -5.54 5.85 -1.95 -3.45 115.31 114.27 1cct h LEU 251 Ca -0.43 -0.15 -0.40 0.00 0.84 0.00 0.00 57.88 57.75 1cct h LEU 251 Cb 1.20 -0.18 0.05 0.00 0.37 0.00 0.00 40.66 42.10 1cct h LEU 251 CO 0.91 0.74 -0.84 0.29 -0.34 0.00 0.00 178.44 179.20 1cct n LYS 252 N -4.24 -1.20 0.00 1.25 5.02 -1.26 -3.34 118.16 114.38 1cct n LYS 252 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1cct n LYS 252 Cb 0.28 -3.85 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 1cct n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1cct n ASN 253 N -2.48 0.00 -4.29 4.39 2.04 -1.26 -5.00 115.26 108.65 1cct n ASN 253 Ca -0.13 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.65 1cct n ASN 253 Cb 0.60 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.90 1cct n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1cct n ARG 254 N 0.00 0.09 -5.11 -3.83 1.74 -1.21 -5.00 116.66 103.34 1cct n ARG 254 Ca 0.00 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 1cct n ARG 254 Cb 0.00 -1.42 -0.16 0.00 -1.02 0.00 0.00 32.46 29.85 1cct n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1cct s GLN 255 N -2.23 2.30 -0.22 5.56 0.74 -1.26 -5.02 119.66 119.53 1cct s GLN 255 Ca 0.56 -0.80 -0.11 0.00 0.05 0.00 0.00 55.36 55.06 1cct s GLN 255 Cb -0.33 -1.95 -0.05 0.00 1.10 0.00 0.00 33.01 31.78 1cct s GLN 255 CO 0.67 0.32 0.18 0.42 -0.55 0.00 0.00 175.29 176.33 1cct s ILE 256 N -0.07 5.36 0.16 -2.34 1.01 -1.26 -4.69 121.20 119.38 1cct s ILE 256 Ca -0.04 0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.92 1cct s ILE 256 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1cct s ILE 256 CO 0.03 0.37 0.05 -0.54 0.00 0.00 0.00 174.94 174.86 1cct s LYS 257 N 0.79 2.60 0.04 2.79 1.02 -0.78 -0.88 119.74 125.32 1cct s LYS 257 Ca 0.09 -1.00 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1cct s LYS 257 Cb -0.13 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1cct s LYS 257 CO 0.02 0.47 -0.21 0.00 -0.92 0.00 0.00 175.35 174.72 1cct s ALA 258 N -1.71 2.46 -1.81 5.17 0.00 0.20 -1.27 121.76 124.82 1cct s ALA 258 Ca 0.29 -1.21 0.17 0.00 0.00 0.00 0.00 51.96 51.20 1cct s ALA 258 Cb -0.10 -0.65 0.53 0.00 0.00 0.00 0.00 23.12 22.91 1cct s ALA 258 CO 0.20 0.56 1.44 -1.13 0.00 0.00 0.00 175.76 176.83 1cct n SER 259 N 1.68 3.33 0.00 0.00 3.41 -0.42 -1.53 113.62 120.09 1cct n SER 259 Ca -0.16 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1cct n SER 259 Cb 0.52 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1cct n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10