#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 -5.50 -4.81 0.00 3.41 -1.26 -5.04 113.62 100.41 1upm n SER 10 Ca 0.00 1.50 -0.28 0.00 -0.26 0.00 0.00 58.87 59.83 1upm n SER 10 Cb 0.00 -3.69 -0.06 0.00 -0.26 0.00 0.00 64.21 60.21 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 -0.35 4.67 0.61 -3.33 0.11 -1.26 -5.09 120.40 115.76 1upm s VAL 11 Ca -0.01 -0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 58.02 1upm s VAL 11 Cb 0.00 -3.32 -0.07 0.00 -1.53 0.00 0.00 36.38 31.46 1upm s VAL 11 CO 0.02 0.02 0.53 1.21 -3.33 0.00 0.00 175.10 173.55 1upm n GLU 12 N 0.04 0.47 -2.37 1.54 0.00 -1.26 -4.92 120.64 114.13 1upm n GLU 12 Ca -0.08 0.19 -0.42 0.00 0.00 0.00 0.00 57.16 56.85 1upm n GLU 12 Cb 0.53 -1.75 -0.03 0.00 0.00 0.00 0.00 31.44 30.20 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 -1.76 3.17 -0.27 4.31 5.36 -1.26 -5.02 117.98 122.50 1upm s PHE 13 Ca 0.68 1.12 0.03 0.00 -0.96 0.00 0.00 56.93 57.80 1upm s PHE 13 Cb -0.42 -3.50 0.07 0.00 -0.34 0.00 0.00 43.02 38.83 1upm s PHE 13 CO 0.55 -1.65 -0.08 0.21 -1.46 0.00 0.00 175.22 172.79 1upm s LYS 14 N 1.91 2.11 0.33 10.12 2.47 -1.26 -5.11 119.74 130.31 1upm s LYS 14 Ca 0.59 -1.44 -0.29 0.00 -1.56 0.00 0.00 55.97 53.27 1upm s LYS 14 Cb -0.28 -2.95 -0.10 0.00 -1.46 0.00 0.00 37.83 33.04 1upm s LYS 14 CO 0.25 -0.64 1.28 0.00 0.16 0.00 0.00 175.35 176.41 1upm s ALA 15 N 1.07 3.48 0.00 3.13 0.00 -1.26 -4.77 121.76 123.40 1upm s ALA 15 Ca -0.05 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1upm s ALA 15 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1upm s ALA 15 CO -0.05 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1upm n GLY 16 N 0.83 2.32 3.89 0.00 0.00 -1.26 -4.99 105.19 105.98 1upm n GLY 16 Ca 0.00 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1upm n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upm s VAL 17 N -1.64 5.13 0.26 1.61 0.11 -1.26 -1.94 120.40 122.67 1upm s VAL 17 Ca 0.00 0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 1upm s VAL 17 Cb 0.00 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1upm s VAL 17 CO 0.00 0.06 0.42 -1.59 -3.33 0.00 0.00 175.10 170.66 1upm s LYS 18 N -2.57 1.58 0.39 1.54 -2.85 -1.26 -4.99 119.74 111.57 1upm s LYS 18 Ca 0.41 -1.44 -0.25 0.00 -1.00 0.00 0.00 55.97 53.68 1upm s LYS 18 Cb -0.12 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1upm s LYS 18 CO 0.23 -0.64 1.11 -0.51 0.10 0.00 0.00 175.35 175.65 1upm s ASP 19 N -3.10 6.69 0.38 0.03 1.01 -1.26 -4.93 116.67 115.50 1upm s ASP 19 Ca 0.27 2.21 0.07 0.00 0.71 0.00 0.00 52.55 55.81 1upm s ASP 19 Cb 0.01 -2.60 0.80 0.00 1.01 0.00 0.00 42.92 42.14 1upm s ASP 19 CO 0.12 -0.55 1.97 1.88 0.21 0.00 0.00 175.17 178.81 1upm h TYR 20 N 2.70 0.69 0.00 4.23 0.05 -1.93 -2.85 116.97 119.85 1upm h TYR 20 Ca -0.48 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.30 1upm h TYR 20 Cb 1.22 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1upm h TYR 20 CO 0.57 0.36 -0.08 1.57 -1.05 0.00 0.00 178.16 179.53 1upm h LYS 21 N 0.68 0.00 -0.08 4.88 2.10 -1.86 0.79 116.57 123.08 1upm h LYS 21 Ca 0.30 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.97 1upm h LYS 21 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1upm h LYS 21 CO -0.09 0.08 0.07 -0.07 -2.00 0.00 0.00 179.45 177.43 1upm h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.85 -3.09 115.31 120.82 1upm h LEU 22 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1upm h LEU 22 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1upm h LEU 22 CO 0.01 0.00 -1.32 0.41 0.09 0.00 0.00 178.44 177.63 1upm n THR 23 N -4.26 0.32 0.13 0.22 -1.04 -0.53 -4.84 114.28 104.29 1upm n THR 23 Ca -0.01 -0.17 0.05 0.00 -2.04 0.00 0.00 64.05 61.87 1upm n THR 23 Cb 0.17 -0.82 0.08 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.33 0.19 -3.89 -1.42 4.01 0.16 -4.87 117.16 109.01 1upm n TYR 24 Ca -0.08 -0.24 -0.36 0.00 -0.16 0.00 0.00 57.90 57.06 1upm n TYR 24 Cb 0.64 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.53 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 -0.90 3.06 -0.41 -0.72 5.04 -1.17 -1.70 117.35 120.55 1upm s TYR 25 Ca 0.15 -0.48 0.08 0.00 -2.44 0.00 0.00 57.07 54.39 1upm s TYR 25 Cb 0.09 -2.16 0.28 0.00 0.35 0.00 0.00 41.96 40.52 1upm s TYR 25 CO 0.13 -0.32 0.70 2.41 -1.34 0.00 0.00 175.55 177.13 1upm n THR 26 N 4.61 -0.37 0.31 4.34 -1.04 0.11 -4.91 114.28 117.33 1upm n THR 26 Ca -0.17 -3.37 0.16 0.00 -2.04 0.00 0.00 64.05 58.63 1upm n THR 26 Cb 0.51 -0.53 0.71 0.00 -1.82 0.00 0.00 70.33 69.20 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 3.69 0.00 -0.01 -2.82 0.13 -1.74 -2.15 132.00 129.10 1upm h PRO 27 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1upm h PRO 27 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1upm h PRO 27 CO 0.41 0.00 -0.08 0.39 -0.23 0.00 0.00 178.00 178.49 1upm n GLU 28 N -2.73 1.17 -2.15 0.86 -0.58 -1.26 -4.82 120.64 111.12 1upm n GLU 28 Ca 0.00 -0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 55.76 1upm n GLU 28 Cb 0.21 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.22 3.20 -0.14 -0.32 5.04 -0.81 -5.01 117.35 117.10 1upm s TYR 29 Ca 0.34 1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 55.88 1upm s TYR 29 Cb 0.21 -3.69 -0.04 0.00 0.35 0.00 0.00 41.96 38.79 1upm s TYR 29 CO 0.41 -2.27 0.39 -1.21 -1.34 0.00 0.00 175.55 171.53 1upm s GLU 30 N 0.31 4.30 0.43 4.97 2.02 -1.26 -5.00 118.70 124.47 1upm s GLU 30 Ca 0.60 0.28 -0.24 0.00 0.02 0.00 0.00 54.97 55.63 1upm s GLU 30 Cb -0.38 -3.43 -0.08 0.00 0.10 0.00 0.00 34.13 30.34 1upm s GLU 30 CO 0.36 0.20 1.20 0.95 0.02 0.00 0.00 175.26 177.99 1upm s THR 31 N 0.54 3.00 0.37 3.63 -4.23 -1.26 -5.02 115.64 112.67 1upm s THR 31 Ca 0.21 0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 61.42 1upm s THR 31 Cb -0.14 -3.44 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 1upm s THR 31 CO 0.07 0.04 0.74 -0.76 -0.54 0.00 0.00 174.62 174.17 1upm s LEU 32 N -2.75 3.91 0.00 4.79 1.43 -1.26 -4.98 118.68 119.82 1upm s LEU 32 Ca 0.60 1.12 0.19 0.00 -1.03 0.00 0.00 54.13 55.02 1upm s LEU 32 Cb -0.31 -3.98 0.84 0.00 0.03 0.00 0.00 46.19 42.77 1upm s LEU 32 CO 0.39 -0.33 1.60 0.47 0.23 0.00 0.00 176.35 178.72 1upm n ASP 33 N -1.01 0.00 -0.31 2.29 8.00 -1.26 -2.01 116.55 122.25 1upm n ASP 33 Ca 0.02 0.40 0.12 0.00 0.71 0.00 0.00 54.79 56.04 1upm n ASP 33 Cb 0.54 -0.45 0.22 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.45 0.00 -2.42 -3.53 -2.24 -1.26 -4.55 114.28 98.82 1upm n THR 34 Ca 0.06 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1upm n THR 34 Cb 0.21 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.54 6.35 -0.06 3.42 1.01 -0.85 -3.62 116.67 120.38 1upm s ASP 35 Ca 0.21 2.11 -0.21 0.00 0.71 0.00 0.00 52.55 55.37 1upm s ASP 35 Cb 0.19 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1upm s ASP 35 CO 0.56 -0.78 0.61 -0.63 0.21 0.00 0.00 175.17 175.14 1upm s ILE 36 N -1.72 5.04 -0.13 0.77 1.09 0.85 -4.19 121.20 122.92 1upm s ILE 36 Ca 0.64 1.25 -0.02 0.00 -1.10 0.00 0.00 60.65 61.42 1upm s ILE 36 Cb -0.23 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.20 1upm s ILE 36 CO 0.28 0.32 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.61 1upm s LEU 37 N 0.44 3.06 -0.11 2.97 1.43 -1.05 -0.23 118.68 125.20 1upm s LEU 37 Ca 0.32 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1upm s LEU 37 Cb -0.17 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1upm s LEU 37 CO 0.16 0.20 -0.15 0.00 0.23 0.00 0.00 176.35 176.79 1upm s ALA 38 N 0.16 2.58 -0.45 4.21 0.00 0.14 -0.07 121.76 128.33 1upm s ALA 38 Ca -0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 1upm s ALA 38 Cb -0.14 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 21.93 1upm s ALA 38 CO 0.04 0.33 0.36 0.00 0.00 0.00 0.00 175.76 176.48 1upm s ALA 39 N 0.07 3.52 -0.18 0.00 0.00 -0.84 -0.64 121.76 123.69 1upm s ALA 39 Ca -0.06 -1.98 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 1upm s ALA 39 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1upm s ALA 39 CO 0.05 -1.63 0.05 -0.06 0.00 0.00 0.00 175.76 174.17 1upm s PHE 40 N 1.64 3.22 -0.63 0.00 0.08 0.09 -1.07 117.98 121.32 1upm s PHE 40 Ca 0.04 0.01 -0.25 0.00 0.12 0.00 0.00 56.93 56.86 1upm s PHE 40 Cb -0.22 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1upm s PHE 40 CO 0.08 0.11 1.06 0.50 -0.10 0.00 0.00 175.22 176.86 1upm s ARG 41 N 0.44 3.26 -0.18 0.44 3.52 0.36 -0.30 118.95 126.49 1upm s ARG 41 Ca 0.02 -0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 55.21 1upm s ARG 41 Cb -0.13 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1upm s ARG 41 CO 0.01 -1.76 0.04 0.08 -0.81 0.00 0.00 175.30 172.86 1upm s VAL 42 N 4.52 4.51 -0.45 7.11 1.01 0.87 -1.41 120.40 136.56 1upm s VAL 42 Ca 0.31 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1upm s VAL 42 Cb -0.12 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1upm s VAL 42 CO 0.17 0.46 0.20 -0.44 0.00 0.00 0.00 175.10 175.49 1upm s SER 43 N 0.45 4.78 0.65 3.32 0.01 -0.63 -1.42 113.70 120.85 1upm s SER 43 Ca 0.01 -2.51 -0.15 0.00 1.31 0.00 0.00 55.95 54.62 1upm s SER 43 Cb -0.13 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1upm s SER 43 CO 0.01 -0.36 1.09 -2.84 0.41 0.00 0.00 173.24 171.55 1upm s PRO 44 N 0.43 2.95 0.69 12.44 0.02 -1.25 -0.31 135.00 149.96 1upm s PRO 44 Ca 0.13 1.29 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 1upm s PRO 44 Cb -0.22 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1upm s PRO 44 CO -0.04 -1.12 1.11 -0.65 -0.33 0.00 0.00 177.00 175.97 1upm s GLN 45 N -4.19 2.65 0.18 5.54 -1.52 -0.71 -4.47 119.66 117.14 1upm s GLN 45 Ca 0.65 1.35 -0.33 0.00 -1.95 0.00 0.00 55.36 55.08 1upm s GLN 45 Cb -0.18 -1.93 -0.14 0.00 -0.22 0.00 0.00 33.01 30.53 1upm s GLN 45 CO 0.42 -1.36 1.51 -2.30 -0.25 0.00 0.00 175.29 173.30 1upm n PRO 46 N -2.68 2.03 -0.38 2.91 -0.02 -1.26 -1.80 135.00 133.81 1upm n PRO 46 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1upm n PRO 46 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.98 0.86 3.40 -1.23 0.00 -1.26 -5.02 105.19 104.91 1upm n GLY 47 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.85 4.65 0.59 1.61 1.01 -0.74 -5.08 120.40 119.60 1upm s VAL 48 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1upm s VAL 48 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1upm s VAL 48 CO 0.00 -0.18 1.30 -2.16 0.00 0.00 0.00 175.10 174.05 1upm s PRO 49 N 1.58 2.89 0.39 2.72 0.04 -1.26 -4.77 135.00 136.59 1upm s PRO 49 Ca 0.03 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.22 1upm s PRO 49 Cb -0.19 -2.03 0.83 0.00 0.04 0.00 0.00 34.50 33.15 1upm s PRO 49 CO 0.07 -1.34 2.01 -1.00 0.04 0.00 0.00 177.00 176.78 1upm h PRO 50 N 1.00 0.60 -0.65 0.56 0.13 -1.98 -1.98 132.00 129.68 1upm h PRO 50 Ca -0.51 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1upm h PRO 50 Cb 1.31 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1upm h PRO 50 CO 0.55 0.40 0.42 0.93 -0.23 0.00 0.00 178.00 180.08 1upm h GLU 51 N 0.62 0.83 -0.06 0.86 3.07 -1.99 -0.16 114.58 117.75 1upm h GLU 51 Ca 0.23 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 1upm h GLU 51 Cb 0.12 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1upm h GLU 51 CO -0.06 0.55 -0.75 1.49 -1.40 0.00 0.00 179.01 178.84 1upm h GLU 52 N 0.85 0.34 -0.10 2.33 4.57 -1.79 -1.25 114.58 119.53 1upm h GLU 52 Ca 0.25 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1upm h GLU 52 Cb -0.06 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1upm h GLU 52 CO -0.07 0.94 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 1upm h ALA 53 N 0.97 0.14 -0.39 2.92 0.00 -1.17 0.06 119.26 121.79 1upm h ALA 53 Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1upm h ALA 53 Cb 1.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1upm h ALA 53 CO 0.12 -0.18 0.21 0.78 0.00 0.00 0.00 179.25 180.18 1upm h GLY 54 N -0.09 0.59 0.65 0.00 0.00 -1.03 -1.88 103.07 101.32 1upm h GLY 54 Ca 0.03 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.14 1upm h GLY 54 CO 0.00 0.27 0.36 0.00 0.00 0.00 0.00 176.54 177.17 1upm h ALA 55 N 1.06 0.89 -0.27 3.60 0.00 -1.14 -1.84 119.26 121.57 1upm h ALA 55 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 55 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1upm h ALA 55 CO -0.02 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.33 1upm h ALA 56 N 1.36 0.35 -0.20 0.00 0.00 -0.63 0.60 119.26 120.74 1upm h ALA 56 Ca 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1upm h ALA 56 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1upm h ALA 56 CO -0.19 -0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.43 1upm h VAL 57 N 0.27 1.01 -0.56 0.00 2.07 -1.15 -2.41 116.25 115.49 1upm h VAL 57 Ca 0.09 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1upm h VAL 57 Cb 0.25 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1upm h VAL 57 CO -0.00 0.04 0.36 0.00 0.02 0.00 0.00 177.57 177.98 1upm h ALA 58 N 1.09 0.71 -0.26 1.67 0.00 -1.20 -2.28 119.26 119.00 1upm h ALA 58 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 58 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1upm h ALA 58 CO -0.05 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.38 1upm h ALA 59 N 1.22 0.34 0.00 0.00 0.00 -0.77 -3.15 119.26 116.90 1upm h ALA 59 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1upm h ALA 59 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1upm h ALA 59 CO -0.07 -0.01 -0.36 -1.91 0.00 0.00 0.00 179.25 176.91 1upm n GLU 60 N -4.71 0.14 -0.54 0.00 4.07 -0.92 -0.25 120.64 118.42 1upm n GLU 60 Ca -0.03 0.06 0.08 0.00 -0.06 0.00 0.00 57.16 57.21 1upm n GLU 60 Cb 0.18 -1.61 0.31 0.00 -0.06 0.00 0.00 31.44 30.26 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 -1.82 4.21 0.00 4.31 3.41 -0.86 -4.78 113.62 118.08 1upm n SER 61 Ca 0.05 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1upm n SER 61 Cb 0.39 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.94 0.00 0.00 4.04 3.41 -0.96 -4.49 113.62 116.56 1upm n SER 62 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1upm n SER 62 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 -1.00 0.00 -4.04 6.66 -2.24 -0.77 -4.94 114.28 107.95 1upm n THR 63 Ca 0.00 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.32 1upm n THR 63 Cb 0.00 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.53 1.82 0.00 3.38 0.00 0.65 -5.03 107.32 107.61 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 -0.15 0.00 0.33 0.90 5.66 -1.26 -4.25 114.28 115.51 1upm n THR 65 Ca -0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.04 1upm n THR 65 Cb 0.54 0.00 0.19 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 0.40 0.00 -3.00 1.09 5.08 -2.00 -3.46 115.95 114.07 1upm h TRP 66 Ca 0.00 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.53 1upm h TRP 66 Cb 0.00 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.02 1upm h TRP 66 CO 0.00 0.00 -0.64 -0.08 -1.28 0.00 0.00 178.44 176.44 1upm s THR 67 N -3.21 1.23 0.14 0.12 -1.32 -1.26 -4.66 115.64 106.68 1upm s THR 67 Ca 0.06 -2.04 -0.30 0.00 -1.21 0.00 0.00 61.69 58.20 1upm s THR 67 Cb 0.09 -2.53 -0.07 0.00 -1.51 0.00 0.00 72.50 68.48 1upm s THR 67 CO 0.68 -0.20 1.01 -0.89 -2.21 0.00 0.00 174.62 173.02 1upm s THR 68 N -3.29 4.25 -0.11 5.08 2.01 -0.82 -4.99 115.64 117.78 1upm s THR 68 Ca 0.32 1.91 0.02 0.00 0.31 0.00 0.00 61.69 64.25 1upm s THR 68 Cb 0.06 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1upm s THR 68 CO 0.12 0.31 -0.20 0.54 -0.69 0.00 0.00 174.62 174.70 1upm s VAL 69 N -0.13 2.44 0.49 3.82 0.11 -1.26 -4.50 120.40 121.37 1upm s VAL 69 Ca 0.48 -0.88 0.21 0.00 -2.93 0.00 0.00 61.98 58.86 1upm s VAL 69 Cb -0.26 -1.97 0.27 0.00 -1.53 0.00 0.00 36.38 32.89 1upm s VAL 69 CO 0.32 0.55 2.11 4.11 -3.33 0.00 0.00 175.10 178.85 1upm h TRP 70 N 6.71 0.00 0.00 1.54 5.08 -1.96 -3.12 115.95 124.20 1upm h TRP 70 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.75 1upm h TRP 70 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1upm h TRP 70 CO 0.48 0.08 0.00 0.25 -1.28 0.00 0.00 178.44 177.98 1upm n THR 71 N -4.11 1.19 -0.09 0.12 -2.24 -1.26 -2.50 114.28 105.38 1upm n THR 71 Ca -0.03 0.30 0.06 0.00 -2.27 0.00 0.00 64.05 62.11 1upm n THR 71 Cb 0.17 -1.10 0.40 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.54 0.53 3.42 3.32 -1.93 -2.41 116.42 119.90 1upm h ASP 72 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1upm h ASP 72 Cb 0.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1upm h ASP 72 CO 0.00 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 1upm n GLY 73 N -1.47 -1.03 0.17 2.75 0.00 -1.04 -2.42 105.19 102.15 1upm n GLY 73 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.66 -3.47 115.31 114.55 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1upm h LEU 74 CO 0.00 0.33 0.00 0.35 0.09 0.00 0.00 178.44 179.21 1upm n THR 75 N -3.20 0.00 -3.78 0.22 -2.24 -1.02 -5.10 114.28 99.17 1upm n THR 75 Ca 0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 1upm n THR 75 Cb 0.65 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.43 5.01 0.30 3.42 3.84 -1.26 -4.97 114.94 120.85 1upm s ASN 76 Ca 0.00 -2.98 0.00 0.00 0.21 0.00 0.00 52.86 50.09 1upm s ASN 76 Cb 0.00 -1.80 0.51 0.00 -0.55 0.00 0.00 41.25 39.41 1upm s ASN 76 CO 0.00 -0.31 1.91 0.25 -2.79 0.00 0.00 177.10 176.15 1upm h LEU 77 N 6.78 0.93 -1.43 3.21 5.85 -2.00 -1.92 115.31 126.73 1upm h LEU 77 Ca -0.02 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1upm h LEU 77 Cb 0.92 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1upm h LEU 77 CO 0.71 0.59 -0.26 0.44 -0.34 0.00 0.00 178.44 179.58 1upm h ASP 78 N 1.05 0.00 1.93 1.25 3.32 -1.96 0.97 116.42 122.98 1upm h ASP 78 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1upm h ASP 78 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1upm h ASP 78 CO -0.15 0.26 -0.01 0.08 -1.72 0.00 0.00 179.24 177.70 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.78 -3.37 114.38 112.90 1upm h ARG 79 Ca -0.00 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.81 1upm h ARG 79 Cb 0.59 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.62 1upm h ARG 79 CO 0.03 0.00 -2.25 0.66 0.10 0.00 0.00 179.97 178.52 1upm n TYR 80 N -3.00 0.00 -1.73 4.08 4.01 -0.66 -4.85 117.16 115.01 1upm n TYR 80 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1upm n TYR 80 Cb 0.52 -0.84 -0.01 0.00 -0.31 0.00 0.00 39.34 38.70 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 -2.60 2.43 -1.56 -0.72 2.85 0.25 -4.63 118.16 114.18 1upm n LYS 81 Ca -0.24 0.86 -0.32 0.00 -1.05 0.00 0.00 58.31 57.55 1upm n LYS 81 Cb 0.98 -2.55 0.07 0.00 -0.65 0.00 0.00 35.03 32.87 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 0.11 1.98 -0.19 2.58 0.00 -1.26 -4.64 107.32 105.91 1upm s GLY 82 Ca 0.60 0.46 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 1upm s GLY 82 CO 0.56 0.81 0.44 1.09 0.00 0.00 0.00 173.10 176.00 1upm s ARG 83 N -4.39 0.41 -0.39 2.90 1.70 -0.39 -4.64 118.95 114.17 1upm s ARG 83 Ca 0.65 0.89 -0.29 0.00 -0.47 0.00 0.00 55.73 56.52 1upm s ARG 83 Cb -0.20 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.28 1upm s ARG 83 CO 0.47 -0.18 1.28 0.00 -1.08 0.00 0.00 175.30 175.79 1upm n TYR 85 N 8.02 0.00 -3.66 0.00 4.11 -0.53 -0.71 117.16 124.39 1upm n TYR 85 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.91 1upm n TYR 85 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.74 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 -2.00 -0.72 -0.09 -3.48 5.04 -1.24 -4.25 115.29 108.55 1upm s HIS 86 Ca 0.05 1.72 -0.00 0.00 -1.54 0.00 0.00 55.06 55.29 1upm s HIS 86 Cb 0.09 0.27 0.02 0.00 0.04 0.00 0.00 32.58 33.00 1upm s HIS 86 CO 0.45 -0.35 -0.07 0.42 -2.34 0.00 0.00 174.74 172.85 1upm s ILE 87 N 0.47 0.87 -0.10 0.89 1.01 -1.26 -1.36 121.20 121.72 1upm s ILE 87 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1upm s ILE 87 Cb -0.05 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1upm s ILE 87 CO -0.01 0.33 -0.19 -0.70 0.00 0.00 0.00 174.94 174.37 1upm s GLU 88 N 1.51 2.54 0.40 2.79 2.12 -0.33 -5.00 118.70 122.74 1upm s GLU 88 Ca 0.00 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.40 1upm s GLU 88 Cb -0.13 -2.02 -0.09 0.00 0.26 0.00 0.00 34.13 32.15 1upm s GLU 88 CO -0.05 0.06 1.09 -1.25 -0.54 0.00 0.00 175.26 174.56 1upm s PRO 89 N 0.65 4.12 -0.17 4.30 0.04 -1.26 -0.18 135.00 142.50 1upm s PRO 89 Ca -0.13 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1upm s PRO 89 Cb -0.16 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1upm s PRO 89 CO 0.04 -0.20 0.54 0.08 0.04 0.00 0.00 177.00 177.49 1upm s VAL 90 N -1.57 5.11 0.05 -0.36 1.01 -0.21 -4.80 120.40 119.62 1upm s VAL 90 Ca 0.58 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.28 1upm s VAL 90 Cb -0.25 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1upm s VAL 90 CO 0.31 0.21 1.52 0.00 0.00 0.00 0.00 175.10 177.14 1upm s ALA 91 N 1.37 3.64 0.00 5.51 0.00 -1.26 -2.38 121.76 128.64 1upm s ALA 91 Ca 0.26 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1upm s ALA 91 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1upm s ALA 91 CO 0.10 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1upm n GLY 92 N 3.79 0.74 3.02 0.00 0.00 -1.26 -5.04 105.19 106.45 1upm n GLY 92 Ca 0.14 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.64 1.66 -0.07 1.61 0.41 -1.00 -5.11 118.70 115.57 1upm s GLU 93 Ca 0.00 -0.40 -0.30 0.00 -0.41 0.00 0.00 54.97 53.86 1upm s GLU 93 Cb 0.00 -1.38 -0.03 0.00 -1.78 0.00 0.00 34.13 30.94 1upm s GLU 93 CO 0.00 0.02 1.17 -1.83 -0.49 0.00 0.00 175.26 174.13 1upm s GLU 94 N 0.67 4.36 -1.43 1.61 1.03 -1.26 -4.36 118.70 119.32 1upm s GLU 94 Ca -0.14 1.63 -0.08 0.00 0.03 0.00 0.00 54.97 56.40 1upm s GLU 94 Cb -0.16 -3.56 0.05 0.00 -0.80 0.00 0.00 34.13 29.66 1upm s GLU 94 CO 0.04 -0.43 0.92 -1.71 -1.33 0.00 0.00 175.26 172.75 1upm n ASN 95 N 5.21 -3.75 -3.82 0.83 5.15 -1.26 -4.98 115.26 112.63 1upm n ASN 95 Ca 0.11 -0.76 -0.18 0.00 -0.60 0.00 0.00 54.58 53.15 1upm n ASN 95 Cb 0.47 -4.13 -0.16 0.00 -0.53 0.00 0.00 39.78 35.42 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 -6.33 0.38 0.05 1.20 0.74 -1.26 -3.96 119.66 110.48 1upm s GLN 96 Ca 0.42 0.06 0.05 0.00 0.05 0.00 0.00 55.36 55.93 1upm s GLN 96 Cb -0.21 -0.55 -0.02 0.00 1.10 0.00 0.00 33.01 33.33 1upm s GLN 96 CO 0.81 -0.14 -0.13 0.71 -0.55 0.00 0.00 175.29 175.99 1upm s TYR 97 N 1.07 1.14 -0.47 1.67 1.51 -0.51 -1.05 117.35 120.72 1upm s TYR 97 Ca -0.09 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.35 1upm s TYR 97 Cb -0.14 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1upm s TYR 97 CO -0.02 0.03 0.78 0.42 -1.11 0.00 0.00 175.55 175.66 1upm s ILE 98 N -1.02 4.64 -0.22 2.71 -1.09 0.75 -0.09 121.20 126.88 1upm s ILE 98 Ca -0.01 0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 58.64 1upm s ILE 98 Cb -0.09 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1upm s ILE 98 CO 0.01 -0.77 0.14 0.00 -1.23 0.00 0.00 174.94 173.10 1upm s TYR 100 N 0.78 3.36 -0.05 0.00 1.51 -0.46 -0.73 117.35 121.76 1upm s TYR 100 Ca 0.07 0.53 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 1upm s TYR 100 Cb -0.13 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.25 1upm s TYR 100 CO 0.02 0.01 -0.20 0.08 -1.11 0.00 0.00 175.55 174.34 1upm s VAL 101 N 1.25 1.67 -0.14 0.71 1.01 0.19 -1.46 120.40 123.63 1upm s VAL 101 Ca 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1upm s VAL 101 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1upm s VAL 101 CO 0.07 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 1upm s ALA 102 N -0.04 2.93 -0.14 5.51 0.00 -0.36 0.25 121.76 129.91 1upm s ALA 102 Ca -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1upm s ALA 102 Cb -0.12 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1upm s ALA 102 CO 0.03 0.25 -0.18 0.71 0.00 0.00 0.00 175.76 176.56 1upm s TYR 103 N 0.27 2.39 0.41 0.00 2.02 0.68 -1.26 117.35 121.86 1upm s TYR 103 Ca -0.04 -1.24 -0.26 0.00 -0.37 0.00 0.00 57.07 55.16 1upm s TYR 103 Cb -0.14 -1.67 -0.10 0.00 -0.40 0.00 0.00 41.96 39.64 1upm s TYR 103 CO 0.03 -0.61 1.29 -2.30 -1.57 0.00 0.00 175.55 172.40 1upm n PRO 104 N 4.30 2.01 -0.34 -1.71 -0.02 -1.26 -0.10 135.00 137.87 1upm n PRO 104 Ca -0.19 0.71 0.22 0.00 -2.02 0.00 0.00 63.50 62.22 1upm n PRO 104 Cb 0.51 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.21 0.55 -0.86 2.45 6.46 -1.93 -2.12 115.31 122.07 1upm h LEU 105 Ca -0.48 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1upm h LEU 105 Cb 1.29 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 1upm h LEU 105 CO 0.61 -0.03 0.00 0.47 -0.62 0.00 0.00 178.44 178.86 1upm n ASP 106 N -4.93 0.64 0.25 1.25 8.00 -1.26 -2.69 116.55 117.82 1upm n ASP 106 Ca 0.30 0.69 0.15 0.00 0.71 0.00 0.00 54.79 56.63 1upm n ASP 106 Cb 0.92 -0.81 0.51 0.00 -0.02 0.00 0.00 41.12 41.72 1upm n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upm h LEU 107 N 0.00 0.00 -9.59 0.64 3.38 -1.75 -3.46 115.31 104.53 1upm h LEU 107 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1upm h LEU 107 Cb 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1upm h LEU 107 CO 0.00 0.03 -0.57 -0.36 0.09 0.00 0.00 178.44 177.62 1upm s PHE 108 N -3.53 3.29 -0.08 1.13 0.08 -1.09 -5.06 117.98 112.72 1upm s PHE 108 Ca 0.03 0.20 -0.27 0.00 0.12 0.00 0.00 56.93 57.00 1upm s PHE 108 Cb 0.08 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1upm s PHE 108 CO 0.59 0.55 0.88 -2.00 -0.10 0.00 0.00 175.22 175.14 1upm s GLU 109 N -1.83 4.44 0.28 0.44 2.12 -1.26 -5.01 118.70 117.88 1upm s GLU 109 Ca 0.24 1.19 -0.30 0.00 0.36 0.00 0.00 54.97 56.46 1upm s GLU 109 Cb -0.12 -3.50 -0.13 0.00 0.26 0.00 0.00 34.13 30.64 1upm s GLU 109 CO 0.15 -0.14 1.39 0.39 -0.54 0.00 0.00 175.26 176.51 1upm n GLU 110 N 4.41 2.15 -0.83 4.30 4.71 -1.26 -2.66 120.64 131.46 1upm n GLU 110 Ca 0.04 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.96 1upm n GLU 110 Cb 0.50 -2.41 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 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 1.63 0.39 3.14 0.62 0.00 -1.20 -4.98 105.19 104.78 1upm n GLY 111 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.30 5.38 0.23 1.61 0.15 -1.09 -4.92 113.70 112.76 1upm s SER 112 Ca 0.00 -2.29 -0.07 0.00 0.70 0.00 0.00 55.95 54.29 1upm s SER 112 Cb 0.00 -1.88 0.31 0.00 -1.71 0.00 0.00 66.02 62.73 1upm s SER 112 CO 0.00 -0.52 1.82 0.58 1.20 0.00 0.00 173.24 176.32 1upm h VAL 113 N 5.93 0.97 -0.83 4.45 2.07 -1.94 -2.45 116.25 124.46 1upm h VAL 113 Ca -0.10 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.32 1upm h VAL 113 Cb 1.02 0.11 -0.16 0.00 -1.52 0.00 0.00 31.29 30.75 1upm h VAL 113 CO 0.74 0.14 -0.18 0.74 0.02 0.00 0.00 177.57 179.03 1upm h THR 114 N 0.79 0.18 -0.22 2.57 2.02 -1.92 -1.07 112.91 115.27 1upm h THR 114 Ca 0.35 -0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.38 1upm h THR 114 Cb 0.23 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1upm h THR 114 CO -0.20 0.00 -0.47 -1.13 0.37 0.00 0.00 175.52 174.10 1upm h ASN 115 N 0.01 0.62 0.18 4.18 -0.73 -1.80 -1.65 115.58 116.40 1upm h ASN 115 Ca 0.41 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 1upm h ASN 115 Cb 0.64 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1upm h ASN 115 CO -0.84 0.99 -0.09 -0.03 -0.37 0.00 0.00 177.43 177.10 1upm h MET 116 N 0.46 -0.24 -0.99 6.67 4.05 -0.95 -2.55 114.93 121.38 1upm h MET 116 Ca 0.03 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1upm h MET 116 Cb 0.99 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.78 1upm h MET 116 CO 0.09 -0.05 0.65 0.74 0.23 0.00 0.00 176.91 178.57 1upm h PHE 117 N -0.39 1.20 -0.57 1.39 0.04 -1.32 -2.46 116.94 114.83 1upm h PHE 117 Ca -0.03 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1upm h PHE 117 Cb 0.30 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1upm h PHE 117 CO -0.02 0.67 0.37 1.15 -0.60 0.00 0.00 178.31 179.87 1upm h THR 118 N 1.22 1.11 0.21 -1.55 2.02 -0.92 -0.48 112.91 114.52 1upm h THR 118 Ca 0.41 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1upm h THR 118 Cb 0.07 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1upm h THR 118 CO -0.14 0.13 -0.10 0.28 0.37 0.00 0.00 175.52 176.06 1upm h SER 119 N 0.74 -0.24 1.08 4.18 0.02 -1.32 -2.70 113.55 115.31 1upm h SER 119 Ca 0.22 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1upm h SER 119 Cb -0.04 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1upm h SER 119 CO -0.07 0.16 -0.55 0.40 -1.14 0.00 0.00 176.83 175.63 1upm h ILE 120 N -0.69 1.08 0.00 3.27 2.04 -1.09 -3.29 117.51 118.84 1upm h ILE 120 Ca -0.03 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1upm h ILE 120 Cb 0.48 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1upm h ILE 120 CO 0.05 0.54 -0.05 0.52 0.00 0.00 0.00 178.15 179.21 1upm n VAL 121 N -3.42 0.71 0.13 1.67 0.31 -0.22 -4.86 118.33 112.65 1upm n VAL 121 Ca 0.00 -0.76 -0.07 0.00 -0.01 0.00 0.00 64.34 63.51 1upm n VAL 121 Cb 0.67 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 34.13 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 -0.43 0.00 2.92 0.00 -1.47 -3.43 103.07 100.66 1upm h GLY 122 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1upm h GLY 122 CO 0.00 -0.16 -1.03 0.70 0.00 0.00 0.00 176.54 176.06 1upm n ASN 123 N -5.05 4.86 0.28 0.19 3.02 -1.26 -4.85 115.26 112.45 1upm n ASN 123 Ca -0.06 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.65 1upm n ASN 123 Cb 0.18 0.95 0.76 0.00 -0.61 0.00 0.00 39.78 41.07 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 0.22 0.00 2.41 -1.51 -1.86 -2.93 116.25 112.58 1upm h VAL 124 Ca -0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1upm h VAL 124 Cb 0.17 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1upm h VAL 124 CO 0.00 0.06 0.00 0.49 -1.23 0.00 0.00 177.57 176.89 1upm n PHE 125 N -3.27 0.00 0.00 5.19 3.01 -1.26 -2.97 117.46 118.16 1upm n PHE 125 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 1upm n PHE 125 Cb 0.27 -0.32 0.04 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.14 1.80 3.68 1.37 0.00 -1.11 -4.85 105.19 105.95 1upm n GLY 126 Ca 0.06 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.07 2.31 -0.30 1.61 3.72 -1.16 -4.89 117.46 118.69 1upm n PHE 127 Ca 0.03 0.32 0.02 0.00 -0.05 0.00 0.00 57.45 57.78 1upm n PHE 127 Cb 0.25 -2.52 0.21 0.00 -0.94 0.00 0.00 39.48 36.48 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 5.13 1.08 0.00 -1.08 1.57 -1.95 -2.75 116.57 118.57 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 1.26 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1upm h LYS 128 CO 0.83 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 180.42 1upm n ALA 129 N -2.40 1.89 -2.35 3.86 0.00 -1.26 -4.66 120.51 115.60 1upm n ALA 129 Ca 0.12 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1upm n ALA 129 Cb 0.11 -1.22 -0.15 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 -2.30 2.19 0.00 0.00 1.43 -1.04 -1.73 118.68 117.23 1upm s LEU 130 Ca 0.17 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1upm s LEU 130 Cb 0.09 -1.32 -0.23 0.00 0.03 0.00 0.00 46.19 44.76 1upm s LEU 130 CO 0.18 0.27 0.84 0.03 0.23 0.00 0.00 176.35 177.91 1upm h ARG 131 N 4.94 0.01 -1.88 1.70 3.08 -0.88 -3.44 114.38 117.91 1upm h ARG 131 Ca -0.46 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.63 1upm h ARG 131 Cb 1.14 0.01 -0.20 0.00 0.08 0.00 0.00 29.97 31.00 1upm h ARG 131 CO 0.45 0.66 0.45 0.00 -1.07 0.00 0.00 179.97 180.46 1upm s ALA 132 N -2.63 -1.86 -0.13 0.04 0.00 -1.10 -5.03 121.76 111.05 1upm s ALA 132 Ca -0.03 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 1upm s ALA 132 Cb 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1upm s ALA 132 CO 0.82 -0.43 0.32 -1.17 0.00 0.00 0.00 175.76 175.30 1upm s LEU 133 N -1.53 0.48 -0.04 0.00 0.20 -1.20 -1.60 118.68 114.98 1upm s LEU 133 Ca -0.02 0.68 0.01 0.00 0.69 0.00 0.00 54.13 55.49 1upm s LEU 133 Cb -0.01 1.07 0.02 0.00 -0.43 0.00 0.00 46.19 46.85 1upm s LEU 133 CO -0.00 -0.14 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.28 1upm s ARG 134 N 0.72 0.78 -0.24 1.98 3.52 -0.50 -1.16 118.95 124.05 1upm s ARG 134 Ca -0.05 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.24 1upm s ARG 134 Cb -0.06 -0.82 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 1upm s ARG 134 CO -0.05 -0.09 0.78 -1.17 -0.81 0.00 0.00 175.30 173.96 1upm s LEU 135 N 0.96 4.08 -0.17 -0.88 2.96 -0.03 -0.48 118.68 125.11 1upm s LEU 135 Ca -0.10 0.96 0.04 0.00 -0.22 0.00 0.00 54.13 54.80 1upm s LEU 135 Cb -0.14 -3.11 -0.22 0.00 0.50 0.00 0.00 46.19 43.22 1upm s LEU 135 CO -0.00 -0.48 0.14 -0.62 -1.32 0.00 0.00 176.35 174.07 1upm n GLU 136 N 5.91 0.69 -3.45 1.98 -0.58 -0.23 -1.10 120.64 123.86 1upm n GLU 136 Ca 0.04 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1upm n GLU 136 Cb 0.48 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 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 -6.45 -0.51 -0.02 1.62 -1.08 -1.23 -4.55 116.67 104.45 1upm s ASP 137 Ca -0.22 -0.00 0.02 0.00 -0.52 0.00 0.00 52.55 51.82 1upm s ASP 137 Cb 0.08 0.54 0.01 0.00 -1.46 0.00 0.00 42.92 42.08 1upm s ASP 137 CO 0.73 -0.87 -0.05 -0.76 0.52 0.00 0.00 175.17 174.73 1upm s LEU 138 N -2.67 1.73 -0.42 -1.34 1.43 -1.26 -1.99 118.68 114.16 1upm s LEU 138 Ca 0.02 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 1upm s LEU 138 Cb -0.01 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.86 1upm s LEU 138 CO -0.12 0.02 0.46 -0.60 0.23 0.00 0.00 176.35 176.34 1upm s ARG 139 N 0.28 3.13 -0.37 1.70 3.00 0.90 -4.94 118.95 122.65 1upm s ARG 139 Ca -0.03 -0.71 -0.16 0.00 -1.00 0.00 0.00 55.73 53.82 1upm s ARG 139 Cb -0.07 -3.96 0.00 0.00 0.00 0.00 0.00 34.95 30.91 1upm s ARG 139 CO -0.00 -0.86 0.41 0.42 0.00 0.00 0.00 175.30 175.26 1upm s ILE 140 N 2.21 5.12 0.50 4.11 1.01 -1.26 -2.52 121.20 130.36 1upm s ILE 140 Ca 0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 1upm s ILE 140 Cb -0.17 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1upm s ILE 140 CO 0.14 -0.22 1.19 -2.16 0.00 0.00 0.00 174.94 173.89 1upm s PRO 141 N 2.11 3.55 0.47 2.79 0.04 -1.26 -4.68 135.00 138.02 1upm s PRO 141 Ca 0.13 1.81 0.16 0.00 0.04 0.00 0.00 61.00 63.13 1upm s PRO 141 Cb -0.17 -2.28 1.12 0.00 0.04 0.00 0.00 34.50 33.22 1upm s PRO 141 CO 0.13 -0.74 2.05 -0.39 0.04 0.00 0.00 177.00 178.09 1upm h VAL 142 N 1.62 1.05 -0.03 -0.36 -1.51 -1.84 -0.03 116.25 115.15 1upm h VAL 142 Ca -0.50 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 64.49 1upm h VAL 142 Cb 1.26 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1upm h VAL 142 CO 0.59 0.12 -0.23 0.00 -1.23 0.00 0.00 177.57 176.81 1upm h ALA 143 N 1.88 1.55 0.07 5.19 0.00 -1.91 -2.25 119.26 123.78 1upm h ALA 143 Ca -0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 1upm h ALA 143 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1upm h ALA 143 CO 0.02 0.33 -1.43 -0.92 0.00 0.00 0.00 179.25 177.25 1upm h TYR 144 N 0.05 0.28 -0.97 0.00 3.20 -1.39 -3.34 116.97 114.81 1upm h TYR 144 Ca 0.01 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.72 1upm h TYR 144 Cb 0.45 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1upm h TYR 144 CO 0.00 1.23 0.63 0.28 -1.64 0.00 0.00 178.16 178.66 1upm h VAL 145 N 0.04 1.13 0.00 1.81 2.07 -1.05 -2.09 116.25 118.16 1upm h VAL 145 Ca -0.19 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1upm h VAL 145 Cb 1.96 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1upm h VAL 145 CO 0.14 0.22 0.00 0.11 0.02 0.00 0.00 177.57 178.06 1upm h LYS 146 N 1.18 0.00 0.00 1.57 1.79 -1.53 -2.59 116.57 116.98 1upm h LYS 146 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1upm h LYS 146 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1upm h LYS 146 CO -0.14 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.48 1upm n THR 147 N -2.45 0.00 -4.36 -0.16 -2.24 -0.78 -4.87 114.28 99.41 1upm n THR 147 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.53 1upm n THR 147 Cb 0.20 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 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 2.09 0.10 4.78 0.08 -0.98 -3.22 117.98 118.82 1upm s PHE 148 Ca 0.18 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 1upm s PHE 148 Cb 0.08 -1.09 -0.17 0.00 -0.57 0.00 0.00 43.02 41.27 1upm s PHE 148 CO 0.14 0.35 1.24 0.37 -0.10 0.00 0.00 175.22 177.21 1upm h GLN 149 N 3.62 0.56 0.00 0.44 4.15 -1.87 -3.50 115.11 118.51 1upm h GLN 149 Ca -0.47 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.34 1upm h GLN 149 Cb 1.19 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1upm h GLN 149 CO 0.44 1.23 0.00 0.41 -1.93 0.00 0.00 178.83 178.98 1upm n GLY 150 N 1.04 -0.85 3.65 2.39 0.00 -0.92 -4.85 105.19 105.63 1upm n GLY 150 Ca -0.09 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.13 1.10 -0.15 1.61 -0.02 -1.25 -4.32 135.00 131.84 1upm n PRO 151 Ca 0.00 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1upm n PRO 151 Cb 0.00 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.77 0.62 0.00 0.52 0.11 -1.84 -3.42 132.00 128.76 1upm h PRO 152 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1upm h PRO 152 Cb 1.35 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1upm h PRO 152 CO 0.53 0.49 -0.08 0.72 -0.21 0.00 0.00 178.00 179.44 1upm n HIS 153 N -4.70 -0.18 0.00 0.65 8.25 -1.26 -4.69 115.22 113.29 1upm n HIS 153 Ca 0.01 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1upm n HIS 153 Cb 0.08 0.04 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 3.31 0.24 0.20 -1.41 0.00 -1.26 -4.48 105.19 101.80 1upm n GLY 154 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 1.17 0.03 -0.61 2.04 -1.66 -1.05 117.51 117.43 1upm h ILE 155 Ca 0.00 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1upm h ILE 155 Cb 0.00 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1upm h ILE 155 CO 0.00 0.18 -0.01 -0.61 0.00 0.00 0.00 178.15 177.71 1upm h GLN 156 N 0.60 -0.04 -0.57 2.37 4.15 -1.88 -2.53 115.11 117.21 1upm h GLN 156 Ca 0.16 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.48 1upm h GLN 156 Cb 0.07 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1upm h GLN 156 CO -0.02 0.03 -0.06 0.28 -1.93 0.00 0.00 178.83 177.13 1upm h VAL 157 N -0.10 1.27 -0.55 2.39 2.07 -1.74 -1.97 116.25 117.63 1upm h VAL 157 Ca -0.00 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1upm h VAL 157 Cb 0.09 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1upm h VAL 157 CO 0.01 0.44 0.30 -0.08 0.02 0.00 0.00 177.57 178.25 1upm h GLU 158 N 0.94 0.57 -0.46 1.57 4.81 -1.15 0.29 114.58 121.15 1upm h GLU 158 Ca 0.16 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1upm h GLU 158 Cb 0.62 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1upm h GLU 158 CO 0.04 0.37 -0.13 0.00 -0.73 0.00 0.00 179.01 178.56 1upm h ARG 159 N 0.58 0.86 -0.50 1.92 3.08 -1.24 -2.13 114.38 116.97 1upm h ARG 159 Ca 0.24 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1upm h ARG 159 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1upm h ARG 159 CO -0.14 0.94 0.05 -0.44 -1.07 0.00 0.00 179.97 179.31 1upm h ASP 160 N 0.77 0.81 -0.99 7.04 3.32 -0.78 -0.16 116.42 126.43 1upm h ASP 160 Ca 0.12 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1upm h ASP 160 Cb 0.65 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1upm h ASP 160 CO 0.05 0.89 0.65 0.11 -1.72 0.00 0.00 179.24 179.21 1upm h LYS 161 N 0.71 1.25 -0.01 3.56 1.79 -0.25 -3.07 116.57 120.55 1upm h LYS 161 Ca 0.15 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1upm h LYS 161 Cb 0.44 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1upm h LYS 161 CO 0.02 0.83 -0.54 1.28 -1.08 0.00 0.00 179.45 179.95 1upm n LEU 162 N -4.43 1.19 -3.60 2.94 4.32 -0.82 -4.95 117.00 111.65 1upm n LEU 162 Ca 0.13 -0.40 -0.23 0.00 -0.02 0.00 0.00 56.01 55.48 1upm n LEU 162 Cb 0.06 -0.09 0.08 0.00 -1.62 0.00 0.00 43.42 41.85 1upm n LEU 162 CO 0.35 0.24 0.21 -3.20 -1.22 0.00 0.00 177.39 173.78 1upm n ASN 163 N -0.85 -5.55 -4.05 -1.43 4.05 -0.13 -4.63 115.26 102.67 1upm n ASN 163 Ca 0.08 -0.57 -0.32 0.00 0.45 0.00 0.00 54.58 54.22 1upm n ASN 163 Cb 0.37 -4.95 -0.16 0.00 1.23 0.00 0.00 39.78 36.28 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 -6.19 2.39 0.00 1.20 1.02 -0.88 -5.02 119.74 112.26 1upm s LYS 164 Ca 0.50 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1upm s LYS 164 Cb -0.22 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1upm s LYS 164 CO 0.74 -0.39 -0.05 0.71 -0.92 0.00 0.00 175.35 175.44 1upm s TYR 165 N 1.29 0.42 0.00 3.18 2.02 -1.26 -4.70 117.35 118.30 1upm s TYR 165 Ca -0.01 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1upm s TYR 165 Cb -0.16 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 1upm s TYR 165 CO -0.09 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1upm n GLY 166 N 2.78 0.85 3.57 0.71 0.00 -1.26 -5.04 105.19 106.80 1upm n GLY 166 Ca -0.14 -0.14 -0.08 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 -0.64 0.55 0.61 1.61 1.70 -1.26 -5.03 118.95 116.48 1upm s ARG 167 Ca 0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 55.73 55.08 1upm s ARG 167 Cb 0.00 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 1upm s ARG 167 CO 0.00 -0.20 0.85 -2.30 -1.08 0.00 0.00 175.30 172.57 1upm n PRO 168 N 0.37 0.75 -2.91 3.89 -0.02 -1.12 -4.80 135.00 131.17 1upm n PRO 168 Ca -0.07 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1upm n PRO 168 Cb 0.59 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.44 3.85 -0.15 2.45 1.43 -0.25 -4.94 118.68 119.63 1upm s LEU 169 Ca 0.75 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1upm s LEU 169 Cb -0.41 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1upm s LEU 169 CO 0.48 -0.38 -0.11 -0.76 0.23 0.00 0.00 176.35 175.81 1upm s LEU 170 N -3.87 2.78 0.00 1.79 1.43 -1.26 -0.20 118.68 119.35 1upm s LEU 170 Ca 0.50 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1upm s LEU 170 Cb -0.10 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1upm s LEU 170 CO 0.32 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1upm n GLY 171 N 3.78 4.54 3.15 -3.19 0.00 -0.52 -1.17 105.19 111.79 1upm n GLY 171 Ca -0.18 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 2.42 4.61 0.35 0.00 2.01 -1.26 -4.40 115.64 119.36 1upm s THR 173 Ca -0.04 2.00 -0.28 0.00 0.31 0.00 0.00 61.69 63.68 1upm s THR 173 Cb -0.03 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 1upm s THR 173 CO -0.12 0.23 1.31 -0.63 -0.69 0.00 0.00 174.62 174.72 1upm s ILE 174 N 0.53 2.70 0.53 1.82 -1.09 -1.26 -4.40 121.20 120.03 1upm s ILE 174 Ca 0.50 0.69 0.03 0.00 -2.23 0.00 0.00 60.65 59.64 1upm s ILE 174 Cb -0.23 -3.43 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1upm s ILE 174 CO 0.29 0.15 0.22 0.29 -1.23 0.00 0.00 174.94 174.66 1upm n LYS 175 N 0.67 0.72 -0.31 2.79 4.76 -1.26 -4.43 118.16 121.10 1upm n LYS 175 Ca 0.01 -3.58 0.00 0.00 -2.87 0.00 0.00 58.31 51.86 1upm n LYS 175 Cb 0.42 0.67 0.00 0.00 -1.84 0.00 0.00 35.03 34.28 1upm n LYS 175 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1upm n PRO 176 N -1.55 0.00 -0.14 1.97 -0.01 -1.26 -4.95 135.00 129.05 1upm n PRO 176 Ca -0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.28 1upm n PRO 176 Cb 0.64 -0.09 -0.04 0.00 -0.01 0.00 0.00 33.50 34.00 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 2.47 -0.29 -6.36 -0.52 1.57 -2.00 -3.43 116.57 108.02 1upm h LYS 177 Ca 0.00 0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.17 1upm h LYS 177 Cb 0.00 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 32.22 1upm h LYS 177 CO 0.00 -0.19 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.39 1upm s LEU 178 N -10.53 2.52 0.00 2.94 1.43 -1.26 -4.69 118.68 109.09 1upm s LEU 178 Ca -0.15 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1upm s LEU 178 Cb 0.12 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1upm s LEU 178 CO 0.66 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.92 1upm n GLY 179 N -0.25 0.99 3.83 -3.19 0.00 -1.26 -5.09 105.19 100.22 1upm n GLY 179 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 3.94 0.66 0.99 1.43 -1.26 -5.01 118.68 119.43 1upm s LEU 180 Ca 0.00 1.53 -0.09 0.00 -1.03 0.00 0.00 54.13 54.54 1upm s LEU 180 Cb 0.00 -4.38 0.02 0.00 0.03 0.00 0.00 46.19 41.86 1upm s LEU 180 CO 0.00 -0.34 1.02 -0.94 0.23 0.00 0.00 176.35 176.32 1upm s SER 181 N -2.35 5.46 0.18 2.29 1.04 -1.26 -4.45 113.70 114.61 1upm s SER 181 Ca 0.59 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.82 1upm s SER 181 Cb -0.09 -1.80 0.16 0.00 0.10 0.00 0.00 66.02 64.38 1upm s SER 181 CO 0.17 -1.26 1.75 0.00 0.98 0.00 0.00 173.24 174.88 1upm h ALA 182 N -0.47 0.58 -0.05 5.32 0.00 -1.92 0.16 119.26 122.88 1upm h ALA 182 Ca -0.45 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1upm h ALA 182 Cb 1.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1upm h ALA 182 CO 0.63 -0.22 -0.60 -0.22 0.00 0.00 0.00 179.25 178.83 1upm h LYS 183 N 0.35 0.18 -0.16 0.00 3.64 -1.94 -2.73 116.57 115.91 1upm h LYS 183 Ca 0.23 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1upm h LYS 183 Cb 0.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1upm h LYS 183 CO -0.23 0.73 -0.55 -0.91 -2.27 0.00 0.00 179.45 176.22 1upm h ASN 184 N 0.14 0.53 -0.28 4.20 -0.26 -1.80 -1.72 115.58 116.39 1upm h ASN 184 Ca -0.01 -0.28 0.06 0.00 -0.56 0.00 0.00 56.30 55.52 1upm h ASN 184 Cb 1.10 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 38.14 1upm h ASN 184 CO 0.09 0.97 -0.13 0.22 -1.06 0.00 0.00 177.43 177.52 1upm h TYR 185 N 0.37 -0.32 -0.60 1.19 3.20 -0.49 -1.69 116.97 118.63 1upm h TYR 185 Ca 0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1upm h TYR 185 Cb 1.07 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 1upm h TYR 185 CO 0.04 -0.20 0.09 0.78 -1.64 0.00 0.00 178.16 177.23 1upm h GLY 186 N -0.09 1.04 0.95 1.82 0.00 -1.38 0.41 103.07 105.82 1upm h GLY 186 Ca 0.15 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1upm h GLY 186 CO -0.34 0.62 0.35 -0.09 0.00 0.00 0.00 176.54 177.08 1upm h ARG 187 N 0.91 0.68 -0.36 4.80 2.43 -1.01 -0.25 114.38 121.58 1upm h ARG 187 Ca 0.18 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1upm h ARG 187 Cb 0.41 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1upm h ARG 187 CO 0.01 0.45 -0.07 0.00 -1.51 0.00 0.00 179.97 178.85 1upm h ALA 188 N 1.22 0.50 -0.45 2.80 0.00 -0.76 -2.69 119.26 119.88 1upm h ALA 188 Ca 0.21 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 188 Cb -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1upm h ALA 188 CO -0.07 0.33 0.14 0.28 0.00 0.00 0.00 179.25 179.94 1upm h VAL 189 N 0.49 0.83 -0.01 0.00 2.07 -0.65 -1.80 116.25 117.18 1upm h VAL 189 Ca 0.09 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1upm h VAL 189 Cb 0.57 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1upm h VAL 189 CO 0.03 0.06 0.01 0.22 0.02 0.00 0.00 177.57 177.90 1upm h TYR 190 N 0.30 0.02 -0.40 1.57 3.20 -0.89 -1.49 116.97 119.27 1upm h TYR 190 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1upm h TYR 190 Cb 0.23 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1upm h TYR 190 CO -0.17 0.08 0.03 0.93 -1.64 0.00 0.00 178.16 177.39 1upm h GLU 191 N -0.05 0.63 0.42 1.82 4.39 -1.30 -1.20 114.58 119.29 1upm h GLU 191 Ca 0.00 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1upm h GLU 191 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1upm h GLU 191 CO -0.00 0.63 -0.20 0.00 -1.16 0.00 0.00 179.01 178.28 1upm h LEU 193 N -0.68 0.50 -0.55 0.00 3.38 -0.96 -2.51 115.31 114.48 1upm h LEU 193 Ca -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1upm h LEU 193 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1upm h LEU 193 CO 0.09 0.62 0.00 0.08 0.09 0.00 0.00 178.44 179.32 1upm h ARG 194 N 0.49 0.00 -0.01 1.13 0.11 -1.28 -2.65 114.38 112.17 1upm h ARG 194 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 1upm h ARG 194 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1upm h ARG 194 CO 0.02 0.00 -0.28 0.41 0.10 0.00 0.00 179.97 180.22 1upm n GLY 195 N 0.37 -0.75 0.00 0.08 0.00 -0.95 -4.92 105.19 99.03 1upm n GLY 195 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.36 0.34 3.78 -0.02 0.00 -1.00 -2.40 105.19 107.25 1upm n GLY 196 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 4.20 0.08 0.99 1.43 -1.25 -4.84 118.68 119.29 1upm s LEU 197 Ca 0.00 2.11 0.06 0.00 -1.03 0.00 0.00 54.13 55.27 1upm s LEU 197 Cb 0.00 -4.09 -0.23 0.00 0.03 0.00 0.00 46.19 41.90 1upm s LEU 197 CO 0.00 -0.48 1.12 0.44 0.23 0.00 0.00 176.35 177.67 1upm h ASP 198 N 2.69 0.07 -4.79 2.29 3.32 -1.48 -3.43 116.42 115.08 1upm h ASP 198 Ca -0.48 -0.08 -0.25 0.00 0.02 0.00 0.00 57.03 56.24 1upm h ASP 198 Cb 1.22 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 1upm h ASP 198 CO 0.63 1.07 -0.72 -0.36 -1.72 0.00 0.00 179.24 178.13 1upm s PHE 199 N -2.68 0.63 0.00 4.55 0.08 -0.37 -2.10 117.98 118.10 1upm s PHE 199 Ca -0.01 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1upm s PHE 199 Cb 0.09 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.16 1upm s PHE 199 CO 0.83 -0.11 0.00 0.25 -0.10 0.00 0.00 175.22 176.09 1upm n THR 200 N 1.31 0.00 -2.72 0.64 -2.24 -0.95 -3.27 114.28 107.05 1upm n THR 200 Ca -0.22 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 1upm n THR 200 Cb 0.55 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 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 7.54 0.66 3.42 1.01 -0.76 -1.31 116.67 128.23 1upm s ASP 202 Ca 0.00 1.97 -0.18 0.00 0.71 0.00 0.00 52.55 55.06 1upm s ASP 202 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 1upm s ASP 202 CO 0.00 0.08 1.26 -0.62 0.21 0.00 0.00 175.17 176.10 1upm s ASP 203 N -1.22 4.61 0.51 0.27 -1.08 -1.26 -4.87 116.67 113.64 1upm s ASP 203 Ca 0.43 2.53 0.21 0.00 -0.52 0.00 0.00 52.55 55.20 1upm s ASP 203 Cb -0.25 -2.61 1.31 0.00 -1.46 0.00 0.00 42.92 39.90 1upm s ASP 203 CO 0.32 -1.99 2.04 1.05 0.52 0.00 0.00 175.17 177.10 1upm h GLU 204 N 0.43 0.06 -0.02 4.34 9.09 -1.98 -1.40 114.58 125.10 1upm h GLU 204 Ca -0.50 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1upm h GLU 204 Cb 1.32 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1upm h GLU 204 CO 0.53 0.04 -0.34 0.27 0.05 0.00 0.00 179.01 179.55 1upm n ASN 205 N -4.44 2.03 -4.56 3.06 6.94 -1.26 -4.80 115.26 112.23 1upm n ASN 205 Ca 0.06 -1.51 -0.40 0.00 -0.02 0.00 0.00 54.58 52.72 1upm n ASN 205 Cb 0.43 0.33 -0.03 0.00 -2.36 0.00 0.00 39.78 38.15 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 -2.38 3.52 0.00 3.53 1.01 -0.53 -4.83 120.40 120.71 1upm s VAL 206 Ca 0.22 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1upm s VAL 206 Cb 0.19 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1upm s VAL 206 CO 0.51 -1.05 0.00 0.59 0.00 0.00 0.00 175.10 175.15 1upm n ASN 207 N 11.31 0.00 -3.76 3.32 5.03 -1.26 -4.77 115.26 125.13 1upm n ASN 207 Ca 0.16 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.45 1upm n ASN 207 Cb 0.50 0.00 -0.16 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 0.97 0.28 0.25 6.41 0.15 -1.26 -4.17 113.70 116.32 1upm s SER 208 Ca 0.00 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.62 1upm s SER 208 Cb 0.00 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1upm s SER 208 CO 0.00 -0.14 0.36 -1.10 1.20 0.00 0.00 173.24 173.55 1upm s GLN 209 N 1.24 1.48 0.42 5.44 1.11 -0.65 -4.92 119.66 123.78 1upm s GLN 209 Ca -0.07 -1.46 0.17 0.00 0.01 0.00 0.00 55.36 54.01 1upm s GLN 209 Cb -0.13 0.40 1.08 0.00 -1.01 0.00 0.00 33.01 33.35 1upm s GLN 209 CO -0.03 -0.58 1.88 -1.35 0.01 0.00 0.00 175.29 175.22 1upm h PRO 210 N 2.36 0.39 0.00 2.91 0.11 -2.01 -0.62 132.00 135.13 1upm h PRO 210 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1upm h PRO 210 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1upm h PRO 210 CO 0.42 0.26 -0.09 0.27 -0.21 0.00 0.00 178.00 178.64 1upm h PHE 211 N 0.40 0.00 -0.84 0.65 -5.15 -1.95 -3.44 116.94 106.60 1upm h PHE 211 Ca 0.44 0.00 0.14 0.00 -0.20 0.00 0.00 57.97 58.35 1upm h PHE 211 Cb 1.09 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 37.05 1upm h PHE 211 CO -0.00 0.00 -0.12 1.41 -2.00 0.00 0.00 178.31 177.59 1upm s MET 212 N -3.20 0.45 0.33 6.09 0.00 -0.24 -4.29 119.30 118.43 1upm s MET 212 Ca 0.07 0.82 -0.15 0.00 0.00 0.00 0.00 55.69 56.43 1upm s MET 212 Cb 0.07 0.46 -0.09 0.00 0.00 0.00 0.00 34.83 35.27 1upm s MET 212 CO 0.66 -0.46 0.74 1.03 0.00 0.00 0.00 175.02 177.00 1upm s ARG 213 N 2.88 3.99 0.26 4.11 1.81 -1.23 -1.64 118.95 129.13 1upm s ARG 213 Ca 0.12 0.66 -0.05 0.00 -1.72 0.00 0.00 55.73 54.74 1upm s ARG 213 Cb -0.13 -2.43 0.29 0.00 -0.45 0.00 0.00 34.95 32.23 1upm s ARG 213 CO -0.18 0.15 1.94 0.11 -0.68 0.00 0.00 175.30 176.63 1upm h TRP 214 N 2.21 1.23 -0.04 -0.53 5.08 -1.91 -2.92 115.95 119.07 1upm h TRP 214 Ca -0.48 0.03 -0.23 0.00 1.08 0.00 0.00 58.89 59.29 1upm h TRP 214 Cb 1.17 -0.42 0.01 0.00 -3.00 0.00 0.00 29.16 26.93 1upm h TRP 214 CO 0.62 0.78 -0.92 -0.09 -1.28 0.00 0.00 178.44 177.54 1upm h ARG 215 N 1.33 0.59 -0.90 0.12 2.43 -1.94 0.35 114.38 116.36 1upm h ARG 215 Ca 0.36 -0.58 0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1upm h ARG 215 Cb -0.15 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.46 1upm h ARG 215 CO -0.08 1.20 0.53 -0.44 -1.51 0.00 0.00 179.97 179.67 1upm h ASP 216 N 0.36 0.73 -0.18 -3.80 3.32 -1.97 -2.69 116.42 112.19 1upm h ASP 216 Ca -0.09 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1upm h ASP 216 Cb 1.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1upm h ASP 216 CO 0.17 0.37 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.64 1upm h ARG 217 N 0.81 0.53 -0.98 3.56 2.43 -0.95 -2.42 114.38 117.36 1upm h ARG 217 Ca 0.46 -0.34 0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1upm h ARG 217 Cb 0.53 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 1upm h ARG 217 CO -0.30 0.94 0.61 0.74 -1.51 0.00 0.00 179.97 180.46 1upm h PHE 218 N 0.18 1.12 -0.01 2.20 -1.00 -0.84 0.76 116.94 119.35 1upm h PHE 218 Ca 0.01 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.66 1upm h PHE 218 Cb 0.91 -0.36 0.01 0.00 3.61 0.00 0.00 35.95 40.13 1upm h PHE 218 CO 0.09 0.47 -0.61 1.25 -1.61 0.00 0.00 178.31 177.91 1upm h LEU 219 N 1.01 0.55 -0.83 1.54 5.85 -1.35 -0.69 115.31 121.38 1upm h LEU 219 Ca 0.47 -0.75 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 1upm h LEU 219 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1upm h LEU 219 CO -0.24 1.23 -0.39 -0.26 -0.34 0.00 0.00 178.44 178.44 1upm h PHE 220 N -0.07 0.47 -0.19 1.25 0.04 -1.12 -2.47 116.94 114.84 1upm h PHE 220 Ca -0.07 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.45 1upm h PHE 220 Cb 1.32 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1upm h PHE 220 CO 0.14 0.73 -0.40 0.00 -0.60 0.00 0.00 178.31 178.19 1upm h ALA 222 N 1.22 0.30 -0.31 0.00 0.00 -1.07 0.49 119.26 119.88 1upm h ALA 222 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1upm h ALA 222 Cb 0.86 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1upm h ALA 222 CO 0.07 -0.18 0.06 1.49 0.00 0.00 0.00 179.25 180.69 1upm h GLU 223 N 0.27 0.17 -0.06 0.00 4.81 -1.22 -2.09 114.58 116.46 1upm h GLU 223 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1upm h GLU 223 Cb 0.05 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1upm h GLU 223 CO -0.01 0.11 0.03 0.00 -0.73 0.00 0.00 179.01 178.41 1upm h ALA 224 N 1.23 0.07 -0.55 2.92 0.00 -1.27 -2.03 119.26 119.63 1upm h ALA 224 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 224 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1upm h ALA 224 CO -0.19 -0.40 0.18 1.37 0.00 0.00 0.00 179.25 180.22 1upm h LEU 225 N 0.01 0.75 -0.78 0.00 8.10 -0.75 -1.70 115.31 120.94 1upm h LEU 225 Ca 0.02 -0.11 -0.13 0.00 0.11 0.00 0.00 57.88 57.77 1upm h LEU 225 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1upm h LEU 225 CO -0.00 0.70 -0.49 1.88 -4.11 0.00 0.00 178.44 176.42 1upm h TYR 226 N 0.80 0.36 -0.55 0.17 0.05 -1.31 -0.49 116.97 115.99 1upm h TYR 226 Ca 0.18 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 1upm h TYR 226 Cb 0.22 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1upm h TYR 226 CO 0.01 0.73 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.62 1upm h LYS 227 N 0.24 0.97 -0.18 4.88 3.64 -0.58 -2.34 116.57 123.20 1upm h LYS 227 Ca 0.01 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1upm h LYS 227 Cb 0.95 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1upm h LYS 227 CO 0.08 0.96 -0.55 0.00 -2.27 0.00 0.00 179.45 177.67 1upm h ALA 228 N 1.09 0.31 -0.75 5.00 0.00 -1.07 -2.57 119.26 121.28 1upm h ALA 228 Ca 0.16 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 54.69 1upm h ALA 228 Cb 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1upm h ALA 228 CO 0.03 0.52 0.31 0.37 0.00 0.00 0.00 179.25 180.48 1upm h GLN 229 N 0.38 0.46 -0.02 0.00 4.15 -1.06 -1.66 115.11 117.35 1upm h GLN 229 Ca -0.02 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.19 1upm h GLN 229 Cb 1.17 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1upm h GLN 229 CO 0.12 0.30 -0.81 0.00 -1.93 0.00 0.00 178.83 176.51 1upm h ALA 230 N 1.53 0.57 -0.58 3.38 0.00 -1.35 -0.19 119.26 122.62 1upm h ALA 230 Ca 0.40 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1upm h ALA 230 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1upm h ALA 230 CO -0.38 0.84 -0.00 1.49 0.00 0.00 0.00 179.25 181.20 1upm h GLU 231 N 0.16 1.02 0.00 0.00 4.81 -1.15 -3.35 114.58 116.08 1upm h GLU 231 Ca -0.04 -0.33 -0.25 0.00 -0.13 0.00 0.00 59.36 58.61 1upm h GLU 231 Cb 1.41 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1upm h GLU 231 CO 0.13 1.02 -1.97 0.25 -0.73 0.00 0.00 179.01 177.71 1upm n THR 232 N -4.22 1.19 -0.90 0.32 -2.24 -0.65 -4.99 114.28 102.79 1upm n THR 232 Ca 0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1upm n THR 232 Cb 0.34 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1upm n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upm n GLY 233 N 1.56 0.49 3.30 3.38 0.00 -0.09 -5.06 105.19 108.77 1upm n GLY 233 Ca -0.20 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.11 1.34 0.29 1.61 2.02 -1.24 -5.07 118.70 116.55 1upm s GLU 234 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.58 1upm s GLU 234 Cb 0.00 -1.60 -0.10 0.00 0.10 0.00 0.00 34.13 32.54 1upm s GLU 234 CO 0.00 0.39 1.24 0.42 0.02 0.00 0.00 175.26 177.33 1upm s ILE 235 N -0.98 3.06 0.18 -1.63 1.01 -1.26 -4.50 121.20 117.08 1upm s ILE 235 Ca 0.09 1.03 0.10 0.00 0.00 0.00 0.00 60.65 61.87 1upm s ILE 235 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1upm s ILE 235 CO 0.04 0.23 -0.22 -0.54 0.00 0.00 0.00 174.94 174.44 1upm s LYS 236 N -1.35 1.43 0.03 2.79 -0.14 -1.26 -4.89 119.74 116.35 1upm s LYS 236 Ca 0.49 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.62 1upm s LYS 236 Cb -0.37 -1.67 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1upm s LYS 236 CO 0.46 0.35 -0.05 0.20 -0.76 0.00 0.00 175.35 175.56 1upm s GLY 237 N -2.68 0.35 -0.10 -3.33 0.00 -0.89 -4.79 107.32 95.88 1upm s GLY 237 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1upm s GLY 237 CO 0.09 -0.74 -0.08 -1.58 0.00 0.00 0.00 173.10 170.79 1upm s HIS 238 N -1.49 1.40 -0.50 1.90 2.46 -1.26 -2.24 115.29 115.56 1upm s HIS 238 Ca -0.13 -0.65 -0.28 0.00 0.47 0.00 0.00 55.06 54.47 1upm s HIS 238 Cb -0.10 -1.16 0.00 0.00 -0.13 0.00 0.00 32.58 31.20 1upm s HIS 238 CO -0.01 -0.45 1.55 0.71 -2.47 0.00 0.00 174.74 174.07 1upm s TYR 239 N 1.52 2.12 -0.06 3.88 2.02 -0.42 -4.71 117.35 121.71 1upm s TYR 239 Ca 0.01 0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 57.04 1upm s TYR 239 Cb -0.13 -4.28 -0.03 0.00 -0.40 0.00 0.00 41.96 37.11 1upm s TYR 239 CO -0.06 -2.20 0.81 -0.51 -1.57 0.00 0.00 175.55 172.02 1upm s LEU 240 N 6.56 4.32 -0.06 -1.29 1.43 -1.22 -1.84 118.68 126.58 1upm s LEU 240 Ca 0.61 1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 54.82 1upm s LEU 240 Cb -0.14 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1upm s LEU 240 CO 0.27 -0.20 0.69 0.21 0.23 0.00 0.00 176.35 177.56 1upm s ASN 241 N 0.91 6.99 0.00 2.29 3.04 -1.26 -1.18 114.94 125.73 1upm s ASN 241 Ca 0.42 1.19 0.19 0.00 0.04 0.00 0.00 52.86 54.70 1upm s ASN 241 Cb -0.19 -2.41 0.10 0.00 -1.54 0.00 0.00 41.25 37.21 1upm s ASN 241 CO 0.21 -0.10 1.04 0.00 -3.04 0.00 0.00 177.10 175.21 1upm n ALA 242 N 3.70 2.76 -1.75 1.71 0.00 -0.64 -4.92 120.51 121.36 1upm n ALA 242 Ca -0.02 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 1upm n ALA 242 Cb 0.51 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 0.67 1.51 -3.83 0.00 -1.04 -1.26 -4.30 114.28 106.03 1upm n THR 243 Ca 0.10 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.05 61.66 1upm n THR 243 Cb 0.44 -1.93 0.02 0.00 -1.82 0.00 0.00 70.33 67.04 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm s ALA 244 N -0.56 -1.06 -0.02 2.41 0.00 -1.26 -4.82 121.76 116.44 1upm s ALA 244 Ca 0.59 -0.56 0.18 0.00 0.00 0.00 0.00 51.96 52.17 1upm s ALA 244 Cb -0.50 0.71 0.39 0.00 0.00 0.00 0.00 23.12 23.73 1upm s ALA 244 CO 0.56 -1.02 1.60 0.78 0.00 0.00 0.00 175.76 177.68 1upm h GLY 245 N 2.00 0.00 -3.20 0.00 0.00 -1.95 -3.46 103.07 96.46 1upm h GLY 245 Ca -0.30 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1upm h GLY 245 CO 0.37 0.00 -0.68 -0.51 0.00 0.00 0.00 176.54 175.72 1upm s THR 246 N -3.26 0.29 0.28 4.70 -4.23 -1.26 -5.05 115.64 107.11 1upm s THR 246 Ca 0.02 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1upm s THR 246 Cb 0.09 -1.56 0.24 0.00 1.34 0.00 0.00 72.50 72.61 1upm s THR 246 CO 0.71 -0.97 1.93 0.00 -0.54 0.00 0.00 174.62 175.75 1upm h GLU 248 N 1.15 0.38 -0.60 0.00 3.07 -1.99 0.21 114.58 116.80 1upm h GLU 248 Ca 0.30 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1upm h GLU 248 Cb -0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 1upm h GLU 248 CO -0.06 0.25 0.24 -0.44 -1.40 0.00 0.00 179.01 177.61 1upm h ASP 249 N 0.39 0.83 -0.40 1.42 5.19 -1.93 -0.71 116.42 121.21 1upm h ASP 249 Ca 0.16 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1upm h ASP 249 Cb 0.06 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1upm h ASP 249 CO -0.10 0.77 0.25 -0.03 -3.12 0.00 0.00 179.24 177.01 1upm h MET 250 N 0.84 0.55 -0.78 3.56 4.05 -0.97 -2.88 114.93 119.29 1upm h MET 250 Ca 0.20 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1upm h MET 250 Cb 0.20 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1upm h MET 250 CO -0.02 0.40 0.37 0.52 0.23 0.00 0.00 176.91 178.42 1upm h MET 251 N 0.53 1.13 -0.35 0.39 2.86 -0.34 -2.43 114.93 116.72 1upm h MET 251 Ca 0.15 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1upm h MET 251 Cb -0.01 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 1upm h MET 251 CO -0.03 0.87 0.22 0.87 1.06 0.00 0.00 176.91 179.90 1upm h LYS 252 N 1.12 0.46 0.06 1.72 1.57 -0.94 -0.93 116.57 119.62 1upm h LYS 252 Ca 0.27 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.75 1upm h LYS 252 Cb 0.12 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.34 1upm h LYS 252 CO -0.03 0.31 -1.11 0.00 -0.57 0.00 0.00 179.45 178.04 1upm h ARG 253 N 0.47 0.54 -0.62 3.15 3.08 -1.25 -2.74 114.38 117.01 1upm h ARG 253 Ca 0.13 -0.66 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 1upm h ARG 253 Cb -0.05 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1upm h ARG 253 CO -0.03 1.27 0.23 0.00 -1.07 0.00 0.00 179.97 180.37 1upm h ALA 254 N 0.49 0.81 -0.48 0.04 0.00 -1.19 -2.24 119.26 116.69 1upm h ALA 254 Ca -0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1upm h ALA 254 Cb 1.77 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1upm h ALA 254 CO 0.20 0.44 0.14 0.28 0.00 0.00 0.00 179.25 180.32 1upm h VAL 255 N 0.87 0.79 -0.10 0.00 2.07 -1.20 -1.03 116.25 117.66 1upm h VAL 255 Ca 0.21 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 1upm h VAL 255 Cb 0.23 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1upm h VAL 255 CO -0.01 0.05 -0.51 0.15 0.02 0.00 0.00 177.57 177.27 1upm h PHE 256 N 0.30 0.31 -0.52 1.57 3.57 -1.27 -1.93 116.94 118.98 1upm h PHE 256 Ca 0.24 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1upm h PHE 256 Cb 0.28 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1upm h PHE 256 CO -0.19 0.71 0.33 0.00 -2.23 0.00 0.00 178.31 176.94 1upm h ALA 257 N 1.27 0.66 -0.32 2.41 0.00 -1.04 -1.00 119.26 121.24 1upm h ALA 257 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 257 Cb 0.97 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1upm h ALA 257 CO 0.08 0.12 -0.15 -0.09 0.00 0.00 0.00 179.25 179.21 1upm h ARG 258 N 0.70 -0.09 -0.96 0.00 1.12 -0.93 -2.02 114.38 112.19 1upm h ARG 258 Ca 0.19 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.17 1upm h ARG 258 Cb -0.05 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 29.85 1upm h ARG 258 CO -0.04 -0.06 0.60 1.49 -3.11 0.00 0.00 179.97 178.85 1upm h GLU 259 N -0.10 0.95 0.00 0.20 4.81 -0.85 0.15 114.58 119.74 1upm h GLU 259 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1upm h GLU 259 Cb 0.35 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1upm h GLU 259 CO -0.39 0.63 0.00 -0.07 -0.73 0.00 0.00 179.01 178.45 1upm h LEU 260 N 0.98 0.00 0.00 1.64 3.38 -0.78 -3.47 115.31 117.06 1upm h LEU 260 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1upm h LEU 260 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1upm h LEU 260 CO -0.25 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1upm n GLY 261 N 0.38 0.44 3.89 0.83 0.00 0.51 -5.03 105.19 106.21 1upm n GLY 261 Ca 0.03 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 4.20 -0.37 1.61 -7.23 -1.22 -5.03 120.40 110.36 1upm s VAL 262 Ca 0.00 0.48 0.23 0.00 -1.81 0.00 0.00 61.98 60.87 1upm s VAL 262 Cb 0.00 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.28 1upm s VAL 262 CO 0.00 -0.82 1.14 1.55 -0.31 0.00 0.00 175.10 176.66 1upm h PRO 263 N -0.29 0.00 -2.59 4.82 0.13 -1.92 -3.46 132.00 128.69 1upm h PRO 263 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1upm h PRO 263 Cb 1.22 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 1upm h PRO 263 CO 0.62 0.00 -0.18 -1.50 -0.23 0.00 0.00 178.00 176.72 1upm s ILE 264 N -3.30 -0.00 0.50 -3.56 2.07 -1.26 -1.11 121.20 114.53 1upm s ILE 264 Ca 0.02 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.28 1upm s ILE 264 Cb 0.11 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 1upm s ILE 264 CO 0.77 0.00 0.03 0.68 -1.91 0.00 0.00 174.94 174.51 1upm s VAL 265 N 0.39 1.02 0.06 4.00 -7.23 -0.52 -3.38 120.40 114.73 1upm s VAL 265 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1upm s VAL 265 Cb -0.04 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1upm s VAL 265 CO -0.01 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.73 1upm s MET 266 N -3.85 0.60 -0.04 4.82 0.23 -0.33 -1.22 119.30 119.50 1upm s MET 266 Ca 0.08 -1.07 -0.05 0.00 -1.03 0.00 0.00 55.69 53.62 1upm s MET 266 Cb 0.01 0.01 0.01 0.00 -1.53 0.00 0.00 34.83 33.34 1upm s MET 266 CO 0.04 -0.05 0.13 -1.58 -2.03 0.00 0.00 175.02 171.53 1upm s HIS 267 N -3.01 -0.12 -0.83 3.16 5.04 -0.65 -1.62 115.29 117.26 1upm s HIS 267 Ca 0.01 0.29 -0.20 0.00 -1.54 0.00 0.00 55.06 53.62 1upm s HIS 267 Cb 0.01 0.03 0.11 0.00 0.04 0.00 0.00 32.58 32.78 1upm s HIS 267 CO -0.05 -0.10 1.04 -0.51 -2.34 0.00 0.00 174.74 172.78 1upm s ASP 268 N -0.13 6.47 0.40 9.88 1.01 -1.26 -1.75 116.67 131.29 1upm s ASP 268 Ca -0.02 -1.72 0.16 0.00 0.71 0.00 0.00 52.55 51.68 1upm s ASP 268 Cb -0.02 -2.39 0.84 0.00 1.01 0.00 0.00 42.92 42.36 1upm s ASP 268 CO 0.00 -1.16 1.85 0.10 0.21 0.00 0.00 175.17 176.17 1upm h TYR 269 N 9.05 0.00 0.16 4.23 -0.00 -1.88 0.15 116.97 128.68 1upm h TYR 269 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.38 1upm h TYR 269 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.77 1upm h TYR 269 CO 1.08 0.33 -1.80 -0.07 -0.00 0.00 0.00 178.16 177.71 1upm h LEU 270 N 0.00 0.52 0.02 0.10 3.38 -1.81 -0.37 115.31 117.15 1upm h LEU 270 Ca -0.00 -0.87 -0.26 0.00 0.09 0.00 0.00 57.88 56.83 1upm h LEU 270 Cb 0.65 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.25 1upm h LEU 270 CO 0.04 1.75 -1.04 0.71 0.09 0.00 0.00 178.44 179.98 1upm h THR 271 N 0.09 1.29 -0.18 0.22 1.35 -1.69 -3.22 112.91 110.76 1upm h THR 271 Ca -0.35 -2.26 -0.02 0.00 -0.55 0.00 0.00 66.41 63.22 1upm h THR 271 Cb 2.07 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 70.93 1upm h THR 271 CO 0.15 0.70 0.04 1.23 -0.25 0.00 0.00 175.52 177.39 1upm h GLY 272 N 0.34 0.31 0.00 5.82 0.00 -0.88 -3.50 103.07 105.16 1upm h GLY 272 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1upm h GLY 272 CO 0.20 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1upm n GLY 273 N -0.51 2.22 0.15 4.60 0.00 -0.15 -4.66 105.19 106.84 1upm n GLY 273 Ca -0.04 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 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 0.72 -0.10 1.61 0.04 -1.89 0.12 116.94 117.43 1upm h PHE 274 Ca 0.00 -0.42 0.04 0.00 2.80 0.00 0.00 57.97 60.39 1upm h PHE 274 Cb 0.00 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 1upm h PHE 274 CO 0.00 1.26 -0.37 1.15 -0.60 0.00 0.00 178.31 179.75 1upm h THR 275 N -0.03 0.22 -0.71 -1.55 2.02 -1.94 -0.88 112.91 110.04 1upm h THR 275 Ca -0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1upm h THR 275 Cb 1.52 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1upm h THR 275 CO 0.15 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.36 1upm h ALA 276 N 0.23 1.22 -0.49 6.16 0.00 -1.82 -2.83 119.26 121.73 1upm h ALA 276 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1upm h ALA 276 Cb 0.59 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1upm h ALA 276 CO -0.36 0.58 -0.13 -0.97 0.00 0.00 0.00 179.25 178.38 1upm h ASN 277 N 1.01 0.93 -0.40 0.00 -0.73 -0.65 -2.52 115.58 113.22 1upm h ASN 277 Ca 0.24 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 58.08 1upm h ASN 277 Cb 0.14 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1upm h ASN 277 CO -0.03 1.06 0.15 0.74 -0.37 0.00 0.00 177.43 178.98 1upm h THR 278 N 0.82 1.20 -0.59 -3.57 2.02 -1.09 -0.55 112.91 111.16 1upm h THR 278 Ca 0.13 -0.64 0.12 0.00 0.77 0.00 0.00 66.41 66.79 1upm h THR 278 Cb 0.67 0.87 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 1upm h THR 278 CO 0.05 0.23 -0.10 0.74 0.37 0.00 0.00 175.52 176.81 1upm h THR 279 N 0.50 0.44 -0.01 3.16 2.02 -1.45 -0.97 112.91 116.61 1upm h THR 279 Ca 0.13 -0.01 -0.20 0.00 0.77 0.00 0.00 66.41 67.10 1upm h THR 279 Cb 0.21 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1upm h THR 279 CO -0.01 0.01 -0.85 0.25 0.37 0.00 0.00 175.52 175.29 1upm h LEU 280 N 0.04 0.32 -0.43 2.58 5.85 -1.09 -2.28 115.31 120.30 1upm h LEU 280 Ca 0.29 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1upm h LEU 280 Cb 0.46 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1upm h LEU 280 CO -0.57 1.03 0.18 -1.28 -0.34 0.00 0.00 178.44 177.45 1upm h SER 281 N 0.15 0.22 -0.40 1.25 0.87 -0.58 0.54 113.55 115.59 1upm h SER 281 Ca -0.05 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1upm h SER 281 Cb 1.46 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 1upm h SER 281 CO 0.13 0.16 0.04 0.45 -0.53 0.00 0.00 176.83 177.08 1upm h HIS 282 N 0.36 0.81 -0.46 2.24 3.86 -0.98 -2.01 115.15 118.98 1upm h HIS 282 Ca 0.19 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1upm h HIS 282 Cb 0.16 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1upm h HIS 282 CO -0.13 0.73 -0.02 -0.92 0.86 0.00 0.00 177.93 178.45 1upm h TYR 283 N 0.73 0.90 -0.25 2.45 3.20 -1.21 -1.66 116.97 121.13 1upm h TYR 283 Ca 0.15 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 1upm h TYR 283 Cb 0.39 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1upm h TYR 283 CO 0.02 0.87 -0.44 0.00 -1.64 0.00 0.00 178.16 176.96 1upm h ARG 285 N 0.51 0.27 0.00 0.00 9.65 -1.30 -1.53 114.38 121.98 1upm h ARG 285 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1upm h ARG 285 Cb 0.98 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1upm h ARG 285 CO 0.09 0.18 0.00 -0.25 2.80 0.00 0.00 179.97 182.79 1upm n ASP 286 N -4.99 0.62 0.00 -3.80 8.00 -0.63 -3.36 116.55 112.38 1upm n ASP 286 Ca -0.00 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1upm n ASP 286 Cb 0.10 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1upm n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1upm n ASN 287 N -2.24 1.03 -0.57 -2.24 3.02 -0.86 -5.02 115.26 108.39 1upm n ASN 287 Ca 0.01 -1.47 -0.07 0.00 -0.03 0.00 0.00 54.58 53.01 1upm n ASN 287 Cb 0.15 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.24 0.79 3.76 7.41 0.00 -0.65 -5.01 105.19 111.26 1upm n GLY 288 Ca 0.00 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.63 4.31 0.39 0.99 1.43 -0.77 -4.96 118.68 118.44 1upm s LEU 289 Ca 0.00 0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 53.51 1upm s LEU 289 Cb 0.00 -2.47 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 1upm s LEU 289 CO 0.00 0.15 1.26 -0.76 0.23 0.00 0.00 176.35 177.23 1upm s LEU 290 N 0.05 4.26 -0.38 1.79 1.43 -0.27 -4.59 118.68 120.97 1upm s LEU 290 Ca 0.20 2.57 0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1upm s LEU 290 Cb -0.14 -3.88 0.11 0.00 0.03 0.00 0.00 46.19 42.31 1upm s LEU 290 CO 0.07 -0.73 0.13 -0.22 0.23 0.00 0.00 176.35 175.84 1upm s LEU 291 N -2.30 4.97 -0.04 1.79 2.96 -1.26 -1.43 118.68 123.36 1upm s LEU 291 Ca 0.55 -2.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.00 1upm s LEU 291 Cb -0.36 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1upm s LEU 291 CO 0.47 -0.44 1.15 -2.28 -1.32 0.00 0.00 176.35 173.93 1upm s HIS 292 N 0.93 3.30 -0.20 5.38 5.65 -0.36 -0.35 115.29 129.64 1upm s HIS 292 Ca 0.10 1.32 -0.05 0.00 0.25 0.00 0.00 55.06 56.68 1upm s HIS 292 Cb -0.21 -3.36 -0.02 0.00 -1.18 0.00 0.00 32.58 27.80 1upm s HIS 292 CO -0.06 -1.05 -0.00 0.42 -0.65 0.00 0.00 174.74 173.40 1upm s ILE 293 N 1.95 3.95 -0.13 0.89 -1.09 -0.65 -1.64 121.20 124.47 1upm s ILE 293 Ca 0.55 -0.32 -0.09 0.00 -2.23 0.00 0.00 60.65 58.57 1upm s ILE 293 Cb -0.24 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1upm s ILE 293 CO 0.23 0.43 0.16 -2.28 -1.23 0.00 0.00 174.94 172.25 1upm s HIS 294 N 0.96 3.55 -0.32 3.97 5.65 -0.72 -2.96 115.29 125.43 1upm s HIS 294 Ca 0.01 0.51 0.10 0.00 0.25 0.00 0.00 55.06 55.93 1upm s HIS 294 Cb -0.14 -2.04 0.71 0.00 -1.18 0.00 0.00 32.58 29.93 1upm s HIS 294 CO 0.02 0.59 1.77 2.89 -0.65 0.00 0.00 174.74 179.36 1upm n ARG 295 N 2.44 3.42 -1.36 2.88 1.85 -1.26 -3.01 116.66 121.61 1upm n ARG 295 Ca -0.18 -3.08 -0.51 0.00 -1.00 0.00 0.00 57.85 53.07 1upm n ARG 295 Cb 0.54 -2.16 -0.06 0.00 -1.05 0.00 0.00 32.46 29.73 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 -0.34 -3.20 0.00 2.89 0.00 -1.26 -1.24 120.51 117.36 1upm n ALA 296 Ca 0.41 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.35 1upm n ALA 296 Cb 1.35 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 1.23 0.00 -0.30 0.00 0.00 -1.26 -4.23 117.12 112.56 1upm n MET 297 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.91 1upm n MET 297 Cb 0.13 -0.56 0.18 0.00 0.00 0.00 0.00 33.22 32.97 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 0.90 0.00 1.12 -0.00 -1.60 -2.23 115.15 113.35 1upm h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1upm h HIS 298 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 1upm h HIS 298 CO 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 177.93 178.30 1upm h ALA 299 N 1.47 1.00 -0.67 6.11 0.00 -1.92 0.33 119.26 125.58 1upm h ALA 299 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1upm h ALA 299 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1upm h ALA 299 CO -0.25 0.00 0.44 0.28 0.00 0.00 0.00 179.25 179.72 1upm h VAL 300 N 0.00 1.04 0.04 0.00 2.07 -1.82 -2.90 116.25 114.69 1upm h VAL 300 Ca 0.00 -0.25 -0.37 0.00 0.82 0.00 0.00 66.70 66.90 1upm h VAL 300 Cb 0.38 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1upm h VAL 300 CO 0.00 0.13 -2.26 -0.38 0.02 0.00 0.00 177.57 175.08 1upm n ILE 301 N -4.47 1.59 0.02 4.57 5.41 1.00 -4.72 119.36 122.76 1upm n ILE 301 Ca 0.09 -0.64 0.06 0.00 1.00 0.00 0.00 62.75 63.26 1upm n ILE 301 Cb 0.20 -1.43 0.12 0.00 -0.71 0.00 0.00 39.64 37.81 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 -3.28 2.61 -0.04 4.38 5.68 -0.15 -2.40 116.55 123.35 1upm n ASP 302 Ca -0.38 -1.83 -0.13 0.00 -0.50 0.00 0.00 54.79 51.94 1upm n ASP 302 Cb 1.03 -0.16 -0.11 0.00 -1.14 0.00 0.00 41.12 40.74 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 2.05 -0.02 -6.58 0.11 9.65 -1.76 -3.42 114.38 114.42 1upm h ARG 303 Ca 0.00 0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.36 1upm h ARG 303 Cb 0.65 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 1upm h ARG 303 CO 0.00 0.73 0.14 -0.65 2.80 0.00 0.00 179.97 183.00 1upm s GLN 304 N -2.98 4.36 0.27 0.20 -1.52 -1.26 -4.38 119.66 114.35 1upm s GLN 304 Ca -0.17 0.98 0.10 0.00 -1.95 0.00 0.00 55.36 54.33 1upm s GLN 304 Cb -0.01 -2.98 0.35 0.00 -0.22 0.00 0.00 33.01 30.15 1upm s GLN 304 CO 0.65 0.44 1.61 -0.22 -0.25 0.00 0.00 175.29 177.51 1upm h LYS 305 N 3.66 0.01 0.00 2.91 3.64 -1.90 -3.29 116.57 121.60 1upm h LYS 305 Ca -0.48 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1upm h LYS 305 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1upm h LYS 305 CO 0.65 0.63 -0.40 -2.95 -2.27 0.00 0.00 179.45 175.11 1upm h ASN 306 N 0.00 0.00 -3.31 4.20 -1.07 -1.94 -3.46 115.58 110.01 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 1.10 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.11 1upm h ASN 306 CO 0.08 0.30 -0.18 -2.28 0.07 0.00 0.00 177.43 175.42 1upm s HIS 307 N -3.07 -0.71 -0.35 4.14 5.04 -1.24 -3.22 115.29 115.89 1upm s HIS 307 Ca 0.04 1.51 0.00 0.00 -1.54 0.00 0.00 55.06 55.08 1upm s HIS 307 Cb 0.07 0.34 0.00 0.00 0.04 0.00 0.00 32.58 33.03 1upm s HIS 307 CO 0.72 -0.37 0.00 0.41 -2.34 0.00 0.00 174.74 173.16 1upm n GLY 308 N 3.99 0.22 2.85 1.59 0.00 -0.31 -4.48 105.19 109.04 1upm n GLY 308 Ca -0.21 -1.70 -0.14 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 -0.72 0.01 0.67 1.61 -1.94 -1.01 -0.86 119.30 117.07 1upm s MET 309 Ca 0.00 0.17 -0.14 0.00 -1.71 0.00 0.00 55.69 54.01 1upm s MET 309 Cb 0.00 -0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.71 1upm s MET 309 CO 0.00 -0.11 1.10 -1.58 -0.01 0.00 0.00 175.02 174.42 1upm s HIS 310 N 0.69 2.68 0.46 -0.03 2.46 -0.26 -3.69 115.29 117.60 1upm s HIS 310 Ca -0.06 1.54 0.12 0.00 0.47 0.00 0.00 55.06 57.14 1upm s HIS 310 Cb -0.08 -3.12 1.03 0.00 -0.13 0.00 0.00 32.58 30.29 1upm s HIS 310 CO -0.02 -1.62 2.06 0.35 -2.47 0.00 0.00 174.74 173.04 1upm h PHE 311 N -0.15 0.20 -0.99 3.88 3.57 -1.92 -2.17 116.94 119.36 1upm h PHE 311 Ca -0.46 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.08 1upm h PHE 311 Cb 1.24 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 1upm h PHE 311 CO 0.56 0.18 0.65 0.07 -2.23 0.00 0.00 178.31 177.54 1upm h ARG 312 N 0.20 1.19 -0.48 1.11 0.11 -1.92 0.11 114.38 114.72 1upm h ARG 312 Ca 0.05 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1upm h ARG 312 Cb 0.08 -0.27 -0.02 0.00 1.11 0.00 0.00 29.97 30.87 1upm h ARG 312 CO -0.00 0.79 0.31 0.28 0.10 0.00 0.00 179.97 181.44 1upm h VAL 313 N 1.23 1.13 0.00 0.08 2.07 -1.63 -1.76 116.25 117.37 1upm h VAL 313 Ca 0.40 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 1upm h VAL 313 Cb 0.05 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1upm h VAL 313 CO -0.13 0.13 -0.27 -0.07 0.02 0.00 0.00 177.57 177.25 1upm h LEU 314 N 0.64 0.00 -0.01 2.57 3.38 -1.27 -1.95 115.31 118.68 1upm h LEU 314 Ca 0.17 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 1upm h LEU 314 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1upm h LEU 314 CO -0.04 0.27 -1.11 0.00 0.09 0.00 0.00 178.44 177.65 1upm h ALA 315 N 1.73 0.22 -0.58 1.53 0.00 -0.75 -2.63 119.26 118.79 1upm h ALA 315 Ca -0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1upm h ALA 315 Cb 0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1upm h ALA 315 CO 0.03 0.92 -0.00 0.87 0.00 0.00 0.00 179.25 181.07 1upm h LYS 316 N 0.13 1.04 -0.64 0.00 1.57 -0.88 -2.07 116.57 115.72 1upm h LYS 316 Ca -0.11 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1upm h LYS 316 Cb 1.80 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.99 1upm h LYS 316 CO 0.18 1.02 0.30 0.00 -0.57 0.00 0.00 179.45 180.38 1upm h ALA 317 N 0.97 0.83 -0.40 3.86 0.00 -1.40 -2.15 119.26 120.97 1upm h ALA 317 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 317 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1upm h ALA 317 CO 0.03 0.40 0.20 1.25 0.00 0.00 0.00 179.25 181.14 1upm h LEU 318 N 0.88 0.51 -1.03 0.00 7.12 -1.35 -1.15 115.31 120.29 1upm h LEU 318 Ca 0.22 -0.11 0.11 0.00 0.13 0.00 0.00 57.88 58.22 1upm h LEU 318 Cb 0.14 -0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 40.06 1upm h LEU 318 CO -0.03 0.47 0.63 -0.09 -0.13 0.00 0.00 178.44 179.30 1upm h ARG 319 N 0.51 1.00 0.39 1.25 2.43 -0.86 0.24 114.38 119.34 1upm h ARG 319 Ca 0.14 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1upm h ARG 319 Cb 0.09 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1upm h ARG 319 CO -0.02 0.66 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.85 1upm h LEU 320 N 1.03 -0.44 -0.11 3.80 3.38 -1.08 -3.31 115.31 118.58 1upm h LEU 320 Ca 0.48 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.37 1upm h LEU 320 Cb 0.40 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1upm h LEU 320 CO -0.23 -0.01 -0.32 -1.28 0.09 0.00 0.00 178.44 176.69 1upm h SER 321 N -0.99 -0.97 0.00 -0.43 0.87 -1.08 -2.46 113.55 108.50 1upm h SER 321 Ca -0.05 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1upm h SER 321 Cb 0.53 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1upm h SER 321 CO 0.09 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1upm n GLY 322 N -1.41 4.13 3.53 5.77 0.00 0.82 -4.40 105.19 113.64 1upm n GLY 322 Ca -0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.40 -0.01 -0.02 0.00 -1.25 -4.78 107.32 100.86 1upm s GLY 323 Ca 0.00 1.40 0.17 0.00 0.00 0.00 0.00 44.72 46.28 1upm s GLY 323 CO 0.00 0.61 0.64 1.22 0.00 0.00 0.00 173.10 175.57 1upm n ASP 324 N 0.15 0.65 -4.24 1.64 8.00 0.52 -4.46 116.55 118.81 1upm n ASP 324 Ca -0.09 0.29 -0.23 0.00 0.71 0.00 0.00 54.79 55.47 1upm n ASP 324 Cb 0.60 0.39 -0.13 0.00 -0.02 0.00 0.00 41.12 41.96 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 -2.83 1.63 -0.04 1.24 3.76 -1.04 -1.66 115.29 116.35 1upm s HIS 325 Ca -0.05 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.41 1upm s HIS 325 Cb 0.08 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1upm s HIS 325 CO 0.82 0.13 0.14 -1.50 -0.85 0.00 0.00 174.74 173.48 1upm s ILE 326 N -1.02 0.02 0.24 0.60 2.07 -0.71 -1.64 121.20 120.76 1upm s ILE 326 Ca 0.05 -0.13 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 1upm s ILE 326 Cb -0.09 -0.24 -0.10 0.00 0.13 0.00 0.00 42.46 42.16 1upm s ILE 326 CO 0.03 -0.07 1.42 -1.00 -1.91 0.00 0.00 174.94 173.41 1upm s HIS 327 N -0.18 3.05 0.00 3.50 3.76 -1.15 -0.05 115.29 124.22 1upm s HIS 327 Ca -0.03 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1upm s HIS 327 Cb -0.02 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 29.88 1upm s HIS 327 CO 0.00 -2.57 0.20 -1.13 -0.85 0.00 0.00 174.74 170.39 1upm n SER 328 N 2.41 0.40 0.00 1.40 3.41 -0.52 -4.77 113.62 115.95 1upm n SER 328 Ca 0.07 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1upm n SER 328 Cb 0.41 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.56 0.39 0.00 5.00 0.00 -1.25 -4.90 105.19 105.00 1upm n GLY 329 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.66 0.00 0.00 2.61 -2.24 -1.26 -4.42 114.28 109.63 1upm n THR 330 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1upm n THR 330 Cb 0.00 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.57 0.00 1.18 2.28 0.31 -1.26 -4.46 118.33 114.82 1upm n VAL 331 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1upm n VAL 331 Cb 0.13 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.35 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 -0.69 2.52 0.24 -1.26 -4.63 118.33 114.51 1upm n VAL 332 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1upm n VAL 332 Cb 0.00 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.37 1.62 0.02 7.63 0.00 -1.26 -4.26 105.19 110.31 1upm n GLY 333 Ca 0.11 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.49 1upm n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1upm n LYS 334 N 0.00 0.08 -4.39 1.61 2.85 -0.60 -4.74 118.16 112.96 1upm n LYS 334 Ca 0.00 0.04 -0.26 0.00 -1.05 0.00 0.00 58.31 57.04 1upm n LYS 334 Cb 0.00 -1.57 -0.11 0.00 -0.65 0.00 0.00 35.03 32.71 1upm n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1upm s LEU 335 N -3.38 2.64 0.34 -5.58 1.43 -1.26 -5.04 118.68 107.83 1upm s LEU 335 Ca 0.12 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1upm s LEU 335 Cb 0.17 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1upm s LEU 335 CO 0.61 0.09 1.17 -0.70 0.23 0.00 0.00 176.35 177.75 1upm s GLU 336 N -2.93 4.35 0.00 1.70 2.12 -1.26 -4.68 118.70 118.00 1upm s GLU 336 Ca 0.24 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.47 1upm s GLU 336 Cb -0.07 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1upm s GLU 336 CO 0.13 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1upm n GLY 337 N 0.86 0.02 3.75 -1.50 0.00 -1.26 -4.88 105.19 102.18 1upm n GLY 337 Ca 0.01 0.74 -0.41 0.00 0.00 0.00 0.00 46.02 46.37 1upm n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 338 N 0.00 4.63 0.16 1.61 0.41 -1.26 -3.99 118.70 120.26 1upm s GLU 338 Ca 0.00 1.75 -0.21 0.00 -0.41 0.00 0.00 54.97 56.10 1upm s GLU 338 Cb 0.00 -3.23 0.07 0.00 -1.78 0.00 0.00 34.13 29.18 1upm s GLU 338 CO 0.00 0.16 1.63 -0.09 -0.49 0.00 0.00 175.26 176.47 1upm h ARG 339 N 4.45 -0.18 -0.29 1.61 2.43 -1.98 -1.56 114.38 118.85 1upm h ARG 339 Ca -0.45 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.60 1upm h ARG 339 Cb 1.21 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1upm h ARG 339 CO 0.70 -0.12 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.27 1upm h ASP 340 N -0.19 0.78 -0.79 -3.80 3.32 -1.93 -1.14 116.42 112.68 1upm h ASP 340 Ca 0.17 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1upm h ASP 340 Cb 0.46 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1upm h ASP 340 CO -0.46 1.11 0.45 0.40 -1.72 0.00 0.00 179.24 179.01 1upm h ILE 341 N 0.48 1.23 -0.34 0.35 2.04 -1.72 -2.35 117.51 117.20 1upm h ILE 341 Ca 0.04 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 1upm h ILE 341 Cb 0.90 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1upm h ILE 341 CO 0.08 0.25 -0.13 0.74 0.00 0.00 0.00 178.15 179.09 1upm h THR 342 N 1.10 1.29 -0.70 -0.27 2.02 -1.03 -2.36 112.91 112.96 1upm h THR 342 Ca 0.28 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1upm h THR 342 Cb 0.01 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1upm h THR 342 CO -0.05 0.40 0.27 -0.07 0.37 0.00 0.00 175.52 176.44 1upm h LEU 343 N 0.46 0.95 0.03 2.58 3.38 -1.11 0.53 115.31 122.11 1upm h LEU 343 Ca 0.08 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1upm h LEU 343 Cb 0.65 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1upm h LEU 343 CO 0.04 0.85 -0.28 1.23 0.09 0.00 0.00 178.44 180.37 1upm h GLY 344 N 1.08 -0.47 1.68 0.83 0.00 -1.14 -2.24 103.07 102.81 1upm h GLY 344 Ca 0.23 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1upm h GLY 344 CO -0.02 -0.22 -0.45 0.27 0.00 0.00 0.00 176.54 176.12 1upm h PHE 345 N -0.44 0.00 -0.60 5.60 -5.15 -1.14 -2.37 116.94 112.83 1upm h PHE 345 Ca 0.06 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.85 1upm h PHE 345 Cb 0.52 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.65 1upm h PHE 345 CO -0.30 0.15 0.36 0.28 -2.00 0.00 0.00 178.31 176.80 1upm h VAL 346 N 0.00 1.06 -0.72 0.88 2.07 -0.86 -1.57 116.25 117.12 1upm h VAL 346 Ca -0.01 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1upm h VAL 346 Cb 1.12 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1upm h VAL 346 CO 0.02 0.13 0.25 0.44 0.02 0.00 0.00 177.57 178.43 1upm h ASP 347 N 0.71 1.01 0.35 0.57 3.32 -1.15 -1.69 116.42 119.55 1upm h ASP 347 Ca 0.24 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1upm h ASP 347 Cb 0.03 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1upm h ASP 347 CO -0.11 0.93 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.23 1upm h LEU 348 N 1.06 0.00 0.04 1.55 3.38 -1.07 -1.75 115.31 118.51 1upm h LEU 348 Ca 0.24 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.89 1upm h LEU 348 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1upm h LEU 348 CO -0.01 0.04 -1.85 0.18 0.09 0.00 0.00 178.44 176.89 1upm n LEU 349 N -3.34 1.45 -0.04 1.67 4.77 -0.62 -4.60 117.00 116.29 1upm n LEU 349 Ca -0.02 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1upm n LEU 349 Cb 0.18 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 1upm n LEU 349 CO 0.26 0.55 -0.85 0.54 -1.33 0.00 0.00 177.39 176.56 1upm n ARG 350 N -3.18 0.75 -3.73 3.23 1.74 -0.70 -1.24 116.66 113.54 1upm n ARG 350 Ca -0.23 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.52 1upm n ARG 350 Cb 1.05 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 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 -4.56 5.35 0.23 0.55 1.01 -0.67 -4.52 116.67 114.05 1upm s ASP 351 Ca -0.08 -0.48 0.24 0.00 0.71 0.00 0.00 52.55 52.94 1upm s ASP 351 Cb 0.10 -0.95 0.45 0.00 1.01 0.00 0.00 42.92 43.53 1upm s ASP 351 CO 0.78 -0.41 1.50 -0.78 0.21 0.00 0.00 175.17 176.47 1upm h ASP 352 N 1.17 0.00 -3.06 0.27 3.58 -1.91 -3.45 116.42 113.01 1upm h ASP 352 Ca -0.44 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 56.91 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 0.57 0.03 -0.11 -0.47 -2.88 0.00 0.00 179.24 176.39 1upm s TYR 353 N -3.18 -0.90 -0.07 0.28 5.04 -1.26 -1.33 117.35 115.93 1upm s TYR 353 Ca 0.07 1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 56.50 1upm s TYR 353 Cb 0.11 0.50 0.03 0.00 0.35 0.00 0.00 41.96 42.95 1upm s TYR 353 CO 0.68 -0.46 0.02 0.99 -1.34 0.00 0.00 175.55 175.43 1upm s THR 354 N 1.58 0.25 0.38 4.34 2.01 -0.55 -5.01 115.64 118.63 1upm s THR 354 Ca -0.10 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1upm s THR 354 Cb -0.06 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 71.91 1upm s THR 354 CO -0.17 0.23 1.00 -0.70 -0.69 0.00 0.00 174.62 174.29 1upm s GLU 355 N 2.02 4.32 0.04 4.92 2.12 -1.26 -1.06 118.70 129.81 1upm s GLU 355 Ca 0.05 1.40 -0.35 0.00 0.36 0.00 0.00 54.97 56.43 1upm s GLU 355 Cb -0.12 -2.59 -0.18 0.00 0.26 0.00 0.00 34.13 31.50 1upm s GLU 355 CO -0.05 0.02 0.89 1.17 -0.54 0.00 0.00 175.26 176.75 1upm n LYS 356 N 0.08 0.00 -3.04 4.30 4.81 -1.25 -4.77 118.16 118.29 1upm n LYS 356 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.47 1upm n LYS 356 Cb 0.50 -1.31 -0.00 0.00 0.02 0.00 0.00 35.03 34.24 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 -0.22 -1.49 0.62 3.14 2.15 0.42 -4.95 116.67 116.34 1upm s ASP 357 Ca 0.80 -1.16 0.35 0.00 0.43 0.00 0.00 52.55 52.97 1upm s ASP 357 Cb -1.13 1.93 2.04 0.00 -0.30 0.00 0.00 42.92 45.46 1upm s ASP 357 CO 0.54 -0.12 2.29 0.03 -0.17 0.00 0.00 175.17 177.74 1upm h ARG 358 N 6.22 0.00 0.00 4.34 2.47 -1.91 0.10 114.38 125.61 1upm h ARG 358 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1upm h ARG 358 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1upm h ARG 358 CO 0.07 0.00 -0.04 0.66 0.56 0.00 0.00 179.97 181.22 1upm h SER 359 N 0.00 0.00 -0.43 7.04 4.64 -1.96 -2.14 113.55 120.70 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1upm h SER 359 CO 0.00 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1upm n ARG 360 N -3.16 3.14 -1.01 4.77 1.74 -0.05 -4.76 116.66 117.33 1upm n ARG 360 Ca 0.00 -2.53 -0.00 0.00 -0.77 0.00 0.00 57.85 54.54 1upm n ARG 360 Cb 0.31 -1.62 -0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.47 0.47 3.48 -0.13 0.00 -0.81 -4.37 105.19 104.30 1upm n GLY 361 Ca 0.19 -0.26 -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 -1.96 4.48 -0.52 -0.61 1.01 -0.78 -4.92 121.20 117.90 1upm s ILE 362 Ca 0.00 -0.12 0.24 0.00 0.00 0.00 0.00 60.65 60.77 1upm s ILE 362 Cb 0.00 -4.54 0.24 0.00 0.01 0.00 0.00 42.46 38.17 1upm s ILE 362 CO 0.00 -1.16 1.54 1.88 0.00 0.00 0.00 174.94 177.20 1upm h TYR 363 N 9.33 0.00 -3.69 3.97 -1.99 -1.93 0.12 116.97 122.77 1upm h TYR 363 Ca -0.27 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.24 1upm h TYR 363 Cb 1.08 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.54 1upm h TYR 363 CO 0.89 0.00 -0.69 -0.06 -0.00 0.00 0.00 178.16 178.31 1upm s PHE 364 N -3.19 -0.00 0.20 4.88 0.08 -1.26 -4.90 117.98 113.78 1upm s PHE 364 Ca 0.07 0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.83 1upm s PHE 364 Cb 0.09 -0.01 -0.10 0.00 -0.57 0.00 0.00 43.02 42.44 1upm s PHE 364 CO 0.67 -0.03 1.45 0.99 -0.10 0.00 0.00 175.22 178.20 1upm s THR 365 N -0.12 2.82 -0.07 0.64 2.01 -1.26 -3.93 115.64 115.73 1upm s THR 365 Ca -0.01 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1upm s THR 365 Cb -0.01 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1upm s THR 365 CO -0.00 0.08 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.34 1upm s GLN 366 N 0.30 1.38 0.08 4.92 2.00 -0.22 -4.88 119.66 123.24 1upm s GLN 366 Ca 0.63 -0.28 0.06 0.00 -2.00 0.00 0.00 55.36 53.77 1upm s GLN 366 Cb -0.41 -1.26 -0.04 0.00 0.80 0.00 0.00 33.01 32.10 1upm s GLN 366 CO 0.37 -0.07 -0.08 -1.12 -0.50 0.00 0.00 175.29 173.89 1upm s SER 367 N 0.98 4.54 0.00 6.67 0.01 -1.26 -1.49 113.70 123.15 1upm s SER 367 Ca -0.09 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1upm s SER 367 Cb -0.15 -0.94 0.05 0.00 0.21 0.00 0.00 66.02 65.19 1upm s SER 367 CO 0.00 0.20 0.73 0.79 0.41 0.00 0.00 173.24 175.36 1upm n TRP 368 N 0.83 0.04 -3.92 2.43 7.02 -0.44 -4.70 117.44 118.70 1upm n TRP 368 Ca -0.13 -0.12 -0.28 0.00 -1.02 0.00 0.00 57.50 55.94 1upm n TRP 368 Cb 0.52 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.11 -1.25 -0.92 -0.99 0.24 -1.26 -0.46 118.33 113.80 1upm n VAL 369 Ca 0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1upm n VAL 369 Cb 0.14 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 -1.77 -3.50 -4.50 -1.34 7.64 -1.26 -5.00 113.62 103.90 1upm n SER 370 Ca -0.18 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.12 1upm n SER 370 Cb 0.48 -2.04 -0.08 0.00 -1.01 0.00 0.00 64.21 61.56 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 -2.31 0.05 -1.48 0.44 -1.04 0.39 -4.87 114.28 105.46 1upm n THR 371 Ca 0.00 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1upm n THR 371 Cb 0.21 -0.06 0.07 0.00 -1.82 0.00 0.00 70.33 68.73 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 1.57 0.68 -3.37 -2.82 -0.02 -1.26 -4.91 135.00 124.87 1upm n PRO 372 Ca 0.20 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1upm n PRO 372 Cb 0.09 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.47 2.38 -0.04 -1.23 0.00 -1.26 -4.65 107.32 101.05 1upm s GLY 373 Ca 0.75 -0.18 -0.18 0.00 0.00 0.00 0.00 44.72 45.11 1upm s GLY 373 CO 0.48 0.05 0.50 0.14 0.00 0.00 0.00 173.10 174.27 1upm s VAL 374 N -1.63 5.04 -0.11 1.40 1.01 -0.37 -1.78 120.40 123.95 1upm s VAL 374 Ca 0.42 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 1upm s VAL 374 Cb -0.13 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1upm s VAL 374 CO 0.20 0.43 1.33 -0.76 0.00 0.00 0.00 175.10 176.30 1upm s LEU 375 N -0.13 4.23 0.19 3.92 1.43 -0.66 -4.25 118.68 123.42 1upm s LEU 375 Ca 0.27 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.91 1upm s LEU 375 Cb -0.17 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1upm s LEU 375 CO 0.14 -0.76 1.20 -2.16 0.23 0.00 0.00 176.35 175.00 1upm s PRO 376 N 3.26 4.49 -0.16 1.29 0.04 -1.26 -1.74 135.00 140.92 1upm s PRO 376 Ca 0.59 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 1upm s PRO 376 Cb -0.25 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1upm s PRO 376 CO 0.19 -0.08 -0.12 0.08 0.04 0.00 0.00 177.00 177.11 1upm s VAL 377 N -0.13 2.96 -0.26 -0.36 1.01 0.93 -0.98 120.40 123.57 1upm s VAL 377 Ca 0.52 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1upm s VAL 377 Cb -0.33 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1upm s VAL 377 CO 0.37 0.50 0.12 0.00 0.00 0.00 0.00 175.10 176.09 1upm s ALA 378 N 0.83 3.32 -0.06 5.51 0.00 0.17 -1.43 121.76 130.10 1upm s ALA 378 Ca -0.04 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1upm s ALA 378 Cb -0.15 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.75 1upm s ALA 378 CO 0.00 -0.52 0.44 0.45 0.00 0.00 0.00 175.76 176.13 1upm s SER 379 N 1.68 -0.38 0.00 0.00 0.15 -1.26 -0.91 113.70 112.98 1upm s SER 379 Ca 0.07 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1upm s SER 379 Cb -0.16 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1upm s SER 379 CO 0.07 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1upm n GLY 380 N 1.59 2.09 1.90 9.45 0.00 -1.26 -4.58 105.19 114.39 1upm n GLY 380 Ca -0.19 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.04 0.42 3.77 -0.02 0.00 -1.26 -1.56 105.19 106.60 1upm n GLY 381 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 3.48 0.30 -0.61 -4.36 -1.26 -4.32 121.20 112.42 1upm s ILE 382 Ca 0.00 -1.58 -0.08 0.00 -0.26 0.00 0.00 60.65 58.73 1upm s ILE 382 Cb 0.00 -3.09 0.03 0.00 1.25 0.00 0.00 42.46 40.65 1upm s ILE 382 CO 0.00 -0.23 0.54 0.00 0.24 0.00 0.00 174.94 175.49 1upm n HIS 383 N -1.19 -1.81 -0.25 1.37 1.44 -1.26 -4.35 115.22 109.17 1upm n HIS 383 Ca -0.04 -1.55 0.08 0.00 -2.01 0.00 0.00 57.72 54.20 1upm n HIS 383 Cb 0.60 0.63 0.33 0.00 0.12 0.00 0.00 29.99 31.67 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 1.77 0.96 0.00 0.61 -1.51 -1.92 -1.37 116.25 114.79 1upm h VAL 384 Ca -0.24 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1upm h VAL 384 Cb 0.94 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1upm h VAL 384 CO 0.32 0.15 -0.09 -0.50 -1.23 0.00 0.00 177.57 176.22 1upm h TRP 385 N 0.81 0.00 0.00 5.19 4.06 -1.95 -1.33 115.95 122.73 1upm h TRP 385 Ca 0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.34 1upm h TRP 385 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1upm h TRP 385 CO -0.00 0.09 0.00 0.72 -3.56 0.00 0.00 178.44 175.68 1upm n HIS 386 N -3.23 0.00 0.02 0.49 8.25 -0.52 -4.42 115.22 115.81 1upm n HIS 386 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1upm n HIS 386 Cb 0.34 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 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 0.03 -0.44 -0.41 -1.53 -1.31 -1.50 114.93 109.77 1upm h MET 387 Ca 0.00 -0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.34 1upm h MET 387 Cb 0.21 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.18 1upm h MET 387 CO 0.00 0.08 0.03 -1.35 0.14 0.00 0.00 176.91 175.81 1upm h PRO 388 N -0.02 0.14 -0.48 0.39 0.11 -1.81 -0.08 132.00 130.25 1upm h PRO 388 Ca 0.01 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1upm h PRO 388 Cb 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1upm h PRO 388 CO -0.00 0.09 0.13 0.00 -0.21 0.00 0.00 178.00 178.01 1upm h ALA 389 N 1.37 0.63 -0.24 -0.75 0.00 -1.71 -1.58 119.26 116.98 1upm h ALA 389 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1upm h ALA 389 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1upm h ALA 389 CO -0.34 0.30 0.13 -0.07 0.00 0.00 0.00 179.25 179.26 1upm h LEU 390 N 0.64 0.19 -1.04 0.00 3.38 -0.88 -0.44 115.31 117.17 1upm h LEU 390 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1upm h LEU 390 Cb 0.30 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1upm h LEU 390 CO -0.00 0.15 0.65 0.74 0.09 0.00 0.00 178.44 180.06 1upm h THR 391 N 0.26 1.24 -0.32 0.22 2.02 -0.92 -1.30 112.91 114.12 1upm h THR 391 Ca 0.09 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 1upm h THR 391 Cb 0.01 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 1upm h THR 391 CO -0.06 0.24 0.05 -0.08 0.37 0.00 0.00 175.52 176.04 1upm h GLU 392 N 1.32 0.53 0.00 6.66 4.22 -1.09 -1.29 114.58 124.92 1upm h GLU 392 Ca 0.36 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 1upm h GLU 392 Cb -0.14 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1upm h GLU 392 CO -0.08 0.62 -0.00 0.82 -2.18 0.00 0.00 179.01 178.19 1upm h ILE 393 N 0.35 1.32 0.00 2.32 2.04 -0.80 -3.37 117.51 119.36 1upm h ILE 393 Ca 0.10 -0.95 -0.30 0.00 1.00 0.00 0.00 64.86 64.70 1upm h ILE 393 Cb 0.36 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1upm h ILE 393 CO 0.01 0.25 -1.98 0.49 0.00 0.00 0.00 178.15 176.91 1upm n PHE 394 N -4.90 0.53 -4.35 1.37 3.72 -0.51 -5.04 117.46 108.29 1upm n PHE 394 Ca -0.08 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1upm n PHE 394 Cb 0.21 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 1.61 -1.35 0.26 1.37 0.00 -0.49 -4.30 105.19 102.29 1upm n GLY 395 Ca -0.23 -1.23 -0.04 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 0.63 -1.12 1.61 3.32 -1.90 -3.33 116.42 115.63 1upm h ASP 396 Ca 0.00 -0.19 -0.74 0.00 0.02 0.00 0.00 57.03 56.11 1upm h ASP 396 Cb 0.00 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 39.25 1upm h ASP 396 CO 0.00 0.81 2.23 0.47 -1.72 0.00 0.00 179.24 181.02 1upm n ASP 397 N -4.16 4.83 -3.98 6.45 8.00 -1.26 -2.78 116.55 123.66 1upm n ASP 397 Ca 0.01 -3.04 -0.09 0.00 0.71 0.00 0.00 54.79 52.37 1upm n ASP 397 Cb 0.37 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.89 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 1.54 -0.09 -0.12 -2.24 1.04 -1.25 -4.24 113.70 108.34 1upm s SER 398 Ca 0.42 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1upm s SER 398 Cb 0.10 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 1upm s SER 398 CO -0.01 -1.10 -0.17 -0.69 0.98 0.00 0.00 173.24 172.24 1upm s VAL 399 N -4.00 2.70 -0.23 5.02 1.01 -0.15 -1.09 120.40 123.65 1upm s VAL 399 Ca 0.21 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1upm s VAL 399 Cb -0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1upm s VAL 399 CO 0.07 0.54 0.05 -0.76 0.00 0.00 0.00 175.10 175.00 1upm s LEU 400 N 0.35 3.40 -0.13 3.92 1.43 0.72 0.45 118.68 128.83 1upm s LEU 400 Ca -0.14 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1upm s LEU 400 Cb -0.17 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1upm s LEU 400 CO 0.07 0.00 -0.12 -1.10 0.23 0.00 0.00 176.35 175.43 1upm s GLN 401 N 1.39 3.35 -0.40 1.70 -0.21 -0.09 -1.43 119.66 123.97 1upm s GLN 401 Ca 0.05 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1upm s GLN 401 Cb -0.15 -2.65 0.12 0.00 1.00 0.00 0.00 33.01 31.33 1upm s GLN 401 CO 0.03 0.26 0.16 -0.06 -2.12 0.00 0.00 175.29 173.55 1upm s PHE 402 N 0.25 2.57 0.00 0.91 0.08 -0.34 -4.28 117.98 117.18 1upm s PHE 402 Ca -0.08 -2.54 0.00 0.00 0.12 0.00 0.00 56.93 54.43 1upm s PHE 402 Cb -0.15 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1upm s PHE 402 CO 0.05 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.74 1upm n GLY 403 N 3.96 1.52 0.31 4.36 0.00 -1.26 -2.98 105.19 111.10 1upm n GLY 403 Ca 0.04 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 2.48 -0.94 0.00 -0.02 0.00 -1.26 -0.46 105.19 104.98 1upm n GLY 404 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 46.02 46.92 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 -1.34 -0.84 0.70 -0.02 0.00 -1.26 -0.45 105.19 101.99 1upm n GLY 405 Ca 0.31 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.42 0.41 1.54 2.61 -1.04 0.07 -4.66 114.28 111.79 1upm n THR 406 Ca 0.04 -0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.09 1upm n THR 406 Cb 0.13 -1.52 0.74 0.00 -1.82 0.00 0.00 70.33 67.86 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 -3.28 0.19 -1.03 -4.42 4.32 0.39 -2.61 117.00 110.56 1upm n LEU 407 Ca -0.15 0.12 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1upm n LEU 407 Cb 0.61 -0.19 0.24 0.00 -1.62 0.00 0.00 43.42 42.46 1upm n LEU 407 CO 0.01 0.03 0.71 0.61 -1.22 0.00 0.00 177.39 177.54 1upm n GLY 408 N 1.22 1.40 3.77 -0.72 0.00 0.41 -4.93 105.19 106.34 1upm n GLY 408 Ca 0.16 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.58 3.22 0.54 1.61 5.04 -1.07 -4.94 115.29 118.10 1upm s HIS 409 Ca 0.37 1.54 0.19 0.00 -1.54 0.00 0.00 55.06 55.62 1upm s HIS 409 Cb 0.22 -3.49 1.40 0.00 0.04 0.00 0.00 32.58 30.74 1upm s HIS 409 CO 0.31 -1.32 2.17 -1.00 -2.34 0.00 0.00 174.74 172.56 1upm h PRO 410 N 3.33 0.00 -0.43 2.88 0.13 -1.91 -2.54 132.00 133.46 1upm h PRO 410 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1upm h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1upm h PRO 410 CO 0.65 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.33 1upm n TRP 411 N -4.38 0.55 0.00 1.56 8.01 -1.26 -5.10 117.44 116.82 1upm n TRP 411 Ca -0.03 -0.28 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 1upm n TRP 411 Cb 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 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 1.49 -3.26 0.25 6.99 0.00 -0.96 -4.68 105.19 105.03 1upm n GLY 412 Ca 0.20 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.85 0.17 1.61 4.21 -1.87 -1.13 115.58 119.42 1upm h ASN 413 Ca 0.00 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.14 1upm h ASN 413 Cb 0.00 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1upm h ASN 413 CO 0.00 1.01 -0.08 0.00 -1.29 0.00 0.00 177.43 177.07 1upm h ALA 414 N 0.87 -0.23 -0.50 -0.83 0.00 -1.84 -0.52 119.26 116.21 1upm h ALA 414 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 414 Cb 0.63 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1upm h ALA 414 CO 0.04 -0.52 0.33 -1.35 0.00 0.00 0.00 179.25 177.75 1upm h PRO 415 N -0.45 0.61 -0.64 0.00 0.11 -1.83 -0.26 132.00 129.54 1upm h PRO 415 Ca -0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1upm h PRO 415 Cb 0.35 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1upm h PRO 415 CO 0.04 0.40 0.20 0.78 -0.21 0.00 0.00 178.00 179.21 1upm h GLY 416 N 0.63 1.08 0.85 -0.55 0.00 -0.88 -1.84 103.07 102.35 1upm h GLY 416 Ca 0.19 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1upm h GLY 416 CO -0.05 0.60 -0.05 0.00 0.00 0.00 0.00 176.54 177.05 1upm h ALA 417 N 1.07 0.34 -0.40 3.60 0.00 -0.23 -2.83 119.26 120.82 1upm h ALA 417 Ca 0.21 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 417 Cb 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1upm h ALA 417 CO -0.01 0.13 -0.13 0.28 0.00 0.00 0.00 179.25 179.52 1upm h VAL 418 N 0.22 0.54 -0.43 0.00 2.07 -0.71 -0.65 116.25 117.29 1upm h VAL 418 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1upm h VAL 418 Cb 0.50 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1upm h VAL 418 CO 0.02 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.53 1upm h ALA 419 N 1.33 0.31 -0.50 1.67 0.00 -1.34 0.43 119.26 121.17 1upm h ALA 419 Ca 0.19 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1upm h ALA 419 Cb 0.34 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1upm h ALA 419 CO -0.43 -0.44 -0.06 -0.91 0.00 0.00 0.00 179.25 177.41 1upm h ASN 420 N 0.02 0.86 -0.17 0.00 -0.26 -1.19 -0.23 115.58 114.62 1upm h ASN 420 Ca 0.21 -0.25 -0.12 0.00 -0.56 0.00 0.00 56.30 55.58 1upm h ASN 420 Cb 0.32 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1upm h ASN 420 CO -0.42 0.96 -0.36 -0.09 -1.06 0.00 0.00 177.43 176.46 1upm h ARG 421 N 0.80 0.54 -0.73 0.81 9.65 -0.20 -1.94 114.38 123.31 1upm h ARG 421 Ca 0.14 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1upm h ARG 421 Cb 0.57 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.15 1upm h ARG 421 CO 0.03 0.97 0.48 0.28 2.80 0.00 0.00 179.97 184.53 1upm h VAL 422 N 0.18 1.17 -0.56 0.20 2.07 -0.14 -1.59 116.25 117.58 1upm h VAL 422 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1upm h VAL 422 Cb 0.96 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1upm h VAL 422 CO 0.08 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.16 1upm h ALA 423 N 1.28 0.72 -0.28 1.67 0.00 -0.98 -0.97 119.26 120.71 1upm h ALA 423 Ca 0.27 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 423 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1upm h ALA 423 CO -0.07 0.24 -0.17 1.25 0.00 0.00 0.00 179.25 180.50 1upm h LEU 424 N 0.76 0.63 -0.88 0.00 5.85 -1.16 -1.65 115.31 118.86 1upm h LEU 424 Ca 0.20 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1upm h LEU 424 Cb 0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1upm h LEU 424 CO -0.03 0.93 0.24 -0.33 -0.34 0.00 0.00 178.44 178.91 1upm h GLU 425 N 0.34 1.06 -0.53 1.25 5.08 -1.19 -0.52 114.58 120.08 1upm h GLU 425 Ca 0.06 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1upm h GLU 425 Cb 0.71 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1upm h GLU 425 CO 0.05 0.89 0.32 0.00 -1.00 0.00 0.00 179.01 179.27 1upm h ALA 426 N 1.23 0.68 -0.63 3.43 0.00 -0.96 0.28 119.26 123.30 1upm h ALA 426 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1upm h ALA 426 Cb 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1upm h ALA 426 CO -0.01 0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.65 1upm h VAL 428 N 0.85 1.20 -0.30 0.00 2.07 -0.56 -0.49 116.25 119.03 1upm h VAL 428 Ca 0.23 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1upm h VAL 428 Cb -0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1upm h VAL 428 CO -0.04 0.22 0.20 -0.61 0.02 0.00 0.00 177.57 177.35 1upm h GLN 429 N 0.29 0.40 -0.38 1.57 4.15 -0.37 -1.19 115.11 119.58 1upm h GLN 429 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1upm h GLN 429 Cb 0.25 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1upm h GLN 429 CO -0.00 0.27 0.24 0.00 -1.93 0.00 0.00 178.83 177.41 1upm h ALA 430 N 1.11 0.49 -0.62 3.38 0.00 -1.23 -0.77 119.26 121.61 1upm h ALA 430 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 430 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1upm h ALA 430 CO -0.02 -0.04 0.38 -0.09 0.00 0.00 0.00 179.25 179.48 1upm h ARG 431 N 0.51 0.72 -0.13 0.00 2.43 -0.91 -1.54 114.38 115.46 1upm h ARG 431 Ca 0.14 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1upm h ARG 431 Cb -0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1upm h ARG 431 CO -0.03 0.48 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.72 1upm h ASN 432 N 0.75 0.24 0.05 -3.80 -0.26 -0.59 -1.52 115.58 110.45 1upm h ASN 432 Ca 0.25 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1upm h ASN 432 Cb 0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1upm h ASN 432 CO -0.11 0.52 -0.00 -0.62 -1.06 0.00 0.00 177.43 176.16 1upm n GLU 433 N -4.14 0.95 0.00 0.81 1.02 -0.35 -4.91 120.64 114.02 1upm n GLU 433 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1upm n GLU 433 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.51 3.77 0.62 0.00 -0.57 -5.07 105.19 105.48 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 -0.73 2.47 -0.33 1.61 0.52 -0.62 -4.99 118.95 116.88 1upm s ARG 435 Ca 0.00 1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 56.37 1upm s ARG 435 Cb 0.00 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 1upm s ARG 435 CO 0.00 -1.49 0.21 0.34 0.02 0.00 0.00 175.30 174.37 1upm s ASP 436 N -3.02 5.88 0.18 0.23 -1.08 -1.26 -4.42 116.67 113.18 1upm s ASP 436 Ca 0.64 -0.46 -0.05 0.00 -0.52 0.00 0.00 52.55 52.16 1upm s ASP 436 Cb -0.19 -2.09 0.06 0.00 -1.46 0.00 0.00 42.92 39.25 1upm s ASP 436 CO 0.50 -0.22 1.48 -0.07 0.52 0.00 0.00 175.17 177.37 1upm h LEU 437 N 8.44 0.69 -0.64 -1.34 3.38 -1.93 0.40 115.31 124.30 1upm h LEU 437 Ca -0.32 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1upm h LEU 437 Cb 1.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1upm h LEU 437 CO 0.63 1.11 0.39 0.00 0.09 0.00 0.00 178.44 180.65 1upm h ALA 438 N 0.90 0.84 0.02 1.53 0.00 -1.93 -2.34 119.26 118.28 1upm h ALA 438 Ca 0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1upm h ALA 438 Cb 1.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1upm h ALA 438 CO 0.11 0.13 -1.86 0.54 0.00 0.00 0.00 179.25 178.17 1upm n ARG 439 N -4.72 0.66 -0.29 0.00 1.74 -1.05 -4.39 116.66 108.60 1upm n ARG 439 Ca 0.07 0.25 0.08 0.00 -0.77 0.00 0.00 57.85 57.48 1upm n ARG 439 Cb 0.10 -1.74 0.23 0.00 -1.02 0.00 0.00 32.46 30.03 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 -3.07 2.90 -0.10 5.56 1.02 0.14 -4.73 120.64 122.36 1upm n GLU 440 Ca -0.22 -2.37 -0.12 0.00 -0.02 0.00 0.00 57.16 54.44 1upm n GLU 440 Cb 1.06 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.97 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 2.93 -0.76 1.83 0.62 0.00 -1.57 0.70 103.07 106.82 1upm h GLY 441 Ca 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.89 1upm h GLY 441 CO 0.03 -0.17 -0.14 3.43 0.00 0.00 0.00 176.54 179.69 1upm h ASN 442 N -0.40 0.20 0.37 0.19 -0.26 -1.87 -1.24 115.58 112.57 1upm h ASN 442 Ca 0.10 -0.04 -0.16 0.00 -0.56 0.00 0.00 56.30 55.64 1upm h ASN 442 Cb 0.61 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1upm h ASN 442 CO -0.54 0.36 -0.67 0.74 -1.06 0.00 0.00 177.43 176.26 1upm h THR 443 N 0.20 1.40 0.01 2.81 2.02 -1.71 -0.07 112.91 117.57 1upm h THR 443 Ca 0.04 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 1upm h THR 443 Cb 0.37 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1upm h THR 443 CO 0.02 0.62 -0.01 0.40 0.37 0.00 0.00 175.52 176.93 1upm h ILE 444 N 0.19 1.22 -0.34 3.11 2.04 0.19 -1.37 117.51 122.55 1upm h ILE 444 Ca -0.02 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1upm h ILE 444 Cb 1.21 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1upm h ILE 444 CO 0.11 0.18 0.17 0.40 0.00 0.00 0.00 178.15 179.01 1upm h ILE 445 N -0.32 0.99 -0.54 -0.67 1.08 -1.23 -2.61 117.51 114.22 1upm h ILE 445 Ca -0.00 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 1upm h ILE 445 Cb 0.31 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1upm h ILE 445 CO 0.00 0.07 0.33 -0.09 -0.69 0.00 0.00 178.15 177.77 1upm h ARG 446 N 0.36 0.64 -0.86 2.37 9.65 -0.99 -1.49 114.38 124.06 1upm h ARG 446 Ca 0.14 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.10 1upm h ARG 446 Cb 0.05 -0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.40 1upm h ARG 446 CO -0.09 0.42 0.49 0.93 2.80 0.00 0.00 179.97 184.51 1upm h GLU 447 N 0.66 0.74 -0.04 0.20 5.08 -0.97 -2.76 114.58 117.49 1upm h GLU 447 Ca 0.22 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1upm h GLU 447 Cb 0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1upm h GLU 447 CO -0.09 0.49 -0.55 0.00 -1.00 0.00 0.00 179.01 177.86 1upm h ALA 448 N 1.50 1.01 0.00 3.43 0.00 -0.92 -2.61 119.26 121.67 1upm h ALA 448 Ca 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1upm h ALA 448 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1upm h ALA 448 CO -0.29 0.69 0.00 1.79 0.00 0.00 0.00 179.25 181.45 1upm h THR 449 N 0.09 0.00 0.00 0.00 1.35 -1.11 -1.61 112.91 111.63 1upm h THR 449 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 1upm h THR 449 Cb 1.00 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1upm h THR 449 CO 0.08 0.00 -0.38 0.11 -0.25 0.00 0.00 175.52 175.08 1upm h LYS 450 N 0.00 0.00 -0.00 4.72 1.79 -1.51 -3.31 116.57 118.26 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 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1upm h LYS 450 CO 0.00 0.38 -0.22 -2.67 -1.08 0.00 0.00 179.45 175.85 1upm n TRP 451 N -3.45 0.00 -3.84 -1.35 4.27 -0.93 -4.91 117.44 107.23 1upm n TRP 451 Ca 0.00 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.27 1upm n TRP 451 Cb 0.54 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.37 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 -1.45 5.09 0.35 -0.67 0.15 -0.65 -4.96 113.70 111.56 1upm s SER 452 Ca 0.02 -2.19 0.07 0.00 0.70 0.00 0.00 55.95 54.55 1upm s SER 452 Cb 0.04 -1.77 0.77 0.00 -1.71 0.00 0.00 66.02 63.34 1upm s SER 452 CO 0.20 -0.47 1.88 -0.65 1.20 0.00 0.00 173.24 175.39 1upm h PRO 453 N 7.76 0.72 -0.40 5.44 0.11 -1.88 -1.35 132.00 142.41 1upm h PRO 453 Ca -0.09 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1upm h PRO 453 Cb 1.02 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1upm h PRO 453 CO 0.66 0.48 0.08 0.93 -0.21 0.00 0.00 178.00 179.93 1upm h GLU 454 N 0.74 0.65 -0.44 1.05 3.07 -1.92 -1.58 114.58 116.15 1upm h GLU 454 Ca 0.43 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 1upm h GLU 454 Cb 0.61 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1upm h GLU 454 CO -0.19 0.69 0.04 1.25 -1.40 0.00 0.00 179.01 179.39 1upm h LEU 455 N 0.50 0.73 -0.78 1.33 5.85 -1.72 -2.88 115.31 118.34 1upm h LEU 455 Ca 0.12 -0.28 0.15 0.00 0.84 0.00 0.00 57.88 58.71 1upm h LEU 455 Cb 0.35 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1upm h LEU 455 CO 0.01 0.83 0.33 0.00 -0.34 0.00 0.00 178.44 179.26 1upm h ALA 456 N 0.92 1.12 -0.03 1.25 0.00 -1.08 0.28 119.26 121.73 1upm h ALA 456 Ca 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 456 Cb 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1upm h ALA 456 CO 0.02 -0.20 -0.48 0.00 0.00 0.00 0.00 179.25 178.59 1upm h ALA 457 N 1.56 1.15 -0.08 0.00 0.00 -1.21 -2.19 119.26 118.49 1upm h ALA 457 Ca 0.43 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1upm h ALA 457 Cb 0.66 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1upm h ALA 457 CO -0.41 0.61 -0.50 0.00 0.00 0.00 0.00 179.25 178.96 1upm h ALA 458 N 1.45 0.17 -0.42 0.00 0.00 -0.94 -2.98 119.26 116.54 1upm h ALA 458 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.47 1upm h ALA 458 Cb 0.87 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1upm h ALA 458 CO 0.07 0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.76 1upm h GLU 460 N 0.22 0.49 -0.59 0.00 5.08 -1.44 -1.80 114.58 116.54 1upm h GLU 460 Ca 0.21 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1upm h GLU 460 Cb 0.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1upm h GLU 460 CO -0.27 0.33 0.08 0.28 -1.00 0.00 0.00 179.01 178.42 1upm h VAL 461 N 0.51 1.26 -0.33 3.13 2.07 -1.33 -3.31 116.25 118.25 1upm h VAL 461 Ca 0.25 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1upm h VAL 461 Cb 0.19 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1upm h VAL 461 CO -0.19 0.38 0.00 0.79 0.02 0.00 0.00 177.57 178.57 1upm n TRP 462 N -4.28 0.71 -0.03 1.57 8.01 -0.97 -4.74 117.44 117.71 1upm n TRP 462 Ca 0.03 -0.66 0.21 0.00 -1.31 0.00 0.00 57.50 55.77 1upm n TRP 462 Cb 0.29 -0.15 0.69 0.00 -2.01 0.00 0.00 31.31 30.12 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 2.05 0.02 -0.02 -0.99 2.10 -1.42 -1.56 116.57 116.75 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 1.06 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1upm h LYS 463 CO 0.10 0.01 -0.00 0.39 -2.00 0.00 0.00 179.45 177.95 1upm n GLU 464 N -4.37 1.89 -3.27 0.07 -0.58 -1.26 -4.97 120.64 108.14 1upm n GLU 464 Ca 0.11 -1.30 -0.39 0.00 -0.42 0.00 0.00 57.16 55.16 1upm n GLU 464 Cb 0.64 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.00 5.12 0.03 -3.67 -1.09 -0.59 -5.03 121.20 113.96 1upm s ILE 465 Ca 0.34 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.62 1upm s ILE 465 Cb 0.21 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1upm s ILE 465 CO 0.32 0.18 0.06 -0.54 -1.23 0.00 0.00 174.94 173.73 1upm s LYS 466 N 1.67 0.51 -0.34 2.79 1.02 -1.26 -5.04 119.74 119.09 1upm s LYS 466 Ca 0.23 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1upm s LYS 466 Cb -0.15 0.20 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1upm s LYS 466 CO 0.09 -0.12 0.09 -0.06 -0.92 0.00 0.00 175.35 174.43 1upm s PHE 467 N -2.25 2.71 -0.19 3.18 0.40 -1.26 -5.09 117.98 115.47 1upm s PHE 467 Ca -0.08 -2.39 -0.02 0.00 -0.60 0.00 0.00 56.93 53.84 1upm s PHE 467 Cb -0.03 -2.31 0.05 0.00 0.51 0.00 0.00 43.02 41.24 1upm s PHE 467 CO -0.03 -0.90 -0.00 -1.21 0.70 0.00 0.00 175.22 173.77 1upm s GLU 468 N 1.18 0.99 0.06 0.44 2.02 -1.26 -4.79 118.70 117.34 1upm s GLU 468 Ca 0.11 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 1upm s GLU 468 Cb -0.19 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1upm s GLU 468 CO -0.16 -0.57 0.13 -0.06 0.02 0.00 0.00 175.26 174.62 1upm s PHE 469 N 1.73 0.22 0.20 1.61 0.40 -1.26 -5.14 117.98 115.74 1upm s PHE 469 Ca -0.01 -0.61 -0.31 0.00 -0.60 0.00 0.00 56.93 55.40 1upm s PHE 469 Cb -0.17 -0.14 -0.10 0.00 0.51 0.00 0.00 43.02 43.13 1upm s PHE 469 CO -0.07 -0.45 1.44 -2.14 0.70 0.00 0.00 175.22 174.69 1upm s PRO 470 N -3.37 4.28 0.34 0.24 0.01 -1.26 -4.99 135.00 130.26 1upm s PRO 470 Ca 0.01 2.24 -0.22 0.00 0.01 0.00 0.00 61.00 63.04 1upm s PRO 470 Cb 0.03 -3.15 -0.10 0.00 0.01 0.00 0.00 34.50 31.29 1upm s PRO 470 CO -0.08 -0.44 0.90 0.00 0.01 0.00 0.00 177.00 177.39 1upm s ALA 471 N 0.44 3.19 -0.21 -1.55 0.00 -1.26 -4.97 121.76 117.40 1upm s ALA 471 Ca 0.62 0.39 0.22 0.00 0.00 0.00 0.00 51.96 53.18 1upm s ALA 471 Cb -0.41 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1upm s ALA 471 CO 0.38 0.20 1.00 -1.33 0.00 0.00 0.00 175.76 176.00 1upm n MET 472 N 0.09 0.61 -3.88 0.00 2.81 -1.26 -4.76 117.12 110.73 1upm n MET 472 Ca 0.03 0.13 -0.33 0.00 -1.81 0.00 0.00 57.70 55.72 1upm n MET 472 Cb 0.52 -1.82 -0.13 0.00 -0.71 0.00 0.00 33.22 31.08 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 -5.40 4.90 0.25 7.83 2.15 -1.26 -4.36 116.67 120.78 1upm s ASP 473 Ca -0.01 -2.41 0.11 0.00 0.43 0.00 0.00 52.55 50.67 1upm s ASP 473 Cb 0.09 -1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 40.94 1upm s ASP 473 CO 0.80 -0.40 -0.21 0.42 -0.17 0.00 0.00 175.17 175.61 1upm s THR 474 N 0.57 2.37 -1.61 1.71 -4.23 -1.26 -4.66 115.64 108.53 1upm s THR 474 Ca 0.12 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1upm s THR 474 Cb -0.22 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1upm s THR 474 CO -0.04 -0.33 0.40 0.52 -0.54 0.00 0.00 174.62 174.62