#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya5 s THR 2 N 0.00 2.23 0.67 2.03 2.01 -1.26 -4.98 115.64 116.34 1ya5 s THR 2 Ca 0.00 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1ya5 s THR 2 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1ya5 s THR 2 CO 0.00 0.02 0.89 0.35 -0.69 0.00 0.00 174.62 175.18 1ya5 n THR 3 N 3.61 3.04 -3.64 -0.82 -2.24 -1.26 -4.73 114.28 108.25 1ya5 n THR 3 Ca 0.14 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1ya5 n THR 3 Cb 0.37 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 1ya5 n THR 3 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ya5 s GLN 4 N -2.99 0.77 0.76 -0.78 0.74 -0.07 -4.84 119.66 113.25 1ya5 s GLN 4 Ca 0.73 1.12 -0.14 0.00 0.05 0.00 0.00 55.36 57.13 1ya5 s GLN 4 Cb -0.37 0.26 0.06 0.00 1.10 0.00 0.00 33.01 34.05 1ya5 s GLN 4 CO 0.50 -0.13 1.19 0.00 -0.55 0.00 0.00 175.29 176.30 1ya5 s ALA 5 N 1.07 2.03 0.26 1.58 0.00 -1.26 0.11 121.76 125.55 1ya5 s ALA 5 Ca -0.05 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1ya5 s ALA 5 Cb -0.05 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1ya5 s ALA 5 CO -0.10 -2.01 1.38 -2.14 0.00 0.00 0.00 175.76 172.89 1ya5 s PRO 6 N -4.07 4.31 -0.09 0.00 0.02 -1.25 -4.32 135.00 129.59 1ya5 s PRO 6 Ca 0.72 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.92 1ya5 s PRO 6 Cb -0.28 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1ya5 s PRO 6 CO 0.48 -0.33 0.23 -0.08 -0.33 0.00 0.00 177.00 176.96 1ya5 s THR 7 N -0.30 -0.02 -0.39 0.99 -1.32 0.12 -4.46 115.64 110.26 1ya5 s THR 7 Ca 0.56 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.81 1ya5 s THR 7 Cb -0.40 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1ya5 s THR 7 CO 0.45 0.02 1.46 -0.36 -2.21 0.00 0.00 174.62 173.98 1ya5 s PHE 8 N 0.57 2.33 0.20 9.09 0.40 -1.26 -1.66 117.98 127.65 1ya5 s PHE 8 Ca -0.04 0.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.02 1ya5 s PHE 8 Cb -0.05 -4.27 0.10 0.00 0.51 0.00 0.00 43.02 39.31 1ya5 s PHE 8 CO -0.03 -2.11 1.45 1.79 0.70 0.00 0.00 175.22 177.03 1ya5 h THR 9 N 6.48 1.50 -3.22 0.64 1.35 -1.43 -3.40 112.91 114.83 1ya5 h THR 9 Ca -0.28 -2.52 -0.46 0.00 -0.55 0.00 0.00 66.41 62.60 1ya5 h THR 9 Cb 1.11 2.37 -0.39 0.00 -1.73 0.00 0.00 68.15 69.51 1ya5 h THR 9 CO 1.08 0.73 -0.76 -1.58 -0.25 0.00 0.00 175.52 174.74 1ya5 s GLN 10 N -3.31 0.40 1.02 4.72 0.74 -1.02 -4.97 119.66 117.24 1ya5 s GLN 10 Ca -0.02 -0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.20 1ya5 s GLN 10 Cb 0.11 -1.42 0.20 0.00 1.10 0.00 0.00 33.01 33.00 1ya5 s GLN 10 CO 0.80 -0.49 1.13 -1.25 -0.55 0.00 0.00 175.29 174.94 1ya5 s PRO 11 N 2.00 0.21 0.82 1.67 0.05 -1.26 -1.18 135.00 137.32 1ya5 s PRO 11 Ca 0.03 0.22 -0.13 0.00 0.05 0.00 0.00 61.00 61.17 1ya5 s PRO 11 Cb -0.14 -1.74 0.09 0.00 0.05 0.00 0.00 34.50 32.76 1ya5 s PRO 11 CO -0.07 -2.81 1.19 -0.51 0.05 0.00 0.00 177.00 174.85 1ya5 s LEU 12 N -6.42 3.09 0.19 -3.56 1.43 -1.26 -4.76 118.68 107.39 1ya5 s LEU 12 Ca 0.67 2.30 0.11 0.00 -1.03 0.00 0.00 54.13 56.18 1ya5 s LEU 12 Cb -0.14 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1ya5 s LEU 12 CO 0.56 -2.70 -0.23 -1.10 0.23 0.00 0.00 176.35 173.10 1ya5 s GLN 13 N -4.27 1.48 0.76 1.70 -0.21 -1.26 -4.90 119.66 112.96 1ya5 s GLN 13 Ca 0.71 -1.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.48 1ya5 s GLN 13 Cb -0.27 -1.78 0.05 0.00 1.00 0.00 0.00 33.01 32.01 1ya5 s GLN 13 CO 0.52 0.38 1.08 -1.12 -2.12 0.00 0.00 175.29 174.04 1ya5 s SER 14 N -2.66 4.68 -0.13 5.90 0.01 -1.26 -4.73 113.70 115.52 1ya5 s SER 14 Ca 0.20 1.78 -0.05 0.00 1.31 0.00 0.00 55.95 59.19 1ya5 s SER 14 Cb -0.08 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.70 1ya5 s SER 14 CO 0.09 -1.92 0.26 -0.69 0.41 0.00 0.00 173.24 171.39 1ya5 s VAL 15 N -2.93 -0.39 -0.21 3.43 1.01 0.49 -4.95 120.40 116.84 1ya5 s VAL 15 Ca 0.60 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1ya5 s VAL 15 Cb -0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1ya5 s VAL 15 CO 0.56 0.12 -0.03 -0.69 0.00 0.00 0.00 175.10 175.05 1ya5 s VAL 16 N 2.36 3.56 0.08 2.92 1.01 -1.26 -0.45 120.40 128.62 1ya5 s VAL 16 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1ya5 s VAL 16 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1ya5 s VAL 16 CO -0.08 0.43 -0.10 0.54 0.00 0.00 0.00 175.10 175.89 1ya5 s VAL 17 N 1.23 0.83 0.09 2.92 0.11 0.00 -4.97 120.40 120.60 1ya5 s VAL 17 Ca 0.03 -1.48 -0.26 0.00 -2.93 0.00 0.00 61.98 57.34 1ya5 s VAL 17 Cb -0.14 -1.16 -0.06 0.00 -1.53 0.00 0.00 36.38 33.48 1ya5 s VAL 17 CO -0.01 -0.50 0.79 -0.76 -3.33 0.00 0.00 175.10 171.30 1ya5 s LEU 18 N -2.19 4.50 0.07 2.54 1.43 -1.26 -0.44 118.68 123.33 1ya5 s LEU 18 Ca 0.01 1.55 -0.37 0.00 -1.03 0.00 0.00 54.13 54.29 1ya5 s LEU 18 Cb -0.05 -3.30 -0.18 0.00 0.03 0.00 0.00 46.19 42.70 1ya5 s LEU 18 CO -0.00 0.06 1.14 1.21 0.23 0.00 0.00 176.35 178.99 1ya5 n GLU 19 N 2.46 0.58 -0.31 1.70 2.13 0.29 -0.69 120.64 126.80 1ya5 n GLU 19 Ca -0.03 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1ya5 n GLU 19 Cb 0.50 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1ya5 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ya5 n GLY 20 N 1.97 0.96 3.97 8.31 0.00 -0.02 -4.80 105.19 115.57 1ya5 n GLY 20 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1ya5 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya5 s SER 21 N -2.98 5.92 0.08 1.61 0.01 0.13 -4.53 113.70 113.94 1ya5 s SER 21 Ca 0.00 0.12 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 1ya5 s SER 21 Cb 0.00 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.71 1ya5 s SER 21 CO 0.00 -0.56 1.11 -0.89 0.41 0.00 0.00 173.24 173.31 1ya5 s THR 22 N -2.39 4.22 -0.16 1.44 2.01 -1.10 -0.20 115.64 119.46 1ya5 s THR 22 Ca 0.46 1.67 -0.02 0.00 0.31 0.00 0.00 61.69 64.11 1ya5 s THR 22 Cb -0.10 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1ya5 s THR 22 CO 0.35 0.17 -0.08 0.00 -0.69 0.00 0.00 174.62 174.37 1ya5 s ALA 23 N 0.70 2.79 -0.16 7.40 0.00 -0.34 -4.97 121.76 127.18 1ya5 s ALA 23 Ca 0.54 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1ya5 s ALA 23 Cb -0.27 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1ya5 s ALA 23 CO 0.30 0.09 -0.20 0.99 0.00 0.00 0.00 175.76 176.94 1ya5 s THR 24 N 0.59 2.02 -0.19 0.00 2.01 -1.26 -0.19 115.64 118.62 1ya5 s THR 24 Ca -0.05 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1ya5 s THR 24 Cb -0.15 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1ya5 s THR 24 CO 0.03 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.10 1ya5 s PHE 25 N 1.12 2.98 0.07 4.92 0.40 0.24 -4.97 117.98 122.73 1ya5 s PHE 25 Ca 0.00 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1ya5 s PHE 25 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1ya5 s PHE 25 CO -0.09 -0.34 -0.05 -1.83 0.70 0.00 0.00 175.22 173.62 1ya5 s GLU 26 N 1.04 0.70 0.10 0.44 -1.05 -1.26 0.80 118.70 119.47 1ya5 s GLU 26 Ca 0.01 -1.26 -0.18 0.00 -0.15 0.00 0.00 54.97 53.40 1ya5 s GLU 26 Cb -0.15 0.03 0.04 0.00 -0.44 0.00 0.00 34.13 33.61 1ya5 s GLU 26 CO 0.01 -0.07 0.44 0.00 0.95 0.00 0.00 175.26 176.58 1ya5 s ALA 27 N -3.73 -1.05 -0.13 -0.84 0.00 -0.17 -4.33 121.76 111.51 1ya5 s ALA 27 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1ya5 s ALA 27 Cb 0.06 0.61 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1ya5 s ALA 27 CO -0.08 -0.61 -0.18 -1.58 0.00 0.00 0.00 175.76 173.32 1ya5 s HIS 28 N -3.40 2.70 -0.01 0.00 2.46 -0.32 -0.90 115.29 115.82 1ya5 s HIS 28 Ca 0.00 -0.95 0.05 0.00 0.47 0.00 0.00 55.06 54.64 1ya5 s HIS 28 Cb 0.01 -1.80 -0.01 0.00 -0.13 0.00 0.00 32.58 30.64 1ya5 s HIS 28 CO -0.09 -0.38 -0.17 0.42 -2.47 0.00 0.00 174.74 172.04 1ya5 s ILE 29 N 0.50 1.37 0.21 0.89 1.01 -0.64 -1.02 121.20 123.52 1ya5 s ILE 29 Ca -0.12 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1ya5 s ILE 29 Cb -0.16 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1ya5 s ILE 29 CO 0.05 0.36 -0.13 -0.94 0.00 0.00 0.00 174.94 174.28 1ya5 s SER 30 N -0.48 2.55 0.00 3.58 1.04 -0.67 -4.50 113.70 115.22 1ya5 s SER 30 Ca 0.07 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1ya5 s SER 30 Cb -0.07 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1ya5 s SER 30 CO -0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1ya5 n GLY 31 N -0.39 3.75 2.86 7.32 0.00 -1.26 -0.70 105.19 116.77 1ya5 n GLY 31 Ca -0.08 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 1ya5 n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ya5 s PHE 32 N -2.00 0.61 0.76 1.61 5.36 0.30 -2.32 117.98 122.30 1ya5 s PHE 32 Ca 0.00 -0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 55.70 1ya5 s PHE 32 Cb 0.00 -0.59 0.06 0.00 -0.34 0.00 0.00 43.02 42.15 1ya5 s PHE 32 CO 0.00 -0.18 1.17 -2.14 -1.46 0.00 0.00 175.22 172.61 1ya5 s PRO 33 N 1.00 2.03 0.06 10.12 0.02 -1.26 -0.89 135.00 146.09 1ya5 s PRO 33 Ca -0.10 1.59 -0.38 0.00 0.02 0.00 0.00 61.00 62.14 1ya5 s PRO 33 Cb -0.14 -1.84 -0.17 0.00 0.02 0.00 0.00 34.50 32.37 1ya5 s PRO 33 CO -0.01 -1.88 1.29 1.55 -0.33 0.00 0.00 177.00 177.62 1ya5 n VAL 34 N -3.07 0.00 -0.94 3.83 3.14 -0.98 -4.82 118.33 115.50 1ya5 n VAL 34 Ca 0.12 -0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.19 1ya5 n VAL 34 Cb 0.51 -0.64 0.14 0.00 -1.06 0.00 0.00 33.84 32.79 1ya5 n VAL 34 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1ya5 s PRO 35 N 0.44 1.34 -0.06 1.45 0.02 -1.26 -4.94 135.00 131.98 1ya5 s PRO 35 Ca 0.86 1.29 -0.19 0.00 0.02 0.00 0.00 61.00 62.99 1ya5 s PRO 35 Cb -1.03 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 1ya5 s PRO 35 CO 0.49 -2.32 0.51 -2.00 -0.33 0.00 0.00 177.00 173.35 1ya5 s GLU 36 N -4.76 4.28 0.17 5.54 2.12 0.67 -4.87 118.70 121.85 1ya5 s GLU 36 Ca 0.65 0.55 0.10 0.00 0.36 0.00 0.00 54.97 56.62 1ya5 s GLU 36 Cb -0.20 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1ya5 s GLU 36 CO 0.58 0.30 -0.21 0.14 -0.54 0.00 0.00 175.26 175.52 1ya5 s VAL 37 N 0.14 2.00 -0.12 3.70 -7.23 -1.26 -1.22 120.40 116.40 1ya5 s VAL 37 Ca 0.28 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 1ya5 s VAL 37 Cb -0.16 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1ya5 s VAL 37 CO 0.13 -0.21 0.64 -0.94 -0.31 0.00 0.00 175.10 174.41 1ya5 s SER 38 N -2.56 -0.63 0.01 4.85 1.04 -0.52 -4.99 113.70 110.90 1ya5 s SER 38 Ca 0.16 0.90 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1ya5 s SER 38 Cb -0.07 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.84 1ya5 s SER 38 CO 0.07 -0.45 -0.06 0.26 0.98 0.00 0.00 173.24 174.04 1ya5 s TRP 39 N -0.62 2.90 0.04 5.02 0.52 -1.26 -0.85 118.94 124.68 1ya5 s TRP 39 Ca -0.07 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.04 1ya5 s TRP 39 Cb -0.02 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1ya5 s TRP 39 CO 0.06 0.39 -0.09 -0.06 0.02 0.00 0.00 176.95 177.26 1ya5 s PHE 40 N -1.03 0.82 -0.14 -1.98 0.40 -0.29 -1.27 117.98 114.49 1ya5 s PHE 40 Ca 0.18 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1ya5 s PHE 40 Cb -0.11 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 42.94 1ya5 s PHE 40 CO 0.09 -0.03 -0.19 0.50 0.70 0.00 0.00 175.22 176.29 1ya5 s ARG 41 N -1.21 2.75 -1.39 0.44 3.52 0.60 -1.03 118.95 122.62 1ya5 s ARG 41 Ca -0.04 -0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 54.70 1ya5 s ARG 41 Cb -0.08 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1ya5 s ARG 41 CO 0.01 -0.06 0.35 -0.25 -0.81 0.00 0.00 175.30 174.54 1ya5 n ASP 42 N 4.21 -1.20 0.00 -2.12 8.00 0.12 -1.78 116.55 123.77 1ya5 n ASP 42 Ca -0.20 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1ya5 n ASP 42 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.44 1ya5 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ya5 n GLY 43 N -2.22 2.17 3.77 0.44 0.00 -1.26 -4.97 105.19 103.12 1ya5 n GLY 43 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1ya5 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ya5 s GLN 44 N 0.00 4.54 0.66 1.61 -1.52 -0.74 -5.00 119.66 119.21 1ya5 s GLN 44 Ca 0.00 1.13 -0.16 0.00 -1.95 0.00 0.00 55.36 54.37 1ya5 s GLN 44 Cb 0.00 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1ya5 s GLN 44 CO 0.00 0.53 1.19 0.54 -0.25 0.00 0.00 175.29 177.29 1ya5 s VAL 45 N -0.97 2.63 -0.16 1.09 0.11 -1.26 -0.29 120.40 121.54 1ya5 s VAL 45 Ca 0.36 0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 59.67 1ya5 s VAL 45 Cb -0.23 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 1ya5 s VAL 45 CO 0.25 -0.14 0.10 -0.63 -3.33 0.00 0.00 175.10 171.36 1ya5 s ILE 46 N -1.90 5.18 0.28 7.04 1.01 -0.40 -4.71 121.20 127.69 1ya5 s ILE 46 Ca 0.74 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1ya5 s ILE 46 Cb -0.28 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1ya5 s ILE 46 CO 0.40 0.51 0.28 -1.54 0.00 0.00 0.00 174.94 174.59 1ya5 n SER 47 N 2.98 -0.74 0.00 3.58 3.41 -1.26 -4.82 113.62 116.77 1ya5 n SER 47 Ca -0.17 -2.75 0.11 0.00 -0.26 0.00 0.00 58.87 55.79 1ya5 n SER 47 Cb 0.53 1.58 0.51 0.00 -0.26 0.00 0.00 64.21 66.57 1ya5 n SER 47 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ya5 n THR 48 N -0.51 0.42 0.16 6.66 -2.24 -1.26 -0.86 114.28 116.64 1ya5 n THR 48 Ca 0.05 0.10 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1ya5 n THR 48 Cb 0.50 -0.73 0.07 0.00 -2.10 0.00 0.00 70.33 68.07 1ya5 n THR 48 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ya5 h SER 49 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.15 113.55 111.85 1ya5 h SER 49 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ya5 h SER 49 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1ya5 h SER 49 CO 0.00 0.16 -1.92 0.35 -1.14 0.00 0.00 176.83 174.27 1ya5 n THR 50 N -3.00 0.27 -3.30 -2.27 -2.24 -0.75 -4.74 114.28 98.25 1ya5 n THR 50 Ca 0.01 -0.49 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 1ya5 n THR 50 Cb 0.61 -0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 1ya5 n THR 50 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ya5 n LEU 51 N -2.26 0.35 -4.69 3.22 4.77 -0.04 -4.96 117.00 113.40 1ya5 n LEU 51 Ca -0.09 -4.67 -0.44 0.00 -0.03 0.00 0.00 56.01 50.78 1ya5 n LEU 51 Cb 0.62 0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 42.13 1ya5 n LEU 51 CO 0.38 1.99 1.41 -0.81 -1.33 0.00 0.00 177.39 179.03 1ya5 n PRO 52 N 1.83 2.58 0.00 3.23 -0.04 -1.19 -1.51 135.00 139.91 1ya5 n PRO 52 Ca 0.24 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 1ya5 n PRO 52 Cb 0.50 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1ya5 n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ya5 n GLY 53 N 4.05 3.24 3.46 0.55 0.00 -1.26 -4.96 105.19 110.27 1ya5 n GLY 53 Ca 0.18 -1.02 -0.55 0.00 0.00 0.00 0.00 46.02 44.63 1ya5 n GLY 53 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya5 n VAL 54 N 0.00 0.77 -3.43 1.61 0.24 -0.57 -4.68 118.33 112.28 1ya5 n VAL 54 Ca 0.00 -0.19 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 1ya5 n VAL 54 Cb 0.00 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.34 1ya5 n VAL 54 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ya5 s GLN 55 N -0.38 2.59 -0.30 7.34 -0.21 -0.80 -4.91 119.66 122.99 1ya5 s GLN 55 Ca 0.81 -1.49 -0.16 0.00 0.02 0.00 0.00 55.36 54.54 1ya5 s GLN 55 Cb -1.14 -2.46 0.17 0.00 1.00 0.00 0.00 33.01 30.59 1ya5 s GLN 55 CO 0.57 -0.24 1.09 0.42 -2.12 0.00 0.00 175.29 175.01 1ya5 s ILE 56 N -2.46 -0.09 0.15 1.08 1.01 -1.26 -2.79 121.20 116.83 1ya5 s ILE 56 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 1ya5 s ILE 56 Cb -0.05 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1ya5 s ILE 56 CO 0.29 0.00 0.17 -0.94 0.00 0.00 0.00 174.94 174.46 1ya5 s SER 57 N 1.52 0.17 -0.35 3.58 1.04 -0.65 -5.00 113.70 114.00 1ya5 s SER 57 Ca -0.07 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.38 1ya5 s SER 57 Cb -0.03 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.63 1ya5 s SER 57 CO -0.14 -0.81 0.50 0.12 0.98 0.00 0.00 173.24 173.89 1ya5 s PHE 58 N -4.01 -1.18 0.00 5.02 5.36 -1.21 -2.21 117.98 119.75 1ya5 s PHE 58 Ca 0.21 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1ya5 s PHE 58 Cb 0.05 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.73 1ya5 s PHE 58 CO 0.01 -1.06 -0.10 -1.54 -1.46 0.00 0.00 175.22 171.07 1ya5 s SER 59 N 2.05 1.17 -1.53 6.13 1.04 -0.78 -4.85 113.70 116.93 1ya5 s SER 59 Ca 0.14 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 1ya5 s SER 59 Cb -0.10 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1ya5 s SER 59 CO -0.15 0.09 0.05 0.47 0.98 0.00 0.00 173.24 174.69 1ya5 n ASP 60 N 2.67 0.61 0.00 7.02 8.00 -1.26 -1.02 116.55 132.57 1ya5 n ASP 60 Ca -0.14 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1ya5 n ASP 60 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1ya5 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ya5 n GLY 61 N -2.55 1.06 3.52 0.44 0.00 -1.26 -4.99 105.19 101.42 1ya5 n GLY 61 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1ya5 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ya5 s ARG 62 N -0.11 3.33 0.08 1.61 3.00 -0.19 -1.62 118.95 125.05 1ya5 s ARG 62 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 55.73 55.47 1ya5 s ARG 62 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 34.95 30.93 1ya5 s ARG 62 CO 0.00 -1.19 0.15 0.00 0.00 0.00 0.00 175.30 174.26 1ya5 s ALA 63 N 3.27 3.77 -0.29 2.13 0.00 -0.07 -1.87 121.76 128.69 1ya5 s ALA 63 Ca 0.27 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1ya5 s ALA 63 Cb -0.13 -1.61 0.14 0.00 0.00 0.00 0.00 23.12 21.52 1ya5 s ALA 63 CO 0.20 0.75 0.95 0.21 0.00 0.00 0.00 175.76 177.87 1ya5 s LYS 64 N -2.54 0.40 -0.06 0.00 2.20 -0.94 -1.00 119.74 117.80 1ya5 s LYS 64 Ca 0.32 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.64 1ya5 s LYS 64 Cb -0.12 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1ya5 s LYS 64 CO 0.25 -0.09 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.92 1ya5 s LEU 65 N 1.37 1.29 -0.12 5.43 0.20 0.24 -1.64 118.68 125.45 1ya5 s LEU 65 Ca -0.09 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.55 1ya5 s LEU 65 Cb -0.04 -0.61 0.02 0.00 -0.43 0.00 0.00 46.19 45.13 1ya5 s LEU 65 CO -0.15 -0.06 -0.15 -0.89 -0.29 0.00 0.00 176.35 174.80 1ya5 s THR 66 N 1.12 1.54 -0.40 3.68 2.01 -1.12 0.82 115.64 123.28 1ya5 s THR 66 Ca -0.07 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.09 1ya5 s THR 66 Cb -0.14 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1ya5 s THR 66 CO -0.01 0.45 0.49 -0.63 -0.69 0.00 0.00 174.62 174.23 1ya5 s ILE 67 N 1.06 5.02 0.17 1.82 1.01 0.73 -1.90 121.20 129.11 1ya5 s ILE 67 Ca -0.05 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 1ya5 s ILE 67 Cb -0.15 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.35 1ya5 s ILE 67 CO -0.03 -0.40 1.59 -0.65 0.00 0.00 0.00 174.94 175.46 1ya5 h PRO 68 N 8.69 -0.22 -2.50 2.79 0.11 -1.85 -0.89 132.00 138.13 1ya5 h PRO 68 Ca -0.27 0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.26 1ya5 h PRO 68 Cb 1.11 0.05 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 1ya5 h PRO 68 CO 0.80 -0.15 -0.91 0.00 -0.21 0.00 0.00 178.00 177.54 1ya5 s ALA 69 N -5.98 1.68 0.54 -0.75 0.00 -1.25 -2.72 121.76 113.29 1ya5 s ALA 69 Ca -0.15 -2.58 -0.20 0.00 0.00 0.00 0.00 51.96 49.04 1ya5 s ALA 69 Cb 0.14 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1ya5 s ALA 69 CO 0.68 -2.00 0.89 1.33 0.00 0.00 0.00 175.76 176.66 1ya5 n VAL 70 N 2.87 3.04 -4.18 0.00 0.24 0.72 -4.49 118.33 116.53 1ya5 n VAL 70 Ca 0.26 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.81 1ya5 n VAL 70 Cb 0.45 -1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 31.68 1ya5 n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ya5 s THR 71 N -1.48 2.36 -0.22 3.34 -4.23 -1.26 -0.84 115.64 113.30 1ya5 s THR 71 Ca 0.71 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 59.75 1ya5 s THR 71 Cb -0.46 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 70.71 1ya5 s THR 71 CO 0.51 -0.03 1.83 0.11 -0.54 0.00 0.00 174.62 176.51 1ya5 h LYS 72 N 1.49 0.00 0.00 3.99 1.57 -1.95 -1.47 116.57 120.20 1ya5 h LYS 72 Ca -0.43 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 1ya5 h LYS 72 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1ya5 h LYS 72 CO 0.70 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 179.27 1ya5 h ALA 73 N 2.15 1.02 0.00 3.86 0.00 -1.97 -3.22 119.26 121.11 1ya5 h ALA 73 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ya5 h ALA 73 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ya5 h ALA 73 CO 0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1ya5 n ASN 74 N -3.51 0.38 -4.74 0.00 5.03 -0.55 -4.79 115.26 107.08 1ya5 n ASN 74 Ca -0.00 0.59 -0.42 0.00 0.87 0.00 0.00 54.58 55.62 1ya5 n ASN 74 Cb 0.47 -0.67 -0.02 0.00 -1.02 0.00 0.00 39.78 38.54 1ya5 n ASN 74 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1ya5 s SER 75 N -3.71 6.38 0.00 6.41 0.01 -1.22 -4.90 113.70 116.66 1ya5 s SER 75 Ca 0.06 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.24 1ya5 s SER 75 Cb 0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1ya5 s SER 75 CO 0.37 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1ya5 n GLY 76 N 2.97 -1.33 3.63 3.44 0.00 -0.85 -4.96 105.19 108.09 1ya5 n GLY 76 Ca 0.12 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1ya5 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ya5 s ARG 77 N -1.14 4.05 -0.14 1.61 0.52 -1.26 -0.52 118.95 122.06 1ya5 s ARG 77 Ca 0.00 0.84 -0.05 0.00 -0.52 0.00 0.00 55.73 56.00 1ya5 s ARG 77 Cb 0.00 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1ya5 s ARG 77 CO 0.00 -0.72 0.04 0.71 0.02 0.00 0.00 175.30 175.35 1ya5 s TYR 78 N 3.16 3.23 0.13 -0.53 1.51 0.20 -0.70 117.35 124.34 1ya5 s TYR 78 Ca 0.37 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.62 1ya5 s TYR 78 Cb -0.14 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1ya5 s TYR 78 CO 0.12 0.30 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.57 1ya5 s SER 79 N -0.22 2.39 -0.11 2.29 0.01 -0.20 -0.44 113.70 117.41 1ya5 s SER 79 Ca 0.07 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1ya5 s SER 79 Cb -0.12 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1ya5 s SER 79 CO 0.02 -0.05 -0.15 -0.22 0.41 0.00 0.00 173.24 173.25 1ya5 s LEU 80 N -2.39 1.72 -0.06 2.44 0.20 0.76 -1.14 118.68 120.21 1ya5 s LEU 80 Ca 0.11 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.50 1ya5 s LEU 80 Cb -0.07 -1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 44.57 1ya5 s LEU 80 CO 0.05 0.01 -0.04 -0.75 -0.29 0.00 0.00 176.35 175.33 1ya5 s LYS 81 N 1.03 2.82 -0.08 1.98 2.20 -0.03 -0.81 119.74 126.85 1ya5 s LYS 81 Ca -0.06 -0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1ya5 s LYS 81 Cb -0.15 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 1ya5 s LYS 81 CO -0.02 0.67 -0.04 0.00 -0.36 0.00 0.00 175.35 175.59 1ya5 s ALA 82 N -0.88 0.94 0.02 3.13 0.00 0.14 -1.44 121.76 123.67 1ya5 s ALA 82 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1ya5 s ALA 82 Cb -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1ya5 s ALA 82 CO 0.03 -0.28 -0.16 0.95 0.00 0.00 0.00 175.76 176.30 1ya5 s THR 83 N 1.50 1.27 0.00 0.00 -4.23 -0.35 0.14 115.64 113.98 1ya5 s THR 83 Ca -0.01 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1ya5 s THR 83 Cb -0.13 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.60 1ya5 s THR 83 CO -0.04 0.16 0.00 -0.46 -0.54 0.00 0.00 174.62 173.74 1ya5 n ASN 84 N 2.15 0.00 -0.21 3.99 0.23 -0.19 -0.24 115.26 121.00 1ya5 n ASN 84 Ca -0.17 -0.64 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1ya5 n ASN 84 Cb 0.54 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.49 1ya5 n ASN 84 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ya5 h GLY 85 N 0.00 1.04 0.95 4.83 0.00 -1.89 -2.68 103.07 105.33 1ya5 h GLY 85 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ya5 h GLY 85 CO 0.00 0.39 -0.03 1.44 0.00 0.00 0.00 176.54 178.34 1ya5 n SER 86 N -4.41 0.30 0.00 0.19 7.64 -1.26 -5.01 113.62 111.07 1ya5 n SER 86 Ca 0.08 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1ya5 n SER 86 Cb 0.05 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1ya5 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya5 n GLY 87 N 1.17 0.04 3.43 0.23 0.00 -1.01 -4.60 105.19 104.45 1ya5 n GLY 87 Ca 0.18 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 1ya5 n GLY 87 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ya5 s GLN 88 N -2.00 0.98 0.01 1.61 -2.07 -1.26 -1.02 119.66 115.91 1ya5 s GLN 88 Ca 0.00 0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 1ya5 s GLN 88 Cb 0.00 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 1ya5 s GLN 88 CO 0.00 -0.32 -0.03 0.00 -1.32 0.00 0.00 175.29 173.63 1ya5 s ALA 89 N -1.56 0.18 0.02 2.60 0.00 0.12 -4.91 121.76 118.22 1ya5 s ALA 89 Ca -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1ya5 s ALA 89 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1ya5 s ALA 89 CO 0.06 -0.06 -0.16 0.99 0.00 0.00 0.00 175.76 176.59 1ya5 s THR 90 N -0.80 1.28 -0.04 0.00 2.01 -1.26 0.23 115.64 117.06 1ya5 s THR 90 Ca -0.08 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1ya5 s THR 90 Cb -0.06 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1ya5 s THR 90 CO -0.00 0.16 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.38 1ya5 s SER 91 N -0.90 2.05 -0.01 3.53 0.15 0.01 -4.96 113.70 113.58 1ya5 s SER 91 Ca 0.04 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1ya5 s SER 91 Cb -0.07 -0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 1ya5 s SER 91 CO 0.01 0.13 -0.09 -0.89 1.20 0.00 0.00 173.24 173.60 1ya5 s THR 92 N 0.12 0.69 0.09 6.45 2.01 -1.26 -0.17 115.64 123.57 1ya5 s THR 92 Ca -0.05 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 1ya5 s THR 92 Cb -0.12 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1ya5 s THR 92 CO 0.02 0.18 0.38 0.00 -0.69 0.00 0.00 174.62 174.52 1ya5 s ALA 93 N -0.23 -0.88 0.13 7.40 0.00 0.41 -4.88 121.76 123.71 1ya5 s ALA 93 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1ya5 s ALA 93 Cb -0.03 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1ya5 s ALA 93 CO -0.00 -0.54 0.22 -1.21 0.00 0.00 0.00 175.76 174.22 1ya5 s GLU 94 N -3.22 3.27 -0.18 0.00 2.02 -1.26 0.59 118.70 119.92 1ya5 s GLU 94 Ca -0.01 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 1ya5 s GLU 94 Cb 0.01 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1ya5 s GLU 94 CO -0.08 0.54 -0.08 -1.17 0.02 0.00 0.00 175.26 174.49 1ya5 s LEU 95 N -2.97 2.85 -0.25 1.80 2.96 0.32 -0.38 118.68 123.00 1ya5 s LEU 95 Ca 0.33 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1ya5 s LEU 95 Cb -0.11 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.92 1ya5 s LEU 95 CO 0.27 0.07 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.09 1ya5 s LEU 96 N 0.90 3.24 -0.07 -0.68 2.96 0.40 -2.00 118.68 123.43 1ya5 s LEU 96 Ca -0.02 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 1ya5 s LEU 96 Cb -0.15 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1ya5 s LEU 96 CO 0.00 -0.14 0.29 -0.69 -1.32 0.00 0.00 176.35 174.49 1ya5 s VAL 97 N 1.29 5.26 0.07 1.68 1.01 -1.26 -0.82 120.40 127.63 1ya5 s VAL 97 Ca -0.01 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1ya5 s VAL 97 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1ya5 s VAL 97 CO -0.05 0.57 -0.17 -0.54 0.00 0.00 0.00 175.10 174.91 1ya5 s LYS 98 N -0.85 1.05 0.24 2.72 -0.14 0.42 -4.91 119.74 118.27 1ya5 s LYS 98 Ca 0.19 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.54 1ya5 s LYS 98 Cb -0.14 -1.15 -0.09 0.00 -1.68 0.00 0.00 37.83 34.76 1ya5 s LYS 98 CO 0.08 0.28 0.98 0.00 -0.76 0.00 0.00 175.35 175.93 1ya5 s ALA 99 N -1.04 3.35 -0.11 5.17 0.00 -1.26 0.10 121.76 127.97 1ya5 s ALA 99 Ca 0.03 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1ya5 s ALA 99 Cb -0.09 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ya5 s ALA 99 CO 0.02 0.10 1.25 -1.21 0.00 0.00 0.00 175.76 175.92 1ya5 s GLU 100 N -1.17 4.28 0.40 0.00 2.02 -1.26 -4.86 118.70 118.11 1ya5 s GLU 100 Ca 0.42 1.68 0.07 0.00 0.02 0.00 0.00 54.97 57.17 1ya5 s GLU 100 Cb -0.27 -3.68 -0.07 0.00 0.10 0.00 0.00 34.13 30.20 1ya5 s GLU 100 CO 0.34 -0.60 0.03 0.95 0.02 0.00 0.00 175.26 176.00 1ya5 s THR 101 N 2.95 2.07 -0.26 3.63 -4.23 -1.26 -4.75 115.64 113.79 1ya5 s THR 101 Ca 0.56 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1ya5 s THR 101 Cb -0.23 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.71 1ya5 s THR 101 CO 0.18 -0.02 0.63 0.00 -0.54 0.00 0.00 174.62 174.87 1ya5 s ALA 102 N -2.68 -1.71 0.68 3.99 0.00 0.25 -4.85 121.76 117.44 1ya5 s ALA 102 Ca 0.36 2.23 -0.16 0.00 0.00 0.00 0.00 51.96 54.39 1ya5 s ALA 102 Cb 0.08 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1ya5 s ALA 102 CO 0.19 -0.40 1.18 -1.25 0.00 0.00 0.00 175.76 175.48 1ya5 s PRO 103 N 1.69 2.48 0.27 0.00 0.04 -1.26 -1.11 135.00 137.10 1ya5 s PRO 103 Ca -0.10 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1ya5 s PRO 103 Cb -0.06 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 1ya5 s PRO 103 CO -0.18 -1.56 1.16 -2.30 0.04 0.00 0.00 177.00 174.16 1ya5 n PRO 104 N -2.42 1.58 -4.22 0.56 -0.02 -1.26 -4.52 135.00 124.70 1ya5 n PRO 104 Ca 0.13 0.56 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 1ya5 n PRO 104 Cb 0.51 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 1ya5 n PRO 104 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ya5 s ASN 105 N -0.24 0.89 -0.80 2.55 2.47 0.91 -4.60 114.94 116.13 1ya5 s ASN 105 Ca 0.63 -0.13 -0.19 0.00 0.42 0.00 0.00 52.86 53.59 1ya5 s ASN 105 Cb -0.70 -0.29 0.13 0.00 -1.45 0.00 0.00 41.25 38.95 1ya5 s ASN 105 CO 0.57 0.02 0.95 -0.36 -3.72 0.00 0.00 177.10 174.56 1ya5 s PHE 106 N 0.39 3.12 0.22 0.43 0.40 -1.26 -0.24 117.98 121.03 1ya5 s PHE 106 Ca -0.05 -1.25 -0.08 0.00 -0.60 0.00 0.00 56.93 54.95 1ya5 s PHE 106 Cb -0.09 -4.16 0.25 0.00 0.51 0.00 0.00 43.02 39.53 1ya5 s PHE 106 CO 0.00 -1.40 1.85 0.28 0.70 0.00 0.00 175.22 176.65 1ya5 h VAL 107 N 5.72 1.06 -3.11 -0.44 2.07 0.19 -3.38 116.25 118.36 1ya5 h VAL 107 Ca -0.02 -0.31 -0.67 0.00 0.82 0.00 0.00 66.70 66.53 1ya5 h VAL 107 Cb 1.05 0.09 -0.35 0.00 -1.52 0.00 0.00 31.29 30.56 1ya5 h VAL 107 CO 1.07 0.16 -0.85 -1.58 0.02 0.00 0.00 177.57 176.38 1ya5 s GLN 108 N -6.09 2.90 0.24 1.57 0.74 -0.72 -4.90 119.66 113.40 1ya5 s GLN 108 Ca -0.13 -0.85 -0.06 0.00 0.05 0.00 0.00 55.36 54.37 1ya5 s GLN 108 Cb 0.17 -2.56 -0.06 0.00 1.10 0.00 0.00 33.01 31.65 1ya5 s GLN 108 CO 0.78 -0.23 0.51 1.03 -0.55 0.00 0.00 175.29 176.82 1ya5 s ARG 109 N 1.29 3.68 0.43 1.67 0.52 -1.26 -1.55 118.95 123.73 1ya5 s ARG 109 Ca 0.04 0.06 -0.23 0.00 -0.52 0.00 0.00 55.73 55.08 1ya5 s ARG 109 Cb -0.13 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.53 1ya5 s ARG 109 CO -0.12 0.31 0.78 -0.11 0.02 0.00 0.00 175.30 176.17 1ya5 n LEU 110 N -0.46 1.39 -4.35 2.53 7.94 -1.26 -4.85 117.00 117.94 1ya5 n LEU 110 Ca -0.01 0.96 -0.28 0.00 -1.11 0.00 0.00 56.01 55.56 1ya5 n LEU 110 Cb 0.53 -1.24 -0.13 0.00 0.53 0.00 0.00 43.42 43.11 1ya5 n LEU 110 CO 0.47 -2.20 -0.56 -1.10 -1.11 0.00 0.00 177.39 172.90 1ya5 s GLN 111 N -1.85 1.47 0.26 1.96 -0.21 -1.26 -4.73 119.66 115.30 1ya5 s GLN 111 Ca 0.64 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 1ya5 s GLN 111 Cb -0.57 -1.82 -0.09 0.00 1.00 0.00 0.00 33.01 31.52 1ya5 s GLN 111 CO 0.57 0.45 0.94 -1.12 -2.12 0.00 0.00 175.29 174.01 1ya5 s SER 112 N -1.74 7.58 0.02 5.90 0.01 -1.26 -4.71 113.70 119.50 1ya5 s SER 112 Ca 0.12 1.94 -0.19 0.00 1.31 0.00 0.00 55.95 59.13 1ya5 s SER 112 Cb -0.10 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ya5 s SER 112 CO 0.04 0.11 0.41 0.00 0.41 0.00 0.00 173.24 174.21 1ya5 s MET 113 N -1.36 0.87 0.03 12.44 0.00 -0.58 -4.95 119.30 125.75 1ya5 s MET 113 Ca 0.43 -0.25 0.03 0.00 0.00 0.00 0.00 55.69 55.90 1ya5 s MET 113 Cb -0.25 0.39 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 1ya5 s MET 113 CO 0.31 -0.28 -0.03 0.95 0.00 0.00 0.00 175.02 175.97 1ya5 s THR 114 N -2.02 3.90 0.18 3.16 -4.23 -1.26 -1.70 115.64 113.68 1ya5 s THR 114 Ca -0.08 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1ya5 s THR 114 Cb -0.02 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1ya5 s THR 114 CO 0.01 0.29 0.20 0.68 -0.54 0.00 0.00 174.62 175.26 1ya5 s VAL 115 N -1.13 0.04 -0.15 2.29 -7.23 0.78 -4.96 120.40 110.05 1ya5 s VAL 115 Ca 0.21 -1.74 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 1ya5 s VAL 115 Cb -0.11 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1ya5 s VAL 115 CO 0.12 -0.18 0.50 -0.13 -0.31 0.00 0.00 175.10 175.09 1ya5 s ARG 116 N -4.07 4.28 0.33 4.82 1.81 -1.26 0.72 118.95 125.58 1ya5 s ARG 116 Ca 0.28 0.45 -0.27 0.00 -1.72 0.00 0.00 55.73 54.46 1ya5 s ARG 116 Cb 0.05 -3.49 -0.13 0.00 -0.45 0.00 0.00 34.95 30.93 1ya5 s ARG 116 CO 0.06 0.03 0.97 0.00 -0.68 0.00 0.00 175.30 175.68 1ya5 n GLN 117 N 4.13 1.28 0.00 3.54 10.64 -1.13 -2.41 117.38 133.43 1ya5 n GLN 117 Ca -0.06 0.45 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1ya5 n GLN 117 Cb 0.51 -1.85 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 1ya5 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ya5 n GLY 118 N 1.26 2.75 3.89 2.61 0.00 -0.17 -5.00 105.19 110.52 1ya5 n GLY 118 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1ya5 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ya5 s SER 119 N -0.81 5.85 0.38 1.61 1.04 -1.01 -4.46 113.70 116.31 1ya5 s SER 119 Ca 0.00 1.16 -0.25 0.00 0.48 0.00 0.00 55.95 57.34 1ya5 s SER 119 Cb 0.00 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.89 1ya5 s SER 119 CO 0.00 -1.04 1.05 -1.58 0.98 0.00 0.00 173.24 172.65 1ya5 s GLN 120 N -5.17 4.25 -0.12 4.02 0.74 -1.25 -1.37 119.66 120.75 1ya5 s GLN 120 Ca 0.55 1.55 -0.02 0.00 0.05 0.00 0.00 55.36 57.50 1ya5 s GLN 120 Cb -0.11 -2.65 0.04 0.00 1.10 0.00 0.00 33.01 31.39 1ya5 s GLN 120 CO 0.51 -0.08 -0.00 0.08 -0.55 0.00 0.00 175.29 175.25 1ya5 s VAL 121 N -1.58 0.57 -0.34 1.34 1.01 -0.12 -4.92 120.40 116.35 1ya5 s VAL 121 Ca 0.56 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1ya5 s VAL 121 Cb -0.23 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1ya5 s VAL 121 CO 0.29 0.11 0.19 -0.13 0.00 0.00 0.00 175.10 175.57 1ya5 s ARG 122 N 1.87 3.21 -0.36 2.72 0.52 -1.26 -0.18 118.95 125.47 1ya5 s ARG 122 Ca 0.03 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.31 1ya5 s ARG 122 Cb -0.14 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.67 1ya5 s ARG 122 CO -0.07 -0.52 0.20 -0.51 0.02 0.00 0.00 175.30 174.42 1ya5 s LEU 123 N 1.62 4.63 0.22 2.53 1.02 0.08 -4.94 118.68 123.84 1ya5 s LEU 123 Ca 0.04 -0.94 0.10 0.00 0.02 0.00 0.00 54.13 53.35 1ya5 s LEU 123 Cb -0.18 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 43.97 1ya5 s LEU 123 CO 0.07 -0.36 -0.20 -1.10 0.02 0.00 0.00 176.35 174.79 1ya5 s GLN 124 N 1.55 1.50 0.02 1.70 -0.21 -1.26 -1.23 119.66 121.74 1ya5 s GLN 124 Ca 0.02 -1.61 -0.10 0.00 0.02 0.00 0.00 55.36 53.69 1ya5 s GLN 124 Cb -0.19 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.23 1ya5 s GLN 124 CO 0.06 0.31 0.20 0.14 -2.12 0.00 0.00 175.29 173.88 1ya5 s VAL 125 N -2.29 0.09 -0.17 1.09 -7.23 -0.43 -4.05 120.40 107.41 1ya5 s VAL 125 Ca 0.24 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1ya5 s VAL 125 Cb -0.05 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1ya5 s VAL 125 CO 0.11 -0.42 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.15 1ya5 s ARG 126 N -2.02 3.02 -0.06 4.82 0.52 -0.60 -0.94 118.95 123.69 1ya5 s ARG 126 Ca -0.09 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1ya5 s ARG 126 Cb -0.04 -2.56 -0.00 0.00 0.52 0.00 0.00 34.95 32.87 1ya5 s ARG 126 CO -0.01 -0.16 -0.21 0.08 0.02 0.00 0.00 175.30 175.03 1ya5 s VAL 127 N 1.17 1.72 0.28 3.52 1.01 -0.71 0.93 120.40 128.33 1ya5 s VAL 127 Ca 0.02 -0.87 0.12 0.00 0.00 0.00 0.00 61.98 61.24 1ya5 s VAL 127 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1ya5 s VAL 127 CO -0.10 0.49 -0.17 0.42 0.00 0.00 0.00 175.10 175.74 1ya5 s THR 128 N 0.03 2.57 0.00 3.92 -4.23 0.66 -4.77 115.64 113.82 1ya5 s THR 128 Ca -0.06 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.10 1ya5 s THR 128 Cb -0.13 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1ya5 s THR 128 CO 0.04 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1ya5 n GLY 129 N -0.66 3.08 2.79 3.99 0.00 -1.26 -0.06 105.19 113.07 1ya5 n GLY 129 Ca -0.05 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1ya5 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya5 s ILE 130 N -1.55 0.56 1.09 -0.61 1.01 -0.27 -2.98 121.20 118.45 1ya5 s ILE 130 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1ya5 s ILE 130 Cb 0.00 -0.79 0.23 0.00 0.01 0.00 0.00 42.46 41.91 1ya5 s ILE 130 CO 0.00 0.14 1.08 -2.84 0.00 0.00 0.00 174.94 173.32 1ya5 s PRO 131 N 1.88 -0.29 -0.08 2.79 0.02 -1.26 0.85 135.00 138.91 1ya5 s PRO 131 Ca 0.03 0.43 -0.31 0.00 0.02 0.00 0.00 61.00 61.17 1ya5 s PRO 131 Cb -0.14 -1.66 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 1ya5 s PRO 131 CO -0.07 -3.20 2.02 2.41 -0.33 0.00 0.00 177.00 177.84 1ya5 n THR 132 N -4.49 0.60 -1.84 0.99 -1.04 -1.16 -4.84 114.28 102.50 1ya5 n THR 132 Ca 0.06 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 1ya5 n THR 132 Cb 0.57 -2.22 0.04 0.00 -1.82 0.00 0.00 70.33 66.90 1ya5 n THR 132 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ya5 s PRO 133 N 4.90 3.16 0.12 -2.82 0.04 -1.26 -4.85 135.00 134.28 1ya5 s PRO 133 Ca 0.94 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.84 1ya5 s PRO 133 Cb -0.51 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 1ya5 s PRO 133 CO 0.44 -1.15 1.03 0.08 0.04 0.00 0.00 177.00 177.44 1ya5 s VAL 134 N -1.35 4.29 -0.08 -0.36 1.01 0.16 -4.76 120.40 119.31 1ya5 s VAL 134 Ca 0.72 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.60 1ya5 s VAL 134 Cb -0.39 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1ya5 s VAL 134 CO 0.45 0.27 -0.23 -0.69 0.00 0.00 0.00 175.10 174.90 1ya5 s VAL 135 N 0.14 2.24 -0.02 2.92 1.01 -1.26 0.13 120.40 125.56 1ya5 s VAL 135 Ca 0.49 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1ya5 s VAL 135 Cb -0.26 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ya5 s VAL 135 CO 0.31 0.56 0.04 -0.54 0.00 0.00 0.00 175.10 175.47 1ya5 s LYS 136 N 0.04 0.04 0.05 2.72 1.02 -0.64 -4.99 119.74 117.96 1ya5 s LYS 136 Ca -0.09 0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1ya5 s LYS 136 Cb -0.15 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1ya5 s LYS 136 CO 0.06 -0.02 0.07 -0.06 -0.92 0.00 0.00 175.35 174.47 1ya5 s PHE 137 N 0.12 3.20 0.01 3.18 0.40 -1.26 -1.86 117.98 121.77 1ya5 s PHE 137 Ca -0.01 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1ya5 s PHE 137 Cb -0.01 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 1ya5 s PHE 137 CO -0.00 0.52 -0.02 0.71 0.70 0.00 0.00 175.22 177.13 1ya5 s TYR 138 N -1.29 0.13 -0.19 0.36 1.51 -0.11 0.82 117.35 118.58 1ya5 s TYR 138 Ca 0.26 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1ya5 s TYR 138 Cb -0.12 -0.09 0.03 0.00 -0.11 0.00 0.00 41.96 41.67 1ya5 s TYR 138 CO 0.18 -0.08 -0.15 0.50 -1.11 0.00 0.00 175.55 174.89 1ya5 s ARG 139 N -0.62 2.52 -1.52 -0.62 3.52 -0.50 -0.64 118.95 121.08 1ya5 s ARG 139 Ca -0.07 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 54.54 1ya5 s ARG 139 Cb -0.04 -2.52 0.08 0.00 -1.56 0.00 0.00 34.95 30.90 1ya5 s ARG 139 CO -0.00 -0.33 0.83 -0.25 -0.81 0.00 0.00 175.30 174.73 1ya5 n ASP 140 N 4.62 -3.35 0.00 -2.12 9.92 0.22 -2.07 116.55 123.77 1ya5 n ASP 140 Ca -0.18 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1ya5 n ASP 140 Cb 0.48 -3.55 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 1ya5 n ASP 140 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ya5 n GLY 141 N -1.65 1.87 3.85 0.44 0.00 -1.26 -5.01 105.19 103.42 1ya5 n GLY 141 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1ya5 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya5 s ALA 142 N -2.96 3.82 0.21 4.61 0.00 -0.88 -5.06 121.76 121.50 1ya5 s ALA 142 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1ya5 s ALA 142 Cb 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1ya5 s ALA 142 CO 0.00 0.54 1.08 -2.00 0.00 0.00 0.00 175.76 175.38 1ya5 s GLU 143 N -0.79 4.64 -0.29 0.00 2.12 -1.26 -1.40 118.70 121.72 1ya5 s GLU 143 Ca 0.14 1.71 -0.11 0.00 0.36 0.00 0.00 54.97 57.06 1ya5 s GLU 143 Cb -0.12 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1ya5 s GLU 143 CO 0.03 0.16 0.20 0.42 -0.54 0.00 0.00 175.26 175.53 1ya5 s ILE 144 N -0.56 5.30 0.08 -3.70 1.01 0.24 -4.92 121.20 118.65 1ya5 s ILE 144 Ca 0.47 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.30 1ya5 s ILE 144 Cb -0.29 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ya5 s ILE 144 CO 0.36 0.22 0.13 -1.10 0.00 0.00 0.00 174.94 174.55 1ya5 s GLN 145 N 1.77 3.06 0.16 2.79 -0.21 -1.26 -4.27 119.66 121.70 1ya5 s GLN 145 Ca 0.07 -0.63 -0.33 0.00 0.02 0.00 0.00 55.36 54.49 1ya5 s GLN 145 Cb -0.16 -2.82 -0.16 0.00 1.00 0.00 0.00 33.01 30.87 1ya5 s GLN 145 CO 0.11 0.57 1.15 0.45 -2.12 0.00 0.00 175.29 175.45 1ya5 n SER 146 N 0.32 1.22 -3.69 5.90 2.88 -1.26 -4.92 113.62 114.08 1ya5 n SER 146 Ca -0.07 1.14 -0.10 0.00 -1.33 0.00 0.00 58.87 58.51 1ya5 n SER 146 Cb 0.52 -1.19 -0.04 0.00 -0.75 0.00 0.00 64.21 62.75 1ya5 n SER 146 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ya5 s SER 147 N -0.01 0.13 0.12 -3.46 1.04 -0.39 -4.97 113.70 106.17 1ya5 s SER 147 Ca 0.74 -1.06 -0.16 0.00 0.48 0.00 0.00 55.95 55.96 1ya5 s SER 147 Cb -0.88 0.65 0.05 0.00 0.10 0.00 0.00 66.02 65.94 1ya5 s SER 147 CO 0.52 -1.26 0.98 -0.11 0.98 0.00 0.00 173.24 174.35 1ya5 n LEU 148 N -0.45 -0.55 0.13 2.42 7.94 -1.26 -2.07 117.00 123.16 1ya5 n LEU 148 Ca -0.02 1.12 0.05 0.00 -1.11 0.00 0.00 56.01 56.05 1ya5 n LEU 148 Cb 0.61 -0.20 0.03 0.00 0.53 0.00 0.00 43.42 44.40 1ya5 n LEU 148 CO 0.24 -0.95 0.34 0.44 -1.11 0.00 0.00 177.39 176.35 1ya5 h ASP 149 N 0.00 0.00 -2.73 1.96 5.19 -1.96 -3.39 116.42 115.49 1ya5 h ASP 149 Ca 0.16 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.97 1ya5 h ASP 149 Cb 0.32 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.43 1ya5 h ASP 149 CO -0.61 0.34 -0.84 -0.36 -3.12 0.00 0.00 179.24 174.65 1ya5 s PHE 150 N -3.06 1.71 -0.30 4.55 0.40 -0.88 -1.29 117.98 119.10 1ya5 s PHE 150 Ca 0.03 -2.47 -0.14 0.00 -0.60 0.00 0.00 56.93 53.75 1ya5 s PHE 150 Cb 0.07 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1ya5 s PHE 150 CO 0.75 -0.76 0.30 1.14 0.70 0.00 0.00 175.22 177.35 1ya5 s GLN 151 N -0.09 3.80 0.15 0.44 -2.07 0.35 -1.26 119.66 120.99 1ya5 s GLN 151 Ca 0.27 -0.28 -0.12 0.00 -1.82 0.00 0.00 55.36 53.41 1ya5 s GLN 151 Cb -0.06 -3.72 -0.07 0.00 -1.09 0.00 0.00 33.01 28.08 1ya5 s GLN 151 CO -0.14 -0.34 0.52 0.42 -1.32 0.00 0.00 175.29 174.43 1ya5 s ILE 152 N 1.92 4.93 -0.29 3.63 1.01 -1.26 -0.94 121.20 130.20 1ya5 s ILE 152 Ca 0.11 0.66 -0.21 0.00 0.00 0.00 0.00 60.65 61.20 1ya5 s ILE 152 Cb -0.16 -3.69 0.14 0.00 0.01 0.00 0.00 42.46 38.76 1ya5 s ILE 152 CO 0.11 0.17 1.04 -0.94 0.00 0.00 0.00 174.94 175.33 1ya5 s SER 153 N -1.89 -0.44 -0.02 3.58 1.04 -1.06 -4.96 113.70 109.95 1ya5 s SER 153 Ca 0.39 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.62 1ya5 s SER 153 Cb -0.14 0.96 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 1ya5 s SER 153 CO 0.19 -0.13 -0.05 0.00 0.98 0.00 0.00 173.24 174.24 1ya5 s GLN 154 N 0.68 2.69 -0.42 4.02 -2.07 -1.26 -1.98 119.66 121.33 1ya5 s GLN 154 Ca -0.02 -0.63 0.02 0.00 -1.82 0.00 0.00 55.36 52.92 1ya5 s GLN 154 Cb -0.04 -2.59 0.12 0.00 -1.09 0.00 0.00 33.01 29.41 1ya5 s GLN 154 CO -0.11 0.63 0.19 -1.21 -1.32 0.00 0.00 175.29 173.48 1ya5 s GLU 155 N -1.25 1.31 7.30 9.60 0.41 0.12 -4.97 118.70 131.21 1ya5 s GLU 155 Ca 0.16 -1.91 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 1ya5 s GLU 155 Cb -0.11 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 1ya5 s GLU 155 CO 0.06 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.15 1ya5 n GLY 156 N 3.81 2.80 0.86 -1.39 0.00 -1.26 -2.14 105.19 107.87 1ya5 n GLY 156 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1ya5 n GLY 156 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya5 n ASP 157 N 9.76 2.94 -4.63 1.61 5.75 -1.26 -4.88 116.55 125.84 1ya5 n ASP 157 Ca 0.00 -1.86 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 1ya5 n ASP 157 Cb 0.00 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 1ya5 n ASP 157 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ya5 s LEU 158 N -1.28 4.08 -0.13 -2.12 2.96 -0.91 -1.74 118.68 119.54 1ya5 s LEU 158 Ca 0.28 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1ya5 s LEU 158 Cb 0.17 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1ya5 s LEU 158 CO 0.24 -0.33 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.51 1ya5 s TYR 159 N 2.32 2.84 0.02 5.38 1.51 -0.12 0.12 117.35 129.43 1ya5 s TYR 159 Ca 0.26 -0.62 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1ya5 s TYR 159 Cb -0.16 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1ya5 s TYR 159 CO 0.09 -0.20 -0.23 -1.12 -1.11 0.00 0.00 175.55 172.98 1ya5 s SER 160 N 0.37 2.69 -0.18 2.29 0.01 -0.84 -1.31 113.70 116.74 1ya5 s SER 160 Ca -0.10 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 56.60 1ya5 s SER 160 Cb -0.16 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1ya5 s SER 160 CO 0.05 0.22 0.02 -0.22 0.41 0.00 0.00 173.24 173.72 1ya5 s LEU 161 N -0.97 3.50 -0.34 2.44 2.96 -0.36 -2.57 118.68 123.34 1ya5 s LEU 161 Ca 0.09 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1ya5 s LEU 161 Cb -0.09 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 44.78 1ya5 s LEU 161 CO 0.01 0.14 0.09 -0.22 -1.32 0.00 0.00 176.35 175.05 1ya5 s LEU 162 N 0.58 4.38 -0.51 -0.68 2.96 -0.12 -0.74 118.68 124.54 1ya5 s LEU 162 Ca 0.01 -1.39 -0.24 0.00 -0.22 0.00 0.00 54.13 52.28 1ya5 s LEU 162 Cb -0.14 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1ya5 s LEU 162 CO 0.02 -0.35 0.90 -0.63 -1.32 0.00 0.00 176.35 174.97 1ya5 s ILE 163 N 1.29 4.46 0.20 6.68 1.01 0.74 -0.49 121.20 135.09 1ya5 s ILE 163 Ca -0.01 0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 1ya5 s ILE 163 Cb -0.20 -4.47 0.12 0.00 0.01 0.00 0.00 42.46 37.91 1ya5 s ILE 163 CO -0.00 -0.97 1.84 0.00 0.00 0.00 0.00 174.94 175.80 1ya5 h ALA 164 N 9.19 0.83 -2.63 9.38 0.00 -1.47 -0.31 119.26 134.25 1ya5 h ALA 164 Ca -0.25 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.07 1ya5 h ALA 164 Cb 1.08 -0.20 -0.39 0.00 0.00 0.00 0.00 17.79 18.28 1ya5 h ALA 164 CO 1.05 0.14 -0.83 -2.00 0.00 0.00 0.00 179.25 177.61 1ya5 s GLU 165 N -6.12 0.48 0.50 0.00 2.12 -1.26 -3.78 118.70 110.63 1ya5 s GLU 165 Ca -0.13 -1.17 -0.23 0.00 0.36 0.00 0.00 54.97 53.81 1ya5 s GLU 165 Cb 0.14 -1.28 -0.07 0.00 0.26 0.00 0.00 34.13 33.19 1ya5 s GLU 165 CO 0.76 -1.17 1.27 0.00 -0.54 0.00 0.00 175.26 175.58 1ya5 n ALA 166 N 4.29 1.29 -2.17 6.30 0.00 -0.47 -4.78 120.51 124.96 1ya5 n ALA 166 Ca 0.08 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1ya5 n ALA 166 Cb 0.38 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.44 1ya5 n ALA 166 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ya5 s TYR 167 N -1.28 0.95 0.55 0.00 1.51 -1.26 -1.00 117.35 116.82 1ya5 s TYR 167 Ca 0.67 -1.19 0.23 0.00 -1.01 0.00 0.00 57.07 55.77 1ya5 s TYR 167 Cb -0.45 -0.54 1.46 0.00 -0.11 0.00 0.00 41.96 42.32 1ya5 s TYR 167 CO 0.53 -0.45 2.13 -1.35 -1.11 0.00 0.00 175.55 175.30 1ya5 h PRO 168 N 2.82 0.00 0.00 -1.71 0.11 -1.76 -0.66 132.00 130.80 1ya5 h PRO 168 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1ya5 h PRO 168 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ya5 h PRO 168 CO 0.60 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.24 1ya5 h GLU 169 N 0.00 0.00 -0.19 1.05 3.07 -1.96 -1.77 114.58 114.79 1ya5 h GLU 169 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1ya5 h GLU 169 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1ya5 h GLU 169 CO -0.00 0.08 0.00 -0.25 -1.40 0.00 0.00 179.01 177.44 1ya5 n ASP 170 N -4.18 1.51 -4.75 1.42 8.00 -0.26 -4.87 116.55 113.43 1ya5 n ASP 170 Ca -0.03 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.35 1ya5 n ASP 170 Cb 0.17 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1ya5 n ASP 170 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ya5 s SER 171 N -1.43 5.13 0.00 -2.24 0.01 -0.67 -4.88 113.70 109.62 1ya5 s SER 171 Ca 0.29 2.60 0.00 0.00 1.31 0.00 0.00 55.95 60.15 1ya5 s SER 171 Cb 0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1ya5 s SER 171 CO 0.23 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.84 1ya5 n GLY 172 N 0.71 -1.26 3.56 3.44 0.00 0.11 -4.99 105.19 106.77 1ya5 n GLY 172 Ca 0.12 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1ya5 n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya5 s THR 173 N -3.00 4.85 -0.11 2.61 2.01 -1.26 -0.27 115.64 120.47 1ya5 s THR 173 Ca 0.00 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1ya5 s THR 173 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1ya5 s THR 173 CO 0.00 -0.38 0.24 -0.31 -0.69 0.00 0.00 174.62 173.48 1ya5 s TYR 174 N 2.79 3.58 -0.05 4.92 1.51 -0.29 -0.61 117.35 129.20 1ya5 s TYR 174 Ca 0.25 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.98 1ya5 s TYR 174 Cb -0.14 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1ya5 s TYR 174 CO 0.16 0.55 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.88 1ya5 s SER 175 N -0.55 1.94 -0.13 2.29 0.01 0.18 -1.23 113.70 116.21 1ya5 s SER 175 Ca 0.17 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1ya5 s SER 175 Cb -0.13 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.44 1ya5 s SER 175 CO 0.06 0.11 -0.14 -0.69 0.41 0.00 0.00 173.24 172.99 1ya5 s VAL 176 N 0.23 2.99 -0.18 3.43 1.01 0.58 -0.94 120.40 127.52 1ya5 s VAL 176 Ca -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1ya5 s VAL 176 Cb -0.12 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1ya5 s VAL 176 CO 0.03 0.53 -0.13 0.21 0.00 0.00 0.00 175.10 175.74 1ya5 s ASN 177 N 0.35 3.76 -0.16 3.32 2.47 -0.78 -0.07 114.94 123.83 1ya5 s ASN 177 Ca -0.11 -0.48 -0.04 0.00 0.42 0.00 0.00 52.86 52.64 1ya5 s ASN 177 Cb -0.16 -1.60 -0.03 0.00 -1.45 0.00 0.00 41.25 38.01 1ya5 s ASN 177 CO 0.06 0.03 -0.02 0.00 -3.72 0.00 0.00 177.10 173.45 1ya5 s ALA 178 N 1.16 3.05 -0.00 1.71 0.00 0.58 -1.63 121.76 126.63 1ya5 s ALA 178 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1ya5 s ALA 178 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 1ya5 s ALA 178 CO -0.05 0.17 -0.06 0.99 0.00 0.00 0.00 175.76 176.81 1ya5 s THR 179 N 0.44 0.49 0.12 0.00 2.01 0.12 -1.37 115.64 117.44 1ya5 s THR 179 Ca -0.03 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1ya5 s THR 179 Cb -0.14 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1ya5 s THR 179 CO 0.03 0.12 0.16 -0.46 -0.69 0.00 0.00 174.62 173.77 1ya5 n ASN 180 N 2.87 -0.43 0.30 3.53 0.23 -0.84 0.37 115.26 121.28 1ya5 n ASN 180 Ca -0.13 -1.67 0.18 0.00 -0.53 0.00 0.00 54.58 52.44 1ya5 n ASN 180 Cb 0.58 0.83 0.94 0.00 -2.08 0.00 0.00 39.78 40.04 1ya5 n ASN 180 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ya5 h SER 181 N 0.68 0.00 -0.00 0.53 4.64 -1.92 -3.06 113.55 114.42 1ya5 h SER 181 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ya5 h SER 181 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ya5 h SER 181 CO 0.13 0.03 -0.17 1.33 -0.87 0.00 0.00 176.83 177.27 1ya5 n VAL 182 N -3.27 0.00 -3.61 0.95 0.24 -1.26 -5.07 118.33 106.31 1ya5 n VAL 182 Ca -0.02 -0.41 0.01 0.00 -2.04 0.00 0.00 64.34 61.88 1ya5 n VAL 182 Cb 0.18 1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.61 1ya5 n VAL 182 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ya5 s GLY 183 N -1.18 -0.42 0.06 7.63 0.00 -1.16 -4.75 107.32 107.51 1ya5 s GLY 183 Ca 0.05 0.86 0.08 0.00 0.00 0.00 0.00 44.72 45.71 1ya5 s GLY 183 CO 0.19 0.18 -0.22 0.50 0.00 0.00 0.00 173.10 173.75 1ya5 s ARG 184 N -2.33 1.41 0.00 2.90 3.00 -1.26 -1.99 118.95 120.67 1ya5 s ARG 184 Ca 0.14 -1.03 0.02 0.00 0.00 0.00 0.00 55.73 54.85 1ya5 s ARG 184 Cb 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 34.95 33.40 1ya5 s ARG 184 CO -0.04 0.40 -0.05 0.00 0.00 0.00 0.00 175.30 175.60 1ya5 s ALA 185 N -0.88 0.41 -0.04 2.13 0.00 -0.47 -4.81 121.76 118.10 1ya5 s ALA 185 Ca 0.08 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1ya5 s ALA 185 Cb -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1ya5 s ALA 185 CO 0.03 0.08 -0.11 -0.08 0.00 0.00 0.00 175.76 175.68 1ya5 s THR 186 N -0.25 0.96 -0.11 0.00 -1.32 -1.26 -0.31 115.64 113.35 1ya5 s THR 186 Ca 0.01 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1ya5 s THR 186 Cb -0.03 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1ya5 s THR 186 CO -0.00 0.30 -0.19 -0.55 -2.21 0.00 0.00 174.62 171.97 1ya5 s SER 187 N 0.35 3.56 0.07 8.08 0.15 0.90 -4.96 113.70 121.86 1ya5 s SER 187 Ca -0.07 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.23 1ya5 s SER 187 Cb -0.11 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1ya5 s SER 187 CO 0.02 0.18 -0.20 0.42 1.20 0.00 0.00 173.24 174.86 1ya5 s THR 188 N 0.23 1.61 0.12 6.45 -4.23 -1.26 -0.30 115.64 118.26 1ya5 s THR 188 Ca -0.12 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 1ya5 s THR 188 Cb -0.16 -1.44 0.05 0.00 1.34 0.00 0.00 72.50 72.29 1ya5 s THR 188 CO 0.07 0.05 0.47 0.00 -0.54 0.00 0.00 174.62 174.67 1ya5 s ALA 189 N -0.98 -1.16 -0.15 3.99 0.00 -0.37 -4.90 121.76 118.18 1ya5 s ALA 189 Ca 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1ya5 s ALA 189 Cb -0.09 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1ya5 s ALA 189 CO 0.03 -0.64 0.16 -2.00 0.00 0.00 0.00 175.76 173.30 1ya5 s GLU 190 N -3.50 3.83 -0.16 0.00 2.12 -1.26 -1.14 118.70 118.60 1ya5 s GLU 190 Ca 0.01 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.21 1ya5 s GLU 190 Cb 0.01 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.10 1ya5 s GLU 190 CO -0.10 0.53 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.80 1ya5 s LEU 191 N -0.34 2.26 -0.23 2.70 2.96 0.63 -1.53 118.68 125.14 1ya5 s LEU 191 Ca 0.12 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1ya5 s LEU 191 Cb -0.12 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.12 1ya5 s LEU 191 CO 0.02 0.06 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.75 1ya5 s LEU 192 N 0.94 2.88 -0.14 -0.68 2.96 -0.69 0.10 118.68 124.05 1ya5 s LEU 192 Ca -0.04 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 1ya5 s LEU 192 Cb -0.15 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1ya5 s LEU 192 CO -0.04 -0.13 0.40 0.68 -1.32 0.00 0.00 176.35 175.94 1ya5 s VAL 193 N 1.20 5.24 0.00 1.68 -7.23 -1.26 -0.15 120.40 119.88 1ya5 s VAL 193 Ca -0.04 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1ya5 s VAL 193 Cb -0.17 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1ya5 s VAL 193 CO -0.08 0.34 0.00 0.00 -0.31 0.00 0.00 175.10 175.05 1ya5 n GLN 194 N 3.74 0.20 -2.01 4.82 6.02 0.22 -4.36 117.38 126.01 1ya5 n GLN 194 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.88 1ya5 n GLN 194 Cb 0.52 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.78 1ya5 n GLN 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ya5 n GLY 195 N 5.00 1.41 3.50 1.08 0.00 -1.26 -2.82 105.19 112.10 1ya5 n GLY 195 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ya5 n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ya5 s GLU 196 N -2.02 0.33 -0.23 1.61 2.02 -1.26 -4.95 118.70 114.20 1ya5 s GLU 196 Ca 0.06 0.71 -0.18 0.00 0.02 0.00 0.00 54.97 55.59 1ya5 s GLU 196 Cb -0.01 0.31 0.06 0.00 0.10 0.00 0.00 34.13 34.59 1ya5 s GLU 196 CO 0.03 -0.09 0.58 -0.08 0.02 0.00 0.00 175.26 175.72 1ya5 s THR 197 N 2.02 -0.00 -2.36 3.63 -1.32 -1.26 -5.14 115.64 111.21 1ya5 s THR 197 Ca -0.05 0.02 0.19 0.00 -1.21 0.00 0.00 61.69 60.63 1ya5 s THR 197 Cb -0.05 -0.82 0.15 0.00 -1.51 0.00 0.00 72.50 70.26 1ya5 s THR 197 CO -0.16 0.01 1.10 -1.14 -2.21 0.00 0.00 174.62 172.21