#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upm n SER 10 N 0.00 -5.22 -4.84 0.00 3.41 -1.26 -5.04 113.62 100.66 1upm n SER 10 Ca 0.00 1.47 -0.29 0.00 -0.26 0.00 0.00 58.87 59.80 1upm n SER 10 Cb 0.00 -3.58 -0.05 0.00 -0.26 0.00 0.00 64.21 60.32 1upm n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1upm s VAL 11 N -0.34 4.81 0.51 -3.33 0.11 -1.26 -5.09 120.40 115.82 1upm s VAL 11 Ca -0.01 -0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 58.07 1upm s VAL 11 Cb 0.00 -3.39 -0.10 0.00 -1.53 0.00 0.00 36.38 31.36 1upm s VAL 11 CO 0.03 0.03 0.61 1.21 -3.33 0.00 0.00 175.10 173.64 1upm n GLU 12 N 0.03 0.64 -2.22 1.54 0.00 -1.26 -4.92 120.64 114.45 1upm n GLU 12 Ca -0.08 0.24 -0.42 0.00 0.00 0.00 0.00 57.16 56.91 1upm n GLU 12 Cb 0.53 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 1upm n GLU 12 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1upm s PHE 13 N -1.59 3.11 -0.29 4.31 5.36 -1.26 -5.02 117.98 122.60 1upm s PHE 13 Ca 0.67 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 57.60 1upm s PHE 13 Cb -0.50 -3.65 0.08 0.00 -0.34 0.00 0.00 43.02 38.61 1upm s PHE 13 CO 0.55 -2.29 -0.03 0.21 -1.46 0.00 0.00 175.22 172.20 1upm s LYS 14 N 1.60 1.77 0.24 10.12 2.47 -1.26 -5.11 119.74 129.58 1upm s LYS 14 Ca 0.64 -1.46 -0.30 0.00 -1.56 0.00 0.00 55.97 53.29 1upm s LYS 14 Cb -0.34 -2.90 -0.10 0.00 -1.46 0.00 0.00 37.83 33.03 1upm s LYS 14 CO 0.29 -0.73 1.39 0.00 0.16 0.00 0.00 175.35 176.46 1upm s ALA 15 N 1.11 3.59 0.00 3.13 0.00 -1.26 -4.79 121.76 123.53 1upm s ALA 15 Ca -0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1upm s ALA 15 Cb -0.19 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1upm s ALA 15 CO -0.07 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1upm n GLY 16 N 2.16 1.53 3.91 0.00 0.00 -1.26 -4.99 105.19 106.53 1upm n GLY 16 Ca 0.06 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1upm n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upm s VAL 17 N -1.25 5.42 0.19 1.61 -7.23 -1.26 -1.95 120.40 115.93 1upm s VAL 17 Ca 0.00 -0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 1upm s VAL 17 Cb 0.00 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 1upm s VAL 17 CO 0.00 0.29 0.29 -1.59 -0.31 0.00 0.00 175.10 173.78 1upm s LYS 18 N -2.06 1.25 0.51 4.82 -2.85 -1.26 -5.01 119.74 115.14 1upm s LYS 18 Ca 0.29 -1.29 -0.22 0.00 -1.00 0.00 0.00 55.97 53.75 1upm s LYS 18 Cb -0.13 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.96 1upm s LYS 18 CO 0.21 -0.46 1.25 -0.51 0.10 0.00 0.00 175.35 175.94 1upm s ASP 19 N -3.02 5.66 0.33 0.03 1.01 -1.26 -4.93 116.67 114.49 1upm s ASP 19 Ca 0.23 2.52 0.03 0.00 0.71 0.00 0.00 52.55 56.04 1upm s ASP 19 Cb 0.03 -2.62 0.58 0.00 1.01 0.00 0.00 42.92 41.92 1upm s ASP 19 CO 0.04 -1.29 1.88 1.88 0.21 0.00 0.00 175.17 177.90 1upm h TYR 20 N 1.65 0.61 0.00 4.23 0.05 -1.94 -3.08 116.97 118.49 1upm h TYR 20 Ca -0.50 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.20 1upm h TYR 20 Cb 1.28 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1upm h TYR 20 CO 0.49 0.56 -0.10 1.57 -1.05 0.00 0.00 178.16 179.63 1upm h LYS 21 N 0.57 0.00 -0.64 4.88 2.10 -1.86 -0.61 116.57 121.01 1upm h LYS 21 Ca 0.13 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.90 1upm h LYS 21 Cb 0.29 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.58 1upm h LYS 21 CO 0.00 0.10 0.43 -0.07 -2.00 0.00 0.00 179.45 177.92 1upm h LEU 22 N 0.00 0.32 0.00 7.07 3.38 -1.89 -2.98 115.31 121.21 1upm h LEU 22 Ca -0.00 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1upm h LEU 22 Cb 0.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1upm h LEU 22 CO 0.01 0.18 -1.53 0.41 0.09 0.00 0.00 178.44 177.60 1upm n THR 23 N -4.46 0.52 0.21 0.22 -1.04 -0.52 -4.83 114.28 104.38 1upm n THR 23 Ca 0.11 -0.33 0.03 0.00 -2.04 0.00 0.00 64.05 61.82 1upm n THR 23 Cb 0.46 -0.76 0.02 0.00 -1.82 0.00 0.00 70.33 68.23 1upm n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1upm n TYR 24 N -2.27 0.00 -3.79 -1.42 4.01 -0.35 -4.89 117.16 108.45 1upm n TYR 24 Ca -0.12 -0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.25 1upm n TYR 24 Cb 0.74 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.66 1upm n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1upm s TYR 25 N -0.43 3.21 -0.42 -0.72 5.04 -1.13 -1.51 117.35 121.40 1upm s TYR 25 Ca 0.06 -0.03 0.08 0.00 -2.44 0.00 0.00 57.07 54.74 1upm s TYR 25 Cb 0.04 -2.22 0.28 0.00 0.35 0.00 0.00 41.96 40.41 1upm s TYR 25 CO 0.06 -0.07 0.76 2.41 -1.34 0.00 0.00 175.55 177.37 1upm n THR 26 N 4.36 -0.29 0.31 4.34 -1.04 0.69 -4.91 114.28 117.74 1upm n THR 26 Ca -0.16 -3.07 0.14 0.00 -2.04 0.00 0.00 64.05 58.93 1upm n THR 26 Cb 0.52 -0.14 0.66 0.00 -1.82 0.00 0.00 70.33 69.55 1upm n THR 26 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1upm h PRO 27 N 3.64 0.00 -0.02 -2.82 0.13 -1.75 -2.16 132.00 129.03 1upm h PRO 27 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1upm h PRO 27 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1upm h PRO 27 CO 0.38 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.48 1upm n GLU 28 N -2.55 1.59 -2.13 0.86 -0.58 -1.26 -4.82 120.64 111.75 1upm n GLU 28 Ca 0.00 -1.01 -0.42 0.00 -0.42 0.00 0.00 57.16 55.32 1upm n GLU 28 Cb 0.18 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1upm n GLU 28 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1upm s TYR 29 N -2.11 3.18 -0.13 -0.32 5.04 -0.81 -5.01 117.35 117.18 1upm s TYR 29 Ca 0.33 1.05 -0.15 0.00 -2.44 0.00 0.00 57.07 55.86 1upm s TYR 29 Cb 0.20 -3.71 -0.05 0.00 0.35 0.00 0.00 41.96 38.76 1upm s TYR 29 CO 0.37 -2.35 0.35 -1.21 -1.34 0.00 0.00 175.55 171.38 1upm s GLU 30 N 0.25 4.23 0.37 4.97 2.02 -1.26 -5.00 118.70 124.29 1upm s GLU 30 Ca 0.61 0.22 -0.27 0.00 0.02 0.00 0.00 54.97 55.55 1upm s GLU 30 Cb -0.39 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.35 1upm s GLU 30 CO 0.37 0.27 1.23 0.95 0.02 0.00 0.00 175.26 178.10 1upm s THR 31 N 0.34 2.93 0.43 3.63 -4.23 -1.26 -5.02 115.64 112.46 1upm s THR 31 Ca 0.20 0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 61.43 1upm s THR 31 Cb -0.14 -3.50 -0.07 0.00 1.34 0.00 0.00 72.50 70.13 1upm s THR 31 CO 0.07 0.13 0.83 -0.76 -0.54 0.00 0.00 174.62 174.35 1upm s LEU 32 N -2.22 3.80 0.00 4.79 1.43 -1.26 -4.98 118.68 120.23 1upm s LEU 32 Ca 0.54 1.28 0.26 0.00 -1.03 0.00 0.00 54.13 55.18 1upm s LEU 32 Cb -0.35 -4.17 1.25 0.00 0.03 0.00 0.00 46.19 42.95 1upm s LEU 32 CO 0.45 -0.43 1.86 0.47 0.23 0.00 0.00 176.35 178.92 1upm n ASP 33 N -1.28 0.00 -0.51 2.29 8.00 -1.26 -2.11 116.55 121.68 1upm n ASP 33 Ca 0.04 0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.70 1upm n ASP 33 Cb 0.54 -0.33 0.19 0.00 -0.02 0.00 0.00 41.12 41.49 1upm n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1upm n THR 34 N -1.33 0.00 -2.37 -3.53 -2.24 -1.26 -4.53 114.28 99.02 1upm n THR 34 Ca 0.11 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1upm n THR 34 Cb 0.22 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1upm n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 35 N -2.33 6.67 0.01 3.42 1.01 -0.90 -3.45 116.67 121.10 1upm s ASP 35 Ca 0.24 2.27 -0.26 0.00 0.71 0.00 0.00 52.55 55.52 1upm s ASP 35 Cb 0.19 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1upm s ASP 35 CO 0.48 -0.56 0.80 -0.63 0.21 0.00 0.00 175.17 175.46 1upm s ILE 36 N -1.43 4.83 -0.12 0.77 1.09 0.11 -4.17 121.20 122.28 1upm s ILE 36 Ca 0.55 1.68 -0.02 0.00 -1.10 0.00 0.00 60.65 61.77 1upm s ILE 36 Cb -0.29 -4.14 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1upm s ILE 36 CO 0.37 0.29 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.70 1upm s LEU 37 N 0.40 3.29 -0.13 2.97 1.43 -1.05 0.01 118.68 125.59 1upm s LEU 37 Ca 0.41 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1upm s LEU 37 Cb -0.20 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1upm s LEU 37 CO 0.23 0.26 -0.15 0.00 0.23 0.00 0.00 176.35 176.92 1upm s ALA 38 N -0.18 2.52 -0.48 4.21 0.00 0.60 -0.10 121.76 128.33 1upm s ALA 38 Ca 0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 1upm s ALA 38 Cb -0.13 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.88 1upm s ALA 38 CO 0.02 0.19 0.62 0.00 0.00 0.00 0.00 175.76 176.60 1upm s ALA 39 N 0.45 3.37 -0.22 0.00 0.00 -0.95 -0.84 121.76 123.57 1upm s ALA 39 Ca -0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 1upm s ALA 39 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1upm s ALA 39 CO 0.05 -1.92 0.11 -0.06 0.00 0.00 0.00 175.76 173.94 1upm s PHE 40 N 2.69 3.25 -0.68 0.00 0.08 0.16 -1.30 117.98 122.18 1upm s PHE 40 Ca 0.17 0.06 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 1upm s PHE 40 Cb -0.17 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1upm s PHE 40 CO 0.14 0.02 1.41 0.50 -0.10 0.00 0.00 175.22 177.20 1upm s ARG 41 N 0.90 3.12 -0.20 0.44 3.52 0.38 -0.51 118.95 126.59 1upm s ARG 41 Ca 0.06 0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 55.63 1upm s ARG 41 Cb -0.13 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 29.01 1upm s ARG 41 CO 0.03 -2.21 0.10 0.14 -0.81 0.00 0.00 175.30 172.55 1upm s VAL 42 N 6.40 5.03 -0.43 7.11 -7.23 0.81 -1.48 120.40 130.61 1upm s VAL 42 Ca 0.44 0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 60.66 1upm s VAL 42 Cb -0.09 -3.30 0.12 0.00 0.56 0.00 0.00 36.38 33.66 1upm s VAL 42 CO 0.18 0.42 0.21 -0.44 -0.31 0.00 0.00 175.10 175.16 1upm s SER 43 N 0.61 5.13 0.71 4.85 0.01 -0.65 -1.14 113.70 123.23 1upm s SER 43 Ca 0.05 -2.20 -0.12 0.00 1.31 0.00 0.00 55.95 55.00 1upm s SER 43 Cb -0.12 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.33 1upm s SER 43 CO 0.01 -0.48 1.07 -2.84 0.41 0.00 0.00 173.24 171.41 1upm s PRO 44 N 0.89 2.74 0.67 12.44 0.02 -1.25 -0.48 135.00 150.02 1upm s PRO 44 Ca 0.10 1.09 -0.15 0.00 0.02 0.00 0.00 61.00 62.06 1upm s PRO 44 Cb -0.22 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1upm s PRO 44 CO -0.05 -1.27 1.12 -0.65 -0.33 0.00 0.00 177.00 175.83 1upm s GLN 45 N -4.82 2.74 0.20 5.54 -1.52 -0.53 -4.35 119.66 116.93 1upm s GLN 45 Ca 0.60 1.41 -0.32 0.00 -1.95 0.00 0.00 55.36 55.10 1upm s GLN 45 Cb -0.16 -1.94 -0.14 0.00 -0.22 0.00 0.00 33.01 30.55 1upm s GLN 45 CO 0.52 -1.30 1.39 -2.30 -0.25 0.00 0.00 175.29 173.35 1upm n PRO 46 N -2.46 1.81 -0.47 2.91 -0.02 -1.26 -1.82 135.00 133.68 1upm n PRO 46 Ca 0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1upm n PRO 46 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1upm n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upm n GLY 47 N 2.40 0.95 3.41 -1.23 0.00 -1.26 -5.02 105.19 104.44 1upm n GLY 47 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1upm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upm s VAL 48 N -3.05 4.66 0.59 1.61 1.01 -0.76 -5.08 120.40 119.39 1upm s VAL 48 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1upm s VAL 48 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1upm s VAL 48 CO 0.00 -0.14 1.31 -2.16 0.00 0.00 0.00 175.10 174.11 1upm s PRO 49 N 1.59 2.89 0.47 2.72 0.04 -1.26 -4.77 135.00 136.67 1upm s PRO 49 Ca 0.03 2.10 0.12 0.00 0.04 0.00 0.00 61.00 63.29 1upm s PRO 49 Cb -0.18 -2.05 1.08 0.00 0.04 0.00 0.00 34.50 33.39 1upm s PRO 49 CO 0.07 -1.35 2.10 -1.00 0.04 0.00 0.00 177.00 176.86 1upm h PRO 50 N 1.02 0.26 -0.67 0.56 0.13 -1.98 -1.59 132.00 129.73 1upm h PRO 50 Ca -0.51 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1upm h PRO 50 Cb 1.31 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1upm h PRO 50 CO 0.55 0.17 0.32 0.93 -0.23 0.00 0.00 178.00 179.74 1upm h GLU 51 N 0.27 0.97 -0.04 0.86 3.07 -1.99 -0.69 114.58 117.03 1upm h GLU 51 Ca 0.08 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.60 1upm h GLU 51 Cb -0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1upm h GLU 51 CO -0.02 0.77 -0.80 1.49 -1.40 0.00 0.00 179.01 179.05 1upm h GLU 52 N 0.93 0.34 -0.20 2.33 4.57 -1.72 -0.84 114.58 119.99 1upm h GLU 52 Ca 0.23 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1upm h GLU 52 Cb 0.12 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1upm h GLU 52 CO -0.03 0.98 0.05 0.00 -1.18 0.00 0.00 179.01 178.83 1upm h ALA 53 N 0.92 0.26 -0.57 2.92 0.00 -1.14 0.65 119.26 122.30 1upm h ALA 53 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1upm h ALA 53 Cb 1.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1upm h ALA 53 CO 0.13 -0.10 0.10 0.78 0.00 0.00 0.00 179.25 180.16 1upm h GLY 54 N 0.13 1.02 1.00 0.00 0.00 -1.13 -1.59 103.07 102.51 1upm h GLY 54 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1upm h GLY 54 CO 0.00 0.63 0.34 0.00 0.00 0.00 0.00 176.54 177.51 1upm h ALA 55 N 1.01 0.69 -0.07 3.60 0.00 -0.96 -1.62 119.26 121.90 1upm h ALA 55 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1upm h ALA 55 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1upm h ALA 55 CO 0.01 0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.43 1upm h ALA 56 N 1.18 0.07 -0.19 0.00 0.00 -0.63 0.11 119.26 119.80 1upm h ALA 56 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1upm h ALA 56 Cb -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1upm h ALA 56 CO -0.04 -0.46 -0.02 0.28 0.00 0.00 0.00 179.25 179.02 1upm h VAL 57 N 0.05 0.84 -0.44 0.00 2.07 -1.06 -2.29 116.25 115.43 1upm h VAL 57 Ca 0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1upm h VAL 57 Cb 0.02 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1upm h VAL 57 CO -0.03 0.01 0.29 0.00 0.02 0.00 0.00 177.57 177.85 1upm h ALA 58 N 1.17 0.55 -0.38 1.67 0.00 -1.07 -2.29 119.26 118.91 1upm h ALA 58 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1upm h ALA 58 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1upm h ALA 58 CO -0.17 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.28 1upm h ALA 59 N 1.16 0.49 -0.00 0.00 0.00 -0.57 -3.15 119.26 117.19 1upm h ALA 59 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 59 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1upm h ALA 59 CO -0.04 0.04 -0.25 -1.91 0.00 0.00 0.00 179.25 177.09 1upm n GLU 60 N -4.73 0.52 -0.88 0.00 4.07 -0.88 0.61 120.64 119.36 1upm n GLU 60 Ca -0.00 -0.25 0.06 0.00 -0.06 0.00 0.00 57.16 56.91 1upm n GLU 60 Cb 0.09 -1.49 0.39 0.00 -0.06 0.00 0.00 31.44 30.37 1upm n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1upm n SER 61 N -1.02 5.54 0.00 4.31 3.41 -0.87 -4.75 113.62 120.24 1upm n SER 61 Ca 0.11 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1upm n SER 61 Cb 0.32 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1upm n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1upm n SER 62 N 0.46 0.00 0.00 4.04 3.41 -1.08 -4.55 113.62 115.91 1upm n SER 62 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1upm n SER 62 Cb 1.20 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1upm n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1upm n THR 63 N -1.03 0.00 -3.99 6.66 -2.24 -0.77 -4.94 114.28 107.98 1upm n THR 63 Ca 0.00 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 1upm n THR 63 Cb 0.00 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1upm n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1upm s GLY 64 N -0.88 1.65 0.00 3.38 0.00 0.20 -5.02 107.32 106.65 1upm s GLY 64 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1upm s GLY 64 CO 0.00 -1.11 0.00 -0.37 0.00 0.00 0.00 173.10 171.62 1upm n THR 65 N -0.61 0.00 0.48 0.90 5.66 -1.26 -4.18 114.28 115.27 1upm n THR 65 Ca -0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.05 1upm n THR 65 Cb 0.55 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.50 1upm n THR 65 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 1upm h TRP 66 N 0.00 0.00 -3.97 1.09 5.08 -1.99 -3.46 115.95 112.69 1upm h TRP 66 Ca 0.00 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.64 1upm h TRP 66 Cb 0.00 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.01 1upm h TRP 66 CO 0.00 0.00 -0.61 -0.08 -1.28 0.00 0.00 178.44 176.47 1upm s THR 67 N -3.19 0.41 -0.01 0.12 -1.32 -1.26 -4.69 115.64 105.71 1upm s THR 67 Ca 0.06 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.29 1upm s THR 67 Cb 0.12 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.47 1upm s THR 67 CO 0.71 0.00 0.74 -0.89 -2.21 0.00 0.00 174.62 172.97 1upm s THR 68 N -3.84 4.88 -0.11 5.08 2.01 -0.82 -4.99 115.64 117.85 1upm s THR 68 Ca 0.38 1.56 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 1upm s THR 68 Cb 0.07 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1upm s THR 68 CO 0.14 0.31 -0.11 0.68 -0.69 0.00 0.00 174.62 174.95 1upm s VAL 69 N 0.35 3.30 0.52 3.82 -7.23 -1.26 -4.47 120.40 115.42 1upm s VAL 69 Ca 0.39 -0.59 0.16 0.00 -1.81 0.00 0.00 61.98 60.13 1upm s VAL 69 Cb -0.19 -2.38 0.26 0.00 0.56 0.00 0.00 36.38 34.64 1upm s VAL 69 CO 0.21 0.54 2.14 4.11 -0.31 0.00 0.00 175.10 181.79 1upm h TRP 70 N 6.26 0.00 0.00 2.82 5.08 -1.96 -3.04 115.95 125.11 1upm h TRP 70 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.64 1upm h TRP 70 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1upm h TRP 70 CO 0.52 0.02 0.00 0.25 -1.28 0.00 0.00 178.44 177.94 1upm n THR 71 N -4.48 1.20 -0.20 0.12 -2.24 -1.26 -2.45 114.28 104.96 1upm n THR 71 Ca -0.03 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 1upm n THR 71 Cb 0.11 -1.10 0.44 0.00 -2.10 0.00 0.00 70.33 67.68 1upm n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1upm h ASP 72 N 0.00 0.52 0.53 3.42 3.32 -1.91 -2.41 116.42 119.89 1upm h ASP 72 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1upm h ASP 72 Cb 0.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1upm h ASP 72 CO 0.00 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.41 1upm n GLY 73 N -1.48 -1.04 0.16 2.75 0.00 -1.03 -2.46 105.19 102.10 1upm n GLY 73 Ca 0.15 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1upm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upm h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.65 -3.47 115.31 114.56 1upm h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 74 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1upm h LEU 74 CO 0.00 0.34 0.00 0.35 0.09 0.00 0.00 178.44 179.22 1upm n THR 75 N -3.18 0.00 -3.82 0.22 -2.24 -1.03 -5.10 114.28 99.14 1upm n THR 75 Ca 0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1upm n THR 75 Cb 0.67 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1upm n THR 75 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1upm s ASN 76 N -0.53 4.86 0.24 3.42 3.84 -1.26 -4.96 114.94 120.55 1upm s ASN 76 Ca 0.00 -2.91 -0.07 0.00 0.21 0.00 0.00 52.86 50.09 1upm s ASN 76 Cb 0.00 -1.77 0.24 0.00 -0.55 0.00 0.00 41.25 39.18 1upm s ASN 76 CO 0.00 -0.31 1.92 0.25 -2.79 0.00 0.00 177.10 176.16 1upm h LEU 77 N 6.83 1.08 -1.67 3.21 5.85 -2.00 -2.26 115.31 126.36 1upm h LEU 77 Ca -0.04 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1upm h LEU 77 Cb 0.93 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1upm h LEU 77 CO 0.70 0.78 -0.19 0.44 -0.34 0.00 0.00 178.44 179.83 1upm h ASP 78 N 1.28 0.00 1.68 1.25 3.32 -1.95 0.13 116.42 122.13 1upm h ASP 78 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1upm h ASP 78 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1upm h ASP 78 CO -0.08 0.19 0.00 0.08 -1.72 0.00 0.00 179.24 177.71 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.84 -3.36 114.38 112.85 1upm h ARG 79 Ca -0.00 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 1upm h ARG 79 Cb 0.35 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.39 1upm h ARG 79 CO 0.02 0.00 -2.05 0.66 0.10 0.00 0.00 179.97 178.71 1upm n TYR 80 N -2.67 0.00 -1.76 4.08 4.01 -0.59 -4.86 117.16 115.38 1upm n TYR 80 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1upm n TYR 80 Cb 0.46 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 1upm n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1upm n LYS 81 N -2.46 2.50 -1.72 -0.72 2.85 0.36 -4.59 118.16 114.38 1upm n LYS 81 Ca -0.20 0.88 -0.32 0.00 -1.05 0.00 0.00 58.31 57.62 1upm n LYS 81 Cb 0.86 -2.59 0.04 0.00 -0.65 0.00 0.00 35.03 32.69 1upm n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1upm s GLY 82 N -0.22 1.91 -0.16 2.58 0.00 -1.26 -4.64 107.32 105.53 1upm s GLY 82 Ca 0.55 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.46 1upm s GLY 82 CO 0.63 0.62 0.39 1.09 0.00 0.00 0.00 173.10 175.83 1upm s ARG 83 N -4.53 0.39 -0.35 2.90 1.70 -0.57 -4.66 118.95 113.83 1upm s ARG 83 Ca 0.62 0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 56.31 1upm s ARG 83 Cb -0.16 0.03 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1upm s ARG 83 CO 0.47 -0.13 1.01 0.00 -1.08 0.00 0.00 175.30 175.56 1upm n TYR 85 N 6.88 0.00 -3.65 0.00 4.11 -0.61 -0.22 117.16 123.68 1upm n TYR 85 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.86 1upm n TYR 85 Cb 0.48 -0.02 -0.08 0.00 -0.00 0.00 0.00 39.34 39.72 1upm n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1upm s HIS 86 N -1.73 -0.68 -0.08 -3.48 5.04 -1.23 -4.29 115.29 108.84 1upm s HIS 86 Ca 0.02 1.62 0.00 0.00 -1.54 0.00 0.00 55.06 55.16 1upm s HIS 86 Cb 0.05 0.25 0.02 0.00 0.04 0.00 0.00 32.58 32.95 1upm s HIS 86 CO 0.28 -0.37 -0.06 0.42 -2.34 0.00 0.00 174.74 172.67 1upm s ILE 87 N 0.15 0.80 -0.10 0.89 1.01 -1.26 -1.36 121.20 121.33 1upm s ILE 87 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1upm s ILE 87 Cb -0.04 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1upm s ILE 87 CO 0.02 0.31 -0.16 -0.70 0.00 0.00 0.00 174.94 174.41 1upm s GLU 88 N 1.39 2.22 0.38 2.79 2.12 -0.24 -5.01 118.70 122.35 1upm s GLU 88 Ca -0.02 -0.57 -0.25 0.00 0.36 0.00 0.00 54.97 54.49 1upm s GLU 88 Cb -0.13 -1.85 -0.09 0.00 0.26 0.00 0.00 34.13 32.32 1upm s GLU 88 CO -0.03 -0.02 1.08 -1.25 -0.54 0.00 0.00 175.26 174.50 1upm s PRO 89 N 0.85 4.21 -0.19 4.30 0.04 -1.26 -0.17 135.00 142.77 1upm s PRO 89 Ca -0.10 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 1upm s PRO 89 Cb -0.15 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 1upm s PRO 89 CO 0.01 -0.13 0.56 0.08 0.04 0.00 0.00 177.00 177.55 1upm s VAL 90 N -1.52 5.08 0.06 -0.36 1.01 -0.39 -4.80 120.40 119.47 1upm s VAL 90 Ca 0.56 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.27 1upm s VAL 90 Cb -0.25 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1upm s VAL 90 CO 0.32 0.16 1.62 0.00 0.00 0.00 0.00 175.10 177.20 1upm s ALA 91 N 1.67 3.67 0.00 5.51 0.00 -1.26 -2.31 121.76 129.03 1upm s ALA 91 Ca 0.26 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1upm s ALA 91 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1upm s ALA 91 CO 0.10 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1upm n GLY 92 N 3.95 0.74 3.05 0.00 0.00 -1.26 -5.04 105.19 106.63 1upm n GLY 92 Ca 0.15 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1upm n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 93 N -0.58 1.67 -0.05 1.61 0.41 -0.98 -5.11 118.70 115.67 1upm s GLU 93 Ca 0.00 -0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.81 1upm s GLU 93 Cb 0.00 -1.40 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 1upm s GLU 93 CO 0.00 0.09 1.08 -1.83 -0.49 0.00 0.00 175.26 174.10 1upm s GLU 94 N 0.47 4.43 -1.48 1.61 1.03 -1.26 -4.38 118.70 119.12 1upm s GLU 94 Ca -0.11 1.52 -0.09 0.00 0.03 0.00 0.00 54.97 56.31 1upm s GLU 94 Cb -0.14 -3.51 0.06 0.00 -0.80 0.00 0.00 34.13 29.74 1upm s GLU 94 CO 0.03 -0.29 0.83 -1.71 -1.33 0.00 0.00 175.26 172.79 1upm n ASN 95 N 4.72 -3.23 -3.92 0.83 5.15 -1.26 -4.98 115.26 112.58 1upm n ASN 95 Ca 0.09 -0.84 -0.21 0.00 -0.60 0.00 0.00 54.58 53.01 1upm n ASN 95 Cb 0.48 -3.70 -0.16 0.00 -0.53 0.00 0.00 39.78 35.87 1upm n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1upm s GLN 96 N -6.49 1.02 0.03 1.20 0.74 -1.26 -3.93 119.66 110.97 1upm s GLN 96 Ca 0.44 -0.17 0.05 0.00 0.05 0.00 0.00 55.36 55.72 1upm s GLN 96 Cb -0.22 -0.98 -0.02 0.00 1.10 0.00 0.00 33.01 32.89 1upm s GLN 96 CO 0.84 -0.07 -0.14 0.71 -0.55 0.00 0.00 175.29 176.09 1upm s TYR 97 N 0.90 1.20 -0.38 1.67 1.51 -0.29 -1.26 117.35 120.69 1upm s TYR 97 Ca -0.11 -0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 55.35 1upm s TYR 97 Cb -0.15 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1upm s TYR 97 CO 0.01 0.03 0.91 0.42 -1.11 0.00 0.00 175.55 175.80 1upm s ILE 98 N -0.81 4.58 -0.19 2.71 -1.09 0.76 -0.13 121.20 127.03 1upm s ILE 98 Ca 0.02 1.09 -0.06 0.00 -2.23 0.00 0.00 60.65 59.46 1upm s ILE 98 Cb -0.08 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1upm s ILE 98 CO 0.01 -0.58 0.03 0.00 -1.23 0.00 0.00 174.94 173.18 1upm s TYR 100 N 0.70 3.32 -0.02 0.00 1.51 -0.46 -0.66 117.35 121.73 1upm s TYR 100 Ca 0.02 0.25 0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1upm s TYR 100 Cb -0.14 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1upm s TYR 100 CO 0.02 0.08 -0.19 0.08 -1.11 0.00 0.00 175.55 174.43 1upm s VAL 101 N 1.02 1.48 -0.08 0.71 1.01 -0.02 -1.57 120.40 122.94 1upm s VAL 101 Ca 0.08 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1upm s VAL 101 Cb -0.13 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1upm s VAL 101 CO 0.04 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1upm s ALA 102 N -0.38 2.61 -0.10 5.51 0.00 0.08 -0.29 121.76 129.19 1upm s ALA 102 Ca 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1upm s ALA 102 Cb -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1upm s ALA 102 CO -0.00 0.42 -0.13 0.71 0.00 0.00 0.00 175.76 176.75 1upm s TYR 103 N -0.23 1.76 0.53 0.00 2.02 0.10 -1.51 117.35 120.01 1upm s TYR 103 Ca 0.01 -0.81 -0.22 0.00 -0.37 0.00 0.00 57.07 55.68 1upm s TYR 103 Cb -0.13 -1.31 -0.06 0.00 -0.40 0.00 0.00 41.96 40.06 1upm s TYR 103 CO 0.03 -0.45 1.25 -2.30 -1.57 0.00 0.00 175.55 172.51 1upm n PRO 104 N 4.29 1.57 -0.31 -1.71 -0.02 -1.26 0.05 135.00 137.61 1upm n PRO 104 Ca -0.19 0.58 0.16 0.00 -2.02 0.00 0.00 63.50 62.03 1upm n PRO 104 Cb 0.51 -2.43 0.34 0.00 -0.02 0.00 0.00 33.50 31.89 1upm n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upm h LEU 105 N 1.39 0.23 -0.77 2.45 5.85 -1.92 -2.32 115.31 120.22 1upm h LEU 105 Ca -0.49 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1upm h LEU 105 Cb 1.32 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1upm h LEU 105 CO 0.56 -0.10 0.00 0.47 -0.34 0.00 0.00 178.44 179.04 1upm n ASP 106 N -5.12 0.53 0.27 1.25 9.92 -1.26 -2.67 116.55 119.47 1upm n ASP 106 Ca 0.24 0.66 0.17 0.00 -0.53 0.00 0.00 54.79 55.33 1upm n ASP 106 Cb 0.74 -0.76 0.63 0.00 -0.64 0.00 0.00 41.12 41.09 1upm n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1upm h LEU 107 N 0.00 0.00 -9.38 0.64 3.38 -1.78 -3.46 115.31 104.71 1upm h LEU 107 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1upm h LEU 107 Cb 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.86 1upm h LEU 107 CO 0.00 0.00 -0.60 -0.36 0.09 0.00 0.00 178.44 177.57 1upm s PHE 108 N -3.62 3.22 -0.04 1.13 0.08 -1.09 -5.06 117.98 112.60 1upm s PHE 108 Ca 0.02 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.99 1upm s PHE 108 Cb 0.09 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1upm s PHE 108 CO 0.56 0.51 1.03 -2.00 -0.10 0.00 0.00 175.22 175.22 1upm s GLU 109 N -1.11 4.48 0.31 0.44 2.12 -1.26 -5.01 118.70 118.66 1upm s GLU 109 Ca 0.16 1.47 -0.29 0.00 0.36 0.00 0.00 54.97 56.66 1upm s GLU 109 Cb -0.12 -3.49 -0.12 0.00 0.26 0.00 0.00 34.13 30.67 1upm s GLU 109 CO 0.05 -0.20 1.41 0.39 -0.54 0.00 0.00 175.26 176.37 1upm n GLU 110 N 4.41 2.29 -0.92 4.30 4.71 -1.26 -2.82 120.64 131.35 1upm n GLU 110 Ca 0.08 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.03 1upm n GLU 110 Cb 0.49 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 1upm n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upm n GLY 111 N 1.39 0.34 3.08 0.62 0.00 -1.22 -4.99 105.19 104.42 1upm n GLY 111 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1upm n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upm s SER 112 N -2.17 5.10 0.24 1.61 0.15 -1.13 -4.91 113.70 112.60 1upm s SER 112 Ca 0.00 -2.52 -0.05 0.00 0.70 0.00 0.00 55.95 54.08 1upm s SER 112 Cb 0.00 -1.80 0.39 0.00 -1.71 0.00 0.00 66.02 62.90 1upm s SER 112 CO 0.00 -0.42 1.78 0.58 1.20 0.00 0.00 173.24 176.38 1upm h VAL 113 N 5.79 0.84 -0.61 4.45 2.07 -1.94 -2.40 116.25 124.45 1upm h VAL 113 Ca -0.07 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.34 1upm h VAL 113 Cb 0.98 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 1upm h VAL 113 CO 0.69 0.12 -0.33 0.74 0.02 0.00 0.00 177.57 178.82 1upm h THR 114 N 0.66 0.17 -0.42 2.57 2.02 -1.91 -0.80 112.91 115.19 1upm h THR 114 Ca 0.39 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.52 1upm h THR 114 Cb 0.43 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1upm h THR 114 CO -0.28 0.00 0.06 -1.13 0.37 0.00 0.00 175.52 174.54 1upm h ASN 115 N -0.15 0.61 0.07 4.18 -0.73 -1.80 -1.11 115.58 116.65 1upm h ASN 115 Ca 0.24 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 1upm h ASN 115 Cb 0.55 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1upm h ASN 115 CO -0.69 0.64 -0.03 -0.03 -0.37 0.00 0.00 177.43 176.95 1upm h MET 116 N 0.63 -0.09 -0.83 6.67 4.05 -0.91 -2.41 114.93 122.04 1upm h MET 116 Ca 0.14 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1upm h MET 116 Cb 0.30 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 1upm h MET 116 CO 0.00 0.21 0.53 0.74 0.23 0.00 0.00 176.91 178.62 1upm h PHE 117 N -0.38 1.07 -0.38 1.39 0.04 -1.20 -2.26 116.94 115.21 1upm h PHE 117 Ca -0.01 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1upm h PHE 117 Cb 0.33 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 1upm h PHE 117 CO 0.02 0.69 0.13 1.15 -0.60 0.00 0.00 178.31 179.71 1upm h THR 118 N 1.14 0.89 0.21 -1.55 2.02 -0.82 -1.16 112.91 113.63 1upm h THR 118 Ca 0.30 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1upm h THR 118 Cb -0.09 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1upm h THR 118 CO -0.06 0.05 -0.10 0.28 0.37 0.00 0.00 175.52 176.06 1upm h SER 119 N 0.29 -0.24 1.43 4.18 0.02 -1.36 -2.40 113.55 115.47 1upm h SER 119 Ca 0.17 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1upm h SER 119 Cb 0.15 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1upm h SER 119 CO -0.18 0.00 -0.58 0.40 -1.14 0.00 0.00 176.83 175.33 1upm h ILE 120 N -0.48 0.83 0.00 3.27 2.04 -1.00 -3.30 117.51 118.87 1upm h ILE 120 Ca -0.03 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1upm h ILE 120 Cb 0.36 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1upm h ILE 120 CO 0.05 0.47 -0.10 0.52 0.00 0.00 0.00 178.15 179.09 1upm n VAL 121 N -3.19 0.58 0.12 1.67 0.31 -0.47 -4.87 118.33 112.48 1upm n VAL 121 Ca 0.01 -0.64 -0.06 0.00 -0.01 0.00 0.00 64.34 63.63 1upm n VAL 121 Cb 0.74 0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 34.20 1upm n VAL 121 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1upm h GLY 122 N 0.00 -0.42 0.00 2.92 0.00 -1.41 -3.43 103.07 100.74 1upm h GLY 122 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1upm h GLY 122 CO 0.00 -0.15 -1.07 0.70 0.00 0.00 0.00 176.54 176.02 1upm n ASN 123 N -5.04 4.71 0.26 0.19 3.02 -1.26 -4.85 115.26 112.27 1upm n ASN 123 Ca -0.05 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 1upm n ASN 123 Cb 0.16 0.78 0.67 0.00 -0.61 0.00 0.00 39.78 40.79 1upm n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1upm h VAL 124 N 0.00 0.46 0.00 2.41 -1.51 -1.85 -2.76 116.25 113.00 1upm h VAL 124 Ca -0.02 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1upm h VAL 124 Cb 0.59 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1upm h VAL 124 CO 0.00 0.13 0.00 0.49 -1.23 0.00 0.00 177.57 176.96 1upm n PHE 125 N -3.46 0.00 -0.08 5.19 3.01 -1.26 -2.95 117.46 117.90 1upm n PHE 125 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 1upm n PHE 125 Cb 0.29 -0.31 0.08 0.00 -0.01 0.00 0.00 39.48 39.53 1upm n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upm n GLY 126 N -0.20 2.80 3.62 1.37 0.00 -1.04 -4.84 105.19 106.90 1upm n GLY 126 Ca 0.06 -0.19 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 1upm n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upm n PHE 127 N 0.02 1.75 -0.30 1.61 3.72 -1.15 -4.88 117.46 118.22 1upm n PHE 127 Ca 0.06 0.53 -0.00 0.00 -0.05 0.00 0.00 57.45 57.98 1upm n PHE 127 Cb 0.33 -2.39 0.19 0.00 -0.94 0.00 0.00 39.48 36.67 1upm n PHE 127 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1upm h LYS 128 N 4.52 1.13 0.00 -1.08 1.57 -1.95 -2.56 116.57 118.20 1upm h LYS 128 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1upm h LYS 128 Cb 1.31 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1upm h LYS 128 CO 0.78 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 180.41 1upm n ALA 129 N -2.40 1.68 -2.55 3.86 0.00 -1.26 -4.64 120.51 115.20 1upm n ALA 129 Ca 0.10 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 1upm n ALA 129 Cb 0.04 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1upm n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upm s LEU 130 N -2.65 2.99 0.10 0.00 1.43 -0.96 -1.45 118.68 118.15 1upm s LEU 130 Ca 0.10 -0.25 0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1upm s LEU 130 Cb 0.08 -1.73 -0.12 0.00 0.03 0.00 0.00 46.19 44.44 1upm s LEU 130 CO 0.19 0.27 1.03 0.03 0.23 0.00 0.00 176.35 178.09 1upm h ARG 131 N 4.46 0.00 -1.76 1.70 3.08 -0.97 -3.44 114.38 117.44 1upm h ARG 131 Ca -0.48 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.67 1upm h ARG 131 Cb 1.16 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.01 1upm h ARG 131 CO 0.52 0.52 0.55 0.00 -1.07 0.00 0.00 179.97 180.49 1upm s ALA 132 N -2.82 -1.91 -0.15 0.04 0.00 -1.08 -5.03 121.76 110.81 1upm s ALA 132 Ca -0.01 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 1upm s ALA 132 Cb 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1upm s ALA 132 CO 0.80 -0.44 0.38 -1.17 0.00 0.00 0.00 175.76 175.33 1upm s LEU 133 N -1.58 0.20 -0.05 0.00 2.96 -1.22 -1.64 118.68 117.35 1upm s LEU 133 Ca 0.01 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1upm s LEU 133 Cb -0.01 1.26 0.02 0.00 0.50 0.00 0.00 46.19 47.96 1upm s LEU 133 CO -0.02 -0.17 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.22 1upm s ARG 134 N 0.96 0.61 -0.30 1.98 3.52 -0.55 -0.55 118.95 124.62 1upm s ARG 134 Ca -0.06 0.01 -0.23 0.00 -0.13 0.00 0.00 55.73 55.31 1upm s ARG 134 Cb -0.07 -0.76 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 1upm s ARG 134 CO -0.08 -0.16 0.79 -1.17 -0.81 0.00 0.00 175.30 173.88 1upm s LEU 135 N 1.23 4.09 -0.08 -0.88 2.96 -0.22 -0.47 118.68 125.31 1upm s LEU 135 Ca -0.06 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1upm s LEU 135 Cb -0.14 -3.08 -0.24 0.00 0.50 0.00 0.00 46.19 43.23 1upm s LEU 135 CO -0.02 -0.61 0.53 -0.62 -1.32 0.00 0.00 176.35 174.31 1upm n GLU 136 N 6.19 0.69 -3.50 1.98 -0.58 -0.42 -0.93 120.64 124.08 1upm n GLU 136 Ca 0.04 0.28 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 1upm n GLU 136 Cb 0.48 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1upm n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1upm s ASP 137 N -6.51 -0.45 -0.01 1.62 -1.08 -1.23 -4.55 116.67 104.46 1upm s ASP 137 Ca -0.13 0.19 0.02 0.00 -0.52 0.00 0.00 52.55 52.11 1upm s ASP 137 Cb 0.07 0.43 -0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1upm s ASP 137 CO 0.80 -0.63 -0.07 -0.76 0.52 0.00 0.00 175.17 175.03 1upm s LEU 138 N -2.07 1.90 -0.45 -1.34 1.43 -1.26 -2.24 118.68 114.66 1upm s LEU 138 Ca 0.01 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 1upm s LEU 138 Cb -0.01 -0.40 0.05 0.00 0.03 0.00 0.00 46.19 45.86 1upm s LEU 138 CO -0.05 0.07 0.42 -0.60 0.23 0.00 0.00 176.35 176.42 1upm s ARG 139 N 0.00 3.02 -0.34 1.70 3.00 0.86 -4.93 118.95 122.27 1upm s ARG 139 Ca 0.00 -1.09 -0.18 0.00 -1.00 0.00 0.00 55.73 53.46 1upm s ARG 139 Cb -0.05 -4.06 -0.01 0.00 0.00 0.00 0.00 34.95 30.83 1upm s ARG 139 CO -0.00 -0.97 0.51 0.42 0.00 0.00 0.00 175.30 175.27 1upm s ILE 140 N 1.90 5.02 0.55 4.11 1.01 -1.26 -2.55 121.20 129.98 1upm s ILE 140 Ca 0.08 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 1upm s ILE 140 Cb -0.21 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1upm s ILE 140 CO 0.10 -0.20 1.20 -2.16 0.00 0.00 0.00 174.94 173.88 1upm s PRO 141 N 2.39 3.25 0.46 2.79 0.04 -1.26 -4.69 135.00 137.98 1upm s PRO 141 Ca 0.19 1.83 0.20 0.00 0.04 0.00 0.00 61.00 63.26 1upm s PRO 141 Cb -0.15 -2.10 1.11 0.00 0.04 0.00 0.00 34.50 33.40 1upm s PRO 141 CO 0.13 -0.99 1.97 -0.39 0.04 0.00 0.00 177.00 177.77 1upm h VAL 142 N 1.25 0.90 0.00 -0.36 -1.51 -1.84 -1.06 116.25 113.62 1upm h VAL 142 Ca -0.50 -0.79 -0.06 0.00 -1.23 0.00 0.00 66.70 64.12 1upm h VAL 142 Cb 1.28 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 1upm h VAL 142 CO 0.57 0.21 -0.27 0.00 -1.23 0.00 0.00 177.57 176.85 1upm h ALA 143 N 1.79 1.42 0.09 5.19 0.00 -1.91 -2.39 119.26 123.45 1upm h ALA 143 Ca -0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.34 1upm h ALA 143 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1upm h ALA 143 CO 0.03 0.33 -1.73 -0.92 0.00 0.00 0.00 179.25 176.96 1upm h TYR 144 N 0.00 0.34 -0.87 0.00 3.20 -1.59 -3.34 116.97 114.71 1upm h TYR 144 Ca -0.00 -0.25 0.16 0.00 3.14 0.00 0.00 58.73 61.78 1upm h TYR 144 Cb 0.52 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.67 1upm h TYR 144 CO 0.00 1.42 0.44 0.28 -1.64 0.00 0.00 178.16 178.66 1upm h VAL 145 N 0.05 0.69 0.00 1.81 2.07 -1.10 -1.50 116.25 118.27 1upm h VAL 145 Ca -0.31 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1upm h VAL 145 Cb 2.02 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1upm h VAL 145 CO 0.12 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.10 1upm n LYS 146 N -4.89 0.20 0.00 1.57 4.76 -0.92 -2.04 118.16 116.85 1upm n LYS 146 Ca 0.18 0.45 0.14 0.00 -2.87 0.00 0.00 58.31 56.21 1upm n LYS 146 Cb 0.48 -1.89 0.82 0.00 -1.84 0.00 0.00 35.03 32.59 1upm n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1upm n THR 147 N -2.27 0.00 -4.27 -0.18 -2.24 -0.56 -4.87 114.28 99.88 1upm n THR 147 Ca 0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 1upm n THR 147 Cb 0.21 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 1upm n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1upm s PHE 148 N -2.00 2.63 0.14 4.78 0.08 -0.86 -3.39 117.98 119.35 1upm s PHE 148 Ca 0.41 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 1upm s PHE 148 Cb 0.19 -1.35 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 1upm s PHE 148 CO 0.32 0.45 1.32 0.37 -0.10 0.00 0.00 175.22 177.57 1upm h GLN 149 N 3.38 0.30 0.00 0.44 4.15 -1.87 -3.51 115.11 118.00 1upm h GLN 149 Ca -0.48 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.59 1upm h GLN 149 Cb 1.18 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1upm h GLN 149 CO 0.51 1.05 0.00 0.41 -1.93 0.00 0.00 178.83 178.87 1upm n GLY 150 N 0.98 -1.20 3.55 2.39 0.00 -0.77 -4.84 105.19 105.31 1upm n GLY 150 Ca -0.05 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1upm n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1upm n PRO 151 N -0.46 0.97 -0.24 1.61 -0.02 -1.24 -4.37 135.00 131.26 1upm n PRO 151 Ca 0.00 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.78 1upm n PRO 151 Cb 0.00 -1.88 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1upm n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upm h PRO 152 N 1.02 0.90 0.00 0.52 0.11 -1.84 -3.42 132.00 129.29 1upm h PRO 152 Ca -0.44 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1upm h PRO 152 Cb 1.37 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1upm h PRO 152 CO 0.53 0.64 0.00 0.72 -0.21 0.00 0.00 178.00 179.69 1upm n HIS 153 N -4.57 -0.24 0.00 0.65 8.25 -1.26 -4.71 115.22 113.34 1upm n HIS 153 Ca 0.05 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1upm n HIS 153 Cb 0.06 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1upm n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upm n GLY 154 N 3.27 0.18 0.22 -1.41 0.00 -1.26 -4.55 105.19 101.64 1upm n GLY 154 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.26 1upm n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upm h ILE 155 N 0.00 0.67 0.21 -0.61 2.04 -1.70 -1.59 117.51 116.54 1upm h ILE 155 Ca 0.00 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1upm h ILE 155 Cb 0.00 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1upm h ILE 155 CO 0.00 0.05 -0.10 -0.61 0.00 0.00 0.00 178.15 177.49 1upm h GLN 156 N 0.27 -0.28 -0.53 2.37 4.15 -1.89 -2.42 115.11 116.78 1upm h GLN 156 Ca 0.30 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 1upm h GLN 156 Cb 0.42 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1upm h GLN 156 CO -0.37 -0.08 0.14 0.28 -1.93 0.00 0.00 178.83 176.87 1upm h VAL 157 N -0.43 1.22 -0.08 2.39 2.07 -1.76 -1.92 116.25 117.74 1upm h VAL 157 Ca -0.03 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1upm h VAL 157 Cb 0.33 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1upm h VAL 157 CO 0.05 0.29 0.04 -0.08 0.02 0.00 0.00 177.57 177.89 1upm h GLU 158 N 0.78 0.11 -0.92 1.57 4.81 -1.21 0.23 114.58 119.96 1upm h GLU 158 Ca 0.17 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1upm h GLU 158 Cb 0.27 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1upm h GLU 158 CO -0.00 0.19 0.60 0.00 -0.73 0.00 0.00 179.01 179.07 1upm h ARG 159 N 0.00 1.03 -0.34 1.92 3.08 -1.27 -1.92 114.38 116.89 1upm h ARG 159 Ca 0.03 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1upm h ARG 159 Cb 0.12 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1upm h ARG 159 CO -0.00 0.68 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.80 1upm h ASP 160 N 1.06 0.88 -0.67 7.04 3.32 -0.84 0.99 116.42 128.22 1upm h ASP 160 Ca 0.39 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1upm h ASP 160 Cb 0.17 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1upm h ASP 160 CO -0.14 1.18 0.39 0.11 -1.72 0.00 0.00 179.24 179.05 1upm h LYS 161 N 0.61 0.92 0.00 3.56 1.79 -0.33 -3.13 116.57 120.00 1upm h LYS 161 Ca 0.05 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1upm h LYS 161 Cb 0.93 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1upm h LYS 161 CO 0.09 0.67 -0.41 1.28 -1.08 0.00 0.00 179.45 179.99 1upm n LEU 162 N -4.55 0.42 -3.12 2.94 4.77 -0.74 -4.95 117.00 111.78 1upm n LEU 162 Ca 0.05 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 1upm n LEU 162 Cb 0.07 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1upm n LEU 162 CO 0.37 0.09 0.15 -3.20 -1.33 0.00 0.00 177.39 173.47 1upm n ASN 163 N -1.55 -5.89 -4.10 -1.43 4.05 0.29 -4.66 115.26 101.97 1upm n ASN 163 Ca 0.06 -0.41 -0.32 0.00 0.45 0.00 0.00 54.58 54.35 1upm n ASN 163 Cb 0.34 -4.57 -0.16 0.00 1.23 0.00 0.00 39.78 36.62 1upm n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upm s LYS 164 N -6.00 2.87 0.00 1.20 1.02 -0.90 -5.04 119.74 112.89 1upm s LYS 164 Ca 0.45 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 1upm s LYS 164 Cb -0.20 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1upm s LYS 164 CO 0.56 -0.20 0.00 0.71 -0.92 0.00 0.00 175.35 175.50 1upm s TYR 165 N 1.29 0.05 0.00 3.18 2.02 -1.26 -4.69 117.35 117.94 1upm s TYR 165 Ca 0.04 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1upm s TYR 165 Cb -0.13 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.39 1upm s TYR 165 CO -0.12 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1upm n GLY 166 N 2.73 0.84 3.55 0.71 0.00 -1.26 -5.03 105.19 106.72 1upm n GLY 166 Ca -0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1upm n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1upm s ARG 167 N -0.67 0.73 0.48 1.61 1.70 -1.26 -5.03 118.95 116.51 1upm s ARG 167 Ca 0.00 0.04 -0.22 0.00 -0.47 0.00 0.00 55.73 55.08 1upm s ARG 167 Cb 0.00 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.62 1upm s ARG 167 CO 0.00 -0.26 0.76 -2.30 -1.08 0.00 0.00 175.30 172.42 1upm n PRO 168 N 0.49 0.87 -2.48 3.89 -0.02 -1.07 -4.79 135.00 131.89 1upm n PRO 168 Ca -0.11 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 1upm n PRO 168 Cb 0.59 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 1upm n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upm s LEU 169 N 0.25 3.62 -0.14 2.45 1.43 -0.13 -4.94 118.68 121.21 1upm s LEU 169 Ca 0.66 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1upm s LEU 169 Cb -0.53 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1upm s LEU 169 CO 0.55 -0.58 -0.19 -0.76 0.23 0.00 0.00 176.35 175.60 1upm s LEU 170 N -4.28 2.28 0.00 1.79 1.43 -1.26 -0.29 118.68 118.34 1upm s LEU 170 Ca 0.54 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1upm s LEU 170 Cb -0.10 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1upm s LEU 170 CO 0.37 0.10 0.01 0.61 0.23 0.00 0.00 176.35 177.67 1upm n GLY 171 N 3.95 4.07 3.29 -3.19 0.00 0.22 -1.27 105.19 112.26 1upm n GLY 171 Ca -0.19 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 43.87 1upm n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upm s THR 173 N 2.36 4.20 0.25 0.00 2.01 -1.26 -4.35 115.64 118.85 1upm s THR 173 Ca -0.01 1.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 1upm s THR 173 Cb -0.05 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1upm s THR 173 CO -0.16 0.29 1.26 -0.63 -0.69 0.00 0.00 174.62 174.69 1upm s ILE 174 N -0.07 3.15 0.56 1.82 -1.09 -1.26 -4.41 121.20 119.91 1upm s ILE 174 Ca 0.48 1.04 0.06 0.00 -2.23 0.00 0.00 60.65 60.00 1upm s ILE 174 Cb -0.26 -3.67 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1upm s ILE 174 CO 0.32 0.20 0.45 -0.54 -1.23 0.00 0.00 174.94 174.14 1upm s LYS 175 N -0.87 2.24 0.00 2.79 -0.14 -1.26 -4.43 119.74 118.08 1upm s LYS 175 Ca 0.52 -2.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.09 1upm s LYS 175 Cb -0.36 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1upm s LYS 175 CO 0.43 -0.69 0.00 -2.30 -0.76 0.00 0.00 175.35 172.02 1upm n PRO 176 N -1.85 0.00 -0.19 -1.68 -0.01 -1.26 -4.94 135.00 125.07 1upm n PRO 176 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.45 1upm n PRO 176 Cb 0.64 -0.06 0.03 0.00 -0.01 0.00 0.00 33.50 34.10 1upm n PRO 176 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 1upm h LYS 177 N 2.38 -0.11 -5.88 -0.52 1.57 -2.00 -3.43 116.57 108.59 1upm h LYS 177 Ca 0.00 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1upm h LYS 177 Cb 0.00 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 32.16 1upm h LYS 177 CO 0.00 -0.07 -0.77 -0.51 -0.57 0.00 0.00 179.45 177.53 1upm s LEU 178 N -10.75 2.47 0.00 2.94 1.02 -1.26 -4.62 118.68 108.47 1upm s LEU 178 Ca -0.14 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.11 1upm s LEU 178 Cb 0.17 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.56 1upm s LEU 178 CO 0.71 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.63 1upm n GLY 179 N 0.12 1.20 3.86 -3.19 0.00 -1.26 -5.09 105.19 100.82 1upm n GLY 179 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1upm n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 180 N 0.00 3.41 0.56 0.99 1.43 -1.26 -5.02 118.68 118.79 1upm s LEU 180 Ca 0.00 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1upm s LEU 180 Cb 0.00 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.75 1upm s LEU 180 CO 0.00 -0.74 0.84 -0.94 0.23 0.00 0.00 176.35 175.73 1upm s SER 181 N -3.68 5.53 0.20 2.29 1.04 -1.26 -4.47 113.70 113.34 1upm s SER 181 Ca 0.57 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 1upm s SER 181 Cb -0.11 -1.49 0.25 0.00 0.10 0.00 0.00 66.02 64.78 1upm s SER 181 CO 0.44 -1.03 1.72 0.00 0.98 0.00 0.00 173.24 175.35 1upm h ALA 182 N -0.04 0.68 -0.01 5.32 0.00 -1.92 0.23 119.26 123.53 1upm h ALA 182 Ca -0.45 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1upm h ALA 182 Cb 1.27 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1upm h ALA 182 CO 0.59 -0.26 -0.55 -0.22 0.00 0.00 0.00 179.25 178.80 1upm h LYS 183 N 0.31 0.04 -0.01 0.00 3.64 -1.95 -2.79 116.57 115.80 1upm h LYS 183 Ca 0.29 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.45 1upm h LYS 183 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1upm h LYS 183 CO -0.34 0.58 -0.84 -0.91 -2.27 0.00 0.00 179.45 175.67 1upm h ASN 184 N 0.03 0.29 -0.24 4.20 -0.26 -1.72 -1.95 115.58 115.93 1upm h ASN 184 Ca -0.00 -0.22 0.05 0.00 -0.56 0.00 0.00 56.30 55.56 1upm h ASN 184 Cb 0.99 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.12 1upm h ASN 184 CO 0.07 1.00 -0.05 0.22 -1.06 0.00 0.00 177.43 177.61 1upm h TYR 185 N 0.13 -0.12 -0.36 1.19 3.20 -0.84 -1.29 116.97 118.89 1upm h TYR 185 Ca -0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1upm h TYR 185 Cb 1.45 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 1upm h TYR 185 CO 0.03 -0.10 0.14 0.78 -1.64 0.00 0.00 178.16 177.37 1upm h GLY 186 N 0.01 0.59 0.52 1.82 0.00 -1.45 -0.80 103.07 103.75 1upm h GLY 186 Ca 0.11 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.19 1upm h GLY 186 CO -0.24 0.31 0.18 -0.09 0.00 0.00 0.00 176.54 176.69 1upm h ARG 187 N 0.44 0.34 -0.45 4.80 2.43 -1.16 -0.08 114.38 120.70 1upm h ARG 187 Ca 0.12 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1upm h ARG 187 Cb 0.20 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1upm h ARG 187 CO -0.01 0.23 0.23 0.00 -1.51 0.00 0.00 179.97 178.91 1upm h ALA 188 N 1.34 0.58 -0.48 2.80 0.00 -0.88 -2.87 119.26 119.74 1upm h ALA 188 Ca 0.24 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1upm h ALA 188 Cb 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1upm h ALA 188 CO -0.25 0.12 0.23 0.28 0.00 0.00 0.00 179.25 179.63 1upm h VAL 189 N 0.59 0.94 -0.24 0.00 2.07 -0.71 -1.90 116.25 117.00 1upm h VAL 189 Ca 0.16 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1upm h VAL 189 Cb 0.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1upm h VAL 189 CO -0.02 0.08 0.13 0.22 0.02 0.00 0.00 177.57 178.00 1upm h TYR 190 N 0.45 0.24 -0.43 1.57 3.20 -0.98 -1.18 116.97 119.85 1upm h TYR 190 Ca 0.21 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 1upm h TYR 190 Cb 0.14 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1upm h TYR 190 CO -0.11 0.14 -0.23 0.93 -1.64 0.00 0.00 178.16 177.24 1upm h GLU 191 N 0.27 0.92 0.11 1.82 4.39 -1.28 -1.37 114.58 119.45 1upm h GLU 191 Ca 0.10 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1upm h GLU 191 Cb 0.01 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1upm h GLU 191 CO -0.06 1.07 -0.22 0.00 -1.16 0.00 0.00 179.01 178.64 1upm h LEU 193 N -0.41 0.35 -0.51 0.00 3.38 -1.01 -2.73 115.31 114.38 1upm h LEU 193 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1upm h LEU 193 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1upm h LEU 193 CO -0.13 0.55 0.00 0.08 0.09 0.00 0.00 178.44 179.03 1upm h ARG 194 N 0.33 0.00 -0.01 1.13 0.11 -1.25 -2.79 114.38 111.91 1upm h ARG 194 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1upm h ARG 194 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1upm h ARG 194 CO 0.03 0.00 -0.24 0.41 0.10 0.00 0.00 179.97 180.27 1upm n GLY 195 N 0.48 -0.76 0.00 0.08 0.00 -1.03 -4.92 105.19 99.05 1upm n GLY 195 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1upm n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 196 N 1.34 0.43 3.81 -0.02 0.00 -1.05 -2.14 105.19 107.57 1upm n GLY 196 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1upm n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 197 N 0.00 3.87 -0.00 0.99 1.43 -1.25 -4.83 118.68 118.89 1upm s LEU 197 Ca 0.00 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1upm s LEU 197 Cb 0.00 -4.55 -0.27 0.00 0.03 0.00 0.00 46.19 41.40 1upm s LEU 197 CO 0.00 -0.62 0.84 0.44 0.23 0.00 0.00 176.35 177.24 1upm h ASP 198 N 1.66 0.33 -4.59 2.29 3.32 -1.52 -3.43 116.42 114.48 1upm h ASP 198 Ca -0.49 -0.48 -0.34 0.00 0.02 0.00 0.00 57.03 55.73 1upm h ASP 198 Cb 1.20 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 1upm h ASP 198 CO 0.60 1.41 -0.75 -0.36 -1.72 0.00 0.00 179.24 178.41 1upm s PHE 199 N -2.62 0.96 0.00 4.55 0.08 -0.50 -1.84 117.98 118.62 1upm s PHE 199 Ca -0.09 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1upm s PHE 199 Cb 0.07 -0.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.97 1upm s PHE 199 CO 0.84 -0.01 0.00 0.25 -0.10 0.00 0.00 175.22 176.20 1upm n THR 200 N 1.28 0.00 -2.13 0.64 -2.24 -0.96 -2.85 114.28 108.03 1upm n THR 200 Ca -0.21 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1upm n THR 200 Cb 0.55 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1upm n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 202 N 1.00 6.79 0.71 3.42 1.01 -0.69 -1.37 116.67 127.54 1upm s ASP 202 Ca 0.00 2.68 -0.15 0.00 0.71 0.00 0.00 52.55 55.78 1upm s ASP 202 Cb 0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 1upm s ASP 202 CO 0.00 -0.52 1.18 -0.62 0.21 0.00 0.00 175.17 175.42 1upm s ASP 203 N -0.50 4.46 0.50 0.27 -1.08 -1.26 -4.89 116.67 114.16 1upm s ASP 203 Ca 0.49 2.26 0.15 0.00 -0.52 0.00 0.00 52.55 54.93 1upm s ASP 203 Cb -0.39 -2.58 1.19 0.00 -1.46 0.00 0.00 42.92 39.68 1upm s ASP 203 CO 0.53 -2.08 2.11 1.05 0.52 0.00 0.00 175.17 177.29 1upm h GLU 204 N -0.18 0.12 0.00 4.34 9.09 -1.98 -1.94 114.58 124.03 1upm h GLU 204 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1upm h GLU 204 Cb 1.28 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1upm h GLU 204 CO 0.51 0.08 -0.86 0.27 0.05 0.00 0.00 179.01 179.06 1upm n ASN 205 N -4.51 0.84 -4.57 3.06 6.94 -1.26 -4.79 115.26 110.97 1upm n ASN 205 Ca 0.00 -0.76 -0.40 0.00 -0.02 0.00 0.00 54.58 53.41 1upm n ASN 205 Cb 0.15 0.78 -0.03 0.00 -2.36 0.00 0.00 39.78 38.32 1upm n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1upm s VAL 206 N -3.01 3.19 0.00 3.53 1.01 -0.73 -4.84 120.40 119.56 1upm s VAL 206 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1upm s VAL 206 Cb 0.16 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1upm s VAL 206 CO 0.82 -0.31 0.00 0.59 0.00 0.00 0.00 175.10 176.20 1upm n ASN 207 N 13.03 0.00 -3.95 3.32 5.03 -1.26 -4.76 115.26 126.67 1upm n ASN 207 Ca 0.28 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.48 1upm n ASN 207 Cb 0.50 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.10 1upm n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upm s SER 208 N 0.96 1.83 0.15 6.41 0.15 -1.26 -4.23 113.70 117.72 1upm s SER 208 Ca 0.00 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 1upm s SER 208 Cb 0.00 -0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1upm s SER 208 CO 0.00 -0.05 0.13 -1.10 1.20 0.00 0.00 173.24 173.42 1upm s GLN 209 N 1.17 1.04 0.48 5.44 1.11 -0.51 -4.93 119.66 123.46 1upm s GLN 209 Ca -0.05 -1.40 0.22 0.00 0.01 0.00 0.00 55.36 54.13 1upm s GLN 209 Cb -0.14 0.28 1.25 0.00 -1.01 0.00 0.00 33.01 33.40 1upm s GLN 209 CO -0.02 -0.33 1.94 -1.35 0.01 0.00 0.00 175.29 175.54 1upm h PRO 210 N 2.74 0.18 0.00 2.91 0.11 -2.01 0.18 132.00 136.10 1upm h PRO 210 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1upm h PRO 210 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1upm h PRO 210 CO 0.55 0.12 0.00 1.97 -0.21 0.00 0.00 178.00 180.43 1upm n PHE 211 N -4.41 0.72 -3.15 0.65 1.16 -1.26 -4.77 117.46 106.40 1upm n PHE 211 Ca 0.13 0.22 0.05 0.00 -1.87 0.00 0.00 57.45 55.98 1upm n PHE 211 Cb 0.63 -0.85 -0.01 0.00 -1.61 0.00 0.00 39.48 37.63 1upm n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1upm s MET 212 N -3.09 0.27 0.43 3.97 0.00 0.62 -4.26 119.30 117.23 1upm s MET 212 Ca 0.11 0.44 -0.12 0.00 0.00 0.00 0.00 55.69 56.11 1upm s MET 212 Cb 0.13 0.24 -0.07 0.00 0.00 0.00 0.00 34.83 35.13 1upm s MET 212 CO 0.56 -0.33 0.83 1.03 0.00 0.00 0.00 175.02 177.11 1upm s ARG 213 N 2.93 3.84 0.17 4.11 1.81 -1.21 -1.43 118.95 129.17 1upm s ARG 213 Ca 0.07 0.61 -0.10 0.00 -1.72 0.00 0.00 55.73 54.59 1upm s ARG 213 Cb -0.10 -2.32 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 1upm s ARG 213 CO -0.15 -0.09 1.62 0.11 -0.68 0.00 0.00 175.30 176.11 1upm h TRP 214 N 1.21 1.12 -0.46 -0.53 5.08 -1.91 -2.81 115.95 117.65 1upm h TRP 214 Ca -0.47 -0.20 -0.14 0.00 1.08 0.00 0.00 58.89 59.16 1upm h TRP 214 Cb 1.19 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1upm h TRP 214 CO 0.62 1.00 -0.27 -0.09 -1.28 0.00 0.00 178.44 178.42 1upm h ARG 215 N 0.91 0.98 -0.47 0.12 2.43 -1.95 0.65 114.38 117.05 1upm h ARG 215 Ca 0.16 -0.45 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1upm h ARG 215 Cb 0.56 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1upm h ARG 215 CO 0.03 1.12 0.23 -0.44 -1.51 0.00 0.00 179.97 179.41 1upm h ASP 216 N 0.83 0.33 0.01 -3.80 3.32 -1.97 -2.55 116.42 112.60 1upm h ASP 216 Ca 0.10 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1upm h ASP 216 Cb 0.85 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1upm h ASP 216 CO 0.08 0.23 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.73 1upm h ARG 217 N 0.46 -0.02 -0.77 3.56 2.43 -1.10 -2.60 114.38 116.34 1upm h ARG 217 Ca 0.21 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.55 1upm h ARG 217 Cb 0.12 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.56 1upm h ARG 217 CO -0.15 0.06 0.20 0.74 -1.51 0.00 0.00 179.97 179.31 1upm h PHE 218 N -0.09 0.32 -0.21 2.20 -1.00 -0.89 -0.40 116.94 116.88 1upm h PHE 218 Ca -0.00 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.77 1upm h PHE 218 Cb 0.08 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1upm h PHE 218 CO -0.05 -0.10 -0.07 1.25 -1.61 0.00 0.00 178.31 177.73 1upm h LEU 219 N 0.28 0.42 -0.68 1.54 6.46 -1.37 -0.20 115.31 121.76 1upm h LEU 219 Ca 0.45 -0.39 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 1upm h LEU 219 Cb 0.79 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1upm h LEU 219 CO -0.53 0.71 -0.30 -0.26 -0.62 0.00 0.00 178.44 177.44 1upm h PHE 220 N 0.13 0.81 -0.59 1.25 0.04 -1.19 -2.42 116.94 114.97 1upm h PHE 220 Ca 0.05 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.54 1upm h PHE 220 Cb 0.54 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1upm h PHE 220 CO 0.06 0.91 0.06 0.00 -0.60 0.00 0.00 178.31 178.74 1upm h ALA 222 N 1.16 0.11 -0.57 0.00 0.00 -0.93 0.05 119.26 119.07 1upm h ALA 222 Ca 0.18 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1upm h ALA 222 Cb 0.44 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1upm h ALA 222 CO 0.02 -0.49 0.35 1.49 0.00 0.00 0.00 179.25 180.61 1upm h GLU 223 N -0.03 0.67 -0.29 0.00 4.81 -1.00 -2.36 114.58 116.38 1upm h GLU 223 Ca 0.10 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1upm h GLU 223 Cb 0.18 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1upm h GLU 223 CO -0.22 0.44 0.01 0.00 -0.73 0.00 0.00 179.01 178.52 1upm h ALA 224 N 1.25 0.39 -0.76 2.92 0.00 -1.10 -2.65 119.26 119.32 1upm h ALA 224 Ca 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1upm h ALA 224 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1upm h ALA 224 CO -0.10 0.12 0.27 1.37 0.00 0.00 0.00 179.25 180.91 1upm h LEU 225 N 0.30 1.07 -1.16 0.00 8.10 -0.78 -1.91 115.31 120.93 1upm h LEU 225 Ca 0.08 -0.18 -0.08 0.00 0.11 0.00 0.00 57.88 57.81 1upm h LEU 225 Cb 0.40 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.33 1upm h LEU 225 CO 0.01 0.97 -0.28 1.88 -4.11 0.00 0.00 178.44 176.91 1upm h TYR 226 N 1.12 0.25 -0.26 0.17 0.05 -1.46 0.16 116.97 117.00 1upm h TYR 226 Ca 0.25 -0.05 -0.17 0.00 0.05 0.00 0.00 58.73 58.81 1upm h TYR 226 Cb 0.26 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1upm h TYR 226 CO 0.02 0.50 -0.53 -0.22 -1.05 0.00 0.00 178.16 176.87 1upm h LYS 227 N 0.21 0.76 -0.37 4.88 3.64 -1.09 -2.12 116.57 122.47 1upm h LYS 227 Ca 0.03 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 1upm h LYS 227 Cb 0.61 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1upm h LYS 227 CO 0.04 1.10 -0.16 0.00 -2.27 0.00 0.00 179.45 178.16 1upm h ALA 228 N 0.81 0.52 -0.67 5.00 0.00 -0.86 -2.70 119.26 121.37 1upm h ALA 228 Ca 0.02 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1upm h ALA 228 Cb 1.12 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1upm h ALA 228 CO 0.11 0.45 0.35 0.37 0.00 0.00 0.00 179.25 180.53 1upm h GLN 229 N 0.57 0.62 -0.13 0.00 4.15 -0.92 -2.04 115.11 117.36 1upm h GLN 229 Ca 0.09 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 1upm h GLN 229 Cb 0.70 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1upm h GLN 229 CO 0.05 0.41 -0.50 0.00 -1.93 0.00 0.00 178.83 176.86 1upm h ALA 230 N 1.37 0.92 -0.35 3.38 0.00 -1.35 0.07 119.26 123.30 1upm h ALA 230 Ca 0.31 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1upm h ALA 230 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1upm h ALA 230 CO -0.21 0.66 -0.18 1.49 0.00 0.00 0.00 179.25 181.01 1upm h GLU 231 N 0.26 0.74 0.03 0.00 4.81 -1.27 -3.34 114.58 115.81 1upm h GLU 231 Ca 0.01 -0.32 -0.30 0.00 -0.13 0.00 0.00 59.36 58.61 1upm h GLU 231 Cb 0.97 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1upm h GLU 231 CO 0.08 0.93 -1.71 1.79 -0.73 0.00 0.00 179.01 179.37 1upm h THR 232 N 0.52 0.87 0.00 0.32 1.35 -1.30 -3.49 112.91 111.18 1upm h THR 232 Ca 0.08 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 1upm h THR 232 Cb 0.72 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1upm h THR 232 CO 0.05 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1upm n GLY 233 N 1.64 0.62 3.41 5.82 0.00 0.00 -5.07 105.19 111.61 1upm n GLY 233 Ca -0.19 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1upm n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 234 N -0.29 1.76 0.26 1.61 2.02 -1.25 -5.07 118.70 117.74 1upm s GLU 234 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 1upm s GLU 234 Cb 0.00 -2.03 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1upm s GLU 234 CO 0.00 0.50 1.32 0.42 0.02 0.00 0.00 175.26 177.51 1upm s ILE 235 N -0.96 2.96 0.20 -1.63 1.01 -1.26 -4.49 121.20 117.03 1upm s ILE 235 Ca 0.14 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.76 1upm s ILE 235 Cb -0.10 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1upm s ILE 235 CO 0.05 0.16 -0.21 -0.54 0.00 0.00 0.00 174.94 174.40 1upm s LYS 236 N -0.84 1.47 0.03 2.79 -0.14 -1.26 -4.90 119.74 116.89 1upm s LYS 236 Ca 0.53 -1.54 -0.00 0.00 -1.36 0.00 0.00 55.97 53.60 1upm s LYS 236 Cb -0.38 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.08 1upm s LYS 236 CO 0.44 0.34 -0.03 0.20 -0.76 0.00 0.00 175.35 175.55 1upm s GLY 237 N -2.84 0.34 -0.08 -3.33 0.00 -0.77 -4.79 107.32 95.85 1upm s GLY 237 Ca 0.21 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 1upm s GLY 237 CO 0.10 -0.96 -0.04 -1.58 0.00 0.00 0.00 173.10 170.62 1upm s HIS 238 N -2.58 1.01 -0.50 1.90 2.46 -1.26 -2.26 115.29 114.06 1upm s HIS 238 Ca -0.06 -0.39 -0.28 0.00 0.47 0.00 0.00 55.06 54.80 1upm s HIS 238 Cb -0.02 -0.94 0.02 0.00 -0.13 0.00 0.00 32.58 31.50 1upm s HIS 238 CO -0.05 -0.37 1.35 0.71 -2.47 0.00 0.00 174.74 173.91 1upm s TYR 239 N 1.62 2.43 -0.00 3.88 2.02 -0.47 -4.70 117.35 122.13 1upm s TYR 239 Ca 0.01 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 57.01 1upm s TYR 239 Cb -0.13 -4.39 -0.04 0.00 -0.40 0.00 0.00 41.96 37.00 1upm s TYR 239 CO -0.05 -1.83 0.85 -0.51 -1.57 0.00 0.00 175.55 172.44 1upm s LEU 240 N 5.51 4.38 -0.14 -1.29 1.43 -1.21 -1.70 118.68 125.65 1upm s LEU 240 Ca 0.54 1.49 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 1upm s LEU 240 Cb -0.11 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1upm s LEU 240 CO 0.29 -0.15 0.56 0.21 0.23 0.00 0.00 176.35 177.49 1upm s ASN 241 N 0.68 6.72 0.00 2.29 3.04 -1.26 -1.20 114.94 125.21 1upm s ASN 241 Ca 0.45 0.86 0.20 0.00 0.04 0.00 0.00 52.86 54.41 1upm s ASN 241 Cb -0.20 -2.33 -0.01 0.00 -1.54 0.00 0.00 41.25 37.18 1upm s ASN 241 CO 0.24 -0.12 0.98 0.00 -3.04 0.00 0.00 177.10 175.16 1upm n ALA 242 N 4.22 3.38 -1.61 1.71 0.00 -0.68 -4.93 120.51 122.60 1upm n ALA 242 Ca -0.04 -0.60 -0.46 0.00 0.00 0.00 0.00 53.44 52.34 1upm n ALA 242 Cb 0.51 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1upm n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1upm n THR 243 N -0.06 1.39 -3.85 0.00 -1.04 -1.26 -4.30 114.28 105.16 1upm n THR 243 Ca 0.08 -0.35 -0.05 0.00 -2.04 0.00 0.00 64.05 61.69 1upm n THR 243 Cb 0.41 -1.11 0.02 0.00 -1.82 0.00 0.00 70.33 67.83 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm n ALA 244 N 1.05 -2.34 0.05 2.41 0.00 -1.26 -4.81 120.51 115.62 1upm n ALA 244 Ca 0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 53.44 52.42 1upm n ALA 244 Cb 0.30 0.70 -0.09 0.00 0.00 0.00 0.00 19.45 20.36 1upm n ALA 244 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upm h GLY 245 N 1.93 0.00 -2.65 0.00 0.00 -1.95 -3.46 103.07 96.93 1upm h GLY 245 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.71 1upm h GLY 245 CO 0.38 0.00 -0.68 -0.51 0.00 0.00 0.00 176.54 175.73 1upm s THR 246 N -2.76 0.97 0.23 4.70 -4.23 -1.26 -5.06 115.64 108.23 1upm s THR 246 Ca -0.00 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1upm s THR 246 Cb 0.09 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.95 1upm s THR 246 CO 0.81 -0.52 1.75 0.00 -0.54 0.00 0.00 174.62 176.11 1upm h GLU 248 N 0.93 0.48 -0.20 0.00 3.07 -1.99 0.59 114.58 117.46 1upm h GLU 248 Ca 0.19 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1upm h GLU 248 Cb 0.39 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1upm h GLU 248 CO 0.01 0.32 0.02 -0.44 -1.40 0.00 0.00 179.01 177.51 1upm h ASP 249 N 0.49 0.33 -0.40 1.42 5.19 -1.92 -1.16 116.42 120.37 1upm h ASP 249 Ca 0.24 -0.28 0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1upm h ASP 249 Cb 0.18 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.54 1upm h ASP 249 CO -0.19 0.53 0.01 -0.03 -3.12 0.00 0.00 179.24 176.44 1upm h MET 250 N 0.12 0.11 -0.87 3.56 1.85 -1.12 -2.61 114.93 115.98 1upm h MET 250 Ca 0.06 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1upm h MET 250 Cb 0.35 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.31 1upm h MET 250 CO 0.01 0.07 0.54 0.52 -0.40 0.00 0.00 176.91 177.65 1upm h MET 251 N 0.12 1.17 -0.78 0.39 2.86 -0.61 -2.51 114.93 115.57 1upm h MET 251 Ca 0.20 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1upm h MET 251 Cb 0.27 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1upm h MET 251 CO -0.32 0.81 0.51 0.87 1.06 0.00 0.00 176.91 179.84 1upm h LYS 252 N 1.19 0.80 -0.05 1.72 1.57 -0.84 0.53 116.57 121.49 1upm h LYS 252 Ca 0.31 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.83 1upm h LYS 252 Cb -0.07 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1upm h LYS 252 CO -0.06 0.53 -0.84 0.00 -0.57 0.00 0.00 179.45 178.51 1upm h ARG 253 N 0.83 0.48 -0.53 3.15 3.08 -1.26 -2.55 114.38 117.58 1upm h ARG 253 Ca 0.34 -0.44 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1upm h ARG 253 Cb 0.27 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1upm h ARG 253 CO -0.12 1.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.87 1upm h ALA 254 N 0.77 0.71 -0.79 0.04 0.00 -1.08 -2.25 119.26 116.66 1upm h ALA 254 Ca -0.06 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1upm h ALA 254 Cb 1.45 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1upm h ALA 254 CO 0.15 0.53 0.44 0.28 0.00 0.00 0.00 179.25 180.65 1upm h VAL 255 N 0.80 0.91 0.03 0.00 2.07 -0.91 -1.55 116.25 117.60 1upm h VAL 255 Ca 0.15 -0.26 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 1upm h VAL 255 Cb 0.53 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1upm h VAL 255 CO 0.03 0.14 -0.96 0.15 0.02 0.00 0.00 177.57 176.94 1upm h PHE 256 N 0.76 0.33 -0.71 1.57 3.57 -1.16 -1.93 116.94 119.37 1upm h PHE 256 Ca 0.38 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1upm h PHE 256 Cb 0.34 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1upm h PHE 256 CO -0.07 1.05 0.44 0.00 -2.23 0.00 0.00 178.31 177.50 1upm h ALA 257 N 0.88 0.93 -0.00 2.41 0.00 -1.20 -1.43 119.26 120.85 1upm h ALA 257 Ca -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1upm h ALA 257 Cb 1.62 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1upm h ALA 257 CO 0.15 0.20 -0.22 -0.09 0.00 0.00 0.00 179.25 179.29 1upm h ARG 258 N 0.85 -0.34 -0.87 0.00 1.12 -1.03 -2.39 114.38 111.72 1upm h ARG 258 Ca 0.29 0.02 0.15 0.00 -1.11 0.00 0.00 59.98 59.33 1upm h ARG 258 Cb 0.04 0.08 -0.07 0.00 -0.01 0.00 0.00 29.97 30.01 1upm h ARG 258 CO -0.12 -0.22 0.56 1.49 -3.11 0.00 0.00 179.97 178.57 1upm h GLU 259 N -0.35 0.60 0.00 0.20 4.81 -0.98 0.19 114.58 119.06 1upm h GLU 259 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1upm h GLU 259 Cb 0.43 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1upm h GLU 259 CO -0.21 0.40 0.00 1.28 -0.73 0.00 0.00 179.01 179.75 1upm n LEU 260 N -4.55 0.75 -0.35 1.64 4.77 -0.57 -4.92 117.00 113.77 1upm n LEU 260 Ca 0.17 0.61 -0.04 0.00 -0.03 0.00 0.00 56.01 56.72 1upm n LEU 260 Cb 0.50 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1upm n LEU 260 CO 0.30 -0.33 -0.04 0.61 -1.33 0.00 0.00 177.39 176.60 1upm n GLY 261 N 0.79 0.48 3.93 -0.72 0.00 0.68 -5.03 105.19 105.32 1upm n GLY 261 Ca 0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 1upm n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upm s VAL 262 N -2.16 3.50 -0.18 1.61 -7.23 -1.22 -5.03 120.40 109.69 1upm s VAL 262 Ca 0.00 -0.21 0.19 0.00 -1.81 0.00 0.00 61.98 60.15 1upm s VAL 262 Cb 0.00 -3.37 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 1upm s VAL 262 CO 0.00 -0.34 0.96 1.55 -0.31 0.00 0.00 175.10 176.96 1upm h PRO 263 N -0.06 0.00 -2.92 4.82 0.13 -1.92 -3.46 132.00 128.60 1upm h PRO 263 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1upm h PRO 263 Cb 1.27 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.14 1upm h PRO 263 CO 0.59 0.16 -0.34 -1.50 -0.23 0.00 0.00 178.00 176.68 1upm s ILE 264 N -3.13 -0.01 0.47 -3.56 2.07 -1.26 -1.10 121.20 114.68 1upm s ILE 264 Ca -0.01 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 1upm s ILE 264 Cb 0.09 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1upm s ILE 264 CO 0.80 0.01 0.03 0.68 -1.91 0.00 0.00 174.94 174.55 1upm s VAL 265 N 0.38 1.58 0.11 4.00 -7.23 -0.39 -3.36 120.40 115.48 1upm s VAL 265 Ca -0.02 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1upm s VAL 265 Cb -0.04 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1upm s VAL 265 CO -0.02 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.73 1upm s MET 266 N -3.83 0.87 -0.13 4.82 0.23 -0.34 -0.81 119.30 120.11 1upm s MET 266 Ca 0.20 -1.37 -0.12 0.00 -1.03 0.00 0.00 55.69 53.38 1upm s MET 266 Cb 0.05 -0.17 0.04 0.00 -1.53 0.00 0.00 34.83 33.22 1upm s MET 266 CO 0.11 -0.05 0.34 -1.58 -2.03 0.00 0.00 175.02 171.81 1upm s HIS 267 N -3.67 -0.39 -0.74 3.16 5.04 -0.63 -1.69 115.29 116.38 1upm s HIS 267 Ca 0.14 0.94 -0.20 0.00 -1.54 0.00 0.00 55.06 54.40 1upm s HIS 267 Cb 0.06 0.13 0.11 0.00 0.04 0.00 0.00 32.58 32.92 1upm s HIS 267 CO -0.03 -0.19 0.94 -0.51 -2.34 0.00 0.00 174.74 172.60 1upm s ASP 268 N 0.28 6.37 0.26 9.88 1.01 -1.26 -1.14 116.67 132.07 1upm s ASP 268 Ca -0.01 -1.57 0.10 0.00 0.71 0.00 0.00 52.55 51.78 1upm s ASP 268 Cb -0.03 -2.37 0.32 0.00 1.01 0.00 0.00 42.92 41.85 1upm s ASP 268 CO -0.00 -1.17 1.59 0.10 0.21 0.00 0.00 175.17 175.89 1upm h TYR 269 N 9.11 0.00 0.18 4.23 -0.00 -1.87 0.15 116.97 128.76 1upm h TYR 269 Ca -0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.29 1upm h TYR 269 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.80 1upm h TYR 269 CO 1.00 0.64 -1.56 -0.07 -0.00 0.00 0.00 178.16 178.18 1upm h LEU 270 N 0.00 0.58 -0.00 0.10 3.38 -1.80 0.40 115.31 117.96 1upm h LEU 270 Ca -0.01 -0.75 -0.27 0.00 0.09 0.00 0.00 57.88 56.95 1upm h LEU 270 Cb 1.14 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.73 1upm h LEU 270 CO 0.08 1.61 -1.04 0.71 0.09 0.00 0.00 178.44 179.89 1upm h THR 271 N 0.10 1.28 -0.47 0.22 1.35 -1.68 -3.17 112.91 110.53 1upm h THR 271 Ca -0.27 -2.24 -0.08 0.00 -0.55 0.00 0.00 66.41 63.28 1upm h THR 271 Cb 2.08 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 70.85 1upm h THR 271 CO 0.20 0.69 0.00 1.23 -0.25 0.00 0.00 175.52 177.40 1upm h GLY 272 N 0.41 0.90 0.00 5.82 0.00 -0.88 -3.50 103.07 105.82 1upm h GLY 272 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1upm h GLY 272 CO 0.21 0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1upm n GLY 273 N -0.38 2.36 0.18 4.60 0.00 0.13 -4.64 105.19 107.44 1upm n GLY 273 Ca 0.00 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.94 1upm n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1upm h PHE 274 N 0.00 0.77 0.04 1.61 0.04 -1.88 0.30 116.94 117.81 1upm h PHE 274 Ca 0.00 -0.31 0.03 0.00 2.80 0.00 0.00 57.97 60.48 1upm h PHE 274 Cb 0.00 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1upm h PHE 274 CO 0.00 1.09 -0.38 1.15 -0.60 0.00 0.00 178.31 179.57 1upm h THR 275 N 0.24 0.21 -0.91 -1.55 2.02 -1.94 -1.20 112.91 109.78 1upm h THR 275 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1upm h THR 275 Cb 1.10 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 1upm h THR 275 CO 0.10 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.59 1upm h ALA 276 N 0.03 1.48 -0.21 6.16 0.00 -1.82 -2.90 119.26 122.01 1upm h ALA 276 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1upm h ALA 276 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1upm h ALA 276 CO -0.28 0.39 -0.32 -0.97 0.00 0.00 0.00 179.25 178.08 1upm h ASN 277 N 1.07 0.44 -0.18 0.00 -0.73 -0.38 -2.39 115.58 113.42 1upm h ASN 277 Ca 0.39 -0.16 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 1upm h ASN 277 Cb 0.15 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1upm h ASN 277 CO -0.14 0.74 -0.14 0.74 -0.37 0.00 0.00 177.43 178.25 1upm h THR 278 N 0.37 1.33 -0.74 -3.57 2.02 -1.15 0.16 112.91 111.33 1upm h THR 278 Ca 0.05 -1.28 0.17 0.00 0.77 0.00 0.00 66.41 66.12 1upm h THR 278 Cb 0.74 1.78 -0.12 0.00 -1.74 0.00 0.00 68.15 68.81 1upm h THR 278 CO 0.06 0.38 0.08 0.74 0.37 0.00 0.00 175.52 177.14 1upm h THR 279 N 0.07 0.41 0.04 3.16 2.02 -1.42 -1.03 112.91 116.16 1upm h THR 279 Ca 0.03 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.93 1upm h THR 279 Cb 0.67 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1upm h THR 279 CO 0.04 0.03 -1.01 0.25 0.37 0.00 0.00 175.52 175.20 1upm h LEU 280 N 0.16 0.36 -0.38 2.58 5.85 -1.16 -2.63 115.31 120.09 1upm h LEU 280 Ca 0.41 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1upm h LEU 280 Cb 0.72 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1upm h LEU 280 CO -0.60 1.16 0.10 -1.28 -0.34 0.00 0.00 178.44 177.49 1upm h SER 281 N 0.12 0.08 -0.70 1.25 0.87 -0.33 -0.42 113.55 114.43 1upm h SER 281 Ca -0.08 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1upm h SER 281 Cb 1.68 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.66 1upm h SER 281 CO 0.16 0.08 0.36 0.45 -0.53 0.00 0.00 176.83 177.35 1upm h HIS 282 N 0.24 0.99 -0.34 2.24 3.86 -1.17 -1.79 115.15 119.20 1upm h HIS 282 Ca 0.18 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.22 1upm h HIS 282 Cb 0.18 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1upm h HIS 282 CO -0.17 0.71 -0.34 -0.92 0.86 0.00 0.00 177.93 178.07 1upm h TYR 283 N 1.01 0.89 -0.24 2.45 3.20 -1.28 -1.75 116.97 121.24 1upm h TYR 283 Ca 0.25 -0.24 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1upm h TYR 283 Cb 0.07 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1upm h TYR 283 CO 0.01 1.00 -0.41 0.00 -1.64 0.00 0.00 178.16 177.11 1upm h ARG 285 N 0.47 -0.16 0.00 0.00 9.65 -1.16 -1.68 114.38 121.50 1upm h ARG 285 Ca 0.04 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1upm h ARG 285 Cb 0.92 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1upm h ARG 285 CO 0.08 0.01 0.02 -0.44 2.80 0.00 0.00 179.97 182.43 1upm h ASP 286 N -0.30 0.00 0.00 -3.80 3.32 -1.18 -3.15 116.42 111.31 1upm h ASP 286 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1upm h ASP 286 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1upm h ASP 286 CO 0.03 0.00 -0.00 0.59 -1.72 0.00 0.00 179.24 178.14 1upm n ASN 287 N -2.51 1.15 -0.43 6.45 3.02 -0.73 -5.02 115.26 117.20 1upm n ASN 287 Ca -0.02 -1.59 -0.05 0.00 -0.03 0.00 0.00 54.58 52.89 1upm n ASN 287 Cb 0.06 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1upm n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upm n GLY 288 N -0.29 0.75 3.74 7.41 0.00 -0.69 -5.02 105.19 111.09 1upm n GLY 288 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1upm n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 289 N -1.25 4.24 0.44 0.99 1.43 -0.86 -4.96 118.68 118.70 1upm s LEU 289 Ca 0.00 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 1upm s LEU 289 Cb 0.00 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 1upm s LEU 289 CO 0.00 0.17 1.30 -0.76 0.23 0.00 0.00 176.35 177.29 1upm s LEU 290 N 0.29 4.12 -0.32 1.79 1.43 -0.26 -4.62 118.68 121.12 1upm s LEU 290 Ca 0.12 2.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 1upm s LEU 290 Cb -0.12 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 42.18 1upm s LEU 290 CO 0.01 -1.00 0.02 -0.22 0.23 0.00 0.00 176.35 175.39 1upm s LEU 291 N -2.71 4.09 -0.07 1.79 2.96 -1.26 -1.27 118.68 122.20 1upm s LEU 291 Ca 0.60 -1.90 -0.27 0.00 -0.22 0.00 0.00 54.13 52.34 1upm s LEU 291 Cb -0.37 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1upm s LEU 291 CO 0.47 -0.34 0.88 -2.28 -1.32 0.00 0.00 176.35 173.76 1upm s HIS 292 N 1.06 3.56 -0.19 5.38 5.65 0.01 -0.66 115.29 130.10 1upm s HIS 292 Ca 0.06 1.47 -0.06 0.00 0.25 0.00 0.00 55.06 56.78 1upm s HIS 292 Cb -0.19 -3.03 -0.03 0.00 -1.18 0.00 0.00 32.58 28.15 1upm s HIS 292 CO -0.09 -0.08 0.03 0.42 -0.65 0.00 0.00 174.74 174.36 1upm s ILE 293 N 1.41 4.32 -0.08 0.89 -1.09 -0.60 -1.60 121.20 124.44 1upm s ILE 293 Ca 0.45 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 1upm s ILE 293 Cb -0.19 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1upm s ILE 293 CO 0.20 0.44 0.10 -2.28 -1.23 0.00 0.00 174.94 172.17 1upm s HIS 294 N 0.69 3.43 -0.40 3.97 5.65 -0.29 -2.98 115.29 125.36 1upm s HIS 294 Ca 0.01 0.37 0.06 0.00 0.25 0.00 0.00 55.06 55.75 1upm s HIS 294 Cb -0.14 -1.85 0.65 0.00 -1.18 0.00 0.00 32.58 30.06 1upm s HIS 294 CO 0.02 0.63 1.82 2.89 -0.65 0.00 0.00 174.74 179.45 1upm n ARG 295 N 1.75 2.34 -1.51 2.88 1.85 -1.26 -3.06 116.66 119.65 1upm n ARG 295 Ca -0.17 -3.05 -0.54 0.00 -1.00 0.00 0.00 57.85 53.09 1upm n ARG 295 Cb 0.54 -2.11 -0.06 0.00 -1.05 0.00 0.00 32.46 29.78 1upm n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upm n ALA 296 N -1.03 -2.58 0.00 2.89 0.00 -1.26 -1.10 120.51 117.43 1upm n ALA 296 Ca 0.53 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.49 1upm n ALA 296 Cb 1.52 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1upm n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1upm n MET 297 N 1.57 0.00 -0.31 0.00 0.00 -1.26 -4.11 117.12 113.01 1upm n MET 297 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.85 1upm n MET 297 Cb 0.16 -0.71 0.10 0.00 0.00 0.00 0.00 33.22 32.78 1upm n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upm h HIS 298 N 0.00 1.20 0.00 1.12 -0.00 -1.54 -2.56 115.15 113.37 1upm h HIS 298 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1upm h HIS 298 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.03 1upm h HIS 298 CO 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 177.93 178.77 1upm h ALA 299 N 1.29 1.00 -0.89 6.11 0.00 -1.93 0.14 119.26 124.98 1upm h ALA 299 Ca 0.30 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1upm h ALA 299 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1upm h ALA 299 CO -0.05 0.00 0.58 0.28 0.00 0.00 0.00 179.25 180.06 1upm h VAL 300 N 0.00 0.96 0.07 0.00 2.07 -1.87 -3.07 116.25 114.41 1upm h VAL 300 Ca 0.00 -0.30 -0.37 0.00 0.82 0.00 0.00 66.70 66.85 1upm h VAL 300 Cb 0.37 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1upm h VAL 300 CO 0.00 0.16 -2.17 -0.38 0.02 0.00 0.00 177.57 175.20 1upm n ILE 301 N -4.53 1.66 0.15 4.57 5.41 0.34 -4.74 119.36 122.22 1upm n ILE 301 Ca 0.15 -0.60 0.04 0.00 1.00 0.00 0.00 62.75 63.35 1upm n ILE 301 Cb 0.31 -1.63 0.07 0.00 -0.71 0.00 0.00 39.64 37.69 1upm n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1upm n ASP 302 N -3.44 2.15 -0.04 4.38 5.68 -0.23 -2.47 116.55 122.59 1upm n ASP 302 Ca -0.38 -1.63 -0.14 0.00 -0.50 0.00 0.00 54.79 52.14 1upm n ASP 302 Cb 1.01 -0.08 -0.09 0.00 -1.14 0.00 0.00 41.12 40.83 1upm n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1upm h ARG 303 N 1.67 0.23 -6.19 0.11 9.65 -1.78 -3.42 114.38 114.65 1upm h ARG 303 Ca 0.00 -0.15 -0.58 0.00 -1.10 0.00 0.00 59.98 58.16 1upm h ARG 303 Cb 0.50 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 1upm h ARG 303 CO 0.00 0.72 -0.13 -0.65 2.80 0.00 0.00 179.97 182.71 1upm s GLN 304 N -4.02 3.97 0.24 0.20 -1.52 -1.26 -4.34 119.66 112.92 1upm s GLN 304 Ca -0.15 0.46 0.10 0.00 -1.95 0.00 0.00 55.36 53.82 1upm s GLN 304 Cb 0.03 -3.07 0.21 0.00 -0.22 0.00 0.00 33.01 29.96 1upm s GLN 304 CO 0.73 0.58 1.52 -0.22 -0.25 0.00 0.00 175.29 177.65 1upm h LYS 305 N 4.05 0.00 0.00 2.91 3.64 -1.90 -3.23 116.57 122.04 1upm h LYS 305 Ca -0.50 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1upm h LYS 305 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1upm h LYS 305 CO 0.64 0.71 -0.26 -2.95 -2.27 0.00 0.00 179.45 175.32 1upm h ASN 306 N 0.00 0.00 -3.51 4.20 -1.07 -1.94 -3.46 115.58 109.80 1upm h ASN 306 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 1upm h ASN 306 Cb 1.27 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.29 1upm h ASN 306 CO 0.09 0.09 -0.14 -2.28 0.07 0.00 0.00 177.43 175.27 1upm s HIS 307 N -3.19 -0.69 0.00 4.14 5.04 -1.22 -3.39 115.29 115.98 1upm s HIS 307 Ca 0.05 1.53 0.00 0.00 -1.54 0.00 0.00 55.06 55.10 1upm s HIS 307 Cb 0.06 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.99 1upm s HIS 307 CO 0.70 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 173.16 1upm n GLY 308 N 3.59 0.06 3.00 1.59 0.00 0.29 -4.49 105.19 109.22 1upm n GLY 308 Ca -0.18 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1upm n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upm s MET 309 N -0.13 0.16 0.53 1.61 -1.94 -1.03 -1.05 119.30 117.44 1upm s MET 309 Ca 0.00 0.44 -0.20 0.00 -1.71 0.00 0.00 55.69 54.22 1upm s MET 309 Cb 0.00 -0.13 -0.06 0.00 2.01 0.00 0.00 34.83 36.65 1upm s MET 309 CO 0.00 -0.15 1.14 -1.58 -0.01 0.00 0.00 175.02 174.42 1upm s HIS 310 N 1.13 2.70 0.47 -0.03 2.46 -0.10 -3.68 115.29 118.24 1upm s HIS 310 Ca -0.08 1.54 0.16 0.00 0.47 0.00 0.00 55.06 57.15 1upm s HIS 310 Cb -0.10 -3.32 1.14 0.00 -0.13 0.00 0.00 32.58 30.17 1upm s HIS 310 CO -0.07 -1.59 2.02 0.35 -2.47 0.00 0.00 174.74 172.98 1upm h PHE 311 N 1.36 0.27 -0.95 3.88 3.57 -1.92 -2.12 116.94 121.03 1upm h PHE 311 Ca -0.50 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.09 1upm h PHE 311 Cb 1.26 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 1upm h PHE 311 CO 0.51 0.13 0.59 0.07 -2.23 0.00 0.00 178.31 177.39 1upm h ARG 312 N 0.26 0.99 -0.65 1.11 0.11 -1.92 0.32 114.38 114.60 1upm h ARG 312 Ca 0.21 -0.06 0.01 0.00 0.10 0.00 0.00 59.98 60.24 1upm h ARG 312 Cb 0.51 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.33 1upm h ARG 312 CO -0.04 0.65 0.43 0.28 0.10 0.00 0.00 179.97 181.39 1upm h VAL 313 N 1.02 1.16 -0.09 0.08 2.07 -1.62 -1.44 116.25 117.43 1upm h VAL 313 Ca 0.44 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1upm h VAL 313 Cb 0.30 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1upm h VAL 313 CO -0.21 0.16 -0.34 -0.07 0.02 0.00 0.00 177.57 177.13 1upm h LEU 314 N 0.88 0.19 -0.15 2.57 3.38 -1.19 -1.74 115.31 119.25 1upm h LEU 314 Ca 0.24 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 314 Cb -0.10 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1upm h LEU 314 CO -0.05 0.52 -0.57 0.00 0.09 0.00 0.00 178.44 178.43 1upm h ALA 315 N 1.49 0.27 -0.78 1.53 0.00 -0.25 -2.63 119.26 118.90 1upm h ALA 315 Ca 0.02 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1upm h ALA 315 Cb 0.69 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1upm h ALA 315 CO 0.05 0.50 0.47 0.87 0.00 0.00 0.00 179.25 181.14 1upm h LYS 316 N 0.32 1.05 -0.35 0.00 1.57 -1.06 -1.82 116.57 116.27 1upm h LYS 316 Ca -0.03 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1upm h LYS 316 Cb 1.20 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1upm h LYS 316 CO 0.12 0.73 -0.31 0.00 -0.57 0.00 0.00 179.45 179.42 1upm h ALA 317 N 1.46 0.79 -0.33 3.86 0.00 -1.31 -2.17 119.26 121.56 1upm h ALA 317 Ca 0.28 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1upm h ALA 317 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1upm h ALA 317 CO -0.05 0.65 0.14 1.25 0.00 0.00 0.00 179.25 181.24 1upm h LEU 318 N 0.64 0.44 -0.75 0.00 7.12 -1.15 -1.23 115.31 120.37 1upm h LEU 318 Ca 0.07 -0.15 0.13 0.00 0.13 0.00 0.00 57.88 58.06 1upm h LEU 318 Cb 0.84 -0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.77 1upm h LEU 318 CO 0.07 0.46 0.33 -0.09 -0.13 0.00 0.00 178.44 179.08 1upm h ARG 319 N 0.38 0.49 0.61 1.25 2.43 -1.10 0.51 114.38 118.96 1upm h ARG 319 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1upm h ARG 319 Cb 0.15 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1upm h ARG 319 CO -0.01 0.33 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.41 1upm h LEU 320 N 0.51 -0.70 -0.27 3.80 3.38 -1.13 -3.30 115.31 117.60 1upm h LEU 320 Ca 0.40 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.46 1upm h LEU 320 Cb 0.56 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1upm h LEU 320 CO -0.36 -0.41 -0.31 -1.28 0.09 0.00 0.00 178.44 176.17 1upm h SER 321 N -1.00 -1.01 0.00 -0.43 0.87 -1.11 -2.04 113.55 108.83 1upm h SER 321 Ca -0.08 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1upm h SER 321 Cb 0.63 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1upm h SER 321 CO 0.14 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.72 1upm n GLY 322 N -1.41 4.15 3.57 5.77 0.00 0.18 -4.42 105.19 113.03 1upm n GLY 322 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1upm n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upm s GLY 323 N 0.00 -0.27 -0.00 -0.02 0.00 -1.25 -4.76 107.32 101.01 1upm s GLY 323 Ca 0.00 1.92 0.15 0.00 0.00 0.00 0.00 44.72 46.79 1upm s GLY 323 CO 0.00 0.91 0.70 1.22 0.00 0.00 0.00 173.10 175.93 1upm n ASP 324 N 0.53 0.79 -4.36 1.64 8.00 0.17 -4.46 116.55 118.85 1upm n ASP 324 Ca -0.09 0.36 -0.26 0.00 0.71 0.00 0.00 54.79 55.52 1upm n ASP 324 Cb 0.59 0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.72 1upm n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upm s HIS 325 N -2.77 2.08 -0.09 1.24 3.76 -1.07 -1.90 115.29 116.54 1upm s HIS 325 Ca -0.04 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.38 1upm s HIS 325 Cb 0.08 -1.08 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1upm s HIS 325 CO 0.82 0.35 0.25 -1.50 -0.85 0.00 0.00 174.74 173.81 1upm s ILE 326 N -1.45 0.01 0.25 0.60 2.07 -0.80 -1.56 121.20 120.33 1upm s ILE 326 Ca 0.14 -0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1upm s ILE 326 Cb -0.09 -0.38 -0.10 0.00 0.13 0.00 0.00 42.46 42.02 1upm s ILE 326 CO 0.07 -0.04 1.38 -1.00 -1.91 0.00 0.00 174.94 173.43 1upm s HIS 327 N -0.05 3.09 0.00 3.50 3.76 -1.16 -0.22 115.29 124.21 1upm s HIS 327 Ca -0.02 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1upm s HIS 327 Cb -0.02 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1upm s HIS 327 CO 0.01 -2.29 0.15 -1.13 -0.85 0.00 0.00 174.74 170.63 1upm n SER 328 N 2.07 0.30 0.00 1.40 3.41 -0.34 -4.76 113.62 115.69 1upm n SER 328 Ca 0.05 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1upm n SER 328 Cb 0.41 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1upm n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upm n GLY 329 N 0.60 1.50 0.00 5.00 0.00 -1.25 -4.90 105.19 106.14 1upm n GLY 329 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 44.08 1upm n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upm n THR 330 N 1.98 0.00 0.00 2.61 -2.24 -1.26 -4.38 114.28 110.99 1upm n THR 330 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1upm n THR 330 Cb 0.00 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1upm n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1upm n VAL 331 N -1.62 0.00 1.24 2.28 0.31 -1.26 -4.49 118.33 114.79 1upm n VAL 331 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.45 1upm n VAL 331 Cb 0.17 0.00 0.34 0.00 -0.91 0.00 0.00 33.84 33.44 1upm n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1upm n VAL 332 N 0.00 0.00 -0.61 2.52 0.24 -1.26 -4.61 118.33 114.61 1upm n VAL 332 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1upm n VAL 332 Cb 0.00 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1upm n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upm n GLY 333 N 1.33 1.74 0.08 7.63 0.00 -1.26 -4.22 105.19 110.49 1upm n GLY 333 Ca 0.13 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1upm n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upm h LYS 334 N 0.00 0.00 -6.32 1.61 2.10 -1.38 -3.44 116.57 109.14 1upm h LYS 334 Ca 0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 1upm h LYS 334 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 1upm h LYS 334 CO 0.00 0.00 -0.65 -0.51 -2.00 0.00 0.00 179.45 176.29 1upm s LEU 335 N -4.49 3.33 0.37 7.07 1.43 -1.26 -5.06 118.68 120.07 1upm s LEU 335 Ca 0.05 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 1upm s LEU 335 Cb 0.12 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1upm s LEU 335 CO 0.73 0.08 1.23 -0.70 0.23 0.00 0.00 176.35 177.92 1upm s GLU 336 N -3.01 4.15 -0.30 1.70 2.12 -1.26 -4.68 118.70 117.42 1upm s GLU 336 Ca 0.28 2.02 -0.19 0.00 0.36 0.00 0.00 54.97 57.44 1upm s GLU 336 Cb -0.09 -2.84 0.18 0.00 0.26 0.00 0.00 34.13 31.64 1upm s GLU 336 CO 0.19 -0.29 1.27 0.20 -0.54 0.00 0.00 175.26 176.09 1upm s GLY 337 N -0.84 0.12 0.25 -1.50 0.00 -1.26 -4.88 107.32 99.21 1upm s GLY 337 Ca 0.54 3.42 -0.30 0.00 0.00 0.00 0.00 44.72 48.39 1upm s GLY 337 CO 0.45 3.72 1.06 -0.54 0.00 0.00 0.00 173.10 177.79 1upm s GLU 338 N 2.55 4.69 0.15 2.90 0.41 -1.26 -4.04 118.70 124.10 1upm s GLU 338 Ca -0.05 1.71 -0.22 0.00 -0.41 0.00 0.00 54.97 56.00 1upm s GLU 338 Cb -0.05 -3.23 0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1upm s GLU 338 CO -0.11 0.27 1.63 -0.09 -0.49 0.00 0.00 175.26 176.47 1upm h ARG 339 N 4.11 -0.21 -0.33 1.61 2.43 -1.98 -1.74 114.38 118.26 1upm h ARG 339 Ca -0.46 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.55 1upm h ARG 339 Cb 1.21 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1upm h ARG 339 CO 0.68 -0.14 -0.47 -0.44 -1.51 0.00 0.00 179.97 178.09 1upm h ASP 340 N -0.22 0.97 -0.52 -3.80 3.32 -1.93 -0.78 116.42 113.46 1upm h ASP 340 Ca 0.15 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1upm h ASP 340 Cb 0.45 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1upm h ASP 340 CO -0.41 1.28 0.15 0.40 -1.72 0.00 0.00 179.24 178.95 1upm h ILE 341 N 0.71 1.23 -0.24 0.35 2.04 -1.73 -2.36 117.51 117.49 1upm h ILE 341 Ca 0.04 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.94 1upm h ILE 341 Cb 1.07 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1upm h ILE 341 CO 0.11 0.31 -0.42 0.74 0.00 0.00 0.00 178.15 178.88 1upm h THR 342 N 0.84 1.31 -0.68 -0.27 2.02 -1.08 -2.60 112.91 112.46 1upm h THR 342 Ca 0.19 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1upm h THR 342 Cb 0.28 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1upm h THR 342 CO -0.00 0.52 0.36 -0.07 0.37 0.00 0.00 175.52 176.69 1upm h LEU 343 N 0.44 0.84 0.16 2.58 3.38 -1.10 0.22 115.31 121.83 1upm h LEU 343 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1upm h LEU 343 Cb 1.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1upm h LEU 343 CO 0.10 0.68 -0.14 1.23 0.09 0.00 0.00 178.44 180.41 1upm h GLY 344 N 1.00 -0.30 1.76 0.83 0.00 -1.24 -2.38 103.07 102.74 1upm h GLY 344 Ca 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1upm h GLY 344 CO -0.04 -0.14 -0.30 0.27 0.00 0.00 0.00 176.54 176.33 1upm h PHE 345 N -0.31 0.00 -0.58 5.60 -5.15 -1.28 -2.03 116.94 113.19 1upm h PHE 345 Ca -0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 1upm h PHE 345 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.43 1upm h PHE 345 CO -0.12 0.06 0.09 -0.39 -2.00 0.00 0.00 178.31 175.96 1upm h VAL 346 N 0.00 1.25 -0.75 0.88 -1.51 -0.88 -1.81 116.25 113.42 1upm h VAL 346 Ca -0.00 -0.95 -0.06 0.00 -1.23 0.00 0.00 66.70 64.46 1upm h VAL 346 Cb 1.05 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 1upm h VAL 346 CO 0.01 0.35 0.23 0.44 -1.23 0.00 0.00 177.57 177.37 1upm h ASP 347 N 0.88 1.10 0.08 4.19 3.32 -1.22 -1.60 116.42 123.17 1upm h ASP 347 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1upm h ASP 347 Cb 0.39 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1upm h ASP 347 CO 0.01 1.02 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.44 1upm h LEU 348 N 1.12 0.00 0.12 1.55 3.38 -1.06 -1.97 115.31 118.46 1upm h LEU 348 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.88 1upm h LEU 348 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1upm h LEU 348 CO -0.01 0.03 -1.77 -0.07 0.09 0.00 0.00 178.44 176.72 1upm h LEU 349 N 0.00 0.40 0.00 1.67 3.38 -0.78 -3.42 115.31 116.56 1upm h LEU 349 Ca -0.00 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 57.20 1upm h LEU 349 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1upm h LEU 349 CO 0.00 1.60 -1.61 0.54 0.09 0.00 0.00 178.44 179.07 1upm n ARG 350 N -3.44 0.64 -3.81 1.13 1.74 -0.65 -1.30 116.66 110.97 1upm n ARG 350 Ca -0.24 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.63 1upm n ARG 350 Cb 1.05 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.78 1upm n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1upm s ASP 351 N -5.12 5.13 0.26 0.55 1.01 -0.75 -4.52 116.67 113.22 1upm s ASP 351 Ca -0.05 -0.60 0.24 0.00 0.71 0.00 0.00 52.55 52.84 1upm s ASP 351 Cb 0.11 -0.84 0.34 0.00 1.01 0.00 0.00 42.92 43.54 1upm s ASP 351 CO 0.84 -0.41 1.42 -0.78 0.21 0.00 0.00 175.17 176.45 1upm h ASP 352 N 1.25 0.00 -3.38 0.27 3.58 -1.91 -3.45 116.42 112.78 1upm h ASP 352 Ca -0.44 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 56.90 1upm h ASP 352 Cb 1.26 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.07 1upm h ASP 352 CO 0.59 0.03 -0.12 -0.47 -2.88 0.00 0.00 179.24 176.39 1upm s TYR 353 N -3.22 -0.76 -0.05 0.28 5.04 -1.26 -0.90 117.35 116.48 1upm s TYR 353 Ca 0.06 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.30 1upm s TYR 353 Cb 0.10 0.37 0.04 0.00 0.35 0.00 0.00 41.96 42.81 1upm s TYR 353 CO 0.70 -0.39 0.09 0.99 -1.34 0.00 0.00 175.55 175.60 1upm s THR 354 N 1.12 -0.14 0.33 4.34 2.01 -0.30 -5.01 115.64 117.98 1upm s THR 354 Ca -0.07 0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.05 1upm s THR 354 Cb -0.06 -0.19 -0.10 0.00 0.01 0.00 0.00 72.50 72.17 1upm s THR 354 CO -0.11 0.16 0.94 -0.70 -0.69 0.00 0.00 174.62 174.22 1upm s GLU 355 N 2.04 4.55 0.04 4.92 2.12 -1.26 -0.81 118.70 130.30 1upm s GLU 355 Ca 0.02 1.30 -0.30 0.00 0.36 0.00 0.00 54.97 56.35 1upm s GLU 355 Cb -0.12 -2.75 -0.16 0.00 0.26 0.00 0.00 34.13 31.36 1upm s GLU 355 CO -0.04 0.26 0.76 1.17 -0.54 0.00 0.00 175.26 176.87 1upm n LYS 356 N 0.47 0.00 -3.07 4.30 4.81 -1.25 -4.80 118.16 118.62 1upm n LYS 356 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1upm n LYS 356 Cb 0.50 -1.13 -0.00 0.00 0.02 0.00 0.00 35.03 34.42 1upm n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1upm s ASP 357 N -0.21 -1.43 0.62 3.14 2.15 -0.10 -4.97 116.67 115.87 1upm s ASP 357 Ca 0.69 -0.97 0.36 0.00 0.43 0.00 0.00 52.55 53.06 1upm s ASP 357 Cb -0.97 1.84 2.04 0.00 -0.30 0.00 0.00 42.92 45.52 1upm s ASP 357 CO 0.47 -0.13 2.29 0.03 -0.17 0.00 0.00 175.17 177.65 1upm h ARG 358 N 6.37 0.00 0.00 4.34 2.47 -1.91 -0.33 114.38 125.32 1upm h ARG 358 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1upm h ARG 358 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1upm h ARG 358 CO 0.06 0.01 0.00 0.66 0.56 0.00 0.00 179.97 181.26 1upm h SER 359 N 0.00 0.00 -0.28 7.04 4.64 -1.96 -2.13 113.55 120.85 1upm h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1upm h SER 359 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1upm h SER 359 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1upm n ARG 360 N -2.62 2.86 -0.91 4.77 1.74 -0.21 -4.77 116.66 117.52 1upm n ARG 360 Ca 0.02 -2.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 1upm n ARG 360 Cb 0.30 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1upm n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upm n GLY 361 N 0.18 0.52 3.47 -0.13 0.00 -0.80 -4.39 105.19 104.04 1upm n GLY 361 Ca 0.12 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1upm n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upm s ILE 362 N -2.00 4.68 -0.33 -0.61 1.01 -0.73 -4.90 121.20 118.31 1upm s ILE 362 Ca 0.00 -0.20 0.21 0.00 0.00 0.00 0.00 60.65 60.66 1upm s ILE 362 Cb 0.00 -4.40 0.21 0.00 0.01 0.00 0.00 42.46 38.28 1upm s ILE 362 CO 0.00 -0.94 1.45 1.88 0.00 0.00 0.00 174.94 177.33 1upm h TYR 363 N 9.13 0.00 -3.91 3.97 -1.99 -1.94 -0.23 116.97 122.01 1upm h TYR 363 Ca -0.27 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.23 1upm h TYR 363 Cb 1.09 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.58 1upm h TYR 363 CO 0.82 0.13 -0.72 -0.06 -0.00 0.00 0.00 178.16 178.33 1upm s PHE 364 N -3.17 0.31 0.17 4.88 0.08 -1.26 -4.91 117.98 114.09 1upm s PHE 364 Ca 0.05 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1upm s PHE 364 Cb 0.06 -0.20 -0.08 0.00 -0.57 0.00 0.00 43.02 42.23 1upm s PHE 364 CO 0.71 -0.10 1.25 0.99 -0.10 0.00 0.00 175.22 177.98 1upm s THR 365 N -0.91 3.45 -0.08 0.64 2.01 -1.26 -3.92 115.64 115.58 1upm s THR 365 Ca -0.09 1.18 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1upm s THR 365 Cb -0.07 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1upm s THR 365 CO -0.00 0.17 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.41 1upm s GLN 366 N 0.01 1.63 0.07 4.92 2.00 0.01 -4.89 119.66 123.42 1upm s GLN 366 Ca 0.56 -0.37 0.06 0.00 -2.00 0.00 0.00 55.36 53.61 1upm s GLN 366 Cb -0.34 -1.43 -0.04 0.00 0.80 0.00 0.00 33.01 32.00 1upm s GLN 366 CO 0.36 -0.05 -0.08 -1.12 -0.50 0.00 0.00 175.29 173.90 1upm s SER 367 N 0.92 4.50 0.00 6.67 0.01 -1.26 -1.15 113.70 123.38 1upm s SER 367 Ca -0.10 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.92 1upm s SER 367 Cb -0.15 -0.94 0.05 0.00 0.21 0.00 0.00 66.02 65.20 1upm s SER 367 CO 0.01 0.21 0.72 0.79 0.41 0.00 0.00 173.24 175.38 1upm n TRP 368 N 0.98 0.02 -4.11 2.43 7.02 -0.07 -4.72 117.44 118.98 1upm n TRP 368 Ca -0.14 -0.04 -0.30 0.00 -1.02 0.00 0.00 57.50 56.00 1upm n TRP 368 Cb 0.52 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.34 1upm n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1upm n VAL 369 N 0.29 -1.10 -0.99 -0.99 0.24 -1.26 -0.43 118.33 114.09 1upm n VAL 369 Ca 0.04 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1upm n VAL 369 Cb 0.16 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1upm n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upm n SER 370 N -2.43 -4.20 -4.55 -1.34 7.64 -1.26 -5.00 113.62 102.46 1upm n SER 370 Ca -0.27 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.07 1upm n SER 370 Cb 0.61 -1.88 -0.06 0.00 -1.01 0.00 0.00 64.21 61.86 1upm n SER 370 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1upm n THR 371 N -2.50 0.10 -1.32 0.44 -1.04 0.43 -4.89 114.28 105.49 1upm n THR 371 Ca 0.00 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.63 1upm n THR 371 Cb 0.22 -0.52 0.08 0.00 -1.82 0.00 0.00 70.33 68.29 1upm n THR 371 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upm n PRO 372 N 2.08 0.43 -3.18 -2.82 -0.02 -1.26 -4.92 135.00 125.30 1upm n PRO 372 Ca 0.19 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 1upm n PRO 372 Cb 0.16 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1upm n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1upm s GLY 373 N -1.54 1.95 -0.17 -1.23 0.00 -1.26 -4.68 107.32 100.39 1upm s GLY 373 Ca 0.70 -0.39 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 1upm s GLY 373 CO 0.54 -0.24 0.11 0.14 0.00 0.00 0.00 173.10 173.64 1upm s VAL 374 N -2.15 5.23 -0.15 1.40 1.01 -0.42 -1.98 120.40 123.35 1upm s VAL 374 Ca 0.47 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1upm s VAL 374 Cb -0.11 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1upm s VAL 374 CO 0.29 0.50 1.24 -0.22 0.00 0.00 0.00 175.10 176.92 1upm s LEU 375 N -0.10 4.20 0.21 3.92 2.96 -0.80 -4.20 118.68 124.87 1upm s LEU 375 Ca 0.09 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.41 1upm s LEU 375 Cb -0.12 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1upm s LEU 375 CO 0.00 -0.72 1.14 -2.16 -1.32 0.00 0.00 176.35 173.29 1upm s PRO 376 N 3.23 4.56 -0.17 0.98 0.04 -1.26 -1.90 135.00 140.48 1upm s PRO 376 Ca 0.55 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1upm s PRO 376 Cb -0.22 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1upm s PRO 376 CO 0.16 0.05 -0.12 0.08 0.04 0.00 0.00 177.00 177.21 1upm s VAL 377 N -0.45 2.91 -0.26 -0.36 1.01 0.69 -0.83 120.40 123.11 1upm s VAL 377 Ca 0.49 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1upm s VAL 377 Cb -0.31 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1upm s VAL 377 CO 0.38 0.50 0.13 0.00 0.00 0.00 0.00 175.10 176.11 1upm s ALA 378 N 0.90 3.38 -0.09 5.51 0.00 0.12 -1.20 121.76 130.39 1upm s ALA 378 Ca -0.03 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 1upm s ALA 378 Cb -0.15 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1upm s ALA 378 CO -0.01 -0.46 0.47 0.45 0.00 0.00 0.00 175.76 176.21 1upm s SER 379 N 1.59 -0.44 0.00 0.00 0.15 -1.26 -0.87 113.70 112.87 1upm s SER 379 Ca 0.07 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1upm s SER 379 Cb -0.15 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1upm s SER 379 CO 0.07 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1upm n GLY 380 N 1.82 1.69 1.46 9.45 0.00 -1.26 -4.57 105.19 113.79 1upm n GLY 380 Ca -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1upm n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 381 N 0.00 0.78 3.62 -0.02 0.00 -1.26 -1.29 105.19 107.02 1upm n GLY 381 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1upm n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upm s ILE 382 N -2.00 3.30 0.34 -0.61 -4.36 -1.26 -4.32 121.20 112.29 1upm s ILE 382 Ca 0.00 -1.97 -0.08 0.00 -0.26 0.00 0.00 60.65 58.34 1upm s ILE 382 Cb 0.00 -2.78 0.03 0.00 1.25 0.00 0.00 42.46 40.96 1upm s ILE 382 CO 0.00 -0.37 0.59 0.00 0.24 0.00 0.00 174.94 175.40 1upm n HIS 383 N -0.87 -1.86 -0.36 1.37 1.44 -1.26 -4.37 115.22 109.32 1upm n HIS 383 Ca -0.06 -1.87 0.11 0.00 -2.01 0.00 0.00 57.72 53.89 1upm n HIS 383 Cb 0.59 0.69 0.29 0.00 0.12 0.00 0.00 29.99 31.69 1upm n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1upm h VAL 384 N 1.90 0.78 0.00 0.61 -1.51 -1.92 0.10 116.25 116.22 1upm h VAL 384 Ca -0.28 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1upm h VAL 384 Cb 1.10 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1upm h VAL 384 CO 0.36 0.15 -0.07 -0.50 -1.23 0.00 0.00 177.57 176.29 1upm h TRP 385 N 0.85 0.00 0.00 5.19 4.06 -1.95 -1.46 115.95 122.64 1upm h TRP 385 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 1upm h TRP 385 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 1upm h TRP 385 CO -0.00 0.07 0.00 0.72 -3.56 0.00 0.00 178.44 175.66 1upm n HIS 386 N -3.30 0.00 0.14 0.49 8.25 0.35 -4.45 115.22 116.70 1upm n HIS 386 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1upm n HIS 386 Cb 0.25 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 1upm n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1upm h MET 387 N 0.00 -0.61 -0.68 -0.41 -1.53 -1.32 -1.79 114.93 108.59 1upm h MET 387 Ca 0.00 0.04 0.14 0.00 -3.44 0.00 0.00 59.70 56.44 1upm h MET 387 Cb 0.41 0.14 -0.13 0.00 -0.55 0.00 0.00 31.60 31.47 1upm h MET 387 CO 0.00 -0.40 -0.18 -1.35 0.14 0.00 0.00 176.91 175.12 1upm h PRO 388 N -0.63 -0.00 -0.54 0.39 0.11 -1.81 0.58 132.00 130.09 1upm h PRO 388 Ca 0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1upm h PRO 388 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1upm h PRO 388 CO -0.17 -0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.55 1upm h ALA 389 N 1.67 0.74 -0.03 -0.75 0.00 -1.76 -1.11 119.26 118.01 1upm h ALA 389 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 389 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1upm h ALA 389 CO -0.70 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.11 1upm h LEU 390 N 0.87 0.03 -0.67 0.00 3.38 -0.50 0.12 115.31 118.54 1upm h LEU 390 Ca 0.14 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1upm h LEU 390 Cb 0.63 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1upm h LEU 390 CO 0.04 0.03 0.42 0.74 0.09 0.00 0.00 178.44 179.76 1upm h THR 391 N 0.03 1.09 -0.79 0.22 2.02 -0.76 -1.78 112.91 112.94 1upm h THR 391 Ca 0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1upm h THR 391 Cb -0.00 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 1upm h THR 391 CO -0.00 0.15 0.45 -0.08 0.37 0.00 0.00 175.52 176.41 1upm h GLU 392 N 0.83 1.09 -0.06 6.66 4.22 -1.10 -0.59 114.58 125.63 1upm h GLU 392 Ca 0.27 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 1upm h GLU 392 Cb 0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1upm h GLU 392 CO -0.10 0.79 -0.08 0.82 -2.18 0.00 0.00 179.01 178.26 1upm h ILE 393 N 1.09 1.39 0.00 2.32 2.04 -0.32 -3.38 117.51 120.65 1upm h ILE 393 Ca 0.28 -1.28 -0.31 0.00 1.00 0.00 0.00 64.86 64.55 1upm h ILE 393 Cb 0.00 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1upm h ILE 393 CO -0.05 0.35 -2.12 0.49 0.00 0.00 0.00 178.15 176.82 1upm n PHE 394 N -4.70 0.32 -4.47 1.37 3.72 -0.71 -5.03 117.46 107.96 1upm n PHE 394 Ca -0.08 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1upm n PHE 394 Cb 0.32 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 1upm n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upm n GLY 395 N 1.64 -1.33 0.32 1.37 0.00 -0.23 -4.33 105.19 102.63 1upm n GLY 395 Ca -0.25 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 1upm n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1upm h ASP 396 N 0.00 0.97 -0.97 1.61 3.32 -1.90 -3.34 116.42 116.12 1upm h ASP 396 Ca 0.00 -0.10 -0.71 0.00 0.02 0.00 0.00 57.03 56.24 1upm h ASP 396 Cb 0.00 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.20 1upm h ASP 396 CO 0.00 0.79 2.27 0.47 -1.72 0.00 0.00 179.24 181.05 1upm n ASP 397 N -4.43 4.72 -3.65 6.45 8.00 -1.26 -2.59 116.55 123.79 1upm n ASP 397 Ca 0.07 -2.94 -0.10 0.00 0.71 0.00 0.00 54.79 52.53 1upm n ASP 397 Cb 0.09 -1.64 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 1upm n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1upm s SER 398 N 3.10 -0.36 -0.15 -2.24 1.04 -1.25 -4.24 113.70 109.59 1upm s SER 398 Ca 0.47 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 1upm s SER 398 Cb 0.06 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1upm s SER 398 CO 0.00 -1.07 -0.09 -0.69 0.98 0.00 0.00 173.24 172.37 1upm s VAL 399 N -3.84 3.29 -0.23 5.02 1.01 -0.01 -0.96 120.40 124.68 1upm s VAL 399 Ca 0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1upm s VAL 399 Cb -0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1upm s VAL 399 CO -0.05 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 1upm s LEU 400 N 0.59 3.36 -0.17 3.92 1.43 0.60 0.14 118.68 128.56 1upm s LEU 400 Ca -0.06 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1upm s LEU 400 Cb -0.15 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1upm s LEU 400 CO 0.03 0.01 -0.13 -1.10 0.23 0.00 0.00 176.35 175.39 1upm s GLN 401 N 1.31 3.26 -0.47 1.70 -0.21 -0.05 -0.61 119.66 124.59 1upm s GLN 401 Ca 0.04 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 54.74 1upm s GLN 401 Cb -0.15 -2.70 0.12 0.00 1.00 0.00 0.00 33.01 31.29 1upm s GLN 401 CO 0.02 -0.01 0.20 -0.06 -2.12 0.00 0.00 175.29 173.32 1upm s PHE 402 N 0.90 3.30 0.00 0.91 0.08 -0.20 -4.26 117.98 118.71 1upm s PHE 402 Ca -0.03 -3.11 0.00 0.00 0.12 0.00 0.00 56.93 53.91 1upm s PHE 402 Cb -0.15 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 1upm s PHE 402 CO -0.01 -0.80 0.04 0.41 -0.10 0.00 0.00 175.22 174.76 1upm n GLY 403 N 3.43 1.20 0.29 4.36 0.00 -1.26 -2.77 105.19 110.44 1upm n GLY 403 Ca 0.05 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.33 1upm n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 404 N 2.29 -0.76 0.00 -0.02 0.00 -1.26 -0.81 105.19 104.63 1upm n GLY 404 Ca 0.00 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.90 1upm n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 405 N -1.27 -1.03 0.62 -0.02 0.00 -1.26 -0.55 105.19 101.68 1upm n GLY 405 Ca 0.33 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1upm n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1upm n THR 406 N -1.24 0.62 1.69 2.61 -1.04 0.01 -4.67 114.28 112.26 1upm n THR 406 Ca 0.13 -0.16 0.15 0.00 -2.04 0.00 0.00 64.05 62.13 1upm n THR 406 Cb 0.17 -1.62 0.81 0.00 -1.82 0.00 0.00 70.33 67.88 1upm n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 407 N -3.47 0.15 -0.87 -4.42 4.32 -0.25 -2.39 117.00 110.07 1upm n LEU 407 Ca -0.22 0.07 0.12 0.00 -0.02 0.00 0.00 56.01 55.96 1upm n LEU 407 Cb 0.66 -0.12 0.24 0.00 -1.62 0.00 0.00 43.42 42.58 1upm n LEU 407 CO 0.02 0.03 0.71 0.61 -1.22 0.00 0.00 177.39 177.54 1upm n GLY 408 N 1.15 0.91 3.76 -0.72 0.00 0.29 -4.94 105.19 105.63 1upm n GLY 408 Ca 0.19 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1upm n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1upm s HIS 409 N -1.85 3.46 0.53 1.61 5.04 -1.01 -4.93 115.29 118.14 1upm s HIS 409 Ca 0.33 1.67 0.22 0.00 -1.54 0.00 0.00 55.06 55.74 1upm s HIS 409 Cb 0.21 -3.27 1.36 0.00 0.04 0.00 0.00 32.58 30.91 1upm s HIS 409 CO 0.31 -0.66 2.06 -1.00 -2.34 0.00 0.00 174.74 173.10 1upm h PRO 410 N 3.44 0.00 -0.39 2.88 0.13 -1.91 -2.21 132.00 133.93 1upm h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1upm h PRO 410 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1upm h PRO 410 CO 0.66 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.34 1upm n TRP 411 N -4.42 0.51 0.00 1.56 8.01 -1.26 -5.09 117.44 116.75 1upm n TRP 411 Ca 0.04 -0.28 0.00 0.00 -1.31 0.00 0.00 57.50 55.95 1upm n TRP 411 Cb 0.39 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.69 1upm n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1upm n GLY 412 N 1.36 0.70 0.27 6.99 0.00 -0.83 -4.67 105.19 109.00 1upm n GLY 412 Ca 0.18 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1upm n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1upm h ASN 413 N 0.00 0.92 0.07 1.61 4.21 -1.87 -1.38 115.58 119.14 1upm h ASN 413 Ca 0.00 -0.35 -0.00 0.00 1.21 0.00 0.00 56.30 57.15 1upm h ASN 413 Cb 0.00 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 36.95 1upm h ASN 413 CO 0.00 1.06 -0.03 0.00 -1.29 0.00 0.00 177.43 177.17 1upm h ALA 414 N 0.89 -0.10 -0.13 -0.83 0.00 -1.85 -1.07 119.26 116.16 1upm h ALA 414 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1upm h ALA 414 Cb 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1upm h ALA 414 CO 0.04 -0.49 -0.14 -1.35 0.00 0.00 0.00 179.25 177.32 1upm h PRO 415 N -0.24 0.21 -0.65 0.00 0.11 -1.82 0.02 132.00 129.63 1upm h PRO 415 Ca -0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1upm h PRO 415 Cb 0.20 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1upm h PRO 415 CO 0.02 0.36 0.23 0.78 -0.21 0.00 0.00 178.00 179.18 1upm h GLY 416 N 0.72 1.07 0.76 -0.55 0.00 -0.90 -1.72 103.07 102.45 1upm h GLY 416 Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1upm h GLY 416 CO 0.02 0.57 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 1upm h ALA 417 N 1.10 0.23 -0.57 3.60 0.00 -0.10 -2.59 119.26 120.93 1upm h ALA 417 Ca 0.21 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 417 Cb 0.25 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1upm h ALA 417 CO -0.01 0.10 0.10 0.28 0.00 0.00 0.00 179.25 179.72 1upm h VAL 418 N 0.01 0.65 -0.33 0.00 2.07 -0.50 -0.05 116.25 118.10 1upm h VAL 418 Ca 0.03 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1upm h VAL 418 Cb 0.65 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1upm h VAL 418 CO 0.03 0.04 0.14 0.00 0.02 0.00 0.00 177.57 177.81 1upm h ALA 419 N 1.46 0.40 -0.45 1.67 0.00 -1.16 0.78 119.26 121.96 1upm h ALA 419 Ca 0.29 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1upm h ALA 419 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1upm h ALA 419 CO -0.39 -0.24 -0.06 -0.91 0.00 0.00 0.00 179.25 177.64 1upm h ASN 420 N 0.30 0.76 -0.12 0.00 -0.26 -0.96 -0.92 115.58 114.39 1upm h ASN 420 Ca 0.14 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 1upm h ASN 420 Cb 0.08 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1upm h ASN 420 CO -0.12 0.86 -0.15 -0.09 -1.06 0.00 0.00 177.43 176.87 1upm h ARG 421 N 0.71 0.31 -0.69 0.81 9.65 -0.50 -1.87 114.38 122.79 1upm h ARG 421 Ca 0.13 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1upm h ARG 421 Cb 0.53 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1upm h ARG 421 CO 0.03 0.74 0.44 0.28 2.80 0.00 0.00 179.97 184.26 1upm h VAL 422 N -0.10 1.13 -0.45 0.20 2.07 -0.87 -0.98 116.25 117.25 1upm h VAL 422 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1upm h VAL 422 Cb 0.70 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1upm h VAL 422 CO 0.04 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.07 1upm h ALA 423 N 1.28 0.57 -0.04 1.67 0.00 -1.10 -0.58 119.26 121.06 1upm h ALA 423 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1upm h ALA 423 Cb -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1upm h ALA 423 CO -0.09 0.03 0.00 1.25 0.00 0.00 0.00 179.25 180.45 1upm h LEU 424 N 0.60 0.06 -1.21 0.00 5.85 -1.05 -1.79 115.31 117.77 1upm h LEU 424 Ca 0.16 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1upm h LEU 424 Cb -0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1upm h LEU 424 CO -0.03 0.34 0.38 -0.33 -0.34 0.00 0.00 178.44 178.46 1upm h GLU 425 N -0.21 0.92 -0.71 1.25 5.08 -1.12 0.05 114.58 119.85 1upm h GLU 425 Ca 0.01 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1upm h GLU 425 Cb 0.30 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1upm h GLU 425 CO 0.00 0.67 0.46 0.00 -1.00 0.00 0.00 179.01 179.14 1upm h ALA 426 N 1.49 0.91 -0.61 3.43 0.00 -0.97 0.57 119.26 124.07 1upm h ALA 426 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 426 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1upm h ALA 426 CO -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 1upm h VAL 428 N 0.99 1.20 -0.06 0.00 2.07 -0.70 -0.73 116.25 119.02 1upm h VAL 428 Ca 0.17 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1upm h VAL 428 Cb 0.57 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1upm h VAL 428 CO 0.03 0.19 -0.08 -0.61 0.02 0.00 0.00 177.57 177.12 1upm h GLN 429 N 0.02 -0.10 -0.31 1.57 4.15 -0.91 -0.76 115.11 118.76 1upm h GLN 429 Ca 0.04 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1upm h GLN 429 Cb 0.26 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1upm h GLN 429 CO 0.00 -0.07 0.11 0.00 -1.93 0.00 0.00 178.83 176.94 1upm h ALA 430 N 0.94 0.36 -0.39 3.38 0.00 -1.36 -0.30 119.26 121.87 1upm h ALA 430 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1upm h ALA 430 Cb 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1upm h ALA 430 CO -0.12 -0.29 0.02 -0.09 0.00 0.00 0.00 179.25 178.76 1upm h ARG 431 N 0.24 0.13 -0.10 0.00 2.43 -0.82 -1.11 114.38 115.14 1upm h ARG 431 Ca 0.14 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1upm h ARG 431 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1upm h ARG 431 CO -0.14 0.08 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.26 1upm h ASN 432 N 0.13 0.17 0.03 -3.80 -0.26 -0.55 -1.04 115.58 110.26 1upm h ASN 432 Ca 0.19 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1upm h ASN 432 Cb 0.26 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1upm h ASN 432 CO -0.30 0.40 -0.00 -0.62 -1.06 0.00 0.00 177.43 175.85 1upm n GLU 433 N -4.21 0.99 0.00 0.81 1.02 -0.18 -4.92 120.64 114.16 1upm n GLU 433 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1upm n GLU 433 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1upm n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upm n GLY 434 N 1.03 0.48 3.77 0.62 0.00 -0.39 -5.06 105.19 105.63 1upm n GLY 434 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1upm n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upm s ARG 435 N -0.79 2.67 -0.37 1.61 0.52 -0.46 -4.99 118.95 117.15 1upm s ARG 435 Ca 0.00 1.31 -0.16 0.00 -0.52 0.00 0.00 55.73 56.36 1upm s ARG 435 Cb 0.00 -1.94 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 1upm s ARG 435 CO 0.00 -1.34 0.39 0.34 0.02 0.00 0.00 175.30 174.71 1upm s ASP 436 N -2.86 6.19 0.21 0.23 -1.08 -1.26 -4.38 116.67 113.73 1upm s ASP 436 Ca 0.65 -0.35 -0.04 0.00 -0.52 0.00 0.00 52.55 52.29 1upm s ASP 436 Cb -0.19 -2.21 0.19 0.00 -1.46 0.00 0.00 42.92 39.25 1upm s ASP 436 CO 0.46 -0.42 1.62 -0.07 0.52 0.00 0.00 175.17 177.28 1upm h LEU 437 N 8.86 0.76 -0.72 -1.34 3.38 -1.94 0.27 115.31 124.58 1upm h LEU 437 Ca -0.29 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1upm h LEU 437 Cb 1.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1upm h LEU 437 CO 0.73 0.98 0.46 0.00 0.09 0.00 0.00 178.44 180.70 1upm h ALA 438 N 1.07 0.94 0.02 1.53 0.00 -1.94 -2.29 119.26 118.59 1upm h ALA 438 Ca 0.09 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 1upm h ALA 438 Cb 0.76 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1upm h ALA 438 CO 0.06 0.27 -1.93 0.54 0.00 0.00 0.00 179.25 178.19 1upm n ARG 439 N -4.63 0.66 -0.19 0.00 1.74 -1.01 -4.42 116.66 108.83 1upm n ARG 439 Ca 0.08 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.46 1upm n ARG 439 Cb 0.06 -1.71 0.18 0.00 -1.02 0.00 0.00 32.46 29.97 1upm n ARG 439 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1upm n GLU 440 N -3.06 2.37 -0.13 5.56 1.02 0.93 -4.74 120.64 122.59 1upm n GLU 440 Ca -0.24 -2.08 -0.12 0.00 -0.02 0.00 0.00 57.16 54.70 1upm n GLU 440 Cb 1.07 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1upm n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1upm h GLY 441 N 3.11 -0.75 1.58 0.62 0.00 -1.56 0.12 103.07 106.19 1upm h GLY 441 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1upm h GLY 441 CO 0.00 -0.16 0.09 3.43 0.00 0.00 0.00 176.54 179.91 1upm h ASN 442 N -0.36 0.50 -0.09 0.19 -0.26 -1.86 -0.85 115.58 112.84 1upm h ASN 442 Ca 0.11 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.67 1upm h ASN 442 Cb 0.59 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1upm h ASN 442 CO -0.58 0.50 -0.32 0.74 -1.06 0.00 0.00 177.43 176.70 1upm h THR 443 N 0.54 1.28 -0.02 2.81 2.02 -1.62 -0.48 112.91 117.44 1upm h THR 443 Ca 0.13 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1upm h THR 443 Cb 0.20 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1upm h THR 443 CO -0.00 0.46 0.00 0.40 0.37 0.00 0.00 175.52 176.75 1upm h ILE 444 N 0.49 1.21 -0.53 3.11 2.04 0.52 -0.71 117.51 123.65 1upm h ILE 444 Ca 0.06 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1upm h ILE 444 Cb 0.80 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1upm h ILE 444 CO 0.07 0.17 0.34 0.40 0.00 0.00 0.00 178.15 179.13 1upm h ILE 445 N -0.22 1.15 -0.54 -0.67 1.08 -1.21 -2.72 117.51 114.38 1upm h ILE 445 Ca 0.01 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1upm h ILE 445 Cb 0.27 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1upm h ILE 445 CO 0.00 0.14 0.33 -0.09 -0.69 0.00 0.00 178.15 177.84 1upm h ARG 446 N 0.72 0.63 -0.64 2.37 9.65 -1.02 -1.97 114.38 124.12 1upm h ARG 446 Ca 0.19 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.10 1upm h ARG 446 Cb -0.06 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.32 1upm h ARG 446 CO -0.04 0.42 0.34 0.93 2.80 0.00 0.00 179.97 184.41 1upm h GLU 447 N 0.65 0.60 0.00 0.20 5.08 -0.95 -2.41 114.58 117.75 1upm h GLU 447 Ca 0.21 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1upm h GLU 447 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1upm h GLU 447 CO -0.09 0.39 -0.25 0.00 -1.00 0.00 0.00 179.01 178.07 1upm h ALA 448 N 1.36 1.37 0.00 3.43 0.00 -1.07 -2.57 119.26 121.78 1upm h ALA 448 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 448 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1upm h ALA 448 CO -0.21 0.31 0.00 1.79 0.00 0.00 0.00 179.25 181.15 1upm h THR 449 N 0.00 0.00 0.00 0.00 1.35 -0.87 -1.45 112.91 111.94 1upm h THR 449 Ca -0.00 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.57 1upm h THR 449 Cb 0.51 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1upm h THR 449 CO 0.03 0.00 -0.23 0.11 -0.25 0.00 0.00 175.52 175.18 1upm h LYS 450 N 0.00 0.00 -0.00 4.72 1.79 -1.49 -3.31 116.57 118.28 1upm h LYS 450 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1upm h LYS 450 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1upm h LYS 450 CO 0.00 0.23 -0.03 -2.67 -1.08 0.00 0.00 179.45 175.90 1upm n TRP 451 N -3.36 0.00 -3.77 -1.35 4.27 -0.83 -4.89 117.44 107.51 1upm n TRP 451 Ca 0.00 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.26 1upm n TRP 451 Cb 0.45 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.29 1upm n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1upm s SER 452 N -1.00 5.14 0.30 -0.67 0.15 -0.61 -4.96 113.70 112.05 1upm s SER 452 Ca 0.00 -2.53 0.05 0.00 0.70 0.00 0.00 55.95 54.18 1upm s SER 452 Cb 0.00 -1.82 0.74 0.00 -1.71 0.00 0.00 66.02 63.24 1upm s SER 452 CO 0.02 -0.42 1.75 -0.65 1.20 0.00 0.00 173.24 175.14 1upm h PRO 453 N 7.39 0.63 -0.81 5.44 0.11 -1.88 -1.14 132.00 141.74 1upm h PRO 453 Ca -0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1upm h PRO 453 Cb 0.99 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 1upm h PRO 453 CO 0.70 0.42 0.49 0.93 -0.21 0.00 0.00 178.00 180.33 1upm h GLU 454 N 0.65 1.10 -0.17 1.05 3.07 -1.93 -1.50 114.58 116.85 1upm h GLU 454 Ca 0.58 -0.10 -0.18 0.00 -0.50 0.00 0.00 59.36 59.16 1upm h GLU 454 Cb 0.96 -0.23 0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1upm h GLU 454 CO -0.42 0.77 -0.60 1.25 -1.40 0.00 0.00 179.01 178.61 1upm h LEU 455 N 1.11 0.82 -0.73 1.33 5.85 -1.57 -2.70 115.31 119.42 1upm h LEU 455 Ca 0.29 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.53 1upm h LEU 455 Cb -0.05 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.65 1upm h LEU 455 CO -0.06 1.29 0.31 0.00 -0.34 0.00 0.00 178.44 179.64 1upm h ALA 456 N 0.56 1.01 -0.35 1.25 0.00 -1.09 0.36 119.26 121.00 1upm h ALA 456 Ca -0.03 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 456 Cb 1.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1upm h ALA 456 CO 0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 179.25 179.01 1upm h ALA 457 N 1.51 1.00 -0.63 0.00 0.00 -1.22 -1.74 119.26 118.17 1upm h ALA 457 Ca 0.39 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1upm h ALA 457 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1upm h ALA 457 CO -0.36 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.53 1upm h ALA 458 N 1.20 0.89 -0.49 0.00 0.00 -0.90 -2.95 119.26 117.01 1upm h ALA 458 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1upm h ALA 458 Cb 0.66 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1upm h ALA 458 CO 0.05 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.11 1upm h GLU 460 N 0.66 0.34 -0.57 0.00 5.08 -1.35 -1.70 114.58 117.04 1upm h GLU 460 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1upm h GLU 460 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1upm h GLU 460 CO -0.00 0.22 0.27 0.28 -1.00 0.00 0.00 179.01 178.78 1upm h VAL 461 N 0.35 1.21 -0.34 3.13 2.07 -1.33 -3.30 116.25 118.04 1upm h VAL 461 Ca 0.18 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1upm h VAL 461 Cb 0.14 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1upm h VAL 461 CO -0.16 0.23 0.00 0.79 0.02 0.00 0.00 177.57 178.45 1upm n TRP 462 N -4.55 0.62 -0.13 1.57 8.01 -1.09 -4.72 117.44 117.16 1upm n TRP 462 Ca 0.03 -0.59 0.27 0.00 -1.31 0.00 0.00 57.50 55.90 1upm n TRP 462 Cb 0.12 -0.10 0.72 0.00 -2.01 0.00 0.00 31.31 30.04 1upm n TRP 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1upm h LYS 463 N 2.07 0.00 -0.16 -0.99 2.10 -1.38 -1.50 116.57 116.70 1upm h LYS 463 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1upm h LYS 463 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1upm h LYS 463 CO 0.06 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.90 1upm n GLU 464 N -4.16 2.15 -3.38 0.07 -0.58 -1.26 -4.97 120.64 108.51 1upm n GLU 464 Ca 0.16 -1.70 -0.39 0.00 -0.42 0.00 0.00 57.16 54.82 1upm n GLU 464 Cb 0.90 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 1upm n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upm s ILE 465 N -1.81 5.18 0.01 -3.67 -1.09 -0.57 -5.03 121.20 114.22 1upm s ILE 465 Ca 0.34 0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 59.40 1upm s ILE 465 Cb 0.21 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1upm s ILE 465 CO 0.30 0.21 0.05 -0.54 -1.23 0.00 0.00 174.94 173.73 1upm s LYS 466 N 1.65 0.41 -0.33 2.79 1.02 -1.26 -5.04 119.74 118.98 1upm s LYS 466 Ca 0.18 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1upm s LYS 466 Cb -0.15 0.16 0.10 0.00 -0.52 0.00 0.00 37.83 37.42 1upm s LYS 466 CO 0.09 -0.09 0.04 -0.06 -0.92 0.00 0.00 175.35 174.41 1upm s PHE 467 N -1.55 3.54 -0.22 3.18 0.40 -1.26 -5.08 117.98 116.99 1upm s PHE 467 Ca -0.14 -2.84 -0.01 0.00 -0.60 0.00 0.00 56.93 53.33 1upm s PHE 467 Cb -0.08 -2.74 0.06 0.00 0.51 0.00 0.00 43.02 40.77 1upm s PHE 467 CO -0.00 -0.94 0.01 -1.21 0.70 0.00 0.00 175.22 173.78 1upm s GLU 468 N 0.98 0.98 0.06 0.44 2.02 -1.26 -4.76 118.70 117.16 1upm s GLU 468 Ca 0.09 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 1upm s GLU 468 Cb -0.19 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1upm s GLU 468 CO -0.09 -0.65 0.04 -0.06 0.02 0.00 0.00 175.26 174.51 1upm s PHE 469 N 1.69 0.38 0.21 1.61 0.40 -1.26 -5.14 117.98 115.86 1upm s PHE 469 Ca -0.02 -0.86 -0.31 0.00 -0.60 0.00 0.00 56.93 55.14 1upm s PHE 469 Cb -0.18 -0.27 -0.10 0.00 0.51 0.00 0.00 43.02 42.98 1upm s PHE 469 CO -0.09 -0.41 1.48 -2.14 0.70 0.00 0.00 175.22 174.77 1upm s PRO 470 N -3.64 4.25 0.38 0.24 0.01 -1.26 -4.99 135.00 129.99 1upm s PRO 470 Ca 0.04 2.31 -0.23 0.00 0.01 0.00 0.00 61.00 63.12 1upm s PRO 470 Cb 0.05 -3.14 -0.10 0.00 0.01 0.00 0.00 34.50 31.32 1upm s PRO 470 CO -0.09 -0.49 0.95 0.00 0.01 0.00 0.00 177.00 177.37 1upm s ALA 471 N 0.52 3.12 -0.13 -1.55 0.00 -1.26 -4.97 121.76 117.49 1upm s ALA 471 Ca 0.64 0.45 0.17 0.00 0.00 0.00 0.00 51.96 53.22 1upm s ALA 471 Cb -0.42 -3.16 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 1upm s ALA 471 CO 0.38 0.15 0.82 -1.33 0.00 0.00 0.00 175.76 175.78 1upm n MET 472 N -0.08 0.62 -3.74 0.00 2.81 -1.26 -4.78 117.12 110.69 1upm n MET 472 Ca 0.05 0.21 -0.36 0.00 -1.81 0.00 0.00 57.70 55.79 1upm n MET 472 Cb 0.52 -1.80 -0.10 0.00 -0.71 0.00 0.00 33.22 31.12 1upm n MET 472 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1upm s ASP 473 N -5.75 5.25 0.25 7.83 2.15 -1.26 -4.43 116.67 120.70 1upm s ASP 473 Ca -0.03 -2.48 0.11 0.00 0.43 0.00 0.00 52.55 50.59 1upm s ASP 473 Cb 0.09 -1.84 -0.05 0.00 -0.30 0.00 0.00 42.92 40.82 1upm s ASP 473 CO 0.81 -0.45 -0.19 0.42 -0.17 0.00 0.00 175.17 175.59 1upm s THR 474 N 0.49 2.55 -1.44 1.71 -4.23 -1.26 -4.66 115.64 108.80 1upm s THR 474 Ca 0.13 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1upm s THR 474 Cb -0.22 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1upm s THR 474 CO -0.04 -0.30 0.36 0.52 -0.54 0.00 0.00 174.62 174.63