#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pee s ASP 1 N 0.00 2.24 0.60 6.12 1.01 -1.26 -4.46 116.67 120.92 1pee s ASP 1 Ca 0.00 -0.39 -0.19 0.00 0.71 0.00 0.00 52.55 52.68 1pee s ASP 1 Cb 0.00 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.88 1pee s ASP 1 CO 0.00 0.04 1.22 0.00 0.21 0.00 0.00 175.17 176.64 1pee n SER 3 N -1.24 2.73 -0.04 0.00 7.64 -1.26 -4.95 113.62 116.49 1pee n SER 3 Ca 0.13 1.12 -0.17 0.00 1.01 0.00 0.00 58.87 60.97 1pee n SER 3 Cb 0.46 -1.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.01 1pee n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pee n THR 4 N -0.15 1.64 -2.31 0.44 -2.24 -1.26 -4.57 114.28 105.82 1pee n THR 4 Ca 0.06 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1pee n THR 4 Cb 0.40 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1pee n THR 4 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pee n ASN 5 N -3.26 4.75 -3.82 3.42 4.05 -1.26 -4.85 115.26 114.29 1pee n ASN 5 Ca -0.33 -2.98 -0.27 0.00 0.45 0.00 0.00 54.58 51.45 1pee n ASN 5 Cb 1.05 -1.59 -0.17 0.00 1.23 0.00 0.00 39.78 40.30 1pee n ASN 5 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1pee s ILE 6 N 1.98 0.83 0.03 -1.44 -1.09 -1.26 -5.11 121.20 115.13 1pee s ILE 6 Ca 0.44 -0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1pee s ILE 6 Cb 0.08 -1.14 -0.00 0.00 -1.58 0.00 0.00 42.46 39.82 1pee s ILE 6 CO -0.01 -0.01 0.13 -0.94 -1.23 0.00 0.00 174.94 172.88 1pee s SER 7 N 1.74 0.10 0.40 3.58 1.04 -1.26 -5.11 113.70 114.18 1pee s SER 7 Ca -0.00 -0.39 -0.25 0.00 0.48 0.00 0.00 55.95 55.79 1pee s SER 7 Cb -0.16 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 1pee s SER 7 CO -0.07 -0.47 1.09 -2.16 0.98 0.00 0.00 173.24 172.61 1pee s PRO 8 N -2.18 4.13 0.06 4.02 0.04 -1.26 -4.82 135.00 134.99 1pee s PRO 8 Ca -0.08 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 1pee s PRO 8 Cb -0.03 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.83 1pee s PRO 8 CO -0.02 -0.20 1.34 0.21 0.04 0.00 0.00 177.00 178.37 1pee s LYS 9 N -2.38 4.34 0.30 4.56 2.20 -0.90 -4.90 119.74 122.95 1pee s LYS 9 Ca 0.57 1.95 -0.20 0.00 -0.36 0.00 0.00 55.97 57.93 1pee s LYS 9 Cb -0.26 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 1pee s LYS 9 CO 0.32 -0.44 0.82 -0.65 -0.36 0.00 0.00 175.35 175.04 1pee s GLN 10 N 1.56 4.28 0.00 4.03 -0.21 -1.26 -3.67 119.66 124.39 1pee s GLN 10 Ca 0.63 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.99 1pee s GLN 10 Cb -0.33 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.02 1pee s GLN 10 CO 0.28 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 1pee n GLY 11 N 0.25 0.71 3.76 3.09 0.00 -1.26 -5.05 105.19 106.68 1pee n GLY 11 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1pee n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pee s LEU 12 N 0.00 4.50 -0.50 0.99 1.43 -1.24 -5.00 118.68 118.87 1pee s LEU 12 Ca 0.00 2.26 -0.23 0.00 -1.03 0.00 0.00 54.13 55.12 1pee s LEU 12 Cb 0.00 -3.69 0.04 0.00 0.03 0.00 0.00 46.19 42.56 1pee s LEU 12 CO 0.00 -0.19 0.85 -0.62 0.23 0.00 0.00 176.35 176.62 1pee s ASP 13 N -0.95 6.37 0.59 2.29 2.15 -1.26 -4.95 116.67 120.92 1pee s ASP 13 Ca 0.46 -0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.49 1pee s ASP 13 Cb -0.31 -2.41 1.85 0.00 -0.30 0.00 0.00 42.92 41.75 1pee s ASP 13 CO 0.40 -1.06 2.26 0.07 -0.17 0.00 0.00 175.17 176.67 1pee h LYS 14 N 9.13 0.00 0.00 4.34 2.10 -1.99 0.09 116.57 130.23 1pee h LYS 14 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1pee h LYS 14 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1pee h LYS 14 CO 1.02 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.47 1pee h ALA 15 N 1.99 1.00 0.00 0.07 0.00 -1.92 -0.05 119.26 120.35 1pee h ALA 15 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1pee h ALA 15 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1pee h ALA 15 CO -0.00 0.00 -0.76 0.87 0.00 0.00 0.00 179.25 179.36 1pee h LYS 16 N 0.00 0.00 0.07 0.00 1.57 -1.32 -3.37 116.57 113.52 1pee h LYS 16 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1pee h LYS 16 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pee h LYS 16 CO 0.00 0.76 -0.91 -0.92 -0.57 0.00 0.00 179.45 177.81 1pee h TYR 17 N 0.00 0.26 -0.58 -1.35 3.20 -1.29 -3.39 116.97 113.82 1pee h TYR 17 Ca -0.01 -0.19 -0.73 0.00 3.14 0.00 0.00 58.73 60.94 1pee h TYR 17 Cb 1.47 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.64 1pee h TYR 17 CO 0.00 1.35 2.68 1.19 -1.64 0.00 0.00 178.16 181.74 1pee n PHE 18 N -4.24 3.26 -3.76 -3.82 3.72 -0.16 -4.84 117.46 107.63 1pee n PHE 18 Ca -0.20 -2.90 -0.13 0.00 -0.05 0.00 0.00 57.45 54.17 1pee n PHE 18 Cb 0.73 -2.30 -0.12 0.00 -0.94 0.00 0.00 39.48 36.85 1pee n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pee s SER 19 N 2.18 -0.25 0.93 4.37 0.15 -1.26 -4.80 113.70 115.02 1pee s SER 19 Ca 0.44 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1pee s SER 19 Cb 0.12 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1pee s SER 19 CO -0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1pee n GLY 20 N 3.66 1.01 3.44 9.45 0.00 -1.26 -4.71 105.19 116.78 1pee n GLY 20 Ca -0.20 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1pee n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pee s LYS 21 N 0.00 1.61 -0.02 1.61 -2.85 -1.26 -4.59 119.74 114.23 1pee s LYS 21 Ca 0.00 -1.73 0.03 0.00 -1.00 0.00 0.00 55.97 53.27 1pee s LYS 21 Cb 0.00 -1.63 -0.03 0.00 -2.06 0.00 0.00 37.83 34.11 1pee s LYS 21 CO 0.00 0.30 -0.09 -1.58 0.10 0.00 0.00 175.35 174.08 1pee s TRP 22 N -2.61 2.85 -0.08 1.78 0.52 -0.37 -4.26 118.94 116.77 1pee s TRP 22 Ca 0.28 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.40 1pee s TRP 22 Cb -0.04 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1pee s TRP 22 CO 0.13 0.32 -0.24 0.71 0.02 0.00 0.00 176.95 177.89 1pee s TYR 23 N -0.89 2.50 -0.21 -1.98 2.02 0.03 -1.93 117.35 116.89 1pee s TYR 23 Ca 0.15 -0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 1pee s TYR 23 Cb -0.11 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1pee s TYR 23 CO 0.04 -0.30 1.07 0.08 -1.57 0.00 0.00 175.55 174.88 1pee s VAL 24 N 0.05 4.63 -0.09 0.71 1.01 -0.51 -1.53 120.40 124.66 1pee s VAL 24 Ca -0.10 1.96 0.15 0.00 0.00 0.00 0.00 61.98 63.99 1pee s VAL 24 Cb -0.16 -4.26 -0.21 0.00 0.00 0.00 0.00 36.38 31.75 1pee s VAL 24 CO 0.06 -0.16 0.61 0.35 0.00 0.00 0.00 175.10 175.95 1pee n THR 25 N 5.28 1.41 -3.77 3.92 -2.24 -0.35 -4.69 114.28 113.84 1pee n THR 25 Ca 0.12 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1pee n THR 25 Cb 0.46 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 1pee n THR 25 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pee s HIS 26 N -2.70 -0.33 0.05 4.78 3.76 -1.24 -1.03 115.29 118.59 1pee s HIS 26 Ca -0.05 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.69 1pee s HIS 26 Cb 0.08 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.85 1pee s HIS 26 CO 0.82 -0.17 -0.12 -0.59 -0.85 0.00 0.00 174.74 173.84 1pee s PHE 27 N 0.33 1.00 -0.23 1.40 -0.12 -0.62 -1.62 117.98 118.11 1pee s PHE 27 Ca -0.01 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.43 1pee s PHE 27 Cb -0.03 -0.58 0.06 0.00 -0.63 0.00 0.00 43.02 41.84 1pee s PHE 27 CO -0.01 0.00 -0.08 -1.17 -0.05 0.00 0.00 175.22 173.91 1pee s LEU 28 N -1.55 2.73 -0.23 -1.99 0.20 -0.06 -0.53 118.68 117.25 1pee s LEU 28 Ca -0.04 -1.18 -0.03 0.00 0.69 0.00 0.00 54.13 53.57 1pee s LEU 28 Cb -0.09 -1.28 0.01 0.00 -0.43 0.00 0.00 46.19 44.39 1pee s LEU 28 CO 0.01 -0.21 -0.05 -0.62 -0.29 0.00 0.00 176.35 175.19 1pee s ASP 29 N 1.32 4.27 0.04 3.68 2.15 -1.26 -1.83 116.67 125.03 1pee s ASP 29 Ca -0.06 -0.64 -0.22 0.00 0.43 0.00 0.00 52.55 52.06 1pee s ASP 29 Cb -0.19 -1.70 -0.15 0.00 -0.30 0.00 0.00 42.92 40.59 1pee s ASP 29 CO -0.06 -0.08 1.42 0.50 -0.17 0.00 0.00 175.17 176.78 1pee h LYS 30 N 8.07 0.19 -1.38 4.34 3.64 -1.97 -3.40 116.57 126.06 1pee h LYS 30 Ca -0.38 -0.07 -0.44 0.00 -1.27 0.00 0.00 60.65 58.49 1pee h LYS 30 Cb 1.13 -0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.64 1pee h LYS 30 CO 0.60 0.49 -0.89 -3.47 -2.27 0.00 0.00 179.45 173.91 1pee n ASP 31 N -4.78 -0.94 -4.73 4.20 4.64 -1.26 -5.12 116.55 108.57 1pee n ASP 31 Ca -0.06 -2.86 -0.42 0.00 -1.38 0.00 0.00 54.79 50.06 1pee n ASP 31 Cb 0.23 0.20 -0.03 0.00 -1.04 0.00 0.00 41.12 40.49 1pee n ASP 31 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1pee s PRO 32 N -0.45 4.21 0.35 -0.67 0.04 -1.26 -4.90 135.00 132.31 1pee s PRO 32 Ca 0.34 2.40 0.23 0.00 0.04 0.00 0.00 61.00 64.01 1pee s PRO 32 Cb 0.17 -3.11 0.29 0.00 0.04 0.00 0.00 34.50 31.90 1pee s PRO 32 CO -0.16 -0.57 1.47 1.96 0.04 0.00 0.00 177.00 179.74 1pee h GLN 33 N 5.98 0.00 -6.08 4.56 4.20 -2.00 -3.46 115.11 118.31 1pee h GLN 33 Ca -0.44 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.67 1pee h GLN 33 Cb 1.21 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.87 1pee h GLN 33 CO 0.86 0.00 -0.67 0.14 -0.67 0.00 0.00 178.83 178.49 1pee s VAL 34 N -3.24 2.63 -1.02 -0.54 -7.23 -1.26 -5.04 120.40 104.69 1pee s VAL 34 Ca 0.05 -2.13 0.19 0.00 -1.81 0.00 0.00 61.98 58.28 1pee s VAL 34 Cb 0.07 -2.63 -0.17 0.00 0.56 0.00 0.00 36.38 34.20 1pee s VAL 34 CO 0.70 -0.28 0.82 0.35 -0.31 0.00 0.00 175.10 176.38 1pee n THR 35 N -0.82 0.00 -1.92 5.32 -2.24 -1.26 -4.93 114.28 108.43 1pee n THR 35 Ca -0.05 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1pee n THR 35 Cb 0.61 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 1pee n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pee s ASP 36 N -2.68 6.52 -0.10 3.42 -0.00 -1.26 -5.01 116.67 117.55 1pee s ASP 36 Ca 0.08 2.88 -0.04 0.00 -0.00 0.00 0.00 52.55 55.47 1pee s ASP 36 Cb 0.14 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.38 1pee s ASP 36 CO 0.73 -0.76 0.04 -1.10 -0.00 0.00 0.00 175.17 174.08 1pee s GLN 37 N -1.53 3.20 0.26 8.23 -0.21 -1.26 -5.01 119.66 123.35 1pee s GLN 37 Ca 0.54 -0.33 0.09 0.00 0.02 0.00 0.00 55.36 55.69 1pee s GLN 37 Cb -0.44 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1pee s GLN 37 CO 0.55 0.68 -0.00 0.71 -2.12 0.00 0.00 175.29 175.11 1pee s TYR 38 N -0.80 2.71 0.14 0.91 1.51 -1.26 -1.04 117.35 119.52 1pee s TYR 38 Ca 0.13 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1pee s TYR 38 Cb -0.12 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1pee s TYR 38 CO 0.03 0.61 0.09 0.00 -1.11 0.00 0.00 175.55 175.17 1pee s SER 40 N -2.84 -0.22 0.02 0.00 0.15 -1.26 -0.72 113.70 108.83 1pee s SER 40 Ca 0.30 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.29 1pee s SER 40 Cb -0.11 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1pee s SER 40 CO 0.22 -0.22 -0.05 -0.55 1.20 0.00 0.00 173.24 173.84 1pee s SER 41 N -0.42 0.53 0.09 5.45 0.15 -1.01 -1.43 113.70 117.06 1pee s SER 41 Ca -0.05 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.20 1pee s SER 41 Cb -0.04 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1pee s SER 41 CO 0.01 -0.10 0.22 0.72 1.20 0.00 0.00 173.24 175.30 1pee s PHE 42 N -0.75 0.09 -0.43 3.44 -0.71 -0.81 -1.29 117.98 117.52 1pee s PHE 42 Ca -0.05 -0.49 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 1pee s PHE 42 Cb -0.06 -0.01 0.12 0.00 -1.21 0.00 0.00 43.02 41.86 1pee s PHE 42 CO -0.00 -0.56 0.19 0.99 -1.34 0.00 0.00 175.22 174.50 1pee s THR 43 N -3.76 1.93 -0.10 -4.49 2.01 -0.69 -1.24 115.64 109.29 1pee s THR 43 Ca 0.04 -2.63 -0.21 0.00 0.31 0.00 0.00 61.69 59.20 1pee s THR 43 Cb 0.04 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1pee s THR 43 CO -0.11 -0.77 0.61 -2.16 -0.69 0.00 0.00 174.62 171.50 1pee s PRO 44 N 0.41 4.38 0.13 4.92 0.04 -1.26 -3.32 135.00 140.30 1pee s PRO 44 Ca 0.15 0.70 0.08 0.00 0.04 0.00 0.00 61.00 61.96 1pee s PRO 44 Cb -0.23 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1pee s PRO 44 CO -0.05 0.07 -0.18 1.03 0.04 0.00 0.00 177.00 177.91 1pee s ARG 45 N 0.83 1.14 0.03 4.56 1.81 -0.72 -4.15 118.95 122.45 1pee s ARG 45 Ca 0.32 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 53.11 1pee s ARG 45 Cb -0.17 -1.26 -0.02 0.00 -0.45 0.00 0.00 34.95 33.06 1pee s ARG 45 CO 0.14 0.27 -0.07 -2.00 -0.68 0.00 0.00 175.30 172.97 1pee s GLU 46 N -2.33 0.50 -0.30 3.54 -6.30 -1.26 -1.77 118.70 110.79 1pee s GLU 46 Ca 0.10 -0.62 -0.05 0.00 -2.50 0.00 0.00 54.97 51.89 1pee s GLU 46 Cb -0.08 -0.32 0.17 0.00 0.00 0.00 0.00 34.13 33.91 1pee s GLU 46 CO 0.05 0.06 0.66 0.45 0.02 0.00 0.00 175.26 176.50 1pee s SER 47 N -1.24 -1.22 -1.48 -1.70 0.15 -0.56 -4.95 113.70 102.69 1pee s SER 47 Ca -0.07 1.05 -0.12 0.00 0.70 0.00 0.00 55.95 57.50 1pee s SER 47 Cb -0.08 2.14 0.06 0.00 -1.71 0.00 0.00 66.02 66.43 1pee s SER 47 CO 0.00 -0.23 1.04 0.47 1.20 0.00 0.00 173.24 175.73 1pee n ASP 48 N 5.42 -5.33 0.00 5.45 8.00 -1.26 -2.48 116.55 126.35 1pee n ASP 48 Ca -0.05 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1pee n ASP 48 Cb 0.51 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 1pee n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pee n GLY 49 N -1.79 0.69 3.38 0.44 0.00 -1.26 -5.02 105.19 101.63 1pee n GLY 49 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1pee n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pee s THR 50 N -2.53 3.50 -0.14 2.61 2.01 -1.04 -0.87 115.64 119.17 1pee s THR 50 Ca 0.00 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 1pee s THR 50 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1pee s THR 50 CO 0.00 0.46 0.25 -0.69 -0.69 0.00 0.00 174.62 173.95 1pee s VAL 51 N 0.94 5.32 -0.05 3.82 1.01 -0.01 -1.50 120.40 129.94 1pee s VAL 51 Ca -0.00 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1pee s VAL 51 Cb -0.15 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1pee s VAL 51 CO 0.01 0.45 -0.18 -0.75 0.00 0.00 0.00 175.10 174.63 1pee s LYS 52 N 0.07 1.89 -0.13 2.72 2.47 -0.73 -1.63 119.74 124.41 1pee s LYS 52 Ca 0.16 -0.65 -0.06 0.00 -1.56 0.00 0.00 55.97 53.86 1pee s LYS 52 Cb -0.13 -1.63 0.05 0.00 -1.46 0.00 0.00 37.83 34.66 1pee s LYS 52 CO 0.04 0.26 0.29 -1.83 0.16 0.00 0.00 175.35 174.26 1pee s GLU 53 N 0.03 0.24 0.11 4.03 -1.05 -0.54 -1.76 118.70 119.76 1pee s GLU 53 Ca -0.04 0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 55.11 1pee s GLU 53 Cb -0.12 -0.07 -0.06 0.00 -0.44 0.00 0.00 34.13 33.44 1pee s GLU 53 CO 0.02 -0.19 1.09 0.00 0.95 0.00 0.00 175.26 177.14 1pee s ALA 54 N 1.54 3.33 -0.05 -0.84 0.00 -1.21 -1.09 121.76 123.44 1pee s ALA 54 Ca -0.07 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1pee s ALA 54 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1pee s ALA 54 CO -0.10 -0.25 -0.16 -1.17 0.00 0.00 0.00 175.76 174.09 1pee s LEU 55 N 0.28 1.86 -0.04 0.00 2.96 -0.06 -1.71 118.68 121.98 1pee s LEU 55 Ca 0.52 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1pee s LEU 55 Cb -0.27 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1pee s LEU 55 CO 0.32 0.12 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.93 1pee s TYR 56 N 0.19 0.83 -0.04 5.38 5.04 -0.41 -1.68 117.35 126.66 1pee s TYR 56 Ca -0.06 -0.23 0.06 0.00 -2.44 0.00 0.00 57.07 54.39 1pee s TYR 56 Cb -0.12 -0.67 -0.01 0.00 0.35 0.00 0.00 41.96 41.51 1pee s TYR 56 CO 0.03 -0.16 -0.21 -1.01 -1.34 0.00 0.00 175.55 172.85 1pee s HIS 57 N 0.63 2.03 -0.16 4.97 3.76 -0.70 -2.42 115.29 123.40 1pee s HIS 57 Ca -0.09 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 1pee s HIS 57 Cb -0.12 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.25 1pee s HIS 57 CO 0.01 -0.14 -0.19 -0.47 -0.85 0.00 0.00 174.74 173.09 1pee s TYR 58 N -0.21 2.74 -0.54 1.40 5.04 0.10 -1.34 117.35 124.55 1pee s TYR 58 Ca 0.00 -1.37 -0.28 0.00 -2.44 0.00 0.00 57.07 52.98 1pee s TYR 58 Cb -0.11 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.35 1pee s TYR 58 CO 0.02 -0.65 1.17 1.21 -1.34 0.00 0.00 175.55 175.95 1pee s ASN 59 N 1.00 6.52 0.46 4.32 3.84 0.27 -0.78 114.94 130.57 1pee s ASN 59 Ca -0.02 0.24 0.26 0.00 0.21 0.00 0.00 52.86 53.54 1pee s ASN 59 Cb -0.15 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 38.90 1pee s ASN 59 CO -0.05 -1.39 1.81 0.00 -2.79 0.00 0.00 177.10 174.68 1pee h ALA 60 N 9.42 0.99 0.00 1.71 0.00 -1.40 0.42 119.26 130.40 1pee h ALA 60 Ca -0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pee h ALA 60 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pee h ALA 60 CO 1.16 0.21 -0.00 -0.91 0.00 0.00 0.00 179.25 179.71 1pee h ASN 61 N 0.00 -0.00 1.71 0.00 4.21 -1.91 -3.37 115.58 116.21 1pee h ASN 61 Ca -0.00 -0.88 -0.01 0.00 1.21 0.00 0.00 56.30 56.62 1pee h ASN 61 Cb 0.77 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1pee h ASN 61 CO 0.02 0.92 -0.30 0.11 -1.29 0.00 0.00 177.43 176.89 1pee h LYS 62 N -0.97 0.00 -4.42 0.81 1.79 -1.92 -3.48 116.57 108.37 1pee h LYS 62 Ca -0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1pee h LYS 62 Cb 0.88 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.63 1pee h LYS 62 CO 0.00 0.03 -0.49 1.63 -1.08 0.00 0.00 179.45 179.55 1pee n LYS 63 N -3.00 -5.36 -4.41 3.15 5.02 0.15 -5.03 118.16 108.67 1pee n LYS 63 Ca 0.03 0.58 -0.25 0.00 -2.02 0.00 0.00 58.31 56.65 1pee n LYS 63 Cb 0.55 -4.86 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 1pee n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pee s THR 64 N -3.23 2.25 0.07 -0.18 -4.23 -1.21 -4.96 115.64 104.15 1pee s THR 64 Ca 0.31 -2.12 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1pee s THR 64 Cb -0.14 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 1pee s THR 64 CO 0.51 -0.26 -0.14 -0.44 -0.54 0.00 0.00 174.62 173.75 1pee s SER 65 N -2.93 1.70 0.21 3.99 0.01 -1.26 -0.57 113.70 114.86 1pee s SER 65 Ca 0.22 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 56.91 1pee s SER 65 Cb -0.06 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1pee s SER 65 CO 0.10 -0.07 -0.06 0.72 0.41 0.00 0.00 173.24 174.35 1pee s PHE 66 N -1.27 1.57 0.00 2.43 -0.12 -0.45 -5.01 117.98 115.14 1pee s PHE 66 Ca -0.02 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.07 1pee s PHE 66 Cb -0.10 -0.86 -0.00 0.00 -0.63 0.00 0.00 43.02 41.43 1pee s PHE 66 CO 0.02 0.10 -0.03 0.71 -0.05 0.00 0.00 175.22 175.97 1pee s TYR 67 N -3.27 0.23 0.11 3.49 1.51 -1.26 -1.71 117.35 116.44 1pee s TYR 67 Ca 0.25 -0.08 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1pee s TYR 67 Cb 0.04 -0.15 -0.00 0.00 -0.11 0.00 0.00 41.96 41.74 1pee s TYR 67 CO 0.07 -0.01 0.22 -0.80 -1.11 0.00 0.00 175.55 173.91 1pee s ASN 68 N -0.16 0.09 -0.10 2.29 -0.87 -0.68 -2.15 114.94 113.36 1pee s ASN 68 Ca -0.00 -0.70 0.02 0.00 -1.57 0.00 0.00 52.86 50.60 1pee s ASN 68 Cb -0.02 0.37 0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1pee s ASN 68 CO -0.00 -0.77 -0.13 -0.63 -2.57 0.00 0.00 177.10 172.99 1pee s ILE 69 N -3.89 1.33 0.04 0.60 -1.09 -0.76 -0.88 121.20 116.56 1pee s ILE 69 Ca 0.08 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1pee s ILE 69 Cb 0.04 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.65 1pee s ILE 69 CO -0.08 0.41 0.15 -0.83 -1.23 0.00 0.00 174.94 173.36 1pee s GLY 70 N 1.00 2.12 -0.03 6.18 0.00 -0.25 -0.87 107.32 115.48 1pee s GLY 70 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1pee s GLY 70 CO -0.01 -0.83 0.01 1.85 0.00 0.00 0.00 173.10 174.13 1pee s GLU 71 N -2.28 0.19 0.12 2.90 2.12 -0.01 -1.46 118.70 120.28 1pee s GLU 71 Ca 0.31 0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.72 1pee s GLU 71 Cb -0.13 -0.42 0.02 0.00 0.26 0.00 0.00 34.13 33.86 1pee s GLU 71 CO 0.23 -0.16 0.23 0.41 -0.54 0.00 0.00 175.26 175.43 1pee n GLY 72 N 4.22 1.87 3.30 -1.50 0.00 -0.65 -1.15 105.19 111.28 1pee n GLY 72 Ca -0.26 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 1pee n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pee s LYS 73 N -2.06 2.40 0.35 1.61 -0.14 -1.24 -0.83 119.74 119.83 1pee s LYS 73 Ca 0.06 -0.90 -0.28 0.00 -1.36 0.00 0.00 55.97 53.48 1pee s LYS 73 Cb -0.01 -2.14 -0.10 0.00 -1.68 0.00 0.00 37.83 33.89 1pee s LYS 73 CO 0.04 0.46 1.35 -0.51 -0.76 0.00 0.00 175.35 175.93 1pee s LEU 74 N -0.35 4.39 0.77 3.17 1.43 -0.05 -3.98 118.68 124.06 1pee s LEU 74 Ca 0.02 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.78 1pee s LEU 74 Cb -0.12 -3.67 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1pee s LEU 74 CO 0.02 -0.63 1.08 -1.61 0.23 0.00 0.00 176.35 175.44 1pee s GLU 75 N -1.89 2.31 0.63 1.70 0.41 0.05 -4.95 118.70 116.96 1pee s GLU 75 Ca 0.50 0.77 0.42 0.00 -0.41 0.00 0.00 54.97 56.25 1pee s GLU 75 Cb -0.41 -1.93 2.17 0.00 -1.78 0.00 0.00 34.13 32.18 1pee s GLU 75 CO 0.55 -1.49 2.27 0.66 -0.49 0.00 0.00 175.26 176.76 1pee h SER 76 N -1.00 0.00 1.38 -0.19 4.64 -1.95 -3.15 113.55 113.27 1pee h SER 76 Ca -0.46 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1pee h SER 76 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1pee h SER 76 CO 0.58 0.00 -0.41 0.77 -0.87 0.00 0.00 176.83 176.90 1pee h SER 77 N 0.00 0.00 0.00 4.97 4.64 -1.93 -3.50 113.55 117.74 1pee h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pee h SER 77 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1pee h SER 77 CO 0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 1pee n GLY 78 N 0.95 0.38 3.00 -0.77 0.00 -1.19 -4.86 105.19 102.69 1pee n GLY 78 Ca 0.02 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1pee n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pee n LEU 79 N 0.00 6.30 -3.73 0.99 4.32 -1.26 -4.17 117.00 119.44 1pee n LEU 79 Ca 0.00 -4.35 -0.12 0.00 -0.02 0.00 0.00 56.01 51.52 1pee n LEU 79 Cb 0.00 -1.59 -0.12 0.00 -1.62 0.00 0.00 43.42 40.09 1pee n LEU 79 CO 0.00 1.04 -0.03 -1.58 -1.22 0.00 0.00 177.39 175.59 1pee s GLN 80 N 2.00 0.32 -0.17 3.23 0.74 -1.26 -1.38 119.66 123.14 1pee s GLN 80 Ca 0.44 0.56 -0.16 0.00 0.05 0.00 0.00 55.36 56.25 1pee s GLN 80 Cb 0.09 0.03 0.04 0.00 1.10 0.00 0.00 33.01 34.27 1pee s GLN 80 CO -0.02 -0.11 0.46 1.52 -0.55 0.00 0.00 175.29 176.59 1pee s TYR 81 N 0.86 -0.50 -0.20 1.67 -0.85 -0.30 -0.77 117.35 117.26 1pee s TYR 81 Ca -0.06 1.21 -0.13 0.00 -0.52 0.00 0.00 57.07 57.57 1pee s TYR 81 Cb -0.07 0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 1pee s TYR 81 CO -0.06 -0.26 0.28 0.99 -1.52 0.00 0.00 175.55 174.98 1pee s THR 82 N 0.17 5.29 -0.12 -3.49 2.01 -1.26 -0.74 115.64 117.50 1pee s THR 82 Ca -0.01 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1pee s THR 82 Cb -0.03 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 1pee s THR 82 CO 0.01 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.07 1pee s ALA 83 N 0.92 2.31 0.55 7.40 0.00 0.09 -3.58 121.76 129.45 1pee s ALA 83 Ca 0.14 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1pee s ALA 83 Cb -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1pee s ALA 83 CO 0.05 0.22 0.84 -1.59 0.00 0.00 0.00 175.76 175.28 1pee s LYS 84 N 0.44 2.97 -0.07 0.00 -2.85 -0.30 -1.60 119.74 118.33 1pee s LYS 84 Ca -0.15 -0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 54.59 1pee s LYS 84 Cb -0.17 -2.34 0.02 0.00 -2.06 0.00 0.00 37.83 33.28 1pee s LYS 84 CO 0.06 -0.58 0.29 1.52 0.10 0.00 0.00 175.35 176.73 1pee s TYR 85 N -2.88 -0.24 0.35 1.78 1.13 -1.26 -0.83 117.35 115.40 1pee s TYR 85 Ca 0.52 0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 56.66 1pee s TYR 85 Cb -0.10 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 1pee s TYR 85 CO 0.43 -0.25 0.62 0.15 -2.51 0.00 0.00 175.55 174.00 1pee s LYS 86 N -0.51 3.62 -0.17 -3.49 1.02 -0.05 -3.62 119.74 116.54 1pee s LYS 86 Ca -0.06 0.05 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 1pee s LYS 86 Cb -0.04 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1pee s LYS 86 CO 0.02 0.10 -0.07 0.99 -0.92 0.00 0.00 175.35 175.46 1pee s THR 87 N -2.27 3.41 0.21 2.17 2.01 -0.28 -1.83 115.64 119.05 1pee s THR 87 Ca 0.45 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1pee s THR 87 Cb -0.10 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1pee s THR 87 CO 0.34 0.48 -0.01 0.68 -0.69 0.00 0.00 174.62 175.42 1pee s VAL 88 N 0.71 0.96 0.43 3.82 -7.23 -0.91 -0.57 120.40 117.61 1pee s VAL 88 Ca -0.04 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1pee s VAL 88 Cb -0.15 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.64 1pee s VAL 88 CO 0.02 -0.40 0.58 -0.90 -0.31 0.00 0.00 175.10 174.09 1pee n ASP 89 N -0.35 0.73 0.18 4.85 5.68 -0.42 -4.19 116.55 123.03 1pee n ASP 89 Ca -0.06 -1.63 0.13 0.00 -0.50 0.00 0.00 54.79 52.74 1pee n ASP 89 Cb 0.63 -0.38 0.64 0.00 -1.14 0.00 0.00 41.12 40.87 1pee n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pee h LYS 90 N 0.00 0.00 -0.15 0.11 2.10 -1.97 -0.40 116.57 116.26 1pee h LYS 90 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1pee h LYS 90 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1pee h LYS 90 CO 0.20 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.28 1pee n LYS 91 N -2.44 2.19 -1.28 0.07 4.76 -1.26 -4.77 118.16 115.43 1pee n LYS 91 Ca -0.00 -1.75 -0.10 0.00 -2.87 0.00 0.00 58.31 53.59 1pee n LYS 91 Cb 0.15 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1pee n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pee n LYS 92 N 1.05 -0.72 -1.90 1.97 5.02 -0.16 -5.01 118.16 118.41 1pee n LYS 92 Ca 0.17 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 1pee n LYS 92 Cb 0.52 -4.74 -0.02 0.00 -0.02 0.00 0.00 35.03 30.77 1pee n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pee s ALA 93 N -2.33 3.72 -0.22 7.82 0.00 -1.26 -4.74 121.76 124.75 1pee s ALA 93 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1pee s ALA 93 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1pee s ALA 93 CO 0.00 -0.84 1.06 0.08 0.00 0.00 0.00 175.76 176.05 1pee s VAL 94 N 0.27 4.65 -0.18 0.00 1.01 -1.26 -1.30 120.40 123.59 1pee s VAL 94 Ca 0.64 1.99 -0.15 0.00 0.00 0.00 0.00 61.98 64.46 1pee s VAL 94 Cb -0.45 -4.28 -0.21 0.00 0.00 0.00 0.00 36.38 31.44 1pee s VAL 94 CO 0.42 -0.17 0.21 0.18 0.00 0.00 0.00 175.10 175.74 1pee n LEU 95 N 6.30 2.19 -3.90 3.92 4.77 0.26 -4.93 117.00 125.60 1pee n LEU 95 Ca 0.12 0.32 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 1pee n LEU 95 Cb 0.46 -1.01 -0.16 0.00 -2.33 0.00 0.00 43.42 40.39 1pee n LEU 95 CO 0.52 0.53 -0.40 -0.54 -1.33 0.00 0.00 177.39 176.18 1pee s LYS 96 N -2.45 0.53 0.72 3.23 1.02 -0.97 -5.00 119.74 116.82 1pee s LYS 96 Ca -0.28 -0.09 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 1pee s LYS 96 Cb 0.07 -0.57 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1pee s LYS 96 CO 0.65 -0.02 1.08 -1.21 -0.92 0.00 0.00 175.35 174.93 1pee s GLU 97 N 0.52 2.67 0.55 1.68 0.41 -1.26 -1.12 118.70 122.15 1pee s GLU 97 Ca -0.06 1.10 -0.20 0.00 -0.41 0.00 0.00 54.97 55.40 1pee s GLU 97 Cb -0.09 -1.95 -0.06 0.00 -1.78 0.00 0.00 34.13 30.24 1pee s GLU 97 CO -0.00 -1.32 1.02 0.00 -0.49 0.00 0.00 175.26 174.47 1pee n ALA 98 N -3.14 0.35 -3.31 5.21 0.00 -1.24 -4.74 120.51 113.64 1pee n ALA 98 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pee n ALA 98 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1pee n ALA 98 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pee n ASP 99 N -0.44 1.53 -0.43 0.00 5.68 -1.26 -4.98 116.55 116.65 1pee n ASP 99 Ca 0.12 -0.41 0.05 0.00 -0.50 0.00 0.00 54.79 54.05 1pee n ASP 99 Cb 0.45 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.50 1pee n ASP 99 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1pee n GLU 100 N 0.00 1.31 -0.07 0.11 4.07 -1.26 -4.49 120.64 120.30 1pee n GLU 100 Ca 0.00 -1.40 -0.05 0.00 -0.06 0.00 0.00 57.16 55.65 1pee n GLU 100 Cb 0.00 -1.19 -0.14 0.00 -0.06 0.00 0.00 31.44 30.05 1pee n GLU 100 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1pee n LYS 101 N 0.44 1.03 -3.83 5.31 2.85 -1.26 -4.92 118.16 117.77 1pee n LYS 101 Ca 0.07 -0.04 -0.36 0.00 -1.05 0.00 0.00 58.31 56.93 1pee n LYS 101 Cb 0.29 -1.45 -0.11 0.00 -0.65 0.00 0.00 35.03 33.11 1pee n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1pee s ASN 102 N -4.97 5.53 0.21 -5.58 0.01 -1.26 -0.98 114.94 107.89 1pee s ASN 102 Ca -0.08 -0.04 -0.11 0.00 -0.71 0.00 0.00 52.86 51.91 1pee s ASN 102 Cb 0.06 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 1pee s ASN 102 CO 0.73 0.05 0.40 -0.94 -1.51 0.00 0.00 177.10 175.83 1pee s SER 103 N 1.10 -0.06 0.05 -1.22 1.04 -0.91 -4.45 113.70 109.26 1pee s SER 103 Ca 0.05 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.66 1pee s SER 103 Cb -0.14 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1pee s SER 103 CO 0.04 -1.02 -0.15 -0.72 0.98 0.00 0.00 173.24 172.36 1pee s TYR 104 N -3.99 1.33 -0.21 5.02 1.13 -0.63 -1.08 117.35 118.93 1pee s TYR 104 Ca 0.20 -0.39 -0.05 0.00 -1.41 0.00 0.00 57.07 55.42 1pee s TYR 104 Cb 0.01 -0.77 -0.02 0.00 -1.10 0.00 0.00 41.96 40.08 1pee s TYR 104 CO 0.04 0.06 -0.01 0.99 -2.51 0.00 0.00 175.55 174.13 1pee s THR 105 N -0.99 3.82 -0.16 -3.49 2.01 0.06 -0.73 115.64 116.15 1pee s THR 105 Ca 0.02 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1pee s THR 105 Cb -0.09 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1pee s THR 105 CO 0.02 0.42 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.10 1pee s LEU 106 N 1.17 3.12 -0.07 4.42 0.20 0.08 -1.67 118.68 125.93 1pee s LEU 106 Ca 0.03 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.68 1pee s LEU 106 Cb -0.14 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 1pee s LEU 106 CO 0.01 0.14 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.13 1pee s THR 107 N 0.55 1.56 -0.30 3.68 2.01 0.15 -1.15 115.64 122.14 1pee s THR 107 Ca -0.04 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1pee s THR 107 Cb -0.15 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1pee s THR 107 CO 0.03 0.45 0.32 -0.69 -0.69 0.00 0.00 174.62 174.03 1pee s VAL 108 N 0.35 5.21 -0.13 3.82 1.01 -0.48 -0.88 120.40 129.31 1pee s VAL 108 Ca -0.13 0.28 0.18 0.00 0.00 0.00 0.00 61.98 62.32 1pee s VAL 108 Cb -0.15 -3.69 -0.19 0.00 0.00 0.00 0.00 36.38 32.35 1pee s VAL 108 CO 0.05 0.10 0.61 0.18 0.00 0.00 0.00 175.10 176.04 1pee n LEU 109 N 5.27 0.53 -3.55 3.92 4.77 0.39 -2.12 117.00 126.20 1pee n LEU 109 Ca -0.10 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1pee n LEU 109 Cb 0.51 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1pee n LEU 109 CO 0.37 0.18 0.60 -0.70 -1.33 0.00 0.00 177.39 176.51 1pee s GLU 110 N -2.96 0.83 -0.29 3.23 2.56 -1.00 -4.45 118.70 116.63 1pee s GLU 110 Ca -0.05 0.22 -0.14 0.00 0.00 0.00 0.00 54.97 55.00 1pee s GLU 110 Cb 0.09 0.39 0.10 0.00 2.00 0.00 0.00 34.13 36.71 1pee s GLU 110 CO 0.83 -0.25 0.72 0.00 -0.56 0.00 0.00 175.26 176.00 1pee s ALA 111 N -1.10 -2.00 0.00 6.30 0.00 -1.26 -1.17 121.76 122.52 1pee s ALA 111 Ca -0.06 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.27 1pee s ALA 111 Cb -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1pee s ALA 111 CO 0.06 -0.55 0.00 -0.40 0.00 0.00 0.00 175.76 174.87 1pee n ASP 112 N 4.59 0.83 0.27 0.00 5.68 -0.08 -4.84 116.55 123.00 1pee n ASP 112 Ca -0.17 -0.55 0.14 0.00 -0.50 0.00 0.00 54.79 53.71 1pee n ASP 112 Cb 0.56 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.30 1pee n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1pee h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.01 -3.31 116.42 113.30 1pee h ASP 113 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pee h ASP 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pee h ASP 113 CO 0.00 0.10 -0.65 -1.54 -1.72 0.00 0.00 179.24 175.43 1pee n SER 114 N -3.59 3.26 -3.73 6.45 3.41 -1.26 -5.00 113.62 113.17 1pee n SER 114 Ca -0.02 -0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 1pee n SER 114 Cb 0.22 0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 65.05 1pee n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pee s SER 115 N -1.57 -0.17 0.14 4.04 0.01 -1.25 -3.09 113.70 111.80 1pee s SER 115 Ca 0.00 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.66 1pee s SER 115 Cb 0.00 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.73 1pee s SER 115 CO 0.00 -0.90 0.36 0.00 0.41 0.00 0.00 173.24 173.10 1pee s ALA 116 N -3.85 -0.59 -0.10 1.44 0.00 -0.33 -0.90 121.76 117.43 1pee s ALA 116 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1pee s ALA 116 Cb 0.02 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1pee s ALA 116 CO -0.08 -0.65 -0.15 -1.17 0.00 0.00 0.00 175.76 173.72 1pee s LEU 117 N -2.86 1.69 0.08 0.00 2.96 -0.32 -1.10 118.68 119.14 1pee s LEU 117 Ca 0.08 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1pee s LEU 117 Cb 0.02 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1pee s LEU 117 CO -0.07 0.01 -0.08 0.68 -1.32 0.00 0.00 176.35 175.56 1pee s VAL 118 N 0.99 0.74 0.02 1.68 -7.23 -0.54 -0.46 120.40 115.60 1pee s VAL 118 Ca -0.07 -1.60 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 1pee s VAL 118 Cb -0.15 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1pee s VAL 118 CO -0.01 -0.63 -0.24 -2.28 -0.31 0.00 0.00 175.10 171.63 1pee s HIS 119 N -2.61 2.40 -0.04 2.82 2.46 -0.06 -1.00 115.29 119.27 1pee s HIS 119 Ca 0.04 -0.37 -0.02 0.00 0.47 0.00 0.00 55.06 55.18 1pee s HIS 119 Cb -0.02 -1.46 0.03 0.00 -0.13 0.00 0.00 32.58 31.01 1pee s HIS 119 CO -0.02 0.11 0.06 0.42 -2.47 0.00 0.00 174.74 172.84 1pee s ILE 120 N -0.77 -0.08 -0.24 0.89 1.01 -0.41 -0.68 121.20 120.93 1pee s ILE 120 Ca 0.12 0.40 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 1pee s ILE 120 Cb -0.10 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1pee s ILE 120 CO 0.02 0.18 0.04 0.00 0.00 0.00 0.00 174.94 175.18 1pee s LEU 122 N 1.47 4.12 0.05 0.00 2.96 -0.27 -0.76 118.68 126.25 1pee s LEU 122 Ca 0.06 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1pee s LEU 122 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1pee s LEU 122 CO 0.02 0.22 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.05 1pee s ARG 123 N 0.08 0.59 -0.11 1.98 0.52 -0.24 -0.01 118.95 121.77 1pee s ARG 123 Ca 0.08 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.47 1pee s ARG 123 Cb -0.12 -0.42 0.04 0.00 0.52 0.00 0.00 34.95 34.98 1pee s ARG 123 CO -0.00 0.08 0.07 -2.00 0.02 0.00 0.00 175.30 173.47 1pee s GLU 124 N -1.58 0.02 5.79 3.54 2.12 -0.16 -2.15 118.70 126.27 1pee s GLU 124 Ca -0.08 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1pee s GLU 124 Cb -0.10 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.10 1pee s GLU 124 CO 0.01 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1pee n GLY 125 N 5.28 3.37 0.00 -1.50 0.00 -0.15 -1.36 105.19 110.83 1pee n GLY 125 Ca -0.05 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1pee n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pee n SER 126 N 4.20 0.00 -4.57 1.61 3.41 -1.26 -4.84 113.62 112.17 1pee n SER 126 Ca 0.00 -0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 57.74 1pee n SER 126 Cb 0.00 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1pee n SER 126 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pee s LYS 127 N -2.31 2.80 -0.16 4.33 -0.14 -0.46 -5.08 119.74 118.72 1pee s LYS 127 Ca 0.37 -0.56 -0.25 0.00 -1.36 0.00 0.00 55.97 54.18 1pee s LYS 127 Cb 0.21 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1pee s LYS 127 CO 0.42 0.63 0.80 -0.51 -0.76 0.00 0.00 175.35 175.93 1pee s ASP 128 N -0.71 6.94 -0.13 2.83 1.01 -1.26 -0.99 116.67 124.35 1pee s ASP 128 Ca 0.11 1.15 0.01 0.00 0.71 0.00 0.00 52.55 54.53 1pee s ASP 128 Cb -0.11 -2.44 -0.24 0.00 1.01 0.00 0.00 42.92 41.14 1pee s ASP 128 CO 0.02 -0.35 0.31 0.18 0.21 0.00 0.00 175.17 175.53 1pee n LEU 129 N 5.03 2.12 -3.66 1.23 4.77 0.99 -4.73 117.00 122.75 1pee n LEU 129 Ca 0.03 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1pee n LEU 129 Cb 0.49 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1pee n LEU 129 CO 0.48 0.74 0.31 -0.83 -1.33 0.00 0.00 177.39 176.76 1pee s GLY 130 N -5.64 -0.48 -0.13 -0.72 0.00 -1.09 -4.90 107.32 94.36 1pee s GLY 130 Ca -0.20 1.83 0.02 0.00 0.00 0.00 0.00 44.72 46.37 1pee s GLY 130 CO 0.76 1.63 -0.21 -0.35 0.00 0.00 0.00 173.10 174.93 1pee s ASP 131 N 0.52 3.29 -0.02 1.64 2.15 -1.26 -1.11 116.67 121.89 1pee s ASP 131 Ca -0.02 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1pee s ASP 131 Cb -0.05 -1.47 0.03 0.00 -0.30 0.00 0.00 42.92 41.13 1pee s ASP 131 CO -0.02 0.12 0.03 -0.22 -0.17 0.00 0.00 175.17 174.90 1pee s LEU 132 N 0.61 1.16 -0.15 -1.34 2.96 0.60 -2.94 118.68 119.59 1pee s LEU 132 Ca -0.11 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1pee s LEU 132 Cb -0.16 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1pee s LEU 132 CO 0.03 -0.12 0.13 -0.31 -1.32 0.00 0.00 176.35 174.77 1pee s TYR 133 N 0.97 3.52 -0.05 5.38 2.02 -0.76 -1.29 117.35 127.14 1pee s TYR 133 Ca -0.08 0.44 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1pee s TYR 133 Cb -0.12 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1pee s TYR 133 CO -0.03 0.56 -0.08 0.95 -1.57 0.00 0.00 175.55 175.38 1pee s THR 134 N -0.48 0.83 -0.01 -0.71 -4.23 -0.17 -0.88 115.64 110.00 1pee s THR 134 Ca 0.12 -0.31 -0.21 0.00 -1.18 0.00 0.00 61.69 60.12 1pee s THR 134 Cb -0.12 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 1pee s THR 134 CO 0.02 0.28 0.60 -0.69 -0.54 0.00 0.00 174.62 174.29 1pee s VAL 135 N 0.71 4.91 -0.01 2.29 1.01 -0.64 -1.46 120.40 127.22 1pee s VAL 135 Ca -0.12 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.18 1pee s VAL 135 Cb -0.14 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1pee s VAL 135 CO 0.02 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.58 1pee s LEU 136 N -0.15 2.06 0.24 3.92 1.43 -0.25 -1.21 118.68 124.72 1pee s LEU 136 Ca 0.31 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1pee s LEU 136 Cb -0.18 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1pee s LEU 136 CO 0.17 0.22 -0.04 0.42 0.23 0.00 0.00 176.35 177.34 1pee s THR 137 N -0.50 1.33 -1.05 5.49 -4.23 -0.58 -1.19 115.64 114.92 1pee s THR 137 Ca 0.07 -2.08 0.27 0.00 -1.18 0.00 0.00 61.69 58.77 1pee s THR 137 Cb -0.07 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.61 1pee s THR 137 CO -0.00 -0.38 1.70 1.41 -0.54 0.00 0.00 174.62 176.81 1pee n HIS 138 N -0.45 0.00 -4.11 3.99 8.25 -1.18 -0.79 115.22 120.93 1pee n HIS 138 Ca -0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 1pee n HIS 138 Cb 0.63 -0.37 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 1pee n HIS 138 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pee s GLN 139 N -2.96 0.65 0.01 -0.41 1.11 -1.26 -4.68 119.66 112.12 1pee s GLN 139 Ca 0.14 -0.87 -0.36 0.00 0.01 0.00 0.00 55.36 54.29 1pee s GLN 139 Cb 0.18 -0.48 -0.14 0.00 -1.01 0.00 0.00 33.01 31.56 1pee s GLN 139 CO 0.60 0.09 1.62 1.17 0.01 0.00 0.00 175.29 178.78 1pee n LYS 140 N 1.30 1.75 -1.01 2.91 4.81 -1.26 -2.52 118.16 124.14 1pee n LYS 140 Ca -0.22 0.64 -0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1pee n LYS 140 Cb 0.55 -2.38 -0.00 0.00 0.02 0.00 0.00 35.03 33.22 1pee n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pee n ASP 141 N 4.27 -5.41 -4.75 3.14 8.00 -1.26 -4.99 116.55 115.55 1pee n ASP 141 Ca 0.20 0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 1pee n ASP 141 Cb 0.24 -2.94 0.04 0.00 -0.02 0.00 0.00 41.12 38.45 1pee n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pee s ALA 142 N -1.22 2.72 0.20 2.24 0.00 -1.05 -4.98 121.76 119.66 1pee s ALA 142 Ca 0.00 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1pee s ALA 142 Cb 0.00 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1pee s ALA 142 CO 0.00 -1.39 1.16 -1.21 0.00 0.00 0.00 175.76 174.32 1pee s GLU 143 N -3.02 4.54 0.63 0.00 0.41 -1.26 -4.90 118.70 115.10 1pee s GLU 143 Ca 0.74 1.82 -0.17 0.00 -0.41 0.00 0.00 54.97 56.95 1pee s GLU 143 Cb -0.39 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 28.70 1pee s GLU 143 CO 0.45 0.00 1.17 -2.14 -0.49 0.00 0.00 175.26 174.25 1pee s PRO 144 N -0.49 2.81 0.63 0.39 0.02 -1.26 -5.00 135.00 132.11 1pee s PRO 144 Ca 0.50 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 1pee s PRO 144 Cb -0.32 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 1pee s PRO 144 CO 0.37 -1.30 1.13 -1.54 -0.33 0.00 0.00 177.00 175.34 1pee s SER 145 N -1.93 5.16 0.38 2.53 1.04 -1.26 -4.86 113.70 114.75 1pee s SER 145 Ca 0.74 2.11 0.10 0.00 0.48 0.00 0.00 55.95 59.38 1pee s SER 145 Cb -0.27 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.16 1pee s SER 145 CO 0.37 -1.60 1.91 0.00 0.98 0.00 0.00 173.24 174.90 1pee h ALA 146 N 0.35 1.88 -0.28 5.32 0.00 -1.99 -0.82 119.26 123.72 1pee h ALA 146 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pee h ALA 146 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1pee h ALA 146 CO 0.54 -0.07 0.18 -0.22 0.00 0.00 0.00 179.25 179.69 1pee h LYS 147 N 0.62 0.37 -0.33 0.00 3.64 -1.99 0.12 116.57 119.00 1pee h LYS 147 Ca 0.38 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1pee h LYS 147 Cb 0.61 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1pee h LYS 147 CO -0.15 0.25 -0.36 0.28 -2.27 0.00 0.00 179.45 177.21 1pee h VAL 148 N 0.38 1.28 -0.71 2.00 2.07 -1.84 -2.13 116.25 117.31 1pee h VAL 148 Ca 0.10 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.12 1pee h VAL 148 Cb -0.04 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1pee h VAL 148 CO -0.02 0.50 0.45 0.11 0.02 0.00 0.00 177.57 178.63 1pee h LYS 149 N 0.62 0.87 -0.92 1.57 1.57 -0.82 -1.95 116.57 117.51 1pee h LYS 149 Ca 0.06 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1pee h LYS 149 Cb 0.90 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1pee h LYS 149 CO 0.08 0.58 0.58 1.03 -0.57 0.00 0.00 179.45 181.15 1pee h SER 150 N 0.90 0.92 0.07 0.86 0.87 -0.88 -2.84 113.55 113.45 1pee h SER 150 Ca 0.27 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 1pee h SER 150 Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1pee h SER 150 CO -0.09 0.59 -0.20 0.00 -0.53 0.00 0.00 176.83 176.60 1pee h ALA 151 N 1.42 1.40 -0.42 6.23 0.00 -0.77 0.36 119.26 127.48 1pee h ALA 151 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pee h ALA 151 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pee h ALA 151 CO -0.17 0.42 0.27 0.28 0.00 0.00 0.00 179.25 180.04 1pee h VAL 152 N 0.23 1.12 -0.29 0.00 2.07 -1.13 -1.12 116.25 117.13 1pee h VAL 152 Ca 0.04 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1pee h VAL 152 Cb 0.48 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1pee h VAL 152 CO 0.03 0.12 -0.53 0.74 0.02 0.00 0.00 177.57 177.95 1pee h THR 153 N 0.57 1.28 -0.17 2.57 2.02 -1.34 -2.42 112.91 115.41 1pee h THR 153 Ca 0.15 -1.71 0.05 0.00 0.77 0.00 0.00 66.41 65.67 1pee h THR 153 Cb -0.04 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1pee h THR 153 CO -0.03 0.56 0.14 1.56 0.37 0.00 0.00 175.52 178.12 1pee h GLN 154 N 0.65 0.00 -0.01 6.66 4.20 -0.69 -1.59 115.11 124.34 1pee h GLN 154 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1pee h GLN 154 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1pee h GLN 154 CO 0.12 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.27 1pee n ALA 155 N -2.47 2.64 -0.64 3.87 0.00 -0.44 -4.89 120.51 118.57 1pee n ALA 155 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1pee n ALA 155 Cb 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1pee n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pee n GLY 156 N 1.12 0.64 3.85 0.00 0.00 -0.60 -5.08 105.19 105.12 1pee n GLY 156 Ca 0.20 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1pee n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pee s LEU 157 N 0.00 3.32 -0.24 0.99 1.43 -0.96 -5.03 118.68 118.18 1pee s LEU 157 Ca 0.00 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1pee s LEU 157 Cb 0.00 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1pee s LEU 157 CO 0.00 -0.64 -0.10 -1.10 0.23 0.00 0.00 176.35 174.75 1pee s GLN 158 N -4.08 2.07 0.34 1.70 -0.21 -1.26 -4.12 119.66 114.09 1pee s GLN 158 Ca 0.46 -1.17 0.09 0.00 0.02 0.00 0.00 55.36 54.77 1pee s GLN 158 Cb -0.02 -2.74 0.81 0.00 1.00 0.00 0.00 33.01 32.07 1pee s GLN 158 CO 0.27 -0.55 1.83 1.25 -2.12 0.00 0.00 175.29 175.97 1pee h LEU 159 N 7.85 0.68 -2.39 2.90 5.85 -1.94 -0.24 115.31 128.03 1pee h LEU 159 Ca -0.21 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1pee h LEU 159 Cb 1.06 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1pee h LEU 159 CO 0.46 0.30 0.11 0.77 -0.34 0.00 0.00 178.44 179.74 1pee h SER 160 N 0.70 0.00 0.78 1.25 4.64 -2.03 -1.34 113.55 117.56 1pee h SER 160 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1pee h SER 160 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1pee h SER 160 CO -0.26 0.00 -0.40 0.00 -0.87 0.00 0.00 176.83 175.30 1pee n GLN 161 N -3.71 0.11 -1.05 4.77 6.02 -0.10 -4.84 117.38 118.57 1pee n GLN 161 Ca -0.01 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 1pee n GLN 161 Cb 0.21 -1.58 0.12 0.00 1.02 0.00 0.00 30.24 30.01 1pee n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1pee s PHE 162 N -3.06 2.22 -0.19 1.08 0.40 -0.51 -4.95 117.98 112.97 1pee s PHE 162 Ca 0.10 1.65 -0.25 0.00 -0.60 0.00 0.00 56.93 57.83 1pee s PHE 162 Cb 0.16 -3.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.52 1pee s PHE 162 CO 0.66 -2.18 0.84 0.08 0.70 0.00 0.00 175.22 175.32 1pee s VAL 163 N -2.81 4.86 -0.08 -0.44 1.01 0.31 -4.87 120.40 118.37 1pee s VAL 163 Ca 0.63 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.94 1pee s VAL 163 Cb -0.19 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1pee s VAL 163 CO 0.57 -0.01 1.00 -0.83 0.00 0.00 0.00 175.10 175.82 1pee s GLY 164 N 1.22 2.48 0.07 4.51 0.00 -1.26 -1.59 107.32 112.74 1pee s GLY 164 Ca 0.37 0.41 0.26 0.00 0.00 0.00 0.00 44.72 45.76 1pee s GLY 164 CO 0.10 1.86 1.57 -1.30 0.00 0.00 0.00 173.10 175.34 1pee n THR 165 N 4.41 0.20 -0.32 0.90 -2.24 -0.19 -4.00 114.28 113.03 1pee n THR 165 Ca 0.08 -0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1pee n THR 165 Cb 0.49 -0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.70 1pee n THR 165 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1pee h LYS 166 N 0.00 0.94 0.00 -0.78 3.64 -1.91 -1.97 116.57 116.49 1pee h LYS 166 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pee h LYS 166 Cb 0.61 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1pee h LYS 166 CO 0.00 0.62 0.00 -0.25 -2.27 0.00 0.00 179.45 177.55 1pee n ASP 167 N -4.63 0.00 0.07 4.20 8.00 -1.26 -3.65 116.55 119.28 1pee n ASP 167 Ca 0.14 -0.51 0.13 0.00 0.71 0.00 0.00 54.79 55.26 1pee n ASP 167 Cb 0.21 -0.13 0.41 0.00 -0.02 0.00 0.00 41.12 41.59 1pee n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pee n LEU 168 N -1.13 0.59 -1.06 0.64 4.77 -0.74 -4.93 117.00 115.13 1pee n LEU 168 Ca 0.17 0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 56.58 1pee n LEU 168 Cb 0.15 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1pee n LEU 168 CO 0.18 -0.10 0.04 0.61 -1.33 0.00 0.00 177.39 176.79 1pee n GLY 169 N 1.37 0.63 3.63 -0.72 0.00 -1.24 -4.87 105.19 103.99 1pee n GLY 169 Ca 0.06 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1pee n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pee s GLN 171 N -2.70 1.62 0.27 0.00 -1.52 -1.26 -5.15 119.66 110.92 1pee s GLN 171 Ca 0.74 -0.35 0.08 0.00 -1.95 0.00 0.00 55.36 53.87 1pee s GLN 171 Cb -0.43 -1.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.88 1pee s GLN 171 CO 0.48 -0.07 0.16 0.71 -0.25 0.00 0.00 175.29 176.32 1pee s TYR 172 N 1.00 2.96 -0.47 0.91 2.02 -1.26 -4.77 117.35 117.74 1pee s TYR 172 Ca -0.08 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1pee s TYR 172 Cb -0.15 -1.42 0.12 0.00 -0.40 0.00 0.00 41.96 40.12 1pee s TYR 172 CO -0.00 0.49 0.22 0.34 -1.57 0.00 0.00 175.55 175.02 1pee s ASP 173 N -3.82 4.29 0.48 2.29 -1.08 -1.26 -4.97 116.67 112.60 1pee s ASP 173 Ca 0.34 -2.79 0.28 0.00 -0.52 0.00 0.00 52.55 49.86 1pee s ASP 173 Cb -0.07 -1.54 0.85 0.00 -1.46 0.00 0.00 42.92 40.70 1pee s ASP 173 CO 0.24 -0.26 1.79 0.44 0.52 0.00 0.00 175.17 177.90 1pee h ASP 174 N 6.75 0.00 -0.39 -0.34 3.32 -1.99 -2.84 116.42 120.93 1pee h ASP 174 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1pee h ASP 174 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1pee h ASP 174 CO 0.63 0.00 0.07 1.56 -1.72 0.00 0.00 179.24 179.78 1pee h GLN 175 N 0.00 0.64 -0.31 3.56 7.50 -1.95 -2.82 115.11 121.73 1pee h GLN 175 Ca 0.00 -0.17 -0.00 0.00 0.50 0.00 0.00 58.65 58.98 1pee h GLN 175 Cb 0.75 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.19 1pee h GLN 175 CO 0.00 0.68 0.19 0.35 -1.50 0.00 0.00 178.83 178.55 1pee h PHE 176 N 0.49 0.41 0.00 2.96 3.57 -1.81 -2.56 116.94 120.01 1pee h PHE 176 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1pee h PHE 176 Cb 0.35 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pee h PHE 176 CO 0.02 0.31 0.00 0.25 -2.23 0.00 0.00 178.31 176.66 1pee n THR 177 N -4.83 0.44 -2.88 4.41 -2.24 -1.12 -4.83 114.28 103.22 1pee n THR 177 Ca -0.01 0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 1pee n THR 177 Cb 0.06 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 1pee n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pee s SER 178 N -2.99 7.45 0.00 3.42 0.01 -0.97 -4.69 113.70 115.93 1pee s SER 178 Ca 0.11 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1pee s SER 178 Cb 0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1pee s SER 178 CO 0.41 0.14 0.00 0.18 0.41 0.00 0.00 173.24 174.39