#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auy s GLU 2 N 0.00 3.56 -0.18 0.03 -1.05 -1.26 -5.09 118.70 114.71 1auy s GLU 2 Ca 0.00 -0.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.50 1auy s GLU 2 Cb 0.00 -2.81 -0.04 0.00 -0.44 0.00 0.00 34.13 30.84 1auy s GLU 2 CO 0.00 0.38 0.09 0.42 0.95 0.00 0.00 175.26 177.11 1auy s ILE 3 N -1.86 5.08 -1.24 1.83 1.09 -1.26 -5.00 121.20 119.84 1auy s ILE 3 Ca 0.40 0.07 -0.17 0.00 -1.10 0.00 0.00 60.65 59.85 1auy s ILE 3 Cb -0.11 -3.29 -0.02 0.00 -1.06 0.00 0.00 42.46 37.98 1auy s ILE 3 CO 0.28 0.48 2.09 -0.67 -0.10 0.00 0.00 174.94 177.01 1auy n ASP 4 N 3.31 3.57 -3.65 3.58 2.03 -1.26 -4.75 116.55 119.39 1auy n ASP 4 Ca -0.17 -2.80 -0.11 0.00 0.52 0.00 0.00 54.79 52.23 1auy n ASP 4 Cb 0.52 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.33 1auy n ASP 4 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1auy s LYS 5 N 3.93 0.74 0.01 -0.67 2.47 -1.26 -4.59 119.74 120.37 1auy s LYS 5 Ca 0.51 1.03 0.04 0.00 -1.56 0.00 0.00 55.97 55.99 1auy s LYS 5 Cb 0.13 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.77 1auy s LYS 5 CO -0.01 -0.12 -0.13 -2.00 0.16 0.00 0.00 175.35 173.26 1auy s GLU 6 N 0.83 0.99 -0.10 4.03 2.12 -0.36 -4.97 118.70 121.24 1auy s GLU 6 Ca -0.04 -0.54 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 1auy s GLU 6 Cb -0.05 -0.96 -0.03 0.00 0.26 0.00 0.00 34.13 33.35 1auy s GLU 6 CO -0.07 0.26 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.32 1auy s LEU 7 N -0.56 3.04 -0.49 2.70 1.43 -1.26 -1.24 118.68 122.30 1auy s LEU 7 Ca 0.04 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1auy s LEU 7 Cb -0.06 -1.68 0.21 0.00 0.03 0.00 0.00 46.19 44.69 1auy s LEU 7 CO 0.00 0.27 0.49 0.00 0.23 0.00 0.00 176.35 177.34 1auy n ALA 8 N 2.82 3.01 -1.77 4.21 0.00 -0.94 -4.93 120.51 122.90 1auy n ALA 8 Ca -0.18 -3.70 -0.40 0.00 0.00 0.00 0.00 53.44 49.15 1auy n ALA 8 Cb 0.53 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.15 1auy n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1auy s PRO 9 N -0.99 3.85 0.12 0.00 0.04 -1.26 -4.52 135.00 132.25 1auy s PRO 9 Ca 0.33 2.52 -0.27 0.00 0.04 0.00 0.00 61.00 63.63 1auy s PRO 9 Cb 0.08 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1auy s PRO 9 CO -0.14 -0.72 0.83 -1.14 0.04 0.00 0.00 177.00 175.87 1auy s GLN 10 N -2.31 4.60 0.34 4.56 0.74 -1.26 -5.02 119.66 121.32 1auy s GLN 10 Ca 0.58 1.22 -0.29 0.00 0.05 0.00 0.00 55.36 56.92 1auy s GLN 10 Cb -0.46 -3.32 -0.12 0.00 1.10 0.00 0.00 33.01 30.22 1auy s GLN 10 CO 0.60 0.40 1.45 -0.25 -0.55 0.00 0.00 175.29 176.94 1auy n ASP 11 N 2.23 3.47 -4.79 6.67 8.00 -1.26 -4.99 116.55 125.88 1auy n ASP 11 Ca -0.03 1.20 -0.31 0.00 0.71 0.00 0.00 54.79 56.37 1auy n ASP 11 Cb 0.49 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.96 1auy n ASP 11 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1auy s ARG 12 N -1.65 2.20 0.24 -1.24 1.81 -1.26 -4.48 118.95 114.57 1auy s ARG 12 Ca 0.57 -2.27 -0.21 0.00 -1.72 0.00 0.00 55.73 52.10 1auy s ARG 12 Cb -0.51 -1.69 0.07 0.00 -0.45 0.00 0.00 34.95 32.37 1auy s ARG 12 CO 0.60 -0.39 0.97 -0.08 -0.68 0.00 0.00 175.30 175.72 1auy s THR 13 N -2.83 0.00 -0.28 0.02 -1.32 -1.26 -5.07 115.64 104.89 1auy s THR 13 Ca 0.15 -0.70 -0.08 0.00 -1.21 0.00 0.00 61.69 59.86 1auy s THR 13 Cb 0.01 -2.86 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 1auy s THR 13 CO 0.09 0.00 0.10 -0.69 -2.21 0.00 0.00 174.62 171.91 1auy s VAL 14 N -2.25 4.32 -0.01 5.08 1.01 -1.26 -4.84 120.40 122.45 1auy s VAL 14 Ca 0.20 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1auy s VAL 14 Cb -0.03 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1auy s VAL 14 CO 0.07 0.18 0.02 -0.89 0.00 0.00 0.00 175.10 174.48 1auy s THR 15 N 1.59 -0.02 0.19 3.92 2.01 -1.26 -5.15 115.64 116.91 1auy s THR 15 Ca 0.05 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.22 1auy s THR 15 Cb -0.16 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1auy s THR 15 CO 0.04 0.03 -0.16 0.68 -0.69 0.00 0.00 174.62 174.52 1auy s VAL 16 N 0.35 2.81 0.46 3.82 -7.23 -1.26 -4.46 120.40 114.89 1auy s VAL 16 Ca -0.03 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1auy s VAL 16 Cb -0.04 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 1auy s VAL 16 CO -0.01 -0.12 0.38 0.00 -0.31 0.00 0.00 175.10 175.04 1auy s ALA 17 N -1.72 4.13 -0.16 1.32 0.00 -1.26 -5.07 121.76 119.00 1auy s ALA 17 Ca 0.23 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 1auy s ALA 17 Cb -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1auy s ALA 17 CO 0.13 -0.31 -0.04 0.99 0.00 0.00 0.00 175.76 176.53 1auy s THR 18 N -2.58 3.79 -0.03 0.00 2.01 -1.26 -5.10 115.64 112.47 1auy s THR 18 Ca 0.44 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1auy s THR 18 Cb -0.02 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.84 1auy s THR 18 CO 0.26 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.93 1auy s VAL 19 N 0.51 0.57 0.16 3.82 1.01 -1.26 -5.07 120.40 120.14 1auy s VAL 19 Ca -0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1auy s VAL 19 Cb -0.14 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 1auy s VAL 19 CO 0.03 0.21 1.36 -0.76 0.00 0.00 0.00 175.10 175.94 1auy s LEU 20 N 0.59 4.39 0.40 3.92 1.43 -1.26 -5.02 118.68 123.13 1auy s LEU 20 Ca -0.08 2.39 -0.10 0.00 -1.03 0.00 0.00 54.13 55.31 1auy s LEU 20 Cb -0.11 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1auy s LEU 20 CO 0.00 -0.61 0.75 -2.16 0.23 0.00 0.00 176.35 174.56 1auy s PRO 21 N 0.50 3.74 0.46 1.29 0.04 -1.26 -5.07 135.00 134.70 1auy s PRO 21 Ca 0.61 0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 1auy s PRO 21 Cb -0.37 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 1auy s PRO 21 CO 0.34 -0.03 0.92 0.00 0.04 0.00 0.00 177.00 178.28 1auy s ALA 22 N -2.37 3.13 0.36 8.56 0.00 -1.26 -4.98 121.76 125.19 1auy s ALA 22 Ca 0.50 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 1auy s ALA 22 Cb -0.10 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1auy s ALA 22 CO 0.32 -0.05 1.42 0.14 0.00 0.00 0.00 175.76 177.60 1auy s VAL 23 N -2.40 2.28 0.38 0.00 -7.23 -1.26 -4.89 120.40 107.29 1auy s VAL 23 Ca 0.58 0.29 -0.27 0.00 -1.81 0.00 0.00 61.98 60.77 1auy s VAL 23 Cb -0.10 -3.18 -0.11 0.00 0.56 0.00 0.00 36.38 33.55 1auy s VAL 23 CO 0.25 0.07 1.29 -0.81 -0.31 0.00 0.00 175.10 175.58 1auy n PRO 24 N 0.55 2.05 -3.92 4.82 -0.04 -1.26 -4.90 135.00 132.30 1auy n PRO 24 Ca 0.01 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1auy n PRO 24 Cb 0.40 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1auy n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1auy n GLY 25 N 0.78 -1.47 3.77 0.55 0.00 -1.26 -5.11 105.19 102.45 1auy n GLY 25 Ca 0.05 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1auy n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1auy s PRO 26 N -1.85 4.26 0.15 1.61 0.04 -1.26 -4.95 135.00 133.01 1auy s PRO 26 Ca 0.00 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 1auy s PRO 26 Cb 0.00 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1auy s PRO 26 CO 0.00 -0.33 1.06 -1.12 0.04 0.00 0.00 177.00 176.65 1auy s SER 27 N -0.29 7.34 0.65 6.66 0.01 -1.26 -5.03 113.70 121.78 1auy s SER 27 Ca 0.51 1.99 -0.10 0.00 1.31 0.00 0.00 55.95 59.67 1auy s SER 27 Cb -0.42 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.20 1auy s SER 27 CO 0.56 -0.17 1.02 -2.16 0.41 0.00 0.00 173.24 172.90 1auy s PRO 28 N -0.22 3.11 0.50 12.44 0.04 -1.26 -5.04 135.00 144.56 1auy s PRO 28 Ca 0.49 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.86 1auy s PRO 28 Cb -0.27 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1auy s PRO 28 CO 0.33 -0.79 0.88 -0.51 0.04 0.00 0.00 177.00 176.94 1auy s LEU 29 N -5.20 3.58 0.13 -3.56 1.02 -1.26 -4.98 118.68 108.41 1auy s LEU 29 Ca 0.56 1.22 0.06 0.00 0.02 0.00 0.00 54.13 55.99 1auy s LEU 29 Cb -0.11 -4.17 -0.04 0.00 0.02 0.00 0.00 46.19 41.89 1auy s LEU 29 CO 0.51 -0.60 -0.15 0.42 0.02 0.00 0.00 176.35 176.54 1auy s THR 30 N -2.73 1.42 0.14 5.49 -4.23 -1.26 -4.26 115.64 110.20 1auy s THR 30 Ca 0.52 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1auy s THR 30 Cb -0.10 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1auy s THR 30 CO 0.41 -0.37 -0.11 0.27 -0.54 0.00 0.00 174.62 174.28 1auy s ILE 31 N -2.03 1.20 0.10 2.99 -5.25 -0.73 -4.97 121.20 112.51 1auy s ILE 31 Ca 0.09 -1.91 0.08 0.00 -0.99 0.00 0.00 60.65 57.92 1auy s ILE 31 Cb -0.06 -1.69 -0.04 0.00 2.95 0.00 0.00 42.46 43.62 1auy s ILE 31 CO 0.04 -0.63 -0.17 -0.54 -1.79 0.00 0.00 174.94 171.85 1auy s LYS 32 N -3.31 1.89 -0.10 0.37 1.02 -1.26 -0.71 119.74 117.64 1auy s LYS 32 Ca 0.13 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 1auy s LYS 32 Cb -0.00 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1auy s LYS 32 CO 0.01 0.50 0.16 -1.14 -0.92 0.00 0.00 175.35 173.96 1auy s GLN 33 N -2.03 0.05 0.65 1.68 2.00 0.02 -4.97 119.66 117.05 1auy s GLN 33 Ca 0.18 0.47 -0.10 0.00 -2.00 0.00 0.00 55.36 53.91 1auy s GLN 33 Cb -0.11 -0.51 -0.00 0.00 0.80 0.00 0.00 33.01 33.20 1auy s GLN 33 CO 0.10 -0.38 1.02 -1.25 -0.50 0.00 0.00 175.29 174.28 1auy s PRO 34 N 2.28 3.05 0.00 1.67 0.04 -1.26 -1.23 135.00 139.55 1auy s PRO 34 Ca 0.04 0.38 -0.27 0.00 0.04 0.00 0.00 61.00 61.19 1auy s PRO 34 Cb -0.13 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1auy s PRO 34 CO -0.07 -0.82 0.62 -0.59 0.04 0.00 0.00 177.00 176.18 1auy s PHE 35 N -3.20 -0.57 -0.03 0.56 -0.12 0.59 -4.93 117.98 110.28 1auy s PHE 35 Ca 0.56 0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 58.27 1auy s PHE 35 Cb -0.11 0.40 0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1auy s PHE 35 CO 0.50 -0.64 0.05 -1.14 -0.05 0.00 0.00 175.22 173.94 1auy s GLN 36 N -1.80 -0.05 0.05 1.99 0.74 -1.26 -0.70 119.66 118.62 1auy s GLN 36 Ca -0.08 0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.65 1auy s GLN 36 Cb -0.01 -0.36 -0.02 0.00 1.10 0.00 0.00 33.01 33.72 1auy s GLN 36 CO 0.04 -0.24 -0.14 -1.54 -0.55 0.00 0.00 175.29 172.87 1auy s SER 37 N 1.55 1.63 0.35 6.67 1.04 0.17 -4.94 113.70 120.16 1auy s SER 37 Ca -0.03 -0.50 -0.27 0.00 0.48 0.00 0.00 55.95 55.63 1auy s SER 37 Cb -0.13 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.82 1auy s SER 37 CO -0.03 -0.00 1.12 -1.61 0.98 0.00 0.00 173.24 173.69 1auy s GLU 38 N -1.31 4.33 -0.03 4.02 2.02 -1.26 0.15 118.70 126.62 1auy s GLU 38 Ca 0.00 1.76 0.01 0.00 0.02 0.00 0.00 54.97 56.76 1auy s GLU 38 Cb -0.08 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1auy s GLU 38 CO 0.01 -0.05 -0.01 0.28 0.02 0.00 0.00 175.26 175.51 1auy n VAL 39 N 0.52 0.16 -3.57 2.63 0.31 0.25 -4.82 118.33 113.80 1auy n VAL 39 Ca 0.02 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1auy n VAL 39 Cb 0.46 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 1auy n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1auy s LEU 40 N -4.81 -0.44 -0.66 7.52 2.96 -0.83 -5.01 118.68 117.41 1auy s LEU 40 Ca -0.03 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1auy s LEU 40 Cb 0.01 2.01 0.30 0.00 0.50 0.00 0.00 46.19 49.01 1auy s LEU 40 CO 0.07 -0.37 0.95 0.49 -1.32 0.00 0.00 176.35 176.17 1auy n PHE 41 N 0.98 3.71 -1.26 5.38 3.01 -1.26 -0.66 117.46 127.35 1auy n PHE 41 Ca -0.12 -3.90 -0.30 0.00 1.01 0.00 0.00 57.45 54.14 1auy n PHE 41 Cb 0.57 -0.61 0.12 0.00 -0.01 0.00 0.00 39.48 39.56 1auy n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1auy s ALA 42 N -3.06 1.80 0.00 4.37 0.00 -1.04 -4.71 121.76 119.11 1auy s ALA 42 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1auy s ALA 42 Cb 0.20 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1auy s ALA 42 CO -0.07 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 173.97 1auy n GLY 43 N -1.27 4.13 0.06 0.00 0.00 -1.26 -1.24 105.19 105.62 1auy n GLY 43 Ca 0.07 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1auy n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1auy n THR 44 N 0.00 0.36 -3.52 2.61 -2.24 -1.26 -4.38 114.28 105.85 1auy n THR 44 Ca 0.00 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1auy n THR 44 Cb 0.00 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1auy n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1auy s LYS 45 N -3.09 0.88 0.31 -0.78 -2.85 -1.26 -4.72 119.74 108.24 1auy s LYS 45 Ca 0.10 -0.05 -0.29 0.00 -1.00 0.00 0.00 55.97 54.73 1auy s LYS 45 Cb 0.14 0.41 -0.12 0.00 -2.06 0.00 0.00 37.83 36.21 1auy s LYS 45 CO 0.62 -0.33 1.47 -0.25 0.10 0.00 0.00 175.35 176.96 1auy n ASP 46 N 0.32 3.40 -3.88 0.03 9.92 -1.26 -4.41 116.55 120.67 1auy n ASP 46 Ca -0.13 1.18 -0.09 0.00 -0.53 0.00 0.00 54.79 55.22 1auy n ASP 46 Cb 0.60 -1.54 -0.04 0.00 -0.64 0.00 0.00 41.12 39.49 1auy n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1auy s ALA 47 N -0.48 -0.64 -0.16 2.24 0.00 -0.49 -4.95 121.76 117.28 1auy s ALA 47 Ca 0.61 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1auy s ALA 47 Cb -0.54 0.94 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1auy s ALA 47 CO 0.55 -0.86 0.44 -1.83 0.00 0.00 0.00 175.76 174.05 1auy s GLU 48 N -3.95 0.53 0.22 0.00 -1.05 -1.26 0.80 118.70 113.98 1auy s GLU 48 Ca 0.16 0.57 0.10 0.00 -0.15 0.00 0.00 54.97 55.64 1auy s GLU 48 Cb -0.02 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 1auy s GLU 48 CO 0.04 -0.07 -0.19 0.00 0.95 0.00 0.00 175.26 176.00 1auy s ALA 49 N 0.14 2.33 -0.50 -0.84 0.00 0.91 -4.97 121.76 118.84 1auy s ALA 49 Ca -0.01 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.33 1auy s ALA 49 Cb -0.03 -0.20 0.19 0.00 0.00 0.00 0.00 23.12 23.08 1auy s ALA 49 CO 0.01 0.23 0.66 0.45 0.00 0.00 0.00 175.76 177.11 1auy n SER 50 N -0.20 -2.81 -4.74 0.00 2.88 -1.26 -0.44 113.62 107.05 1auy n SER 50 Ca -0.09 -2.82 -0.34 0.00 -1.33 0.00 0.00 58.87 54.29 1auy n SER 50 Cb 0.59 1.27 -0.08 0.00 -0.75 0.00 0.00 64.21 65.24 1auy n SER 50 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1auy s LEU 51 N 0.62 3.76 -0.43 2.46 2.34 0.20 -4.92 118.68 122.71 1auy s LEU 51 Ca 0.31 0.14 -0.20 0.00 0.06 0.00 0.00 54.13 54.44 1auy s LEU 51 Cb 0.02 -2.05 0.02 0.00 -0.56 0.00 0.00 46.19 43.62 1auy s LEU 51 CO -0.09 0.32 0.61 -0.89 -1.06 0.00 0.00 176.35 175.24 1auy s THR 52 N -1.06 4.87 0.46 5.48 2.01 -1.26 0.79 115.64 126.94 1auy s THR 52 Ca 0.18 0.06 0.22 0.00 0.31 0.00 0.00 61.69 62.46 1auy s THR 52 Cb -0.12 -4.17 0.41 0.00 0.01 0.00 0.00 72.50 68.63 1auy s THR 52 CO 0.08 -0.56 1.88 0.40 -0.69 0.00 0.00 174.62 175.74 1auy h ILE 53 N 5.84 0.65 -0.55 1.82 1.08 -1.72 0.30 117.51 124.93 1auy h ILE 53 Ca -0.26 -0.09 0.16 0.00 -0.39 0.00 0.00 64.86 64.28 1auy h ILE 53 Cb 1.10 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 1auy h ILE 53 CO 0.87 0.05 0.43 0.00 -0.69 0.00 0.00 178.15 178.81 1auy h ALA 54 N 1.61 2.44 -0.02 1.87 0.00 -1.92 -2.09 119.26 121.15 1auy h ALA 54 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1auy h ALA 54 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1auy h ALA 54 CO -0.12 -0.71 -0.37 0.09 0.00 0.00 0.00 179.25 178.14 1auy n ASN 55 N -4.17 2.13 -4.56 0.00 5.03 0.09 -4.66 115.26 109.12 1auy n ASN 55 Ca 0.10 -1.56 -0.45 0.00 0.87 0.00 0.00 54.58 53.54 1auy n ASN 55 Cb 0.66 0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 39.79 1auy n ASN 55 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1auy n ILE 56 N 0.20 2.00 -0.24 2.41 5.41 -0.79 -4.77 119.36 123.59 1auy n ILE 56 Ca 0.10 -0.50 0.03 0.00 1.00 0.00 0.00 62.75 63.38 1auy n ILE 56 Cb 0.47 -0.83 0.16 0.00 -0.71 0.00 0.00 39.64 38.72 1auy n ILE 56 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1auy h ASP 57 N 1.77 0.25 -0.65 4.38 5.19 -1.94 -1.29 116.42 124.13 1auy h ASP 57 Ca -0.38 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1auy h ASP 57 Cb 1.36 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.91 1auy h ASP 57 CO 0.59 0.12 0.43 0.28 -3.12 0.00 0.00 179.24 177.54 1auy h SER 58 N 0.43 0.74 -0.78 6.45 0.02 -1.96 0.46 113.55 118.91 1auy h SER 58 Ca 0.37 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1auy h SER 58 Cb 0.53 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1auy h SER 58 CO -0.37 0.53 0.44 0.58 -1.14 0.00 0.00 176.83 176.87 1auy h VAL 59 N 0.87 1.23 0.43 2.27 2.07 -1.60 0.28 116.25 121.79 1auy h VAL 59 Ca 0.24 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1auy h VAL 59 Cb -0.10 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1auy h VAL 59 CO -0.05 0.25 -0.21 0.28 0.02 0.00 0.00 177.57 177.86 1auy h SER 60 N 1.09 -0.49 -0.89 0.57 0.02 -0.32 -2.32 113.55 111.21 1auy h SER 60 Ca 0.28 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.48 1auy h SER 60 Cb 0.01 0.13 -0.16 0.00 0.14 0.00 0.00 62.40 62.52 1auy h SER 60 CO -0.05 -0.21 0.10 0.74 -1.14 0.00 0.00 176.83 176.27 1auy h THR 61 N -0.85 0.20 -0.18 -2.27 2.02 0.02 -1.84 112.91 110.01 1auy h THR 61 Ca -0.06 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1auy h THR 61 Cb 0.44 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1auy h THR 61 CO 0.10 0.02 -0.22 -0.07 0.37 0.00 0.00 175.52 175.72 1auy h LEU 62 N 0.10 0.50 -0.18 2.58 3.38 -0.48 -3.24 115.31 117.97 1auy h LEU 62 Ca 0.54 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1auy h LEU 62 Cb 1.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1auy h LEU 62 CO -0.77 0.90 0.00 0.35 0.09 0.00 0.00 178.44 179.01 1auy n THR 63 N -4.44 0.06 -0.19 0.22 -2.24 -0.74 -4.51 114.28 102.45 1auy n THR 63 Ca -0.06 -0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1auy n THR 63 Cb 0.42 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1auy n THR 63 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1auy h THR 64 N 0.29 0.32 -0.69 4.28 2.02 -1.46 -1.99 112.91 115.67 1auy h THR 64 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1auy h THR 64 Cb 0.07 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 66.67 1auy h THR 64 CO 0.00 0.00 0.27 0.49 0.37 0.00 0.00 175.52 176.65 1auy n PHE 65 N -5.43 2.29 -4.87 3.16 3.72 -1.26 -4.86 117.46 110.22 1auy n PHE 65 Ca 0.05 -1.14 -0.26 0.00 -0.05 0.00 0.00 57.45 56.06 1auy n PHE 65 Cb 0.33 -0.66 -0.15 0.00 -0.94 0.00 0.00 39.48 38.06 1auy n PHE 65 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1auy s TYR 66 N -2.77 1.72 -0.23 1.38 2.02 -0.75 -1.24 117.35 117.48 1auy s TYR 66 Ca 0.50 -0.33 0.19 0.00 -0.37 0.00 0.00 57.07 57.06 1auy s TYR 66 Cb 0.40 -1.09 0.08 0.00 -0.40 0.00 0.00 41.96 40.95 1auy s TYR 66 CO 0.12 -0.01 1.27 0.00 -1.57 0.00 0.00 175.55 175.37 1auy h ARG 67 N 5.50 0.00 -5.46 -0.62 3.08 0.27 -3.43 114.38 113.73 1auy h ARG 67 Ca -0.39 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.11 1auy h ARG 67 Cb 1.15 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.89 1auy h ARG 67 CO 0.47 0.23 -0.83 -1.01 -1.07 0.00 0.00 179.97 177.76 1auy s HIS 68 N -3.10 1.62 -0.28 3.04 3.76 -0.93 -3.73 115.29 115.68 1auy s HIS 68 Ca 0.02 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.39 1auy s HIS 68 Cb 0.08 -1.07 0.08 0.00 1.11 0.00 0.00 32.58 32.78 1auy s HIS 68 CO 0.75 -0.10 0.70 0.00 -0.85 0.00 0.00 174.74 175.24 1auy s ALA 69 N -0.18 -1.90 0.17 -1.40 0.00 0.08 -1.08 121.76 117.45 1auy s ALA 69 Ca 0.01 2.42 0.07 0.00 0.00 0.00 0.00 51.96 54.46 1auy s ALA 69 Cb -0.09 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1auy s ALA 69 CO 0.01 -0.40 -0.13 -1.12 0.00 0.00 0.00 175.76 174.11 1auy s SER 70 N 1.69 2.27 -0.26 0.00 0.01 -0.40 0.14 113.70 117.15 1auy s SER 70 Ca -0.10 -0.97 -0.25 0.00 1.31 0.00 0.00 55.95 55.94 1auy s SER 70 Cb -0.05 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 1auy s SER 70 CO -0.20 -0.20 0.85 -0.76 0.41 0.00 0.00 173.24 173.35 1auy s LEU 71 N -3.08 4.07 0.03 2.44 1.43 -0.41 -1.05 118.68 122.11 1auy s LEU 71 Ca 0.18 1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 1auy s LEU 71 Cb -0.01 -3.22 -0.35 0.00 0.03 0.00 0.00 46.19 42.64 1auy s LEU 71 CO 0.04 -0.57 1.01 -0.08 0.23 0.00 0.00 176.35 176.99 1auy h GLU 72 N 7.76 0.50 -3.05 1.70 4.57 0.16 -3.47 114.58 122.75 1auy h GLU 72 Ca -0.23 -0.86 -0.04 0.00 -1.18 0.00 0.00 59.36 57.05 1auy h GLU 72 Cb 1.09 0.32 -0.13 0.00 -0.16 0.00 0.00 28.75 29.87 1auy h GLU 72 CO 0.89 1.41 0.08 -1.54 -1.18 0.00 0.00 179.01 178.68 1auy s SER 73 N -7.52 -0.44 -0.29 1.04 1.04 -1.19 -4.94 113.70 101.40 1auy s SER 73 Ca -0.09 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.11 1auy s SER 73 Cb 0.04 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.86 1auy s SER 73 CO 0.94 -0.87 1.12 -0.22 0.98 0.00 0.00 173.24 175.19 1auy s LEU 74 N -2.56 -0.32 0.25 2.42 1.98 -1.26 -1.03 118.68 118.16 1auy s LEU 74 Ca -0.00 0.55 -0.12 0.00 -2.89 0.00 0.00 54.13 51.67 1auy s LEU 74 Cb 0.00 1.52 -0.01 0.00 0.66 0.00 0.00 46.19 48.36 1auy s LEU 74 CO -0.10 -0.09 0.46 -1.66 -1.89 0.00 0.00 176.35 173.08 1auy s TRP 75 N 0.88 0.41 0.07 5.38 -2.14 0.04 -1.23 118.94 122.35 1auy s TRP 75 Ca -0.04 -0.77 0.06 0.00 2.66 0.00 0.00 56.10 58.01 1auy s TRP 75 Cb -0.04 0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.45 1auy s TRP 75 CO -0.12 -0.98 -0.08 0.14 -2.66 0.00 0.00 176.95 173.24 1auy s VAL 76 N -4.00 3.50 -0.08 -0.66 -7.23 -0.20 -2.11 120.40 109.62 1auy s VAL 76 Ca 0.23 -1.07 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1auy s VAL 76 Cb -0.00 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1auy s VAL 76 CO 0.09 0.22 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.16 1auy s THR 77 N -1.14 0.75 -0.30 5.32 2.01 -0.78 -0.88 115.64 120.62 1auy s THR 77 Ca 0.20 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 1auy s THR 77 Cb -0.11 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1auy s THR 77 CO 0.12 0.31 0.37 -0.63 -0.69 0.00 0.00 174.62 174.09 1auy s ILE 78 N 1.48 5.17 -0.45 1.82 1.01 0.15 -2.70 121.20 127.68 1auy s ILE 78 Ca -0.01 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 1auy s ILE 78 Cb -0.13 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.70 1auy s ILE 78 CO -0.04 0.07 0.31 -1.00 0.00 0.00 0.00 174.94 174.27 1auy s HIS 79 N 2.07 3.39 0.59 3.97 3.76 -0.01 -0.90 115.29 128.15 1auy s HIS 79 Ca 0.14 -1.74 -0.19 0.00 -0.15 0.00 0.00 55.06 53.11 1auy s HIS 79 Cb -0.16 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 1auy s HIS 79 CO 0.11 -0.93 1.24 -2.14 -0.85 0.00 0.00 174.74 172.17 1auy s PRO 80 N 1.38 2.98 0.48 8.40 0.02 -1.26 -1.28 135.00 145.72 1auy s PRO 80 Ca 0.05 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1auy s PRO 80 Cb -0.25 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1auy s PRO 80 CO 0.00 -1.23 0.19 0.25 -0.33 0.00 0.00 177.00 175.89 1auy n THR 81 N -1.48 0.00 0.31 0.99 -2.24 0.18 -4.85 114.28 107.20 1auy n THR 81 Ca 0.13 -2.09 0.18 0.00 -2.27 0.00 0.00 64.05 60.00 1auy n THR 81 Cb 0.48 0.18 1.04 0.00 -2.10 0.00 0.00 70.33 69.93 1auy n THR 81 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1auy h LEU 82 N 0.00 0.00 0.00 3.22 -0.00 -1.88 0.47 115.31 117.12 1auy h LEU 82 Ca -0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 1auy h LEU 82 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1auy h LEU 82 CO 0.57 0.00 -0.25 -0.61 -0.00 0.00 0.00 178.44 178.14 1auy h GLN 83 N 0.00 0.00 -0.72 0.17 5.75 -1.86 -3.36 115.11 115.09 1auy h GLN 83 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1auy h GLN 83 Cb 0.04 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 1auy h GLN 83 CO -0.00 0.18 0.42 0.00 -2.65 0.00 0.00 178.83 176.78 1auy h ALA 84 N 1.82 0.98 -0.73 3.38 0.00 -1.03 -1.34 119.26 122.34 1auy h ALA 84 Ca -0.01 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1auy h ALA 84 Cb 1.15 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1auy h ALA 84 CO 0.02 0.12 0.33 -1.35 0.00 0.00 0.00 179.25 178.37 1auy h PRO 85 N 0.77 0.51 0.00 0.00 0.11 -1.72 -2.71 132.00 128.97 1auy h PRO 85 Ca 0.32 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 1auy h PRO 85 Cb 0.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1auy h PRO 85 CO -0.18 0.34 -0.66 0.00 -0.21 0.00 0.00 178.00 177.28 1auy h THR 86 N 0.52 0.02 -2.37 -1.15 1.03 -1.74 -3.05 112.91 106.17 1auy h THR 86 Ca 0.38 -1.03 -0.60 0.00 -0.01 0.00 0.00 66.41 65.15 1auy h THR 86 Cb 0.49 1.69 -0.41 0.00 -1.07 0.00 0.00 68.15 68.84 1auy h THR 86 CO -0.33 0.01 -0.67 0.49 -0.01 0.00 0.00 175.52 175.01 1auy n PHE 87 N -2.83 2.86 -1.59 0.00 3.72 -0.53 -4.98 117.46 114.11 1auy n PHE 87 Ca 0.01 -4.08 -0.53 0.00 -0.05 0.00 0.00 57.45 52.80 1auy n PHE 87 Cb 0.55 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.52 1auy n PHE 87 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1auy n PRO 88 N 1.24 1.04 -4.15 -1.08 -0.02 -1.24 -4.73 135.00 126.06 1auy n PRO 88 Ca 0.27 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1auy n PRO 88 Cb 0.42 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 1auy n PRO 88 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1auy s THR 89 N 0.52 0.45 0.07 3.45 -1.32 0.14 -4.41 115.64 114.55 1auy s THR 89 Ca 0.85 -0.15 -0.30 0.00 -1.21 0.00 0.00 61.69 60.88 1auy s THR 89 Cb -0.99 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 1auy s THR 89 CO 0.48 0.17 1.15 -0.89 -2.21 0.00 0.00 174.62 173.32 1auy s THR 90 N 0.47 4.16 -0.10 5.08 2.01 -0.87 -0.38 115.64 126.02 1auy s THR 90 Ca -0.06 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1auy s THR 90 Cb -0.09 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1auy s THR 90 CO -0.00 0.14 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.24 1auy s VAL 91 N 0.88 1.39 -0.13 3.82 1.01 0.17 -1.38 120.40 126.15 1auy s VAL 91 Ca 0.56 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1auy s VAL 91 Cb -0.28 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1auy s VAL 91 CO 0.30 0.42 -0.07 -0.83 0.00 0.00 0.00 175.10 174.92 1auy s GLY 92 N 0.94 1.67 0.00 4.51 0.00 0.82 0.86 107.32 116.11 1auy s GLY 92 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1auy s GLY 92 CO -0.00 -0.21 -0.12 0.14 0.00 0.00 0.00 173.10 172.91 1auy s VAL 93 N 0.14 0.94 -0.30 1.40 1.01 0.63 -1.74 120.40 122.49 1auy s VAL 93 Ca -0.03 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1auy s VAL 93 Cb -0.14 -0.80 0.13 0.00 0.00 0.00 0.00 36.38 35.57 1auy s VAL 93 CO 0.03 0.19 0.74 0.00 0.00 0.00 0.00 175.10 176.07 1auy s TRP 95 N 2.61 3.82 -0.07 0.00 0.52 -1.26 -1.98 118.94 122.57 1auy s TRP 95 Ca -0.06 1.48 -0.21 0.00 0.02 0.00 0.00 56.10 57.34 1auy s TRP 95 Cb -0.10 -2.72 0.05 0.00 -1.15 0.00 0.00 33.47 29.55 1auy s TRP 95 CO -0.19 0.44 0.49 0.08 0.02 0.00 0.00 176.95 177.79 1auy s VAL 96 N -0.73 0.02 0.55 4.03 1.01 -0.43 -4.89 120.40 119.97 1auy s VAL 96 Ca 0.35 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1auy s VAL 96 Cb -0.21 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1auy s VAL 96 CO 0.23 -0.10 1.18 -2.16 0.00 0.00 0.00 175.10 174.25 1auy s PRO 97 N -0.85 3.24 0.45 2.72 0.04 -1.26 -0.40 135.00 138.95 1auy s PRO 97 Ca -0.09 1.77 0.26 0.00 0.04 0.00 0.00 61.00 62.98 1auy s PRO 97 Cb -0.03 -2.05 1.29 0.00 0.04 0.00 0.00 34.50 33.75 1auy s PRO 97 CO 0.05 -0.98 1.77 0.00 0.04 0.00 0.00 177.00 177.89 1auy h ALA 98 N 1.22 2.60 0.00 8.56 0.00 -0.16 0.15 119.26 131.63 1auy h ALA 98 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1auy h ALA 98 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1auy h ALA 98 CO 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 179.25 178.82 1auy n GLN 99 N -4.47 0.02 -2.52 0.00 10.64 -0.52 -4.75 117.38 115.79 1auy n GLN 99 Ca 0.26 0.09 -0.42 0.00 -1.83 0.00 0.00 57.00 55.11 1auy n GLN 99 Cb 1.05 -1.53 -0.03 0.00 -0.86 0.00 0.00 30.24 28.87 1auy n GLN 99 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1auy s SER 100 N -3.12 7.19 0.00 2.61 0.15 0.51 -4.91 113.70 116.14 1auy s SER 100 Ca 0.12 1.93 0.14 0.00 0.70 0.00 0.00 55.95 58.83 1auy s SER 100 Cb 0.16 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.73 1auy s SER 100 CO 0.45 -0.38 1.55 -0.81 1.20 0.00 0.00 173.24 175.25 1auy n PRO 101 N 3.71 1.02 -0.98 5.44 -0.04 -1.26 -4.92 135.00 137.97 1auy n PRO 101 Ca 0.07 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1auy n PRO 101 Cb 0.48 -1.23 0.14 0.00 -0.04 0.00 0.00 33.50 32.85 1auy n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1auy s VAL 102 N -1.99 2.31 0.16 0.52 -7.23 -1.26 -5.05 120.40 107.86 1auy s VAL 102 Ca 0.22 0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.57 1auy s VAL 102 Cb 0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1auy s VAL 102 CO 0.17 -0.12 -0.16 0.28 -0.31 0.00 0.00 175.10 174.96 1auy s THR 103 N -2.50 1.64 0.44 5.32 -1.32 -1.26 -5.02 115.64 112.94 1auy s THR 103 Ca 0.68 -1.94 0.25 0.00 -1.21 0.00 0.00 61.69 59.47 1auy s THR 103 Cb -0.24 -1.81 0.45 0.00 -1.51 0.00 0.00 72.50 69.39 1auy s THR 103 CO 0.54 -0.43 1.76 -0.65 -2.21 0.00 0.00 174.62 173.62 1auy h PRO 104 N 3.13 0.23 0.00 7.08 0.11 -1.85 1.30 132.00 142.00 1auy h PRO 104 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1auy h PRO 104 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1auy h PRO 104 CO 0.54 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1auy n ALA 105 N -2.56 1.41 -0.48 -0.75 0.00 -1.26 -2.34 120.51 114.52 1auy n ALA 105 Ca 0.27 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.74 1auy n ALA 105 Cb 1.07 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 19.51 1auy n ALA 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1auy n GLN 106 N -1.37 2.41 -0.08 0.00 6.02 0.45 -4.80 117.38 120.01 1auy n GLN 106 Ca 0.02 -2.07 -0.14 0.00 -0.01 0.00 0.00 57.00 54.80 1auy n GLN 106 Cb 0.06 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 1auy n GLN 106 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1auy h ILE 107 N 0.46 0.00 0.00 5.09 1.08 -1.49 0.79 117.51 123.44 1auy h ILE 107 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1auy h ILE 107 Cb 0.80 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1auy h ILE 107 CO 0.02 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.83 1auy n THR 108 N -5.29 0.00 0.10 -0.27 -2.24 -1.26 -0.84 114.28 104.48 1auy n THR 108 Ca -0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1auy n THR 108 Cb 0.34 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 1auy n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1auy n LYS 109 N -0.50 4.68 -3.51 -0.78 5.02 0.20 -5.00 118.16 118.27 1auy n LYS 109 Ca 0.00 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1auy n LYS 109 Cb 0.00 -0.73 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 1auy n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1auy s THR 110 N -1.48 5.17 0.07 -0.18 2.01 -0.02 -5.03 115.64 116.18 1auy s THR 110 Ca 0.01 0.73 -0.14 0.00 0.31 0.00 0.00 61.69 62.60 1auy s THR 110 Cb 0.02 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1auy s THR 110 CO 0.11 0.49 1.19 0.00 -0.69 0.00 0.00 174.62 175.72 1auy n TYR 111 N 2.59 -0.20 -0.23 4.92 9.36 -1.26 -1.63 117.16 130.70 1auy n TYR 111 Ca -0.13 0.56 -0.05 0.00 3.32 0.00 0.00 57.90 61.60 1auy n TYR 111 Cb 0.52 -0.52 0.05 0.00 -0.63 0.00 0.00 39.34 38.76 1auy n TYR 111 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1auy h GLY 112 N 0.00 0.93 0.00 2.98 0.00 -1.90 -3.45 103.07 101.63 1auy h GLY 112 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1auy h GLY 112 CO -0.42 0.33 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1auy n GLY 113 N -1.28 0.00 3.23 4.60 0.00 -0.65 -4.35 105.19 106.75 1auy n GLY 113 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1auy n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1auy s GLN 114 N 0.00 1.09 -0.13 1.61 -0.21 0.24 -4.70 119.66 117.57 1auy s GLN 114 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.38 1auy s GLN 114 Cb 0.00 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.79 1auy s GLN 114 CO 0.00 0.30 -0.16 0.42 -2.12 0.00 0.00 175.29 173.72 1auy s ILE 115 N -1.05 1.64 0.01 1.08 -1.09 -1.26 -0.27 121.20 120.26 1auy s ILE 115 Ca 0.04 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 57.84 1auy s ILE 115 Cb -0.09 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 1auy s ILE 115 CO 0.03 0.47 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.59 1auy s PHE 116 N 1.13 2.28 -0.65 3.97 0.08 0.25 -4.94 117.98 120.09 1auy s PHE 116 Ca -0.02 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.45 1auy s PHE 116 Cb -0.14 -1.42 0.15 0.00 -0.57 0.00 0.00 43.02 41.04 1auy s PHE 116 CO -0.05 0.04 0.64 0.00 -0.10 0.00 0.00 175.22 175.75 1auy s ILE 118 N 1.40 4.32 0.24 0.00 -1.09 0.49 -4.85 121.20 121.71 1auy s ILE 118 Ca 0.10 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 1auy s ILE 118 Cb -0.22 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1auy s ILE 118 CO -0.01 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1auy n GLY 119 N 2.58 -2.42 0.00 6.18 0.00 -0.90 -0.68 105.19 109.95 1auy n GLY 119 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1auy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auy n GLY 120 N -3.27 1.20 2.32 -0.02 0.00 -1.15 -4.54 105.19 99.73 1auy n GLY 120 Ca -0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1auy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auy n ALA 121 N 0.53 -0.28 -1.78 4.61 0.00 -1.26 -4.98 120.51 117.35 1auy n ALA 121 Ca 0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 53.44 51.91 1auy n ALA 121 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1auy n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1auy s ILE 122 N -2.14 2.17 0.00 0.00 -1.09 -1.26 -2.90 121.20 115.98 1auy s ILE 122 Ca 0.42 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1auy s ILE 122 Cb -0.02 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1auy s ILE 122 CO 0.28 0.03 0.00 1.67 -1.23 0.00 0.00 174.94 175.69 1auy n GLN 123 N 1.50 0.00 0.00 2.79 -0.06 -1.26 -4.93 117.38 115.43 1auy n GLN 123 Ca 0.05 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.16 1auy n GLN 123 Cb 0.39 -1.72 0.62 0.00 -4.06 0.00 0.00 30.24 25.47 1auy n GLN 123 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1auy n THR 124 N -2.00 0.18 1.02 1.69 -2.24 -1.14 -4.07 114.28 107.72 1auy n THR 124 Ca 0.00 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1auy n THR 124 Cb 0.00 -0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1auy n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1auy n LEU 125 N -1.17 1.36 -4.80 3.22 4.32 -1.26 -2.11 117.00 116.56 1auy n LEU 125 Ca 0.14 -0.54 -0.34 0.00 -0.02 0.00 0.00 56.01 55.25 1auy n LEU 125 Cb 0.14 -0.03 -0.04 0.00 -1.62 0.00 0.00 43.42 41.87 1auy n LEU 125 CO 0.16 0.28 0.71 -0.44 -1.22 0.00 0.00 177.39 176.88 1auy s SER 126 N -2.76 6.49 0.13 -1.43 0.01 -1.26 -4.48 113.70 110.41 1auy s SER 126 Ca 0.14 1.90 -0.31 0.00 1.31 0.00 0.00 55.95 58.99 1auy s SER 126 Cb 0.17 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1auy s SER 126 CO 0.71 -0.68 1.67 -2.16 0.41 0.00 0.00 173.24 173.20 1auy s PRO 127 N -3.13 4.18 0.04 12.44 0.04 -1.26 -4.74 135.00 142.56 1auy s PRO 127 Ca 0.65 2.43 -0.16 0.00 0.04 0.00 0.00 61.00 63.96 1auy s PRO 127 Cb -0.16 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 1auy s PRO 127 CO 0.20 -0.72 0.47 -0.51 0.04 0.00 0.00 177.00 176.48 1auy s LEU 128 N 2.01 4.48 -0.09 -3.56 1.43 -0.08 -1.23 118.68 121.65 1auy s LEU 128 Ca 0.74 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1auy s LEU 128 Cb -0.44 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.05 1auy s LEU 128 CO 0.33 0.29 -0.07 -0.63 0.23 0.00 0.00 176.35 176.49 1auy s ILE 129 N -1.13 0.91 -0.42 -0.59 1.01 -0.37 0.30 121.20 120.90 1auy s ILE 129 Ca 0.27 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1auy s ILE 129 Cb -0.17 -0.93 0.11 0.00 0.01 0.00 0.00 42.46 41.48 1auy s ILE 129 CO 0.16 0.34 0.17 -0.69 0.00 0.00 0.00 174.94 174.91 1auy s VAL 130 N 1.49 2.72 0.33 2.92 1.01 -0.06 -2.22 120.40 126.59 1auy s VAL 130 Ca 0.00 -2.55 -0.28 0.00 0.00 0.00 0.00 61.98 59.15 1auy s VAL 130 Cb -0.13 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1auy s VAL 130 CO -0.05 -0.69 1.26 -0.54 0.00 0.00 0.00 175.10 175.08 1auy s LYS 131 N 0.61 4.35 -0.10 2.72 1.02 -1.26 -1.04 119.74 126.04 1auy s LYS 131 Ca 0.12 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 57.94 1auy s LYS 131 Cb -0.21 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1auy s LYS 131 CO -0.05 -0.16 1.03 0.00 -0.92 0.00 0.00 175.35 175.25 1auy n PRO 133 N 5.03 1.62 0.05 0.00 -0.02 -1.26 -4.67 135.00 135.75 1auy n PRO 133 Ca 0.09 -2.38 0.20 0.00 -2.02 0.00 0.00 63.50 59.39 1auy n PRO 133 Cb 0.48 -3.58 0.73 0.00 -0.02 0.00 0.00 33.50 31.11 1auy n PRO 133 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1auy h LEU 134 N 16.95 0.00 -1.76 2.45 4.07 -1.92 0.38 115.31 135.49 1auy h LEU 134 Ca 0.26 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.24 1auy h LEU 134 Cb 0.89 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 1auy h LEU 134 CO 1.36 0.00 0.20 -0.33 -1.08 0.00 0.00 178.44 178.59 1auy h GLU 135 N 0.00 0.32 0.00 1.13 3.07 -1.95 -0.12 114.58 117.02 1auy h GLU 135 Ca 0.22 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1auy h GLU 135 Cb 0.99 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1auy h GLU 135 CO -0.00 0.21 -0.43 -1.33 -1.40 0.00 0.00 179.01 176.05 1auy n MET 136 N -4.49 0.03 -0.28 2.33 2.81 0.13 -4.75 117.12 112.90 1auy n MET 136 Ca 0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1auy n MET 136 Cb 0.13 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1auy n MET 136 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1auy n MET 137 N -1.57 2.32 -3.65 0.03 2.81 -0.06 -4.81 117.12 112.19 1auy n MET 137 Ca 0.05 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.66 1auy n MET 137 Cb 0.35 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.70 1auy n MET 137 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1auy s GLN 138 N 1.40 0.46 0.54 0.03 2.00 -0.82 -4.42 119.66 118.85 1auy s GLN 138 Ca 0.00 -0.68 0.29 0.00 -2.00 0.00 0.00 55.36 52.97 1auy s GLN 138 Cb 0.00 -1.69 1.55 0.00 0.80 0.00 0.00 33.01 33.66 1auy s GLN 138 CO 0.00 -0.91 2.10 -1.00 -0.50 0.00 0.00 175.29 174.98 1auy h PRO 139 N 8.26 0.00 -6.06 1.67 0.13 -1.84 -3.30 132.00 130.86 1auy h PRO 139 Ca -0.17 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.34 1auy h PRO 139 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1auy h PRO 139 CO 0.42 0.09 1.37 0.54 -0.23 0.00 0.00 178.00 180.20 1auy n ARG 140 N -3.59 1.68 -0.00 0.86 5.12 -1.26 -1.29 116.66 118.18 1auy n ARG 140 Ca -0.02 0.51 0.08 0.00 -1.93 0.00 0.00 57.85 56.49 1auy n ARG 140 Cb 0.22 -2.80 -0.09 0.00 -1.16 0.00 0.00 32.46 28.62 1auy n ARG 140 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1auy n VAL 141 N 6.92 0.00 -3.61 1.55 3.14 0.12 -4.81 118.33 121.65 1auy n VAL 141 Ca 0.33 -0.15 -0.02 0.00 -2.96 0.00 0.00 64.34 61.54 1auy n VAL 141 Cb 0.33 0.92 -0.05 0.00 -1.06 0.00 0.00 33.84 33.98 1auy n VAL 141 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1auy s LYS 142 N -2.57 0.54 0.00 1.45 2.20 -0.04 -4.93 119.74 116.39 1auy s LYS 142 Ca 0.05 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1auy s LYS 142 Cb 0.12 0.75 0.00 0.00 -1.51 0.00 0.00 37.83 37.19 1auy s LYS 142 CO 0.66 -0.25 0.00 -3.47 -0.36 0.00 0.00 175.35 171.93 1auy n ASP 143 N 5.44 0.00 0.14 1.43 -0.08 -1.24 -0.74 116.55 121.49 1auy n ASP 143 Ca -0.10 -0.73 0.13 0.00 -1.51 0.00 0.00 54.79 52.57 1auy n ASP 143 Cb 0.49 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.40 1auy n ASP 143 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1auy h SER 144 N 0.00 0.00 -4.48 1.67 0.02 -1.99 -3.45 113.55 105.32 1auy h SER 144 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1auy h SER 144 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1auy h SER 144 CO 0.00 0.00 -0.40 2.30 -1.14 0.00 0.00 176.83 177.59 1auy n ILE 145 N -2.40 0.00 -4.76 3.27 -6.64 -1.26 -5.15 119.36 102.42 1auy n ILE 145 Ca 0.04 -2.07 -0.33 0.00 -1.77 0.00 0.00 62.75 58.62 1auy n ILE 145 Cb 0.35 0.92 -0.14 0.00 -1.44 0.00 0.00 39.64 39.33 1auy n ILE 145 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 1auy s GLN 146 N -3.23 3.34 0.32 6.28 -0.21 -1.26 -4.94 119.66 119.97 1auy s GLN 146 Ca 0.28 -0.68 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 1auy s GLN 146 Cb 0.01 -2.63 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 1auy s GLN 146 CO 0.20 0.25 0.58 0.71 -2.12 0.00 0.00 175.29 174.91 1auy s TYR 147 N 0.27 3.49 -0.76 0.91 2.02 -1.26 -5.01 117.35 117.01 1auy s TYR 147 Ca -0.09 0.61 0.23 0.00 -0.37 0.00 0.00 57.07 57.45 1auy s TYR 147 Cb -0.15 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1auy s TYR 147 CO 0.05 0.11 1.01 1.28 -1.57 0.00 0.00 175.55 176.43 1auy n LEU 148 N -1.25 0.67 -1.91 -1.29 4.77 -1.26 -4.43 117.00 112.30 1auy n LEU 148 Ca -0.02 -0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 1auy n LEU 148 Cb 0.54 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1auy n LEU 148 CO 0.49 0.12 0.75 -0.90 -1.33 0.00 0.00 177.39 176.51 1auy n ASP 149 N -1.75 5.13 -4.71 -1.43 5.68 -1.26 -1.43 116.55 116.77 1auy n ASP 149 Ca 0.03 -3.77 -0.30 0.00 -0.50 0.00 0.00 54.79 50.24 1auy n ASP 149 Cb 0.39 -0.63 0.14 0.00 -1.14 0.00 0.00 41.12 39.88 1auy n ASP 149 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1auy s SER 150 N -2.70 3.53 0.38 -1.12 0.15 -1.25 -1.95 113.70 110.74 1auy s SER 150 Ca 0.54 1.71 -0.26 0.00 0.70 0.00 0.00 55.95 58.64 1auy s SER 150 Cb 0.44 -2.36 -0.09 0.00 -1.71 0.00 0.00 66.02 62.31 1auy s SER 150 CO 0.02 -2.64 1.24 -2.84 1.20 0.00 0.00 173.24 170.22 1auy s PRO 151 N -4.84 4.10 -0.06 5.44 0.02 -1.24 0.43 135.00 138.84 1auy s PRO 151 Ca 0.64 2.03 -0.00 0.00 0.02 0.00 0.00 61.00 63.69 1auy s PRO 151 Cb -0.19 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.55 1auy s PRO 151 CO 0.57 -0.34 -0.02 0.21 -0.33 0.00 0.00 177.00 177.09 1auy s LYS 152 N -2.14 0.74 -0.07 5.54 2.20 0.47 -1.78 119.74 124.69 1auy s LYS 152 Ca 0.55 -0.01 -0.14 0.00 -0.36 0.00 0.00 55.97 56.00 1auy s LYS 152 Cb -0.35 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 35.01 1auy s LYS 152 CO 0.45 -0.18 0.36 -1.17 -0.36 0.00 0.00 175.35 174.45 1auy s LEU 153 N 1.39 4.38 -0.14 5.43 2.96 0.24 -1.31 118.68 131.63 1auy s LEU 153 Ca -0.04 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1auy s LEU 153 Cb -0.13 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1auy s LEU 153 CO -0.03 0.24 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.31 1auy s LEU 154 N -0.47 2.45 0.03 -0.68 1.43 -0.84 -0.63 118.68 119.98 1auy s LEU 154 Ca 0.21 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1auy s LEU 154 Cb -0.15 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1auy s LEU 154 CO 0.10 0.12 -0.16 -0.63 0.23 0.00 0.00 176.35 176.01 1auy s ILE 155 N 0.60 1.27 -0.07 -0.59 1.01 0.41 -2.44 121.20 121.38 1auy s ILE 155 Ca -0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 1auy s ILE 155 Cb -0.16 -1.12 0.04 0.00 0.01 0.00 0.00 42.46 41.23 1auy s ILE 155 CO 0.03 0.10 0.15 -0.94 0.00 0.00 0.00 174.94 174.28 1auy s SER 156 N -1.05 0.20 -0.08 3.58 1.04 -0.71 -0.06 113.70 116.62 1auy s SER 156 Ca 0.04 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.80 1auy s SER 156 Cb -0.08 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1auy s SER 156 CO 0.01 -0.18 -0.13 -0.63 0.98 0.00 0.00 173.24 173.29 1auy s ILE 157 N 1.58 3.17 -0.27 -1.02 -1.09 0.24 -0.13 121.20 123.68 1auy s ILE 157 Ca -0.05 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1auy s ILE 157 Cb -0.12 -2.28 0.08 0.00 -1.58 0.00 0.00 42.46 38.56 1auy s ILE 157 CO -0.06 0.57 0.01 -0.89 -1.23 0.00 0.00 174.94 173.35 1auy s THR 158 N -0.42 1.36 0.52 2.92 2.01 -0.48 -1.39 115.64 120.16 1auy s THR 158 Ca 0.05 -1.38 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 1auy s THR 158 Cb -0.12 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1auy s THR 158 CO 0.02 -0.35 0.86 0.00 -0.69 0.00 0.00 174.62 174.46 1auy s ALA 159 N 1.43 3.30 0.28 7.40 0.00 -1.26 -2.04 121.76 130.87 1auy s ALA 159 Ca 0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1auy s ALA 159 Cb -0.18 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.08 1auy s ALA 159 CO -0.12 -0.43 1.52 -1.14 0.00 0.00 0.00 175.76 175.59 1auy s GLN 160 N -4.81 4.19 0.31 0.00 2.00 -1.26 -4.81 119.66 115.27 1auy s GLN 160 Ca 0.50 2.46 0.07 0.00 -2.00 0.00 0.00 55.36 56.39 1auy s GLN 160 Cb -0.10 -3.05 0.80 0.00 0.80 0.00 0.00 33.01 31.45 1auy s GLN 160 CO 0.47 -0.53 1.75 -1.00 -0.50 0.00 0.00 175.29 175.48 1auy h PRO 161 N 4.73 0.64 -3.80 1.67 0.13 -1.96 -2.83 132.00 130.58 1auy h PRO 161 Ca -0.47 -0.04 -0.79 0.00 -0.87 0.00 0.00 66.00 63.84 1auy h PRO 161 Cb 1.22 -0.14 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 1auy h PRO 161 CO 0.77 0.42 0.10 0.95 -0.23 0.00 0.00 178.00 180.02 1auy s THR 162 N -5.82 5.56 0.39 1.56 -4.23 -1.26 -5.03 115.64 106.80 1auy s THR 162 Ca -0.11 -2.57 -0.24 0.00 -1.18 0.00 0.00 61.69 57.59 1auy s THR 162 Cb 0.26 -4.43 -0.12 0.00 1.34 0.00 0.00 72.50 69.54 1auy s THR 162 CO 0.80 -1.03 0.77 0.00 -0.54 0.00 0.00 174.62 174.61 1auy n ALA 163 N 3.85 -0.85 -1.46 3.99 0.00 -1.07 -4.98 120.51 120.00 1auy n ALA 163 Ca 0.14 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 1auy n ALA 163 Cb 0.46 -1.90 0.06 0.00 0.00 0.00 0.00 19.45 18.07 1auy n ALA 163 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1auy s PRO 164 N -1.69 2.71 0.52 0.00 0.04 -1.26 -4.91 135.00 130.42 1auy s PRO 164 Ca 0.63 1.12 0.27 0.00 0.04 0.00 0.00 61.00 63.06 1auy s PRO 164 Cb -0.62 -1.96 1.45 0.00 0.04 0.00 0.00 34.50 33.41 1auy s PRO 164 CO 0.58 -1.29 2.07 -1.00 0.04 0.00 0.00 177.00 177.41 1auy h PRO 165 N -0.62 0.00 -3.93 0.56 0.13 -1.97 -3.45 132.00 122.72 1auy h PRO 165 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1auy h PRO 165 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1auy h PRO 165 CO 0.54 0.12 -0.28 0.00 -0.23 0.00 0.00 178.00 178.15 1auy s ALA 166 N -4.22 0.16 0.38 -0.56 0.00 -1.26 -5.08 121.76 111.18 1auy s ALA 166 Ca -0.03 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 1auy s ALA 166 Cb 0.13 1.13 -0.11 0.00 0.00 0.00 0.00 23.12 24.26 1auy s ALA 166 CO 0.59 -0.76 1.18 -1.13 0.00 0.00 0.00 175.76 175.64 1auy n SER 167 N -0.33 2.13 0.00 0.00 3.41 -1.26 -4.53 113.62 113.05 1auy n SER 167 Ca -0.01 1.13 0.11 0.00 -0.26 0.00 0.00 58.87 59.84 1auy n SER 167 Cb 0.63 -1.43 0.03 0.00 -0.26 0.00 0.00 64.21 63.18 1auy n SER 167 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1auy n THR 168 N -0.05 0.03 -3.64 6.66 -2.24 -0.37 -4.53 114.28 110.14 1auy n THR 168 Ca 0.07 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1auy n THR 168 Cb 0.37 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 1auy n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1auy s ILE 170 N 0.96 5.09 -0.24 0.00 1.01 -0.41 -2.51 121.20 125.10 1auy s ILE 170 Ca -0.04 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.44 1auy s ILE 170 Cb -0.05 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1auy s ILE 170 CO -0.11 0.51 -0.11 -0.63 0.00 0.00 0.00 174.94 174.60 1auy s ILE 171 N -0.60 2.33 0.28 2.92 1.01 0.16 -0.83 121.20 126.47 1auy s ILE 171 Ca 0.23 -1.35 0.11 0.00 0.00 0.00 0.00 60.65 59.64 1auy s ILE 171 Cb -0.16 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1auy s ILE 171 CO 0.12 0.14 -0.10 0.42 0.00 0.00 0.00 174.94 175.51 1auy s THR 172 N 1.19 2.92 -0.13 2.92 -4.23 -1.10 0.86 115.64 118.07 1auy s THR 172 Ca -0.04 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 1auy s THR 172 Cb -0.18 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1auy s THR 172 CO -0.06 -0.37 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.73 1auy s VAL 173 N -2.43 2.13 0.19 2.29 1.01 0.12 -1.87 120.40 121.84 1auy s VAL 173 Ca 0.31 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1auy s VAL 173 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1auy s VAL 173 CO 0.17 0.55 -0.18 -0.44 0.00 0.00 0.00 175.10 175.20 1auy s SER 174 N 0.71 2.84 0.00 3.32 0.01 -0.90 0.42 113.70 120.11 1auy s SER 174 Ca -0.09 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1auy s SER 174 Cb -0.16 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1auy s SER 174 CO 0.01 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1auy n GLY 175 N 0.09 -1.45 3.05 3.44 0.00 0.12 -0.78 105.19 109.66 1auy n GLY 175 Ca -0.11 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1auy n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1auy s THR 176 N -2.29 1.11 -0.01 2.61 2.01 -0.19 -0.30 115.64 118.57 1auy s THR 176 Ca 0.00 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1auy s THR 176 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1auy s THR 176 CO 0.00 0.34 0.07 -0.76 -0.69 0.00 0.00 174.62 173.58 1auy s LEU 177 N 0.32 3.87 -0.15 4.42 1.43 -0.37 0.88 118.68 129.09 1auy s LEU 177 Ca -0.08 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1auy s LEU 177 Cb -0.12 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1auy s LEU 177 CO 0.02 0.28 -0.20 -0.55 0.23 0.00 0.00 176.35 176.13 1auy s SER 178 N -1.66 3.03 0.18 2.29 0.15 -0.21 -0.80 113.70 116.67 1auy s SER 178 Ca 0.22 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1auy s SER 178 Cb -0.12 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1auy s SER 178 CO 0.13 0.04 0.06 0.00 1.20 0.00 0.00 173.24 174.66 1auy s MET 179 N 1.05 1.10 0.25 5.44 0.00 0.11 -1.28 119.30 125.97 1auy s MET 179 Ca -0.02 -1.55 -0.20 0.00 0.00 0.00 0.00 55.69 53.92 1auy s MET 179 Cb -0.14 0.00 0.07 0.00 0.00 0.00 0.00 34.83 34.76 1auy s MET 179 CO -0.06 -0.24 0.96 -3.38 0.00 0.00 0.00 175.02 172.29 1auy s HIS 180 N -3.89 0.09 -0.11 3.16 -3.43 -0.24 -1.77 115.29 109.09 1auy s HIS 180 Ca 0.29 -0.58 -0.08 0.00 -0.80 0.00 0.00 55.06 53.88 1auy s HIS 180 Cb 0.07 0.75 0.03 0.00 -1.43 0.00 0.00 32.58 32.00 1auy s HIS 180 CO 0.06 -1.14 0.15 0.43 -2.00 0.00 0.00 174.74 172.24 1auy n SER 181 N -1.30 -3.09 -4.70 7.38 7.64 -1.26 -2.18 113.62 116.11 1auy n SER 181 Ca -0.05 1.34 -0.42 0.00 1.01 0.00 0.00 58.87 60.75 1auy n SER 181 Cb 0.60 -4.76 -0.03 0.00 -1.01 0.00 0.00 64.21 59.01 1auy n SER 181 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1auy s PRO 182 N -0.74 4.16 -0.23 1.43 0.02 -1.26 0.67 135.00 139.05 1auy s PRO 182 Ca -0.18 2.49 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 1auy s PRO 182 Cb 0.01 -3.43 0.01 0.00 0.02 0.00 0.00 34.50 31.11 1auy s PRO 182 CO 0.48 -0.76 1.03 -1.17 -0.33 0.00 0.00 177.00 176.25 1auy s LEU 183 N 2.17 4.09 -1.12 -5.54 1.98 -0.37 -4.69 118.68 115.20 1auy s LEU 183 Ca 0.76 1.35 -0.18 0.00 -2.89 0.00 0.00 54.13 53.16 1auy s LEU 183 Cb -0.45 -3.51 0.11 0.00 0.66 0.00 0.00 46.19 43.00 1auy s LEU 183 CO 0.34 -0.66 1.44 -0.63 -1.89 0.00 0.00 176.35 174.95 1auy s ILE 184 N 3.18 4.46 0.00 6.68 -1.09 -1.26 -4.81 121.20 128.36 1auy s ILE 184 Ca 0.43 -1.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1auy s ILE 184 Cb -0.15 -4.99 0.00 0.00 -1.58 0.00 0.00 42.46 35.74 1auy s ILE 184 CO 0.06 -1.78 0.00 1.07 -1.23 0.00 0.00 174.94 173.07 1auy n THR 185 N 5.84 0.00 -3.20 2.92 5.66 -1.26 -5.08 114.28 119.16 1auy n THR 185 Ca 0.36 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.95 1auy n THR 185 Cb 0.47 -0.33 -0.07 0.00 -1.55 0.00 0.00 70.33 68.85 1auy n THR 185 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1auy s ASP 186 N 0.25 6.37 -0.02 1.09 2.15 -1.26 -4.96 116.67 120.29 1auy s ASP 186 Ca 0.00 0.11 0.14 0.00 0.43 0.00 0.00 52.55 53.23 1auy s ASP 186 Cb 0.00 -2.29 0.43 0.00 -0.30 0.00 0.00 42.92 40.76 1auy s ASP 186 CO 0.00 -0.48 1.34 0.35 -0.17 0.00 0.00 175.17 176.21 1auy n THR 187 N 5.43 0.77 0.23 1.71 -2.24 -1.26 -4.23 114.28 114.70 1auy n THR 187 Ca -0.04 -0.67 0.14 0.00 -2.27 0.00 0.00 64.05 61.22 1auy n THR 187 Cb 0.49 0.23 0.72 0.00 -2.10 0.00 0.00 70.33 69.67 1auy n THR 187 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1auy h SER 188 N 2.74 0.00 0.00 3.42 4.64 -2.07 -3.55 113.55 118.73 1auy h SER 188 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1auy h SER 188 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1auy h SER 188 CO 0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.35