#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 -5.27 -4.82 0.00 3.41 -1.26 -5.04 113.62 100.64 1upm n SER 10 Ca 0.00 1.48 -0.30 0.00 -0.26 0.00 0.00 58.87 59.78 1upm n SER 10 Cb 0.00 -3.62 -0.06 0.00 -0.26 0.00 0.00 64.21 60.27 1upm n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1upm s VAL 11 N -0.34 4.77 0.55 -3.33 0.11 -1.26 -5.09 120.40 115.80 1upm s VAL 11 Ca -0.01 -0.70 -0.19 0.00 -2.93 0.00 0.00 61.98 58.15 1upm s VAL 11 Cb 0.00 -3.32 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1upm s VAL 11 CO 0.04 0.10 0.56 1.21 -3.33 0.00 0.00 175.10 173.68 1upm n GLU 12 N 0.31 0.57 -2.27 1.54 0.00 -1.26 -4.92 120.64 114.62 1upm n GLU 12 Ca -0.08 0.22 -0.42 0.00 0.00 0.00 0.00 57.16 56.88 1upm n GLU 12 Cb 0.52 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 30.22 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 -1.66 2.89 -0.31 4.31 5.36 -1.26 -5.02 117.98 122.29 1upm s PHE 13 Ca 0.68 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1upm s PHE 13 Cb -0.47 -3.62 0.07 0.00 -0.34 0.00 0.00 43.02 38.67 1upm s PHE 13 CO 0.55 -2.24 0.01 0.21 -1.46 0.00 0.00 175.22 172.29 1upm s LYS 14 N 2.46 2.15 0.28 10.12 2.47 -1.26 -5.10 119.74 130.86 1upm s LYS 14 Ca 0.62 -1.48 -0.30 0.00 -1.56 0.00 0.00 55.97 53.26 1upm s LYS 14 Cb -0.30 -3.17 -0.11 0.00 -1.46 0.00 0.00 37.83 32.80 1upm s LYS 14 CO 0.25 -0.73 1.49 0.00 0.16 0.00 0.00 175.35 176.52 1upm s ALA 15 N 1.14 3.66 0.00 3.13 0.00 -1.26 -4.79 121.76 123.63 1upm s ALA 15 Ca -0.01 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1upm s ALA 15 Cb -0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1upm s ALA 15 CO -0.04 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1upm n GLY 16 N 2.01 2.36 3.88 0.00 0.00 -1.26 -5.00 105.19 107.18 1upm n GLY 16 Ca 0.07 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.70 5.08 0.25 1.61 0.11 -1.26 -2.22 120.40 122.27 1upm s VAL 17 Ca 0.00 0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1upm s VAL 17 Cb 0.00 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.20 1upm s VAL 17 CO 0.00 0.09 0.34 -1.59 -3.33 0.00 0.00 175.10 170.61 1upm s LYS 18 N -2.47 1.49 0.39 1.54 -2.85 -1.26 -5.01 119.74 111.57 1upm s LYS 18 Ca 0.40 -1.50 -0.25 0.00 -1.00 0.00 0.00 55.97 53.62 1upm s LYS 18 Cb -0.12 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 1upm s LYS 18 CO 0.22 -0.57 1.13 -0.51 0.10 0.00 0.00 175.35 175.72 1upm s ASP 19 N -3.12 6.61 0.41 0.03 1.01 -1.26 -4.93 116.67 115.42 1upm s ASP 19 Ca 0.31 2.26 0.08 0.00 0.71 0.00 0.00 52.55 55.91 1upm s ASP 19 Cb 0.02 -2.61 0.87 0.00 1.01 0.00 0.00 42.92 42.22 1upm s ASP 19 CO 0.13 -0.60 2.04 1.88 0.21 0.00 0.00 175.17 178.82 1upm h TYR 20 N 2.66 0.52 0.00 4.23 0.05 -1.93 -2.91 116.97 119.59 1upm h TYR 20 Ca -0.48 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 1upm h TYR 20 Cb 1.23 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 1upm h TYR 20 CO 0.56 0.32 -0.04 1.57 -1.05 0.00 0.00 178.16 179.51 1upm h LYS 21 N 0.55 0.00 -0.12 4.88 2.10 -1.86 -0.32 116.57 121.81 1upm h LYS 21 Ca 0.18 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.85 1upm h LYS 21 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1upm h LYS 21 CO -0.04 0.04 0.08 -0.07 -2.00 0.00 0.00 179.45 177.46 1upm h LEU 22 N 0.00 0.07 0.00 7.07 3.38 -1.86 -3.13 115.31 120.84 1upm h LEU 22 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1upm h LEU 22 Cb 0.46 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1upm h LEU 22 CO 0.01 0.05 -1.58 0.41 0.09 0.00 0.00 178.44 177.41 1upm n THR 23 N -4.52 0.58 0.27 0.22 -1.04 -0.70 -4.84 114.28 104.26 1upm n THR 23 Ca -0.01 -0.31 0.05 0.00 -2.04 0.00 0.00 64.05 61.75 1upm n THR 23 Cb 0.14 -0.82 0.07 0.00 -1.82 0.00 0.00 70.33 67.90 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 -2.50 0.12 -4.01 -1.42 4.01 -0.21 -4.88 117.16 108.27 1upm n TYR 24 Ca -0.15 -0.14 -0.35 0.00 -0.16 0.00 0.00 57.90 57.10 1upm n TYR 24 Cb 0.74 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.64 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 3.07 -0.43 -0.72 5.04 -1.18 -1.59 117.35 120.65 1upm s TYR 25 Ca 0.15 -0.38 0.08 0.00 -2.44 0.00 0.00 57.07 54.48 1upm s TYR 25 Cb 0.09 -2.11 0.31 0.00 0.35 0.00 0.00 41.96 40.60 1upm s TYR 25 CO 0.13 -0.21 0.89 2.41 -1.34 0.00 0.00 175.55 177.43 1upm n THR 26 N 4.29 -0.14 0.29 4.34 -1.04 0.34 -4.91 114.28 117.46 1upm n THR 26 Ca -0.17 -2.81 0.18 0.00 -2.04 0.00 0.00 64.05 59.21 1upm n THR 26 Cb 0.52 0.52 0.95 0.00 -1.82 0.00 0.00 70.33 70.50 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 3.25 0.00 -0.01 -2.82 0.13 -1.76 -2.30 132.00 128.48 1upm h PRO 27 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1upm h PRO 27 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1upm h PRO 27 CO 0.32 0.00 -0.19 0.39 -0.23 0.00 0.00 178.00 178.28 1upm n GLU 28 N -2.81 1.25 -1.88 0.86 -0.58 -1.26 -4.83 120.64 111.38 1upm n GLU 28 Ca -0.02 -0.82 -0.42 0.00 -0.42 0.00 0.00 57.16 55.49 1upm n GLU 28 Cb 0.10 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.32 3.02 -0.10 -0.32 5.04 -0.87 -5.01 117.35 116.80 1upm s TYR 29 Ca 0.28 0.55 -0.18 0.00 -2.44 0.00 0.00 57.07 55.28 1upm s TYR 29 Cb 0.20 -3.98 -0.05 0.00 0.35 0.00 0.00 41.96 38.48 1upm s TYR 29 CO 0.46 -3.66 0.47 -1.21 -1.34 0.00 0.00 175.55 170.27 1upm s GLU 30 N 1.13 4.28 0.32 4.97 2.02 -1.26 -5.00 118.70 125.17 1upm s GLU 30 Ca 0.71 0.44 -0.28 0.00 0.02 0.00 0.00 54.97 55.86 1upm s GLU 30 Cb -0.45 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.28 1upm s GLU 30 CO 0.32 0.25 1.18 0.95 0.02 0.00 0.00 175.26 177.97 1upm s THR 31 N 0.33 3.16 0.41 3.63 -4.23 -1.26 -5.02 115.64 112.67 1upm s THR 31 Ca 0.25 1.13 -0.16 0.00 -1.18 0.00 0.00 61.69 61.74 1upm s THR 31 Cb -0.15 -3.70 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1upm s THR 31 CO 0.11 0.24 0.85 -0.76 -0.54 0.00 0.00 174.62 174.51 1upm s LEU 32 N -1.79 3.88 0.00 4.79 1.43 -1.26 -4.98 118.68 120.74 1upm s LEU 32 Ca 0.49 1.40 0.19 0.00 -1.03 0.00 0.00 54.13 55.17 1upm s LEU 32 Cb -0.34 -4.26 0.90 0.00 0.03 0.00 0.00 46.19 42.51 1upm s LEU 32 CO 0.44 -0.38 1.59 0.47 0.23 0.00 0.00 176.35 178.70 1upm n ASP 33 N -0.94 0.00 -0.62 2.29 8.00 -1.26 -2.03 116.55 121.99 1upm n ASP 33 Ca 0.05 0.18 0.12 0.00 0.71 0.00 0.00 54.79 55.85 1upm n ASP 33 Cb 0.54 -0.36 0.21 0.00 -0.02 0.00 0.00 41.12 41.49 1upm n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1upm n THR 34 N -1.36 0.00 -2.60 -3.53 -2.24 -1.26 -4.53 114.28 98.76 1upm n THR 34 Ca 0.07 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1upm n THR 34 Cb 0.17 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.20 6.68 -0.07 3.42 1.01 -0.86 -3.52 116.67 121.13 1upm s ASP 35 Ca 0.27 1.94 -0.23 0.00 0.71 0.00 0.00 52.55 55.24 1upm s ASP 35 Cb 0.20 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1upm s ASP 35 CO 0.41 -0.54 0.70 -0.63 0.21 0.00 0.00 175.17 175.32 1upm s ILE 36 N -1.84 5.05 -0.16 0.77 1.09 0.87 -4.16 121.20 122.83 1upm s ILE 36 Ca 0.61 1.43 -0.05 0.00 -1.10 0.00 0.00 60.65 61.54 1upm s ILE 36 Cb -0.18 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.15 1upm s ILE 36 CO 0.23 0.25 0.01 -0.76 -0.10 0.00 0.00 174.94 174.57 1upm s LEU 37 N 0.79 3.54 -0.13 2.97 1.43 -1.01 -0.24 118.68 126.03 1upm s LEU 37 Ca 0.37 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1upm s LEU 37 Cb -0.18 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1upm s LEU 37 CO 0.18 0.19 -0.07 0.00 0.23 0.00 0.00 176.35 176.88 1upm s ALA 38 N 0.25 2.89 -0.46 4.21 0.00 0.19 0.04 121.76 128.88 1upm s ALA 38 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 1upm s ALA 38 Cb -0.13 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.66 1upm s ALA 38 CO 0.02 0.32 0.49 0.00 0.00 0.00 0.00 175.76 176.58 1upm s ALA 39 N 0.05 3.45 -0.19 0.00 0.00 -1.00 -0.51 121.76 123.55 1upm s ALA 39 Ca -0.02 -1.75 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 1upm s ALA 39 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1upm s ALA 39 CO 0.03 -1.77 0.03 -0.06 0.00 0.00 0.00 175.76 174.00 1upm s PHE 40 N 2.17 3.13 -0.71 0.00 0.08 -0.03 -1.18 117.98 121.45 1upm s PHE 40 Ca 0.11 -0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.70 1upm s PHE 40 Cb -0.20 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1upm s PHE 40 CO 0.11 -0.06 1.40 0.50 -0.10 0.00 0.00 175.22 177.07 1upm s ARG 41 N 0.74 3.08 -0.16 0.44 3.52 0.25 -0.44 118.95 126.38 1upm s ARG 41 Ca 0.02 -0.05 -0.06 0.00 -0.13 0.00 0.00 55.73 55.51 1upm s ARG 41 Cb -0.14 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.00 1upm s ARG 41 CO 0.02 -2.26 0.04 0.54 -0.81 0.00 0.00 175.30 172.83 1upm s VAL 42 N 6.41 4.62 -0.50 7.11 0.11 0.16 -1.80 120.40 136.52 1upm s VAL 42 Ca 0.42 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1upm s VAL 42 Cb -0.09 -3.05 0.13 0.00 -1.53 0.00 0.00 36.38 31.84 1upm s VAL 42 CO 0.16 0.50 0.25 -0.44 -3.33 0.00 0.00 175.10 172.24 1upm s SER 43 N 0.12 4.61 0.69 3.54 0.01 -0.70 -1.39 113.70 120.57 1upm s SER 43 Ca 0.04 -2.77 -0.14 0.00 1.31 0.00 0.00 55.95 54.39 1upm s SER 43 Cb -0.12 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.43 1upm s SER 43 CO 0.01 -0.30 1.10 -2.84 0.41 0.00 0.00 173.24 171.62 1upm s PRO 44 N 0.05 2.70 0.75 12.44 0.02 -1.26 -0.21 135.00 149.49 1upm s PRO 44 Ca 0.15 1.30 -0.12 0.00 0.02 0.00 0.00 61.00 62.35 1upm s PRO 44 Cb -0.23 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.39 1upm s PRO 44 CO -0.02 -1.32 1.12 -0.65 -0.33 0.00 0.00 177.00 175.80 1upm s GLN 45 N -4.34 2.27 0.18 5.54 -1.52 -0.64 -4.44 119.66 116.71 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 -0.19 -1.89 -0.14 0.00 -0.22 0.00 0.00 33.01 30.57 1upm s GLN 45 CO 0.45 -1.66 1.53 -2.30 -0.25 0.00 0.00 175.29 173.06 1upm n PRO 46 N -3.16 2.08 -0.30 2.91 -0.02 -1.26 -1.95 135.00 133.30 1upm n PRO 46 Ca 0.10 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1upm n PRO 46 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.07 0.87 3.39 -1.23 0.00 -1.26 -5.03 105.19 105.01 1upm n GLY 47 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.73 4.49 0.51 1.61 1.01 -0.82 -5.08 120.40 119.40 1upm s VAL 48 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1upm s VAL 48 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1upm s VAL 48 CO 0.00 -0.10 1.22 -2.16 0.00 0.00 0.00 175.10 174.06 1upm s PRO 49 N 1.56 3.41 0.36 2.72 0.04 -1.26 -4.77 135.00 137.07 1upm s PRO 49 Ca 0.03 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.03 1upm s PRO 49 Cb -0.18 -2.24 0.80 0.00 0.04 0.00 0.00 34.50 32.92 1upm s PRO 49 CO 0.06 -0.86 1.92 -1.00 0.04 0.00 0.00 177.00 177.15 1upm h PRO 50 N 1.59 0.68 -0.74 0.56 0.13 -1.98 -1.59 132.00 130.66 1upm h PRO 50 Ca -0.50 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1upm h PRO 50 Cb 1.27 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1upm h PRO 50 CO 0.58 0.45 0.47 0.93 -0.23 0.00 0.00 178.00 180.20 1upm h GLU 51 N 0.70 0.89 -0.02 0.86 3.07 -1.99 -0.49 114.58 117.61 1upm h GLU 51 Ca 0.38 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.01 1upm h GLU 51 Cb 0.51 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1upm h GLU 51 CO -0.15 0.59 -0.77 1.49 -1.40 0.00 0.00 179.01 178.78 1upm h GLU 52 N 0.92 0.14 -0.15 2.33 4.57 -1.69 -1.88 114.58 118.83 1upm h GLU 52 Ca 0.29 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1upm h GLU 52 Cb 0.00 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1upm h GLU 52 CO -0.11 0.84 -0.13 0.00 -1.18 0.00 0.00 179.01 178.43 1upm h ALA 53 N 1.12 0.21 -0.24 2.92 0.00 -1.03 -0.54 119.26 121.70 1upm h ALA 53 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1upm h ALA 53 Cb 1.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1upm h ALA 53 CO 0.11 0.08 0.15 0.78 0.00 0.00 0.00 179.25 180.37 1upm h GLY 54 N -0.02 0.34 1.11 0.00 0.00 -1.13 -2.11 103.07 101.26 1upm h GLY 54 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1upm h GLY 54 CO 0.03 0.14 0.57 0.00 0.00 0.00 0.00 176.54 177.28 1upm h ALA 55 N 1.05 1.32 -0.27 3.60 0.00 -1.27 -1.84 119.26 121.85 1upm h ALA 55 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 55 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1upm h ALA 55 CO -0.02 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1upm h ALA 56 N 1.41 0.36 -0.03 0.00 0.00 -0.81 0.37 119.26 120.56 1upm h ALA 56 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 56 Cb -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1upm h ALA 56 CO -0.07 0.06 0.02 0.28 0.00 0.00 0.00 179.25 179.54 1upm h VAL 57 N 0.25 1.02 -0.49 0.00 2.07 -1.20 -2.28 116.25 115.62 1upm h VAL 57 Ca 0.08 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1upm h VAL 57 Cb 0.37 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1upm h VAL 57 CO 0.01 0.02 0.30 0.00 0.02 0.00 0.00 177.57 177.92 1upm h ALA 58 N 0.99 0.63 -0.27 1.67 0.00 -1.26 -2.38 119.26 118.64 1upm h ALA 58 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 58 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1upm h ALA 58 CO -0.00 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.37 1upm h ALA 59 N 1.21 0.35 0.00 0.00 0.00 -0.84 -3.14 119.26 116.84 1upm h ALA 59 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 59 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1upm h ALA 59 CO -0.08 -0.08 -0.30 -1.91 0.00 0.00 0.00 179.25 176.87 1upm n GLU 60 N -4.79 0.00 -0.62 0.00 4.07 -0.87 0.02 120.64 118.46 1upm n GLU 60 Ca -0.02 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.17 1upm n GLU 60 Cb 0.11 -1.50 0.36 0.00 -0.06 0.00 0.00 31.44 30.35 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 -1.50 4.76 0.00 4.31 3.41 -0.90 -4.77 113.62 118.93 1upm n SER 61 Ca 0.06 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1upm n SER 61 Cb 0.34 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.17 0.00 0.00 4.04 3.41 -0.99 -4.46 113.62 116.79 1upm n SER 62 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1upm n SER 62 Cb 0.89 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.65 0.00 -4.02 6.66 -2.24 -0.85 -4.94 114.28 108.25 1upm n THR 63 Ca 0.00 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1upm n THR 63 Cb 0.00 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.25 1.88 0.00 3.38 0.00 0.10 -5.03 107.32 106.40 1upm s GLY 64 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1upm s GLY 64 CO 0.00 -1.05 0.00 -0.37 0.00 0.00 0.00 173.10 171.68 1upm n THR 65 N -0.06 0.00 0.47 0.90 5.66 -1.26 -4.23 114.28 115.76 1upm n THR 65 Ca -0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.05 1upm n THR 65 Cb 0.53 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.53 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 0.14 0.00 -3.49 1.09 5.08 -2.00 -3.46 115.95 113.30 1upm h TRP 66 Ca 0.00 0.00 -0.38 0.00 1.08 0.00 0.00 58.89 59.59 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 -0.62 -0.08 -1.28 0.00 0.00 178.44 176.46 1upm s THR 67 N -3.18 0.79 0.00 0.12 -1.32 -1.26 -4.67 115.64 106.11 1upm s THR 67 Ca 0.07 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.28 1upm s THR 67 Cb 0.11 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1upm s THR 67 CO 0.69 -0.09 0.81 -0.89 -2.21 0.00 0.00 174.62 172.92 1upm s THR 68 N -3.59 4.86 -0.09 5.08 2.01 -0.94 -4.99 115.64 117.97 1upm s THR 68 Ca 0.35 1.71 0.01 0.00 0.31 0.00 0.00 61.69 64.07 1upm s THR 68 Cb 0.08 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1upm s THR 68 CO 0.12 0.27 -0.12 0.68 -0.69 0.00 0.00 174.62 174.89 1upm s VAL 69 N 0.51 3.24 0.48 3.82 -7.23 -1.26 -4.50 120.40 115.45 1upm s VAL 69 Ca 0.42 -0.62 0.24 0.00 -1.81 0.00 0.00 61.98 60.20 1upm s VAL 69 Cb -0.20 -2.33 0.28 0.00 0.56 0.00 0.00 36.38 34.69 1upm s VAL 69 CO 0.23 0.56 2.10 4.11 -0.31 0.00 0.00 175.10 181.79 1upm h TRP 70 N 6.00 0.00 0.00 2.82 5.08 -1.96 -3.06 115.95 124.83 1upm h TRP 70 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1upm h TRP 70 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1upm h TRP 70 CO 0.51 0.10 0.00 0.25 -1.28 0.00 0.00 178.44 178.02 1upm n THR 71 N -3.94 1.07 -0.21 0.12 -2.24 -1.26 -2.55 114.28 105.27 1upm n THR 71 Ca -0.02 0.30 0.14 0.00 -2.27 0.00 0.00 64.05 62.20 1upm n THR 71 Cb 0.19 -1.15 0.45 0.00 -2.10 0.00 0.00 70.33 67.72 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 0.50 0.67 3.42 3.32 -1.92 -2.42 116.42 120.00 1upm h ASP 72 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1upm h ASP 72 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1upm h ASP 72 CO 0.00 0.26 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 1upm n GLY 73 N -1.48 -1.20 0.15 2.75 0.00 -1.06 -2.54 105.19 101.82 1upm n GLY 73 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1upm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upm h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.65 -3.47 115.31 114.56 1upm h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 74 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1upm h LEU 74 CO 0.00 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.36 1upm n THR 75 N -3.33 0.00 -3.77 0.22 -2.24 -1.05 -5.09 114.28 99.01 1upm n THR 75 Ca 0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 1upm n THR 75 Cb 0.67 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.47 5.11 0.29 3.42 3.84 -1.26 -4.96 114.94 120.91 1upm s ASN 76 Ca 0.00 -3.10 0.01 0.00 0.21 0.00 0.00 52.86 49.98 1upm s ASN 76 Cb 0.00 -1.80 0.56 0.00 -0.55 0.00 0.00 41.25 39.46 1upm s ASN 76 CO 0.00 -0.29 1.86 0.25 -2.79 0.00 0.00 177.10 176.13 1upm h LEU 77 N 6.63 0.92 -1.47 3.21 5.85 -1.99 -2.01 115.31 126.43 1upm h LEU 77 Ca 0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1upm h LEU 77 Cb 0.90 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1upm h LEU 77 CO 0.73 0.52 -0.25 0.44 -0.34 0.00 0.00 178.44 179.54 1upm h ASP 78 N 1.00 0.00 1.92 1.25 3.32 -1.95 0.12 116.42 122.08 1upm h ASP 78 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1upm h ASP 78 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1upm h ASP 78 CO -0.23 0.25 -0.04 0.08 -1.72 0.00 0.00 179.24 177.58 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.80 -3.36 114.38 112.90 1upm h ARG 79 Ca -0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1upm h ARG 79 Cb 0.56 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 1upm h ARG 79 CO 0.03 0.04 -2.05 0.66 0.10 0.00 0.00 179.97 178.75 1upm n TYR 80 N -3.11 0.00 -1.74 4.08 4.01 -0.69 -4.85 117.16 114.86 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 0.54 -0.65 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.41 2.48 -1.55 -0.72 2.85 0.34 -4.63 118.16 114.52 1upm n LYS 81 Ca -0.16 0.87 -0.32 0.00 -1.05 0.00 0.00 58.31 57.66 1upm n LYS 81 Cb 0.78 -2.57 0.06 0.00 -0.65 0.00 0.00 35.03 32.66 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 -0.03 1.84 -0.18 2.58 0.00 -1.26 -4.63 107.32 105.64 1upm s GLY 82 Ca 0.57 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.49 1upm s GLY 82 CO 0.60 0.63 0.43 1.09 0.00 0.00 0.00 173.10 175.85 1upm s ARG 83 N -4.65 0.41 -0.28 2.90 1.70 -0.45 -4.63 118.95 113.96 1upm s ARG 83 Ca 0.62 0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 56.43 1upm s ARG 83 Cb -0.17 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.23 1upm s ARG 83 CO 0.50 -0.16 1.20 0.00 -1.08 0.00 0.00 175.30 175.75 1upm n TYR 85 N 7.09 0.00 -3.64 0.00 4.11 -0.68 -0.50 117.16 123.52 1upm n TYR 85 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.91 1upm n TYR 85 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.73 1upm n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1upm s HIS 86 N -1.12 -0.81 -0.10 -3.48 5.04 -1.24 -4.38 115.29 109.21 1upm s HIS 86 Ca 0.02 1.87 0.02 0.00 -1.54 0.00 0.00 55.06 55.42 1upm s HIS 86 Cb 0.02 0.33 0.02 0.00 0.04 0.00 0.00 32.58 32.99 1upm s HIS 86 CO 0.11 -0.39 -0.14 0.42 -2.34 0.00 0.00 174.74 172.40 1upm s ILE 87 N 0.64 1.42 -0.11 0.89 1.01 -1.26 -1.19 121.20 122.60 1upm s ILE 87 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1upm s ILE 87 Cb -0.05 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.13 1upm s ILE 87 CO -0.04 0.43 -0.15 -0.70 0.00 0.00 0.00 174.94 174.48 1upm s GLU 88 N 1.00 2.20 0.34 2.79 2.12 -0.15 -5.00 118.70 122.00 1upm s GLU 88 Ca -0.07 -0.56 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 1upm s GLU 88 Cb -0.15 -1.87 -0.09 0.00 0.26 0.00 0.00 34.13 32.28 1upm s GLU 88 CO -0.01 -0.06 1.14 -1.25 -0.54 0.00 0.00 175.26 174.53 1upm s PRO 89 N 0.98 4.37 -0.20 4.30 0.04 -1.26 -0.04 135.00 143.18 1upm s PRO 89 Ca -0.07 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.56 1upm s PRO 89 Cb -0.15 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 1upm s PRO 89 CO -0.01 -0.04 0.76 0.08 0.04 0.00 0.00 177.00 177.83 1upm s VAL 90 N -1.31 4.92 0.14 -0.36 1.01 -0.13 -4.82 120.40 119.84 1upm s VAL 90 Ca 0.51 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 1upm s VAL 90 Cb -0.31 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 1upm s VAL 90 CO 0.40 0.02 1.78 0.00 0.00 0.00 0.00 175.10 177.31 1upm s ALA 91 N 2.29 3.79 0.00 5.51 0.00 -1.26 -2.37 121.76 129.72 1upm s ALA 91 Ca 0.34 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1upm s ALA 91 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1upm s ALA 91 CO 0.10 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1upm n GLY 92 N 4.15 0.71 3.01 0.00 0.00 -1.26 -5.04 105.19 106.76 1upm n GLY 92 Ca 0.17 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 1.60 -0.06 1.61 0.41 -1.00 -5.11 118.70 115.66 1upm s GLU 93 Ca 0.00 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 1upm s GLU 93 Cb 0.00 -1.35 -0.03 0.00 -1.78 0.00 0.00 34.13 30.97 1upm s GLU 93 CO 0.00 0.01 1.26 -1.83 -0.49 0.00 0.00 175.26 174.21 1upm s GLU 94 N 0.70 4.32 -1.37 1.61 1.03 -1.26 -4.34 118.70 119.39 1upm s GLU 94 Ca -0.14 1.74 -0.06 0.00 0.03 0.00 0.00 54.97 56.54 1upm s GLU 94 Cb -0.16 -3.60 0.03 0.00 -0.80 0.00 0.00 34.13 29.60 1upm s GLU 94 CO 0.03 -0.52 0.92 -1.71 -1.33 0.00 0.00 175.26 172.65 1upm n ASN 95 N 5.49 -3.31 -3.76 0.83 5.15 -1.26 -4.98 115.26 113.42 1upm n ASN 95 Ca 0.12 -0.73 -0.18 0.00 -0.60 0.00 0.00 54.58 53.19 1upm n ASN 95 Cb 0.45 -4.33 -0.17 0.00 -0.53 0.00 0.00 39.78 35.21 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 -6.15 0.15 0.05 1.20 0.74 -1.26 -4.04 119.66 110.36 1upm s GLN 96 Ca 0.31 0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.96 1upm s GLN 96 Cb -0.15 -0.50 -0.02 0.00 1.10 0.00 0.00 33.01 33.44 1upm s GLN 96 CO 0.79 -0.22 -0.15 0.71 -0.55 0.00 0.00 175.29 175.87 1upm s TYR 97 N 1.48 1.33 -0.46 1.67 1.51 -0.48 -0.96 117.35 121.43 1upm s TYR 97 Ca -0.04 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.40 1upm s TYR 97 Cb -0.13 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 1upm s TYR 97 CO -0.03 0.06 0.87 0.42 -1.11 0.00 0.00 175.55 175.76 1upm s ILE 98 N -0.96 4.54 -0.21 2.71 -1.09 0.94 0.40 121.20 127.53 1upm s ILE 98 Ca 0.02 0.58 -0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1upm s ILE 98 Cb -0.09 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1upm s ILE 98 CO 0.02 -0.81 0.07 0.00 -1.23 0.00 0.00 174.94 172.99 1upm s TYR 100 N 0.84 3.34 -0.03 0.00 1.51 -0.33 -0.85 117.35 121.83 1upm s TYR 100 Ca 0.04 0.45 0.05 0.00 -1.01 0.00 0.00 57.07 56.61 1upm s TYR 100 Cb -0.14 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 1upm s TYR 100 CO 0.02 -0.00 -0.19 0.08 -1.11 0.00 0.00 175.55 174.35 1upm s VAL 101 N 1.29 1.52 -0.13 0.71 1.01 0.33 -1.69 120.40 123.44 1upm s VAL 101 Ca 0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1upm s VAL 101 Cb -0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1upm s VAL 101 CO 0.07 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 1upm s ALA 102 N -0.27 2.75 -0.16 5.51 0.00 -0.57 0.53 121.76 129.56 1upm s ALA 102 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1upm s ALA 102 Cb -0.09 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.77 1upm s ALA 102 CO 0.01 0.29 -0.14 0.71 0.00 0.00 0.00 175.76 176.63 1upm s TYR 103 N 0.17 2.21 0.39 0.00 2.02 0.66 -1.34 117.35 121.47 1upm s TYR 103 Ca -0.06 -1.28 -0.25 0.00 -0.37 0.00 0.00 57.07 55.11 1upm s TYR 103 Cb -0.15 -1.60 -0.11 0.00 -0.40 0.00 0.00 41.96 39.70 1upm s TYR 103 CO 0.04 -0.68 1.11 -2.30 -1.57 0.00 0.00 175.55 172.15 1upm n PRO 104 N 4.76 1.58 -0.34 -1.71 -0.02 -1.26 -0.09 135.00 137.92 1upm n PRO 104 Ca -0.17 0.56 0.20 0.00 -2.02 0.00 0.00 63.50 62.08 1upm n PRO 104 Cb 0.49 -2.13 0.44 0.00 -0.02 0.00 0.00 33.50 32.28 1upm n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upm h LEU 105 N 1.85 0.59 -0.27 2.45 5.85 -1.93 -1.94 115.31 121.90 1upm h LEU 105 Ca -0.45 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1upm h LEU 105 Cb 1.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1upm h LEU 105 CO 0.59 0.08 0.00 0.47 -0.34 0.00 0.00 178.44 179.23 1upm n ASP 106 N -4.81 0.23 0.24 1.25 9.92 -1.26 -2.84 116.55 119.28 1upm n ASP 106 Ca 0.27 0.56 0.13 0.00 -0.53 0.00 0.00 54.79 55.23 1upm n ASP 106 Cb 0.82 -0.61 0.43 0.00 -0.64 0.00 0.00 41.12 41.12 1upm n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1upm h LEU 107 N 0.00 0.00 -9.71 0.64 3.38 -1.71 -3.47 115.31 104.45 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 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1upm h LEU 107 CO 0.00 0.07 -0.50 -0.36 0.09 0.00 0.00 178.44 177.74 1upm s PHE 108 N -3.46 3.52 -0.10 1.13 0.08 -1.13 -5.06 117.98 112.97 1upm s PHE 108 Ca 0.03 0.39 -0.29 0.00 0.12 0.00 0.00 56.93 57.18 1upm s PHE 108 Cb 0.08 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1upm s PHE 108 CO 0.62 0.66 0.99 -2.00 -0.10 0.00 0.00 175.22 175.38 1upm s GLU 109 N -1.59 4.43 0.25 0.44 2.12 -1.26 -5.01 118.70 118.07 1upm s GLU 109 Ca 0.22 1.36 -0.31 0.00 0.36 0.00 0.00 54.97 56.60 1upm s GLU 109 Cb -0.12 -3.53 -0.13 0.00 0.26 0.00 0.00 34.13 30.60 1upm s GLU 109 CO 0.13 -0.28 1.39 0.39 -0.54 0.00 0.00 175.26 176.35 1upm n GLU 110 N 4.88 2.01 -1.03 4.30 4.71 -1.26 -2.62 120.64 131.64 1upm n GLU 110 Ca 0.08 0.72 -0.01 0.00 -0.01 0.00 0.00 57.16 57.94 1upm n GLU 110 Cb 0.49 -2.36 -0.00 0.00 -1.01 0.00 0.00 31.44 28.55 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 2.04 0.24 3.09 0.62 0.00 -1.20 -4.97 105.19 105.00 1upm n GLY 111 Ca 0.11 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 5.15 0.21 1.61 0.15 -1.08 -4.93 113.70 112.75 1upm s SER 112 Ca 0.00 -2.48 -0.10 0.00 0.70 0.00 0.00 55.95 54.07 1upm s SER 112 Cb 0.00 -1.82 0.23 0.00 -1.71 0.00 0.00 66.02 62.72 1upm s SER 112 CO 0.00 -0.43 1.81 0.58 1.20 0.00 0.00 173.24 176.40 1upm h VAL 113 N 5.82 0.98 -0.89 4.45 2.07 -1.93 -2.31 116.25 124.43 1upm h VAL 113 Ca -0.07 -0.23 0.18 0.00 0.82 0.00 0.00 66.70 67.40 1upm h VAL 113 Cb 0.99 0.24 -0.17 0.00 -1.52 0.00 0.00 31.29 30.83 1upm h VAL 113 CO 0.70 0.12 -0.22 0.74 0.02 0.00 0.00 177.57 178.93 1upm h THR 114 N 0.68 0.11 -0.14 2.57 2.02 -1.92 -0.96 112.91 115.28 1upm h THR 114 Ca 0.29 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 1upm h THR 114 Cb 0.17 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1upm h THR 114 CO -0.17 0.00 -0.44 -1.13 0.37 0.00 0.00 175.52 174.14 1upm h ASN 115 N 0.00 0.35 0.03 4.18 -0.73 -1.77 -1.57 115.58 116.06 1upm h ASN 115 Ca 0.43 -0.16 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1upm h ASN 115 Cb 0.67 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1upm h ASN 115 CO -0.92 0.75 -0.02 -0.03 -0.37 0.00 0.00 177.43 176.84 1upm h MET 116 N 0.27 -0.05 -0.58 6.67 4.05 -0.98 -2.61 114.93 121.70 1upm h MET 116 Ca 0.02 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1upm h MET 116 Cb 0.89 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.65 1upm h MET 116 CO 0.07 0.36 0.29 0.74 0.23 0.00 0.00 176.91 178.60 1upm h PHE 117 N -0.46 0.52 -0.57 1.39 0.04 -1.29 -2.42 116.94 114.15 1upm h PHE 117 Ca -0.00 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.88 1upm h PHE 117 Cb 0.43 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.36 1upm h PHE 117 CO 0.07 0.23 0.19 1.15 -0.60 0.00 0.00 178.31 179.35 1upm h THR 118 N 0.54 0.77 0.71 -1.55 2.02 -1.09 -0.98 112.91 113.34 1upm h THR 118 Ca 0.27 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1upm h THR 118 Cb 0.21 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1upm h THR 118 CO -0.20 0.07 -0.34 0.28 0.37 0.00 0.00 175.52 175.69 1upm h SER 119 N 0.36 -0.81 1.27 4.18 0.02 -1.35 -2.78 113.55 114.43 1upm h SER 119 Ca 0.28 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1upm h SER 119 Cb 0.35 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1upm h SER 119 CO -0.30 -0.45 -0.11 0.40 -1.14 0.00 0.00 176.83 175.23 1upm h ILE 120 N -1.21 0.24 0.00 3.27 2.04 -1.07 -3.27 117.51 117.52 1upm h ILE 120 Ca -0.10 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1upm h ILE 120 Cb 0.75 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1upm h ILE 120 CO 0.16 0.11 -0.10 0.52 0.00 0.00 0.00 178.15 178.83 1upm n VAL 121 N -3.19 0.20 0.14 1.67 0.31 -0.40 -4.87 118.33 112.18 1upm n VAL 121 Ca 0.01 -0.22 -0.06 0.00 -0.01 0.00 0.00 64.34 64.06 1upm n VAL 121 Cb 0.43 0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 34.11 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 -1.50 -3.43 103.07 100.63 1upm h GLY 122 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1upm h GLY 122 CO 0.00 -0.16 -1.06 0.70 0.00 0.00 0.00 176.54 176.03 1upm n ASN 123 N -4.51 4.74 0.26 0.19 3.02 -1.26 -4.85 115.26 112.84 1upm n ASN 123 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1upm n ASN 123 Cb 0.16 0.86 0.71 0.00 -0.61 0.00 0.00 39.78 40.90 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 0.61 0.00 2.41 -1.51 -1.86 -2.79 116.25 113.11 1upm h VAL 124 Ca -0.01 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1upm h VAL 124 Cb 0.43 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1upm h VAL 124 CO 0.00 0.12 0.00 0.49 -1.23 0.00 0.00 177.57 176.95 1upm n PHE 125 N -3.69 0.00 0.23 5.19 3.01 -1.26 -3.13 117.46 117.81 1upm n PHE 125 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 1upm n PHE 125 Cb 0.24 -0.35 0.05 0.00 -0.01 0.00 0.00 39.48 39.41 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 -0.40 0.16 3.62 1.37 0.00 -1.05 -4.84 105.19 104.05 1upm n GLY 126 Ca 0.04 -0.25 -0.50 0.00 0.00 0.00 0.00 46.02 45.32 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 0.42 1.77 -0.33 1.61 3.72 -1.18 -4.89 117.46 118.57 1upm n PHE 127 Ca 0.06 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 1upm n PHE 127 Cb 0.25 -2.40 0.14 0.00 -0.94 0.00 0.00 39.48 36.52 1upm n PHE 127 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1upm h LYS 128 N 4.94 1.06 0.00 -1.08 1.57 -1.95 -2.52 116.57 118.59 1upm h LYS 128 Ca -0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1upm h LYS 128 Cb 1.31 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1upm h LYS 128 CO 0.81 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 180.39 1upm n ALA 129 N -2.35 1.29 -2.51 3.86 0.00 -1.26 -4.64 120.51 114.89 1upm n ALA 129 Ca 0.13 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1upm n ALA 129 Cb 0.14 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.73 2.79 -0.09 0.00 1.43 -0.95 -1.62 118.68 117.52 1upm s LEU 130 Ca 0.03 -0.53 0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1upm s LEU 130 Cb 0.02 -1.61 -0.23 0.00 0.03 0.00 0.00 46.19 44.40 1upm s LEU 130 CO 0.06 0.17 0.47 0.54 0.23 0.00 0.00 176.35 177.82 1upm n ARG 131 N 0.72 0.65 -3.55 1.70 1.74 0.70 -4.73 116.66 113.90 1upm n ARG 131 Ca -0.15 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 1upm n ARG 131 Cb 0.53 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1upm n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1upm s ALA 132 N -2.62 -1.86 -0.12 7.54 0.00 -1.08 -5.03 121.76 118.59 1upm s ALA 132 Ca -0.06 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.23 1upm s ALA 132 Cb 0.08 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1upm s ALA 132 CO 0.83 -0.37 0.31 -1.17 0.00 0.00 0.00 175.76 175.36 1upm s LEU 133 N -1.28 0.58 -0.06 0.00 2.96 -1.22 -1.73 118.68 117.95 1upm s LEU 133 Ca -0.04 0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1upm s LEU 133 Cb -0.00 1.02 0.03 0.00 0.50 0.00 0.00 46.19 47.73 1upm s LEU 133 CO 0.03 -0.13 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.32 1upm s ARG 134 N 0.63 0.59 -0.30 1.98 3.52 -0.74 -1.26 118.95 123.36 1upm s ARG 134 Ca -0.04 0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.36 1upm s ARG 134 Cb -0.05 -0.84 0.01 0.00 -1.56 0.00 0.00 34.95 32.51 1upm s ARG 134 CO -0.04 -0.22 0.94 -1.17 -0.81 0.00 0.00 175.30 174.00 1upm s LEU 135 N 1.55 4.02 -0.12 -0.88 2.96 0.08 -0.58 118.68 125.71 1upm s LEU 135 Ca -0.02 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1upm s LEU 135 Cb -0.13 -3.33 -0.24 0.00 0.50 0.00 0.00 46.19 42.99 1upm s LEU 135 CO -0.03 -0.73 0.37 -0.62 -1.32 0.00 0.00 176.35 174.02 1upm n GLU 136 N 6.49 0.70 -3.60 1.98 -0.58 -0.32 -1.02 120.64 124.28 1upm n GLU 136 Ca 0.08 0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.97 1upm n GLU 136 Cb 0.47 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 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 -6.49 -0.40 -0.01 1.62 -1.08 -1.23 -4.61 116.67 104.47 1upm s ASP 137 Ca -0.16 -0.22 -0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1upm s ASP 137 Cb 0.07 0.58 0.01 0.00 -1.46 0.00 0.00 42.92 42.12 1upm s ASP 137 CO 0.77 -1.00 0.01 -0.76 0.52 0.00 0.00 175.17 174.72 1upm s LEU 138 N -2.77 1.76 -0.47 -1.34 1.43 -1.26 -2.36 118.68 113.66 1upm s LEU 138 Ca 0.06 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 1upm s LEU 138 Cb -0.02 0.00 0.06 0.00 0.03 0.00 0.00 46.19 46.25 1upm s LEU 138 CO -0.05 -0.03 0.46 -0.60 0.23 0.00 0.00 176.35 176.36 1upm s ARG 139 N 0.26 3.04 -0.37 1.70 3.00 0.11 -4.93 118.95 121.75 1upm s ARG 139 Ca -0.02 -1.10 -0.19 0.00 -1.00 0.00 0.00 55.73 53.42 1upm s ARG 139 Cb -0.03 -4.09 0.00 0.00 0.00 0.00 0.00 34.95 30.84 1upm s ARG 139 CO -0.01 -1.04 0.55 0.42 0.00 0.00 0.00 175.30 175.22 1upm s ILE 140 N 2.01 4.97 0.59 4.11 1.01 -1.26 -2.41 121.20 130.22 1upm s ILE 140 Ca 0.09 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 1upm s ILE 140 Cb -0.21 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1upm s ILE 140 CO 0.09 -0.32 1.28 -2.16 0.00 0.00 0.00 174.94 173.84 1upm s PRO 141 N 2.49 2.92 0.40 2.79 0.04 -1.26 -4.69 135.00 137.69 1upm s PRO 141 Ca 0.20 2.02 0.13 0.00 0.04 0.00 0.00 61.00 63.39 1upm s PRO 141 Cb -0.15 -2.02 0.82 0.00 0.04 0.00 0.00 34.50 33.19 1upm s PRO 141 CO 0.15 -1.30 1.89 -0.39 0.04 0.00 0.00 177.00 177.39 1upm h VAL 142 N 0.99 1.21 -0.16 -0.36 -1.51 -1.85 -1.33 116.25 113.25 1upm h VAL 142 Ca -0.51 -1.01 -0.04 0.00 -1.23 0.00 0.00 66.70 63.91 1upm h VAL 142 Cb 1.31 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 1upm h VAL 142 CO 0.55 0.29 -0.09 0.00 -1.23 0.00 0.00 177.57 177.09 1upm h ALA 143 N 1.70 1.55 0.12 5.19 0.00 -1.92 -2.13 119.26 123.77 1upm h ALA 143 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 1upm h ALA 143 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1upm h ALA 143 CO 0.04 0.32 -1.23 -0.92 0.00 0.00 0.00 179.25 177.46 1upm h TYR 144 N 0.24 0.48 -1.00 0.00 3.20 -1.68 -3.33 116.97 114.88 1upm h TYR 144 Ca 0.05 -0.35 0.09 0.00 3.14 0.00 0.00 58.73 61.66 1upm h TYR 144 Cb 0.32 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1upm h TYR 144 CO 0.01 1.27 0.64 0.28 -1.64 0.00 0.00 178.16 178.72 1upm h VAL 145 N 0.07 1.02 0.00 1.81 2.07 -0.84 -1.93 116.25 118.45 1upm h VAL 145 Ca -0.13 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1upm h VAL 145 Cb 1.96 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1upm h VAL 145 CO 0.20 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.28 1upm n LYS 146 N -4.55 0.16 -0.01 1.57 4.76 -0.84 -2.18 118.16 117.07 1upm n LYS 146 Ca 0.17 0.43 0.06 0.00 -2.87 0.00 0.00 58.31 56.10 1upm n LYS 146 Cb 0.26 -1.83 0.36 0.00 -1.84 0.00 0.00 35.03 31.99 1upm n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1upm n THR 147 N -2.13 0.02 -4.42 -0.18 -2.24 -0.73 -4.89 114.28 99.72 1upm n THR 147 Ca 0.02 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 1upm n THR 147 Cb 0.19 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.98 2.18 0.04 4.78 0.08 -0.93 -3.27 117.98 118.89 1upm s PHE 148 Ca 0.20 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.78 1upm s PHE 148 Cb 0.09 -1.04 -0.31 0.00 -0.57 0.00 0.00 43.02 41.19 1upm s PHE 148 CO 0.15 0.52 1.03 0.37 -0.10 0.00 0.00 175.22 177.20 1upm h GLN 149 N 2.92 0.36 0.00 0.44 4.15 -1.87 -3.51 115.11 117.61 1upm h GLN 149 Ca -0.43 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.36 1upm h GLN 149 Cb 1.22 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1upm h GLN 149 CO 0.52 1.28 0.00 0.41 -1.93 0.00 0.00 178.83 179.12 1upm n GLY 150 N 1.63 -1.51 3.59 2.39 0.00 -0.82 -4.86 105.19 105.62 1upm n GLY 150 Ca -0.13 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.25 0.93 -0.18 1.61 -0.02 -1.25 -4.25 135.00 131.59 1upm n PRO 151 Ca 0.00 0.35 -0.07 0.00 -2.02 0.00 0.00 63.50 61.76 1upm n PRO 151 Cb 0.00 -2.08 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 0.65 0.71 0.00 0.52 0.11 -1.84 -3.42 132.00 128.72 1upm h PRO 152 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1upm h PRO 152 Cb 1.36 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1upm h PRO 152 CO 0.51 0.50 -0.01 0.72 -0.21 0.00 0.00 178.00 179.52 1upm n HIS 153 N -4.69 0.00 0.00 0.65 8.25 -1.26 -4.69 115.22 113.48 1upm n HIS 153 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1upm n HIS 153 Cb 0.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 3.49 -0.31 0.12 -1.41 0.00 -1.26 -4.54 105.19 101.28 1upm n GLY 154 Ca -0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1upm n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upm h ILE 155 N 0.00 0.80 0.17 -0.61 2.04 -1.67 -1.59 117.51 116.64 1upm h ILE 155 Ca 0.00 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1upm h ILE 155 Cb 0.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1upm h ILE 155 CO 0.00 0.01 -0.13 -0.61 0.00 0.00 0.00 178.15 177.42 1upm h GLN 156 N 0.06 -0.29 -0.49 2.37 4.15 -1.88 -2.53 115.11 116.49 1upm h GLN 156 Ca 0.12 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1upm h GLN 156 Cb 0.17 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1upm h GLN 156 CO -0.22 -0.20 0.22 0.28 -1.93 0.00 0.00 178.83 176.98 1upm h VAL 157 N -0.30 1.20 -0.27 2.39 2.07 -1.77 -1.98 116.25 117.58 1upm h VAL 157 Ca -0.01 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1upm h VAL 157 Cb 0.27 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1upm h VAL 157 CO -0.01 0.23 -0.06 -0.08 0.02 0.00 0.00 177.57 177.67 1upm h GLU 158 N 0.65 0.01 -0.58 1.57 4.81 -1.28 0.42 114.58 120.18 1upm h GLU 158 Ca 0.17 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1upm h GLU 158 Cb 0.16 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1upm h GLU 158 CO -0.02 0.01 0.30 0.00 -0.73 0.00 0.00 179.01 178.57 1upm h ARG 159 N 0.01 0.81 -0.26 1.92 3.08 -1.24 -2.00 114.38 116.70 1upm h ARG 159 Ca 0.13 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1upm h ARG 159 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1upm h ARG 159 CO -0.28 0.61 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.55 1upm h ASP 160 N 0.81 0.67 -0.75 7.04 3.32 -0.53 0.11 116.42 127.08 1upm h ASP 160 Ca 0.21 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1upm h ASP 160 Cb 0.05 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 1upm h ASP 160 CO -0.03 0.99 0.45 0.11 -1.72 0.00 0.00 179.24 179.05 1upm h LYS 161 N 0.35 0.82 -0.01 3.56 1.79 -0.03 -3.07 116.57 119.99 1upm h LYS 161 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1upm h LYS 161 Cb 0.80 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1upm h LYS 161 CO 0.06 0.54 -0.45 1.28 -1.08 0.00 0.00 179.45 179.81 1upm n LEU 162 N -4.68 1.12 -3.40 2.94 4.77 -0.77 -4.95 117.00 112.02 1upm n LEU 162 Ca 0.10 -0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 55.50 1upm n LEU 162 Cb 0.14 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1upm n LEU 162 CO 0.31 0.22 0.18 -3.20 -1.33 0.00 0.00 177.39 173.57 1upm n ASN 163 N -0.80 -6.29 -4.12 -1.43 4.05 -0.02 -4.66 115.26 101.98 1upm n ASN 163 Ca 0.09 -0.47 -0.33 0.00 0.45 0.00 0.00 54.58 54.33 1upm n ASN 163 Cb 0.37 -4.97 -0.16 0.00 1.23 0.00 0.00 39.78 36.25 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 -6.14 2.81 -0.01 1.20 1.02 -0.91 -5.03 119.74 112.69 1upm s LYS 164 Ca 0.51 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 1upm s LYS 164 Cb -0.22 -2.69 -0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1upm s LYS 164 CO 0.63 -0.31 0.03 0.71 -0.92 0.00 0.00 175.35 175.49 1upm s TYR 165 N 1.25 0.04 0.00 3.18 2.02 -1.26 -4.70 117.35 117.88 1upm s TYR 165 Ca 0.01 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1upm s TYR 165 Cb -0.15 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.37 1upm s TYR 165 CO -0.10 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 1upm n GLY 166 N 2.60 0.66 3.58 0.71 0.00 -1.26 -5.03 105.19 106.44 1upm n GLY 166 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.01 0.59 0.52 1.61 1.70 -1.26 -5.03 118.95 116.06 1upm s ARG 167 Ca 0.00 0.14 -0.20 0.00 -0.47 0.00 0.00 55.73 55.19 1upm s ARG 167 Cb 0.00 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.58 1upm s ARG 167 CO 0.00 -0.18 0.82 -2.30 -1.08 0.00 0.00 175.30 172.56 1upm n PRO 168 N 0.71 0.89 -2.44 3.89 -0.02 -1.02 -4.77 135.00 132.25 1upm n PRO 168 Ca -0.10 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1upm n PRO 168 Cb 0.58 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1upm n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upm s LEU 169 N -0.50 3.58 -0.12 2.45 1.43 -0.51 -4.93 118.68 120.08 1upm s LEU 169 Ca 0.69 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1upm s LEU 169 Cb -0.48 -4.25 -0.00 0.00 0.03 0.00 0.00 46.19 41.49 1upm s LEU 169 CO 0.53 -0.60 -0.19 -0.76 0.23 0.00 0.00 176.35 175.56 1upm s LEU 170 N -4.40 2.36 0.00 1.79 1.43 -1.26 -0.54 118.68 118.06 1upm s LEU 170 Ca 0.54 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1upm s LEU 170 Cb -0.10 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1upm s LEU 170 CO 0.39 0.14 0.02 0.61 0.23 0.00 0.00 176.35 177.74 1upm n GLY 171 N 3.66 4.01 3.19 -3.19 0.00 -0.38 -1.45 105.19 111.02 1upm n GLY 171 Ca -0.19 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 2.34 4.74 0.30 0.00 2.01 -1.26 -4.30 115.64 119.46 1upm s THR 173 Ca -0.02 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 1upm s THR 173 Cb -0.03 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1upm s THR 173 CO -0.14 0.32 1.22 -0.63 -0.69 0.00 0.00 174.62 174.70 1upm s ILE 174 N 0.15 3.08 0.54 1.82 -1.09 -1.26 -4.35 121.20 120.08 1upm s ILE 174 Ca 0.41 1.07 0.03 0.00 -2.23 0.00 0.00 60.65 59.93 1upm s ILE 174 Cb -0.21 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1upm s ILE 174 CO 0.24 0.25 0.20 -0.54 -1.23 0.00 0.00 174.94 173.86 1upm s LYS 175 N -1.54 2.23 0.00 2.79 -0.14 -1.26 -4.38 119.74 117.44 1upm s LYS 175 Ca 0.47 -2.24 0.00 0.00 -1.36 0.00 0.00 55.97 52.85 1upm s LYS 175 Cb -0.36 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1upm s LYS 175 CO 0.47 -0.51 0.00 -2.30 -0.76 0.00 0.00 175.35 172.25 1upm n PRO 176 N -1.53 0.00 -0.25 -1.68 -0.01 -1.26 -4.97 135.00 125.30 1upm n PRO 176 Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.32 1upm n PRO 176 Cb 0.66 -0.07 0.00 0.00 -0.01 0.00 0.00 33.50 34.08 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 2.71 -0.13 -5.82 -0.52 1.57 -2.00 -3.43 116.57 108.95 1upm h LYS 177 Ca 0.00 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.29 1upm h LYS 177 Cb 0.00 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.17 1upm h LYS 177 CO 0.00 -0.09 -0.77 -0.51 -0.57 0.00 0.00 179.45 177.51 1upm s LEU 178 N -10.72 2.46 0.00 2.94 1.43 -1.26 -4.64 118.68 108.89 1upm s LEU 178 Ca -0.14 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1upm s LEU 178 Cb 0.16 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1upm s LEU 178 CO 0.69 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.81 1upm n GLY 179 N 0.16 0.12 3.83 -3.19 0.00 -1.26 -5.09 105.19 99.76 1upm n GLY 179 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 3.93 0.61 0.99 1.43 -1.26 -5.02 118.68 119.36 1upm s LEU 180 Ca 0.00 1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 1upm s LEU 180 Cb 0.00 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 1upm s LEU 180 CO 0.00 -0.35 1.00 -0.94 0.23 0.00 0.00 176.35 176.29 1upm s SER 181 N -2.34 6.09 0.24 2.29 1.04 -1.26 -4.46 113.70 115.30 1upm s SER 181 Ca 0.60 1.28 -0.06 0.00 0.48 0.00 0.00 55.95 58.24 1upm s SER 181 Cb -0.09 -2.33 0.44 0.00 0.10 0.00 0.00 66.02 64.14 1upm s SER 181 CO 0.17 -0.91 1.66 0.00 0.98 0.00 0.00 173.24 175.14 1upm h ALA 182 N -0.29 0.85 -0.17 5.32 0.00 -1.92 -0.16 119.26 122.89 1upm h ALA 182 Ca -0.45 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1upm h ALA 182 Cb 1.20 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1upm h ALA 182 CO 0.62 -0.39 -0.50 -0.22 0.00 0.00 0.00 179.25 178.77 1upm h LYS 183 N 0.18 0.46 -0.17 0.00 3.64 -1.94 -2.86 116.57 115.87 1upm h LYS 183 Ca 0.40 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 1upm h LYS 183 Cb 0.70 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1upm h LYS 183 CO -0.57 0.85 -0.53 -0.91 -2.27 0.00 0.00 179.45 176.02 1upm h ASN 184 N 0.36 0.55 -0.52 4.20 -0.26 -1.81 -1.32 115.58 116.78 1upm h ASN 184 Ca 0.02 -0.28 0.10 0.00 -0.56 0.00 0.00 56.30 55.58 1upm h ASN 184 Cb 1.00 -0.16 -0.10 0.00 -1.06 0.00 0.00 38.32 38.00 1upm h ASN 184 CO 0.09 0.97 -0.17 0.22 -1.06 0.00 0.00 177.43 177.48 1upm h TYR 185 N 0.39 -0.39 0.00 1.19 3.20 -0.96 -1.41 116.97 118.99 1upm h TYR 185 Ca 0.01 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 1upm h TYR 185 Cb 1.05 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1upm h TYR 185 CO 0.04 -0.26 -0.88 0.78 -1.64 0.00 0.00 178.16 176.20 1upm h GLY 186 N -0.05 0.21 0.91 1.82 0.00 -1.35 0.21 103.07 104.81 1upm h GLY 186 Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1upm h GLY 186 CO -0.56 0.33 0.43 -0.09 0.00 0.00 0.00 176.54 176.65 1upm h ARG 187 N 0.10 0.82 -0.33 4.80 2.43 -0.93 0.26 114.38 121.53 1upm h ARG 187 Ca -0.04 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1upm h ARG 187 Cb 1.51 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1upm h ARG 187 CO 0.13 0.54 -0.09 0.00 -1.51 0.00 0.00 179.97 179.05 1upm h ALA 188 N 1.28 0.46 -0.98 2.80 0.00 -0.86 -2.75 119.26 119.20 1upm h ALA 188 Ca 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 188 Cb -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1upm h ALA 188 CO -0.09 0.31 0.65 -0.39 0.00 0.00 0.00 179.25 179.73 1upm h VAL 189 N 0.43 1.24 0.11 0.00 -1.51 -0.52 -1.82 116.25 114.18 1upm h VAL 189 Ca 0.08 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 1upm h VAL 189 Cb 0.60 -0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.56 1upm h VAL 189 CO 0.04 0.24 -0.05 0.22 -1.23 0.00 0.00 177.57 176.78 1upm h TYR 190 N 1.32 -0.14 -0.41 5.19 3.20 -0.87 -1.35 116.97 123.91 1upm h TYR 190 Ca 0.36 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 1upm h TYR 190 Cb -0.13 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1upm h TYR 190 CO -0.00 0.02 0.12 0.93 -1.64 0.00 0.00 178.16 177.59 1upm h GLU 191 N -0.27 0.60 -0.01 1.82 4.39 -1.34 -1.74 114.58 118.03 1upm h GLU 191 Ca -0.02 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1upm h GLU 191 Cb 0.22 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1upm h GLU 191 CO 0.02 0.53 -0.00 0.00 -1.16 0.00 0.00 179.01 178.41 1upm h LEU 193 N -0.29 0.33 -0.67 0.00 3.38 -1.07 -2.86 115.31 114.12 1upm h LEU 193 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1upm h LEU 193 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1upm h LEU 193 CO 0.00 0.56 0.00 0.08 0.09 0.00 0.00 178.44 179.17 1upm h ARG 194 N 0.31 0.00 -0.01 1.13 0.11 -1.38 -2.76 114.38 111.78 1upm h ARG 194 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1upm h ARG 194 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 1upm h ARG 194 CO 0.04 0.00 -0.22 0.41 0.10 0.00 0.00 179.97 180.30 1upm n GLY 195 N 0.46 -0.45 0.00 0.08 0.00 -1.08 -4.91 105.19 99.29 1upm n GLY 195 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.31 0.26 3.78 -0.02 0.00 -1.04 -2.27 105.19 107.21 1upm n GLY 196 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 4.18 0.14 0.99 1.43 -1.25 -4.84 118.68 119.34 1upm s LEU 197 Ca 0.00 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 1upm s LEU 197 Cb 0.00 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 1upm s LEU 197 CO 0.00 -0.52 1.32 0.44 0.23 0.00 0.00 176.35 177.83 1upm h ASP 198 N 2.63 0.20 -5.05 2.29 3.32 -1.69 -3.43 116.42 114.68 1upm h ASP 198 Ca -0.48 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.24 1upm h ASP 198 Cb 1.22 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1upm h ASP 198 CO 0.63 1.04 -0.68 -0.36 -1.72 0.00 0.00 179.24 178.15 1upm s PHE 199 N -2.99 0.32 0.00 4.55 0.08 -0.53 -1.77 117.98 117.64 1upm s PHE 199 Ca -0.02 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1upm s PHE 199 Cb 0.10 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.31 1upm s PHE 199 CO 0.83 -0.25 0.00 0.25 -0.10 0.00 0.00 175.22 175.95 1upm n THR 200 N 1.16 0.00 -2.12 0.64 -2.24 -1.08 -3.17 114.28 107.47 1upm n THR 200 Ca -0.21 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1upm n THR 200 Cb 0.57 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.84 6.78 0.63 3.42 1.01 -0.75 -1.43 116.67 127.16 1upm s ASP 202 Ca 0.00 2.68 -0.18 0.00 0.71 0.00 0.00 52.55 55.75 1upm s ASP 202 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1upm s ASP 202 CO 0.00 -0.53 1.26 -0.62 0.21 0.00 0.00 175.17 175.49 1upm s ASP 203 N -0.44 4.82 0.48 0.27 -1.08 -1.26 -4.90 116.67 114.56 1upm s ASP 203 Ca 0.49 2.54 0.19 0.00 -0.52 0.00 0.00 52.55 55.25 1upm s ASP 203 Cb -0.40 -2.61 1.20 0.00 -1.46 0.00 0.00 42.92 39.65 1upm s ASP 203 CO 0.52 -1.85 1.99 1.05 0.52 0.00 0.00 175.17 177.40 1upm h GLU 204 N 0.68 0.21 -0.01 4.34 9.09 -1.98 -0.03 114.58 126.88 1upm h GLU 204 Ca -0.51 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1upm h GLU 204 Cb 1.32 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1upm h GLU 204 CO 0.54 0.14 -0.47 0.27 0.05 0.00 0.00 179.01 179.54 1upm n ASN 205 N -4.44 1.44 -4.57 3.06 6.94 -1.26 -4.79 115.26 111.64 1upm n ASN 205 Ca 0.10 -1.14 -0.41 0.00 -0.02 0.00 0.00 54.58 53.11 1upm n ASN 205 Cb 0.47 0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 38.28 1upm n ASN 205 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1upm s VAL 206 N -2.59 3.56 0.00 3.53 -7.23 -0.03 -4.84 120.40 112.80 1upm s VAL 206 Ca 0.18 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1upm s VAL 206 Cb 0.18 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 33.02 1upm s VAL 206 CO 0.60 -0.94 0.00 0.59 -0.31 0.00 0.00 175.10 175.05 1upm n ASN 207 N 10.88 0.00 -3.83 4.85 5.03 -1.26 -4.77 115.26 126.16 1upm n ASN 207 Ca 0.17 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.43 1upm n ASN 207 Cb 0.50 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.21 0.92 0.23 6.41 0.15 -1.26 -4.26 113.70 116.10 1upm s SER 208 Ca 0.00 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 1upm s SER 208 Cb 0.00 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1upm s SER 208 CO 0.00 -0.11 0.26 -1.10 1.20 0.00 0.00 173.24 173.49 1upm s GLN 209 N 1.25 1.38 0.47 5.44 1.11 -0.71 -4.92 119.66 123.69 1upm s GLN 209 Ca -0.06 -1.56 0.17 0.00 0.01 0.00 0.00 55.36 53.92 1upm s GLN 209 Cb -0.13 0.34 1.16 0.00 -1.01 0.00 0.00 33.01 33.36 1upm s GLN 209 CO -0.02 -0.51 2.01 -1.35 0.01 0.00 0.00 175.29 175.43 1upm h PRO 210 N 2.45 0.24 0.00 2.91 0.11 -2.02 -1.11 132.00 134.59 1upm h PRO 210 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1upm h PRO 210 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1upm h PRO 210 CO 0.46 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1upm h PHE 211 N 0.25 0.00 -0.60 0.65 -5.15 -1.96 -3.45 116.94 106.68 1upm h PHE 211 Ca 0.23 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 58.18 1upm h PHE 211 Cb 0.58 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.54 1upm h PHE 211 CO -0.00 0.00 -0.03 1.41 -2.00 0.00 0.00 178.31 177.69 1upm s MET 212 N -3.15 0.34 0.27 6.09 0.00 -0.42 -4.28 119.30 118.15 1upm s MET 212 Ca 0.09 0.61 -0.14 0.00 0.00 0.00 0.00 55.69 56.25 1upm s MET 212 Cb 0.09 0.34 -0.08 0.00 0.00 0.00 0.00 34.83 35.18 1upm s MET 212 CO 0.62 -0.37 0.67 1.03 0.00 0.00 0.00 175.02 176.96 1upm s ARG 213 N 2.92 3.98 0.15 4.11 1.81 -1.22 -1.74 118.95 128.95 1upm s ARG 213 Ca 0.08 0.57 -0.15 0.00 -1.72 0.00 0.00 55.73 54.51 1upm s ARG 213 Cb -0.12 -2.59 0.02 0.00 -0.45 0.00 0.00 34.95 31.81 1upm s ARG 213 CO -0.15 0.26 1.78 0.11 -0.68 0.00 0.00 175.30 176.61 1upm h TRP 214 N 2.59 0.59 -0.39 -0.53 5.08 -1.91 -2.98 115.95 118.40 1upm h TRP 214 Ca -0.48 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.48 1upm h TRP 214 Cb 1.18 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 1upm h TRP 214 CO 0.62 0.43 0.20 -0.09 -1.28 0.00 0.00 178.44 178.32 1upm h ARG 215 N 0.58 0.56 -0.80 0.12 2.43 -1.95 0.54 114.38 115.87 1upm h ARG 215 Ca 0.16 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 1upm h ARG 215 Cb 0.01 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.37 1upm h ARG 215 CO -0.03 0.47 0.37 -0.44 -1.51 0.00 0.00 179.97 178.84 1upm h ASP 216 N 0.50 0.41 -0.00 -3.80 3.32 -1.98 -2.35 116.42 112.52 1upm h ASP 216 Ca 0.14 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1upm h ASP 216 Cb 0.09 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1upm h ASP 216 CO -0.02 0.17 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.58 1upm h ARG 217 N 0.54 0.01 -0.81 3.56 2.43 -1.03 -2.41 114.38 116.66 1upm h ARG 217 Ca 0.44 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.80 1upm h ARG 217 Cb 0.64 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.07 1upm h ARG 217 CO -0.38 0.41 0.24 0.74 -1.51 0.00 0.00 179.97 179.47 1upm h PHE 218 N -0.40 0.37 -0.06 2.20 -1.00 -0.81 0.12 116.94 117.36 1upm h PHE 218 Ca 0.00 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1upm h PHE 218 Cb 0.41 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 1upm h PHE 218 CO 0.07 -0.11 0.00 1.25 -1.61 0.00 0.00 178.31 177.91 1upm h LEU 219 N 0.29 0.10 -0.93 1.54 6.46 -1.39 -0.08 115.31 121.30 1upm h LEU 219 Ca 0.48 -0.29 -0.11 0.00 -0.12 0.00 0.00 57.88 57.85 1upm h LEU 219 Cb 0.88 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1upm h LEU 219 CO -0.55 0.36 -0.38 -0.26 -0.62 0.00 0.00 178.44 176.99 1upm h PHE 220 N -0.17 0.36 -0.12 1.25 0.04 -1.10 -2.44 116.94 114.77 1upm h PHE 220 Ca 0.02 -0.09 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 1upm h PHE 220 Cb 0.31 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1upm h PHE 220 CO 0.02 0.65 -0.53 0.00 -0.60 0.00 0.00 178.31 177.85 1upm h ALA 222 N 1.18 0.45 -0.46 0.00 0.00 -0.78 -0.29 119.26 119.36 1upm h ALA 222 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 222 Cb 1.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1upm h ALA 222 CO 0.09 -0.05 0.25 1.49 0.00 0.00 0.00 179.25 181.03 1upm h GLU 223 N 0.46 0.48 -0.37 0.00 4.81 -1.25 -2.33 114.58 116.39 1upm h GLU 223 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1upm h GLU 223 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1upm h GLU 223 CO -0.02 0.32 0.13 0.00 -0.73 0.00 0.00 179.01 178.70 1upm h ALA 224 N 1.22 0.48 -0.65 2.92 0.00 -1.15 -2.11 119.26 119.98 1upm h ALA 224 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 224 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1upm h ALA 224 CO -0.11 0.11 0.15 1.37 0.00 0.00 0.00 179.25 180.77 1upm h LEU 225 N 0.45 0.99 -1.17 0.00 8.10 -0.92 -1.99 115.31 120.77 1upm h LEU 225 Ca 0.12 -0.24 -0.06 0.00 0.11 0.00 0.00 57.88 57.81 1upm h LEU 225 Cb 0.23 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.18 1upm h LEU 225 CO -0.01 0.97 -0.06 1.88 -4.11 0.00 0.00 178.44 177.11 1upm h TYR 226 N 0.96 0.53 -0.37 0.17 0.05 -1.39 0.11 116.97 117.03 1upm h TYR 226 Ca 0.20 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.81 1upm h TYR 226 Cb 0.37 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1upm h TYR 226 CO 0.03 0.57 -0.22 -0.22 -1.05 0.00 0.00 178.16 177.26 1upm h LYS 227 N 0.48 0.72 -0.14 4.88 3.64 -0.86 -2.20 116.57 123.08 1upm h LYS 227 Ca 0.10 -0.28 -0.22 0.00 -1.27 0.00 0.00 60.65 58.97 1upm h LYS 227 Cb 0.41 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1upm h LYS 227 CO 0.02 0.88 -0.78 0.00 -2.27 0.00 0.00 179.45 177.30 1upm h ALA 228 N 1.12 0.29 -0.96 5.00 0.00 -0.65 -2.36 119.26 121.71 1upm h ALA 228 Ca 0.09 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1upm h ALA 228 Cb 0.71 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1upm h ALA 228 CO 0.05 0.66 0.60 0.37 0.00 0.00 0.00 179.25 180.94 1upm h GLN 229 N 0.51 0.99 -0.02 0.00 4.15 -0.71 -2.01 115.11 118.03 1upm h GLN 229 Ca -0.06 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.09 1upm h GLN 229 Cb 1.41 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1upm h GLN 229 CO 0.16 0.65 -0.90 0.00 -1.93 0.00 0.00 178.83 176.82 1upm h ALA 230 N 1.48 0.40 -0.52 3.38 0.00 -1.27 -0.17 119.26 122.56 1upm h ALA 230 Ca 0.45 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1upm h ALA 230 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1upm h ALA 230 CO -0.22 0.80 0.01 1.49 0.00 0.00 0.00 179.25 181.33 1upm h GLU 231 N 0.25 0.92 0.03 0.00 4.81 -1.19 -3.34 114.58 116.06 1upm h GLU 231 Ca -0.07 -0.29 -0.32 0.00 -0.13 0.00 0.00 59.36 58.56 1upm h GLU 231 Cb 1.52 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.77 1upm h GLU 231 CO 0.16 0.93 -1.88 0.25 -0.73 0.00 0.00 179.01 177.74 1upm n THR 232 N -4.30 1.62 -0.74 0.32 -2.24 -0.78 -4.99 114.28 103.17 1upm n THR 232 Ca 0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1upm n THR 232 Cb 0.32 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 1.70 0.58 3.30 3.38 0.00 -0.08 -5.07 105.19 109.00 1upm n GLY 233 Ca -0.23 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1upm n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 234 N -0.93 1.52 0.31 1.61 2.02 -1.24 -5.07 118.70 116.92 1upm s GLU 234 Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 1upm s GLU 234 Cb 0.00 -1.69 -0.10 0.00 0.10 0.00 0.00 34.13 32.44 1upm s GLU 234 CO 0.00 0.43 1.34 0.42 0.02 0.00 0.00 175.26 177.47 1upm s ILE 235 N -0.84 2.70 0.12 -1.63 1.01 -1.26 -4.52 121.20 116.78 1upm s ILE 235 Ca 0.09 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.51 1upm s ILE 235 Cb -0.09 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1upm s ILE 235 CO 0.02 0.15 -0.22 -0.54 0.00 0.00 0.00 174.94 174.35 1upm s LYS 236 N -1.50 1.23 0.08 2.79 -0.14 -1.26 -4.88 119.74 116.06 1upm s LYS 236 Ca 0.51 -1.26 0.02 0.00 -1.36 0.00 0.00 55.97 53.88 1upm s LYS 236 Cb -0.40 -1.53 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1upm s LYS 236 CO 0.51 0.35 -0.06 0.20 -0.76 0.00 0.00 175.35 175.59 1upm s GLY 237 N -2.08 0.67 -0.10 -3.33 0.00 -0.73 -4.79 107.32 96.97 1upm s GLY 237 Ca 0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 1upm s GLY 237 CO 0.05 -1.29 -0.03 -1.58 0.00 0.00 0.00 173.10 170.25 1upm s HIS 238 N -3.13 1.05 -0.53 1.90 2.46 -1.26 -2.63 115.29 113.15 1upm s HIS 238 Ca 0.06 -0.46 -0.27 0.00 0.47 0.00 0.00 55.06 54.85 1upm s HIS 238 Cb 0.02 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.45 1upm s HIS 238 CO -0.04 -0.43 1.74 0.71 -2.47 0.00 0.00 174.74 174.25 1upm s TYR 239 N 1.85 1.85 -0.09 3.88 2.02 -0.51 -4.75 117.35 121.59 1upm s TYR 239 Ca 0.05 0.67 -0.28 0.00 -0.37 0.00 0.00 57.07 57.14 1upm s TYR 239 Cb -0.13 -4.17 -0.02 0.00 -0.40 0.00 0.00 41.96 37.24 1upm s TYR 239 CO -0.07 -2.38 0.92 -0.51 -1.57 0.00 0.00 175.55 171.94 1upm s LEU 240 N 7.80 4.26 -0.09 -1.29 1.43 -1.21 -1.81 118.68 127.77 1upm s LEU 240 Ca 0.67 1.43 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 1upm s LEU 240 Cb -0.15 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1upm s LEU 240 CO 0.25 -0.35 0.84 0.21 0.23 0.00 0.00 176.35 177.52 1upm s ASN 241 N 1.05 7.09 0.00 2.29 3.04 -1.26 -1.53 114.94 125.62 1upm s ASN 241 Ca 0.45 1.33 0.22 0.00 0.04 0.00 0.00 52.86 54.90 1upm s ASN 241 Cb -0.18 -2.48 0.04 0.00 -1.54 0.00 0.00 41.25 37.09 1upm s ASN 241 CO 0.19 -0.28 1.11 0.00 -3.04 0.00 0.00 177.10 175.07 1upm n ALA 242 N 4.44 3.22 -1.71 1.71 0.00 -0.71 -4.93 120.51 122.52 1upm n ALA 242 Ca 0.03 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1upm n ALA 242 Cb 0.50 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 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 0.35 1.75 -3.84 0.00 -1.04 -1.26 -4.30 114.28 105.94 1upm n THR 243 Ca 0.10 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.05 61.62 1upm n THR 243 Cb 0.49 -1.67 0.01 0.00 -1.82 0.00 0.00 70.33 67.34 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 -0.84 -1.24 0.21 2.41 0.00 -1.26 -4.81 121.76 116.24 1upm s ALA 244 Ca 0.58 -0.45 0.12 0.00 0.00 0.00 0.00 51.96 52.20 1upm s ALA 244 Cb -0.56 0.72 0.32 0.00 0.00 0.00 0.00 23.12 23.60 1upm s ALA 244 CO 0.59 -1.03 1.58 0.78 0.00 0.00 0.00 175.76 177.68 1upm h GLY 245 N 2.00 0.00 -3.12 0.00 0.00 -1.96 -3.46 103.07 96.53 1upm h GLY 245 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.81 1upm h GLY 245 CO 0.36 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.69 1upm s THR 246 N -3.45 0.74 0.25 4.70 -4.23 -1.26 -5.05 115.64 107.34 1upm s THR 246 Ca -0.00 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1upm s THR 246 Cb 0.12 -1.63 0.26 0.00 1.34 0.00 0.00 72.50 72.58 1upm s THR 246 CO 0.76 -0.82 1.91 0.00 -0.54 0.00 0.00 174.62 175.92 1upm h GLU 248 N 1.26 0.25 -0.62 0.00 3.07 -1.99 0.13 114.58 116.69 1upm h GLU 248 Ca 0.39 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 1upm h GLU 248 Cb -0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1upm h GLU 248 CO -0.12 0.17 0.12 -0.44 -1.40 0.00 0.00 179.01 177.34 1upm h ASP 249 N 0.26 0.97 -0.13 1.42 5.19 -1.93 -1.23 116.42 120.96 1upm h ASP 249 Ca 0.19 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1upm h ASP 249 Cb 0.20 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1upm h ASP 249 CO -0.22 0.97 0.06 -0.03 -3.12 0.00 0.00 179.24 176.89 1upm h MET 250 N 0.92 0.19 -0.90 3.56 4.05 -1.11 -2.88 114.93 118.76 1upm h MET 250 Ca 0.19 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1upm h MET 250 Cb 0.40 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1upm h MET 250 CO 0.01 0.26 0.58 0.52 0.23 0.00 0.00 176.91 178.51 1upm h MET 251 N 0.08 1.09 -0.80 0.39 2.86 -0.52 -2.32 114.93 115.71 1upm h MET 251 Ca 0.04 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1upm h MET 251 Cb 0.13 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1upm h MET 251 CO -0.01 0.72 0.52 0.87 1.06 0.00 0.00 176.91 180.08 1upm h LYS 252 N 1.13 0.77 0.03 1.72 1.57 -1.03 -0.47 116.57 120.29 1upm h LYS 252 Ca 0.36 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.82 1upm h LYS 252 Cb 0.02 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.17 1upm h LYS 252 CO -0.12 0.51 -1.08 0.00 -0.57 0.00 0.00 179.45 178.18 1upm h ARG 253 N 0.79 0.66 -0.66 3.15 3.08 -1.24 -2.57 114.38 117.60 1upm h ARG 253 Ca 0.36 -0.75 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1upm h ARG 253 Cb 0.35 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1upm h ARG 253 CO -0.13 1.32 0.38 0.00 -1.07 0.00 0.00 179.97 180.47 1upm h ALA 254 N 0.41 0.84 -0.71 0.04 0.00 -1.03 -2.17 119.26 116.64 1upm h ALA 254 Ca -0.14 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1upm h ALA 254 Cb 1.74 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1upm h ALA 254 CO 0.21 0.33 0.34 0.28 0.00 0.00 0.00 179.25 180.41 1upm h VAL 255 N 0.90 0.81 -0.18 0.00 2.07 -1.10 -1.55 116.25 117.20 1upm h VAL 255 Ca 0.24 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.41 1upm h VAL 255 Cb -0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1upm h VAL 255 CO -0.04 0.10 -0.53 0.15 0.02 0.00 0.00 177.57 177.27 1upm h PHE 256 N 0.56 0.64 -0.37 1.57 3.57 -1.12 -2.17 116.94 119.62 1upm h PHE 256 Ca 0.36 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1upm h PHE 256 Cb 0.41 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1upm h PHE 256 CO -0.12 0.93 0.24 0.00 -2.23 0.00 0.00 178.31 177.13 1upm h ALA 257 N 1.02 0.47 -0.29 2.41 0.00 -1.13 -1.78 119.26 119.95 1upm h ALA 257 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1upm h ALA 257 Cb 1.06 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1upm h ALA 257 CO 0.10 -0.07 -0.33 -0.09 0.00 0.00 0.00 179.25 178.87 1upm h ARG 258 N 0.49 -0.30 -0.99 0.00 1.12 -1.12 -2.22 114.38 111.36 1upm h ARG 258 Ca 0.13 0.02 0.21 0.00 -1.11 0.00 0.00 59.98 59.23 1upm h ARG 258 Cb -0.05 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 29.88 1upm h ARG 258 CO -0.03 -0.20 0.62 1.49 -3.11 0.00 0.00 179.97 178.74 1upm h GLU 259 N -0.31 0.61 0.00 0.20 4.81 -1.17 0.60 114.58 119.33 1upm h GLU 259 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1upm h GLU 259 Cb 0.54 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1upm h GLU 259 CO -0.46 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.50 1upm n LEU 260 N -4.71 0.12 -0.60 1.64 4.77 -0.69 -4.91 117.00 112.62 1upm n LEU 260 Ca 0.23 0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 56.66 1upm n LEU 260 Cb 0.65 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1upm n LEU 260 CO 0.23 -0.09 -0.07 0.61 -1.33 0.00 0.00 177.39 176.74 1upm n GLY 261 N 1.12 0.67 3.90 -0.72 0.00 0.20 -5.02 105.19 105.33 1upm n GLY 261 Ca 0.06 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.28 4.88 -0.35 1.61 -7.23 -1.22 -5.02 120.40 110.79 1upm s VAL 262 Ca 0.00 0.32 0.23 0.00 -1.81 0.00 0.00 61.98 60.72 1upm s VAL 262 Cb 0.00 -3.84 0.17 0.00 0.56 0.00 0.00 36.38 33.26 1upm s VAL 262 CO 0.00 -0.81 1.33 1.55 -0.31 0.00 0.00 175.10 176.86 1upm h PRO 263 N 0.39 0.00 -2.51 4.82 0.13 -1.92 -3.45 132.00 129.46 1upm h PRO 263 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1upm h PRO 263 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1upm h PRO 263 CO 0.62 0.00 -0.15 -1.50 -0.23 0.00 0.00 178.00 176.74 1upm s ILE 264 N -3.28 -0.01 0.44 -3.56 2.07 -1.26 -0.98 121.20 114.61 1upm s ILE 264 Ca 0.03 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 1upm s ILE 264 Cb 0.08 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1upm s ILE 264 CO 0.73 0.01 0.03 0.54 -1.91 0.00 0.00 174.94 174.34 1upm s VAL 265 N 0.64 1.38 0.08 4.00 0.11 -0.49 -3.28 120.40 122.85 1upm s VAL 265 Ca -0.03 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.04 1upm s VAL 265 Cb -0.05 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1upm s VAL 265 CO -0.04 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 171.66 1upm s MET 266 N -3.80 0.75 -0.01 1.54 0.23 -0.58 -1.22 119.30 116.20 1upm s MET 266 Ca 0.22 -1.16 -0.03 0.00 -1.03 0.00 0.00 55.69 53.69 1upm s MET 266 Cb 0.06 -0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.10 1upm s MET 266 CO 0.11 0.01 0.07 -1.58 -2.03 0.00 0.00 175.02 171.60 1upm s HIS 267 N -2.88 0.01 -0.80 3.16 5.04 -0.69 -1.74 115.29 117.38 1upm s HIS 267 Ca 0.05 -0.01 -0.20 0.00 -1.54 0.00 0.00 55.06 53.36 1upm s HIS 267 Cb 0.00 -0.03 0.11 0.00 0.04 0.00 0.00 32.58 32.70 1upm s HIS 267 CO -0.03 -0.13 1.01 -0.51 -2.34 0.00 0.00 174.74 172.75 1upm s ASP 268 N -0.57 6.44 0.36 9.88 1.01 -1.26 -1.79 116.67 130.74 1upm s ASP 268 Ca -0.06 -1.67 0.19 0.00 0.71 0.00 0.00 52.55 51.72 1upm s ASP 268 Cb -0.04 -2.39 0.60 0.00 1.01 0.00 0.00 42.92 42.10 1upm s ASP 268 CO 0.00 -1.17 1.69 0.10 0.21 0.00 0.00 175.17 176.00 1upm h TYR 269 N 9.07 0.00 0.17 4.23 -0.00 -1.88 0.18 116.97 128.75 1upm h TYR 269 Ca -0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.34 1upm h TYR 269 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.78 1upm h TYR 269 CO 1.06 0.38 -1.77 -0.07 -0.00 0.00 0.00 178.16 177.76 1upm h LEU 270 N 0.00 0.55 -0.23 0.10 3.38 -1.80 0.18 115.31 117.49 1upm h LEU 270 Ca -0.00 -0.87 -0.22 0.00 0.09 0.00 0.00 57.88 56.88 1upm h LEU 270 Cb 0.97 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1upm h LEU 270 CO 0.05 1.75 -0.86 0.71 0.09 0.00 0.00 178.44 180.17 1upm h THR 271 N 0.10 1.36 -0.05 0.22 1.35 -1.70 -3.20 112.91 110.99 1upm h THR 271 Ca -0.35 -2.27 -0.01 0.00 -0.55 0.00 0.00 66.41 63.24 1upm h THR 271 Cb 2.08 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 70.75 1upm h THR 271 CO 0.16 0.69 -0.02 1.23 -0.25 0.00 0.00 175.52 177.32 1upm h GLY 272 N 1.08 0.12 0.00 5.82 0.00 -0.79 -3.50 103.07 105.79 1upm h GLY 272 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1upm h GLY 272 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1upm n GLY 273 N -0.03 2.23 0.18 4.60 0.00 0.05 -4.70 105.19 107.52 1upm n GLY 273 Ca -0.07 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 1.01 -0.14 1.61 0.04 -1.89 -0.16 116.94 117.41 1upm h PHE 274 Ca 0.00 -0.61 0.04 0.00 2.80 0.00 0.00 57.97 60.20 1upm h PHE 274 Cb 0.00 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1upm h PHE 274 CO 0.00 1.45 -0.17 1.15 -0.60 0.00 0.00 178.31 180.15 1upm h THR 275 N 0.27 0.55 -0.87 -1.55 2.02 -1.94 -1.47 112.91 109.93 1upm h THR 275 Ca -0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1upm h THR 275 Cb 1.85 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1upm h THR 275 CO 0.23 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.60 1upm h ALA 276 N 0.84 1.20 -0.12 6.16 0.00 -1.83 -2.90 119.26 122.60 1upm h ALA 276 Ca 0.10 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1upm h ALA 276 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1upm h ALA 276 CO -0.26 0.65 -0.63 -0.97 0.00 0.00 0.00 179.25 178.04 1upm h ASN 277 N 1.22 0.51 -0.35 0.00 -0.73 -0.68 -2.16 115.58 113.40 1upm h ASN 277 Ca 0.31 -0.30 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1upm h ASN 277 Cb 0.03 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 1upm h ASN 277 CO -0.05 1.01 0.13 0.74 -0.37 0.00 0.00 177.43 178.89 1upm h THR 278 N 0.33 1.20 -0.70 -3.57 2.02 -1.25 -0.35 112.91 110.58 1upm h THR 278 Ca -0.01 -0.62 0.15 0.00 0.77 0.00 0.00 66.41 66.70 1upm h THR 278 Cb 1.17 0.95 -0.11 0.00 -1.74 0.00 0.00 68.15 68.42 1upm h THR 278 CO 0.11 0.22 0.10 0.74 0.37 0.00 0.00 175.52 177.06 1upm h THR 279 N 0.42 0.48 -0.03 3.16 2.02 -1.35 -1.32 112.91 116.29 1upm h THR 279 Ca 0.12 -0.07 -0.20 0.00 0.77 0.00 0.00 66.41 67.03 1upm h THR 279 Cb 0.22 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1upm h THR 279 CO -0.01 0.04 -0.82 0.25 0.37 0.00 0.00 175.52 175.35 1upm h LEU 280 N 0.20 0.42 -0.26 2.58 5.85 -1.05 -2.38 115.31 120.68 1upm h LEU 280 Ca 0.39 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1upm h LEU 280 Cb 0.66 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1upm h LEU 280 CO -0.54 1.07 0.17 -1.28 -0.34 0.00 0.00 178.44 177.52 1upm h SER 281 N 0.21 0.29 -0.88 1.25 0.87 -0.70 -0.08 113.55 114.51 1upm h SER 281 Ca -0.05 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1upm h SER 281 Cb 1.42 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 1upm h SER 281 CO 0.14 0.22 0.55 0.45 -0.53 0.00 0.00 176.83 177.65 1upm h HIS 282 N 0.34 1.15 -0.61 2.24 3.86 -1.12 -2.24 115.15 118.78 1upm h HIS 282 Ca 0.09 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1upm h HIS 282 Cb -0.04 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.03 1upm h HIS 282 CO -0.06 0.75 0.17 -0.92 0.86 0.00 0.00 177.93 178.74 1upm h TYR 283 N 1.21 0.99 -0.43 2.45 3.20 -1.31 -2.19 116.97 120.89 1upm h TYR 283 Ca 0.32 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1upm h TYR 283 Cb -0.07 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 1upm h TYR 283 CO 0.00 0.83 -0.24 0.00 -1.64 0.00 0.00 178.16 177.11 1upm h ARG 285 N 0.77 -0.06 0.00 0.00 9.65 -1.34 -1.49 114.38 121.91 1upm h ARG 285 Ca 0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1upm h ARG 285 Cb 0.79 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1upm h ARG 285 CO 0.07 -0.04 0.00 -0.44 2.80 0.00 0.00 179.97 182.36 1upm h ASP 286 N -0.06 0.00 0.00 -3.80 3.32 -1.12 -3.13 116.42 111.63 1upm h ASP 286 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1upm h ASP 286 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1upm h ASP 286 CO -0.10 0.00 -0.03 0.59 -1.72 0.00 0.00 179.24 177.97 1upm n ASN 287 N -2.70 1.23 -1.62 6.45 3.02 -0.77 -5.01 115.26 115.86 1upm n ASN 287 Ca -0.02 -1.76 -0.17 0.00 -0.03 0.00 0.00 54.58 52.60 1upm n ASN 287 Cb 0.08 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.39 0.66 3.73 7.41 0.00 -0.70 -5.00 105.19 110.90 1upm n GLY 288 Ca 0.02 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.37 4.26 0.34 0.99 1.43 -0.65 -4.96 118.68 115.72 1upm s LEU 289 Ca 0.00 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1upm s LEU 289 Cb 0.00 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 1upm s LEU 289 CO 0.00 0.08 1.33 -0.76 0.23 0.00 0.00 176.35 177.23 1upm s LEU 290 N 0.46 4.40 -0.31 1.79 1.43 -0.16 -4.57 118.68 121.72 1upm s LEU 290 Ca 0.19 2.73 0.03 0.00 -1.03 0.00 0.00 54.13 56.05 1upm s LEU 290 Cb -0.13 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.50 1upm s LEU 290 CO 0.05 -0.60 -0.01 -0.22 0.23 0.00 0.00 176.35 175.80 1upm s LEU 291 N -1.89 4.22 -0.11 1.79 2.96 -1.26 -1.39 118.68 123.00 1upm s LEU 291 Ca 0.50 -1.83 -0.27 0.00 -0.22 0.00 0.00 54.13 52.31 1upm s LEU 291 Cb -0.40 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1upm s LEU 291 CO 0.54 -0.30 0.87 -2.28 -1.32 0.00 0.00 176.35 173.86 1upm s HIS 292 N 0.99 3.51 -0.19 5.38 5.65 -0.36 -0.30 115.29 129.97 1upm s HIS 292 Ca 0.02 1.40 -0.05 0.00 0.25 0.00 0.00 55.06 56.69 1upm s HIS 292 Cb -0.19 -3.03 -0.02 0.00 -1.18 0.00 0.00 32.58 28.15 1upm s HIS 292 CO -0.07 -0.14 -0.01 0.42 -0.65 0.00 0.00 174.74 174.30 1upm s ILE 293 N 1.69 3.94 -0.14 0.89 -1.09 -0.56 -1.70 121.20 124.23 1upm s ILE 293 Ca 0.43 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 58.45 1upm s ILE 293 Cb -0.18 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1upm s ILE 293 CO 0.17 0.44 0.13 -2.28 -1.23 0.00 0.00 174.94 172.17 1upm s HIS 294 N 0.86 3.51 -0.34 3.97 5.65 -0.74 -2.83 115.29 125.38 1upm s HIS 294 Ca 0.00 0.44 0.09 0.00 0.25 0.00 0.00 55.06 55.85 1upm s HIS 294 Cb -0.14 -1.99 0.70 0.00 -1.18 0.00 0.00 32.58 29.97 1upm s HIS 294 CO 0.02 0.60 1.79 2.89 -0.65 0.00 0.00 174.74 179.38 1upm n ARG 295 N 2.40 3.18 -1.47 2.88 1.85 -1.26 -3.00 116.66 121.24 1upm n ARG 295 Ca -0.19 -3.07 -0.53 0.00 -1.00 0.00 0.00 57.85 53.06 1upm n ARG 295 Cb 0.54 -2.16 -0.05 0.00 -1.05 0.00 0.00 32.46 29.74 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 -0.49 -2.96 0.00 2.89 0.00 -1.26 -1.03 120.51 117.65 1upm n ALA 296 Ca 0.44 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1upm n ALA 296 Cb 1.40 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.30 0.00 -0.32 0.00 0.00 -1.26 -4.16 117.12 112.68 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 0.17 -0.83 0.17 0.00 0.00 0.00 0.00 33.22 32.73 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 0.98 0.00 1.12 -0.00 -1.51 -2.32 115.15 113.43 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 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 1upm h HIS 298 CO 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 177.93 178.37 1upm h ALA 299 N 1.45 1.00 -0.73 6.11 0.00 -1.92 0.15 119.26 125.31 1upm h ALA 299 Ca 0.41 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1upm h ALA 299 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1upm h ALA 299 CO -0.22 0.00 0.48 0.28 0.00 0.00 0.00 179.25 179.80 1upm h VAL 300 N 0.00 1.12 0.04 0.00 2.07 -1.83 -3.04 116.25 114.61 1upm h VAL 300 Ca 0.00 -0.31 -0.37 0.00 0.82 0.00 0.00 66.70 66.85 1upm h VAL 300 Cb 0.36 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1upm h VAL 300 CO 0.00 0.16 -2.19 -0.38 0.02 0.00 0.00 177.57 175.18 1upm n ILE 301 N -4.45 1.60 0.02 4.57 5.41 0.35 -4.73 119.36 122.13 1upm n ILE 301 Ca 0.09 -0.67 0.05 0.00 1.00 0.00 0.00 62.75 63.21 1upm n ILE 301 Cb 0.11 -1.34 0.10 0.00 -0.71 0.00 0.00 39.64 37.80 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 -3.24 2.46 -0.02 4.38 5.68 -0.20 -2.16 116.55 123.45 1upm n ASP 302 Ca -0.35 -1.81 -0.16 0.00 -0.50 0.00 0.00 54.79 51.98 1upm n ASP 302 Cb 1.04 -0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.78 1upm n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1upm h ARG 303 N 1.73 0.25 -6.29 0.11 9.65 -1.78 -3.42 114.38 114.63 1upm h ARG 303 Ca 0.00 -0.25 -0.56 0.00 -1.10 0.00 0.00 59.98 58.06 1upm h ARG 303 Cb 0.60 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 1upm h ARG 303 CO 0.00 0.95 -0.04 -0.65 2.80 0.00 0.00 179.97 183.03 1upm s GLN 304 N -3.27 4.13 0.33 0.20 -1.52 -1.26 -4.32 119.66 113.95 1upm s GLN 304 Ca -0.15 0.67 0.16 0.00 -1.95 0.00 0.00 55.36 54.09 1upm s GLN 304 Cb 0.02 -3.11 0.53 0.00 -0.22 0.00 0.00 33.01 30.23 1upm s GLN 304 CO 0.76 0.57 1.67 -0.22 -0.25 0.00 0.00 175.29 177.82 1upm h LYS 305 N 4.12 0.00 0.00 2.91 3.64 -1.90 -3.25 116.57 122.09 1upm h LYS 305 Ca -0.49 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1upm h LYS 305 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1upm h LYS 305 CO 0.64 0.46 -0.82 -2.95 -2.27 0.00 0.00 179.45 174.52 1upm h ASN 306 N 0.00 0.00 -3.72 4.20 -1.07 -1.94 -3.46 115.58 109.59 1upm h ASN 306 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.24 1upm h ASN 306 Cb 1.01 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.01 1upm h ASN 306 CO 0.06 0.38 -0.27 -2.28 0.07 0.00 0.00 177.43 175.40 1upm s HIS 307 N -3.05 -0.47 0.00 4.14 5.04 -1.23 -3.37 115.29 116.36 1upm s HIS 307 Ca 0.01 1.11 0.00 0.00 -1.54 0.00 0.00 55.06 54.65 1upm s HIS 307 Cb 0.08 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.87 1upm s HIS 307 CO 0.76 -0.24 0.00 0.41 -2.34 0.00 0.00 174.74 173.33 1upm n GLY 308 N 3.22 0.07 2.89 1.59 0.00 -0.39 -4.47 105.19 108.09 1upm n GLY 308 Ca -0.16 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.06 0.59 1.61 -1.94 -0.92 -0.74 119.30 117.97 1upm s MET 309 Ca 0.00 0.32 -0.18 0.00 -1.71 0.00 0.00 55.69 54.12 1upm s MET 309 Cb 0.00 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.62 1upm s MET 309 CO 0.00 -0.16 1.13 -1.58 -0.01 0.00 0.00 175.02 174.40 1upm s HIS 310 N 1.11 2.60 0.51 -0.03 2.46 -0.19 -3.68 115.29 118.07 1upm s HIS 310 Ca -0.09 1.55 0.21 0.00 0.47 0.00 0.00 55.06 57.20 1upm s HIS 310 Cb -0.12 -3.28 1.29 0.00 -0.13 0.00 0.00 32.58 30.35 1upm s HIS 310 CO -0.05 -1.71 2.02 0.35 -2.47 0.00 0.00 174.74 172.88 1upm h PHE 311 N 0.73 0.10 -0.47 3.88 3.57 -1.92 -2.03 116.94 120.80 1upm h PHE 311 Ca -0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1upm h PHE 311 Cb 1.26 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1upm h PHE 311 CO 0.52 0.05 0.27 0.07 -2.23 0.00 0.00 178.31 176.98 1upm h ARG 312 N 0.09 0.64 -0.44 1.11 0.11 -1.91 0.18 114.38 114.16 1upm h ARG 312 Ca 0.21 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 60.10 1upm h ARG 312 Cb 0.73 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.67 1upm h ARG 312 CO -0.02 0.47 -0.26 0.28 0.10 0.00 0.00 179.97 180.54 1upm h VAL 313 N 0.65 1.27 -0.10 0.08 2.07 -1.62 -1.70 116.25 116.90 1upm h VAL 313 Ca 0.17 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 1upm h VAL 313 Cb 0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1upm h VAL 313 CO -0.03 0.49 -0.44 -0.07 0.02 0.00 0.00 177.57 177.54 1upm h LEU 314 N 0.80 0.26 -0.23 2.57 3.38 -1.22 -1.71 115.31 119.15 1upm h LEU 314 Ca 0.09 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 314 Cb 0.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1upm h LEU 314 CO 0.07 0.67 -0.53 0.00 0.09 0.00 0.00 178.44 178.74 1upm h ALA 315 N 1.35 0.38 -0.60 1.53 0.00 -0.67 -2.54 119.26 118.71 1upm h ALA 315 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1upm h ALA 315 Cb 0.86 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1upm h ALA 315 CO 0.07 0.58 0.24 0.87 0.00 0.00 0.00 179.25 181.00 1upm h LYS 316 N 0.51 0.90 -0.82 0.00 1.57 -1.16 -1.90 116.57 115.67 1upm h LYS 316 Ca 0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1upm h LYS 316 Cb 1.14 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1upm h LYS 316 CO 0.12 0.77 0.42 0.00 -0.57 0.00 0.00 179.45 180.19 1upm h ALA 317 N 1.09 1.05 -0.52 3.86 0.00 -1.34 -2.19 119.26 121.20 1upm h ALA 317 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 317 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1upm h ALA 317 CO -0.02 0.59 0.19 1.25 0.00 0.00 0.00 179.25 181.26 1upm h LEU 318 N 1.15 0.73 -1.25 0.00 7.12 -1.22 -1.67 115.31 120.18 1upm h LEU 318 Ca 0.28 -0.18 0.08 0.00 0.13 0.00 0.00 57.88 58.19 1upm h LEU 318 Cb 0.07 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 39.95 1upm h LEU 318 CO -0.04 0.72 0.55 -0.09 -0.13 0.00 0.00 178.44 179.44 1upm h ARG 319 N 0.70 0.85 0.32 1.25 2.43 -0.90 0.42 114.38 119.46 1upm h ARG 319 Ca 0.17 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1upm h ARG 319 Cb 0.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1upm h ARG 319 CO -0.01 0.56 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.79 1upm h LEU 320 N 0.87 -0.36 -0.13 3.80 3.38 -1.15 -3.31 115.31 118.41 1upm h LEU 320 Ca 0.38 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1upm h LEU 320 Cb 0.32 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1upm h LEU 320 CO -0.15 0.10 -0.06 -1.28 0.09 0.00 0.00 178.44 177.14 1upm h SER 321 N -0.97 -0.19 0.00 -0.43 0.87 -1.16 -2.17 113.55 109.50 1upm h SER 321 Ca -0.04 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1upm h SER 321 Cb 0.50 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1upm h SER 321 CO 0.07 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 1upm n GLY 322 N -1.19 4.21 3.60 5.77 0.00 0.15 -4.40 105.19 113.32 1upm n GLY 322 Ca -0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.16 0.03 -0.02 0.00 -1.25 -4.80 107.32 101.11 1upm s GLY 323 Ca 0.00 2.31 0.15 0.00 0.00 0.00 0.00 44.72 47.19 1upm s GLY 323 CO 0.00 1.15 0.77 1.22 0.00 0.00 0.00 173.10 176.24 1upm n ASP 324 N 0.85 0.88 -4.28 1.64 8.00 0.59 -4.39 116.55 119.84 1upm n ASP 324 Ca -0.08 0.40 -0.24 0.00 0.71 0.00 0.00 54.79 55.58 1upm n ASP 324 Cb 0.58 0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.81 1.78 -0.08 1.24 3.76 -1.01 -1.82 115.29 116.34 1upm s HIS 325 Ca -0.03 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 1upm s HIS 325 Cb 0.08 -0.98 0.02 0.00 1.11 0.00 0.00 32.58 32.82 1upm s HIS 325 CO 0.82 0.20 0.22 -1.50 -0.85 0.00 0.00 174.74 173.62 1upm s ILE 326 N -1.15 -0.00 0.24 0.60 2.07 -0.66 -1.50 121.20 120.80 1upm s ILE 326 Ca 0.06 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1upm s ILE 326 Cb -0.10 -0.32 -0.10 0.00 0.13 0.00 0.00 42.46 42.07 1upm s ILE 326 CO 0.04 0.01 1.52 -1.00 -1.91 0.00 0.00 174.94 173.60 1upm s HIS 327 N 0.24 2.95 0.00 3.50 3.76 -1.13 -0.37 115.29 124.24 1upm s HIS 327 Ca -0.01 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 1upm s HIS 327 Cb -0.02 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.74 1upm s HIS 327 CO -0.01 -3.14 0.00 -1.13 -0.85 0.00 0.00 174.74 169.61 1upm n SER 328 N 2.69 0.61 0.00 1.40 3.41 -0.73 -4.77 113.62 116.23 1upm n SER 328 Ca 0.09 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1upm n SER 328 Cb 0.39 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 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 1.17 1.00 0.00 5.00 0.00 -1.25 -4.92 105.19 106.20 1upm n GLY 329 Ca 0.00 -1.90 0.05 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 1.32 0.00 0.00 2.61 -2.24 -1.26 -4.39 114.28 110.33 1upm n THR 330 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1upm n THR 330 Cb 0.00 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.65 0.00 1.20 2.28 0.31 -1.26 -4.43 118.33 114.78 1upm n VAL 331 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1upm n VAL 331 Cb 0.23 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.66 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 -0.58 2.52 0.24 -1.26 -4.56 118.33 114.68 1upm n VAL 332 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1upm n VAL 332 Cb 0.00 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 1.39 1.78 0.05 7.63 0.00 -1.26 -4.24 105.19 110.54 1upm n GLY 333 Ca 0.10 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.16 -4.32 1.61 2.85 -0.50 -4.71 118.16 113.24 1upm n LYS 334 Ca 0.00 0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 57.07 1upm n LYS 334 Cb 0.00 -1.63 -0.09 0.00 -0.65 0.00 0.00 35.03 32.65 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 -3.76 2.90 0.31 -5.58 1.43 -1.26 -5.03 118.68 107.68 1upm s LEU 335 Ca 0.10 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 1upm s LEU 335 Cb 0.15 -1.56 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 1upm s LEU 335 CO 0.65 0.09 1.24 -0.70 0.23 0.00 0.00 176.35 177.86 1upm s GLU 336 N -2.93 4.45 -0.30 1.70 2.12 -1.26 -4.67 118.70 117.81 1upm s GLU 336 Ca 0.25 2.07 -0.17 0.00 0.36 0.00 0.00 54.97 57.48 1upm s GLU 336 Cb -0.08 -3.12 0.18 0.00 0.26 0.00 0.00 34.13 31.37 1upm s GLU 336 CO 0.15 -0.06 1.16 0.20 -0.54 0.00 0.00 175.26 176.17 1upm s GLY 337 N -0.57 -0.05 0.22 -1.50 0.00 -1.26 -4.88 107.32 99.28 1upm s GLY 337 Ca 0.48 3.20 -0.30 0.00 0.00 0.00 0.00 44.72 48.11 1upm s GLY 337 CO 0.48 3.61 1.15 -0.54 0.00 0.00 0.00 173.10 177.80 1upm s GLU 338 N 2.57 4.56 0.18 2.90 0.41 -1.26 -3.99 118.70 124.07 1upm s GLU 338 Ca -0.03 1.83 -0.22 0.00 -0.41 0.00 0.00 54.97 56.15 1upm s GLU 338 Cb -0.06 -3.22 0.10 0.00 -1.78 0.00 0.00 34.13 29.16 1upm s GLU 338 CO -0.13 0.05 1.59 -0.09 -0.49 0.00 0.00 175.26 176.19 1upm h ARG 339 N 4.66 -0.19 -0.25 1.61 2.43 -1.98 -1.76 114.38 118.90 1upm h ARG 339 Ca -0.45 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.55 1upm h ARG 339 Cb 1.21 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1upm h ARG 339 CO 0.71 -0.13 -0.54 -0.44 -1.51 0.00 0.00 179.97 178.07 1upm h ASP 340 N -0.20 0.91 -0.73 -3.80 3.32 -1.93 -1.07 116.42 112.92 1upm h ASP 340 Ca 0.21 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1upm h ASP 340 Cb 0.54 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1upm h ASP 340 CO -0.61 1.29 0.35 0.40 -1.72 0.00 0.00 179.24 178.95 1upm h ILE 341 N 0.57 1.24 -0.28 0.35 2.04 -1.73 -2.18 117.51 117.52 1upm h ILE 341 Ca 0.00 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 1upm h ILE 341 Cb 1.15 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1upm h ILE 341 CO 0.12 0.29 -0.17 0.74 0.00 0.00 0.00 178.15 179.13 1upm h THR 342 N 1.06 1.30 -0.60 -0.27 2.02 -1.10 -2.48 112.91 112.85 1upm h THR 342 Ca 0.26 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1upm h THR 342 Cb 0.12 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1upm h THR 342 CO -0.03 0.41 0.30 -0.07 0.37 0.00 0.00 175.52 176.50 1upm h LEU 343 N 0.35 0.74 0.21 2.58 3.38 -1.09 -0.63 115.31 120.84 1upm h LEU 343 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1upm h LEU 343 Cb 0.70 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1upm h LEU 343 CO 0.05 0.62 -0.16 1.23 0.09 0.00 0.00 178.44 180.27 1upm h GLY 344 N 0.91 -0.37 1.81 0.83 0.00 -1.19 -2.20 103.07 102.86 1upm h GLY 344 Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1upm h GLY 344 CO -0.03 -0.16 -0.19 0.27 0.00 0.00 0.00 176.54 176.43 1upm h PHE 345 N -0.37 0.00 -0.66 5.60 -5.15 -1.07 -2.34 116.94 112.95 1upm h PHE 345 Ca -0.01 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.72 1upm h PHE 345 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.47 1upm h PHE 345 CO -0.11 0.00 0.26 0.28 -2.00 0.00 0.00 178.31 176.74 1upm h VAL 346 N 0.00 1.24 -0.48 0.88 2.07 -1.10 -1.87 116.25 116.99 1upm h VAL 346 Ca 0.00 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1upm h VAL 346 Cb 1.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1upm h VAL 346 CO 0.00 0.30 -0.13 0.44 0.02 0.00 0.00 177.57 178.21 1upm h ASP 347 N 0.94 0.89 0.11 0.57 3.32 -1.19 -1.44 116.42 119.61 1upm h ASP 347 Ca 0.22 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1upm h ASP 347 Cb 0.22 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1upm h ASP 347 CO -0.02 1.02 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.41 1upm h LEU 348 N 0.79 0.00 0.08 1.55 3.38 -1.20 -2.21 115.31 117.70 1upm h LEU 348 Ca 0.13 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 348 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1upm h LEU 348 CO 0.05 0.05 -1.74 -0.07 0.09 0.00 0.00 178.44 176.82 1upm h LEU 349 N 0.00 0.26 0.00 1.67 3.38 -0.65 -3.41 115.31 116.56 1upm h LEU 349 Ca -0.00 -0.49 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 1upm h LEU 349 Cb 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1upm h LEU 349 CO 0.01 1.43 -1.98 0.54 0.09 0.00 0.00 178.44 178.53 1upm n ARG 350 N -3.32 0.66 -3.66 1.13 1.74 -0.61 -1.38 116.66 111.21 1upm n ARG 350 Ca -0.21 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.62 1upm n ARG 350 Cb 1.05 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1upm n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1upm s ASP 351 N -5.13 5.09 0.20 0.55 1.01 -0.84 -4.46 116.67 113.09 1upm s ASP 351 Ca -0.07 -0.68 0.24 0.00 0.71 0.00 0.00 52.55 52.74 1upm s ASP 351 Cb 0.10 -0.69 0.29 0.00 1.01 0.00 0.00 42.92 43.64 1upm s ASP 351 CO 0.86 -0.55 1.34 -0.78 0.21 0.00 0.00 175.17 176.24 1upm h ASP 352 N 1.12 0.00 -3.14 0.27 3.58 -1.91 -3.45 116.42 112.88 1upm h ASP 352 Ca -0.42 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 1upm h ASP 352 Cb 1.26 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.08 1upm h ASP 352 CO 0.58 0.05 -0.13 -0.47 -2.88 0.00 0.00 179.24 176.39 1upm s TYR 353 N -3.22 -0.83 -0.09 0.28 5.04 -1.26 -0.95 117.35 116.32 1upm s TYR 353 Ca 0.05 1.71 -0.02 0.00 -2.44 0.00 0.00 57.07 56.37 1upm s TYR 353 Cb 0.11 0.45 0.04 0.00 0.35 0.00 0.00 41.96 42.90 1upm s TYR 353 CO 0.72 -0.43 0.04 0.99 -1.34 0.00 0.00 175.55 175.52 1upm s THR 354 N 1.47 0.15 0.35 4.34 2.01 -0.31 -5.02 115.64 118.63 1upm s THR 354 Ca -0.09 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 1upm s THR 354 Cb -0.07 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 1upm s THR 354 CO -0.16 0.11 1.11 -0.70 -0.69 0.00 0.00 174.62 174.29 1upm s GLU 355 N 2.05 4.35 -0.06 4.92 2.12 -1.26 -1.07 118.70 129.75 1upm s GLU 355 Ca 0.04 1.74 -0.29 0.00 0.36 0.00 0.00 54.97 56.81 1upm s GLU 355 Cb -0.13 -2.87 -0.14 0.00 0.26 0.00 0.00 34.13 31.25 1upm s GLU 355 CO -0.05 -0.03 0.83 1.17 -0.54 0.00 0.00 175.26 176.63 1upm n LYS 356 N 0.53 0.00 -3.10 4.30 4.81 -1.25 -4.78 118.16 118.67 1upm n LYS 356 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1upm n LYS 356 Cb 0.47 -1.06 -0.01 0.00 0.02 0.00 0.00 35.03 34.44 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 0.38 -1.12 0.59 3.14 2.15 -0.03 -4.96 116.67 116.82 1upm s ASP 357 Ca 0.66 -1.24 0.30 0.00 0.43 0.00 0.00 52.55 52.70 1upm s ASP 357 Cb -0.93 1.71 1.82 0.00 -0.30 0.00 0.00 42.92 45.23 1upm s ASP 357 CO 0.44 -0.14 2.25 0.03 -0.17 0.00 0.00 175.17 177.57 1upm h ARG 358 N 6.35 0.00 0.00 4.34 2.47 -1.91 -0.73 114.38 124.90 1upm h ARG 358 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1upm h ARG 358 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1upm h ARG 358 CO 0.09 0.01 0.00 0.66 0.56 0.00 0.00 179.97 181.29 1upm h SER 359 N 0.00 0.00 -0.37 7.04 4.64 -1.96 -1.89 113.55 121.02 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1upm h SER 359 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1upm n ARG 360 N -2.88 2.95 -0.89 4.77 1.74 -0.37 -4.77 116.66 117.22 1upm n ARG 360 Ca 0.01 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 1upm n ARG 360 Cb 0.29 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.38 0.53 3.48 -0.13 0.00 -0.71 -4.38 105.19 104.36 1upm n GLY 361 Ca 0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1upm n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upm s ILE 362 N -2.00 4.66 -0.50 -0.61 1.01 -0.67 -4.91 121.20 118.18 1upm s ILE 362 Ca 0.00 -0.14 0.24 0.00 0.00 0.00 0.00 60.65 60.75 1upm s ILE 362 Cb 0.00 -4.41 0.30 0.00 0.01 0.00 0.00 42.46 38.36 1upm s ILE 362 CO 0.00 -0.94 1.60 1.88 0.00 0.00 0.00 174.94 177.48 1upm h TYR 363 N 9.14 0.00 -3.39 3.97 -1.99 -1.93 -0.04 116.97 122.72 1upm h TYR 363 Ca -0.27 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.28 1upm h TYR 363 Cb 1.09 0.00 -0.26 0.00 2.00 0.00 0.00 36.73 39.56 1upm h TYR 363 CO 0.82 0.00 -0.54 -0.06 -0.00 0.00 0.00 178.16 178.38 1upm s PHE 364 N -3.20 -0.14 0.12 4.88 0.08 -1.26 -4.90 117.98 113.56 1upm s PHE 364 Ca 0.07 0.33 -0.31 0.00 0.12 0.00 0.00 56.93 57.14 1upm s PHE 364 Cb 0.07 0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.48 1upm s PHE 364 CO 0.66 -0.10 1.48 0.99 -0.10 0.00 0.00 175.22 178.15 1upm s THR 365 N -0.10 3.06 -0.10 0.64 2.01 -1.26 -3.94 115.64 115.94 1upm s THR 365 Ca -0.02 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1upm s THR 365 Cb -0.02 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1upm s THR 365 CO 0.00 0.05 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.27 1upm s GLN 366 N 1.33 1.99 0.08 4.92 2.00 -0.23 -4.89 119.66 124.86 1upm s GLN 366 Ca 0.67 -0.48 0.04 0.00 -2.00 0.00 0.00 55.36 53.60 1upm s GLN 366 Cb -0.39 -1.74 -0.04 0.00 0.80 0.00 0.00 33.01 31.64 1upm s GLN 366 CO 0.30 -0.08 0.00 -1.12 -0.50 0.00 0.00 175.29 173.90 1upm s SER 367 N 1.05 5.05 0.00 6.67 0.01 -1.26 -1.16 113.70 124.06 1upm s SER 367 Ca -0.06 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.09 1upm s SER 367 Cb -0.15 -1.22 0.04 0.00 0.21 0.00 0.00 66.02 64.90 1upm s SER 367 CO -0.02 0.18 0.67 0.79 0.41 0.00 0.00 173.24 175.27 1upm n TRP 368 N 0.63 0.01 -3.94 2.43 7.02 -0.12 -4.72 117.44 118.75 1upm n TRP 368 Ca -0.11 -0.03 -0.29 0.00 -1.02 0.00 0.00 57.50 56.05 1upm n TRP 368 Cb 0.52 -0.00 -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 0.23 -1.29 -0.96 -0.99 0.24 -1.26 -1.07 118.33 113.23 1upm n VAL 369 Ca 0.03 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1upm n VAL 369 Cb 0.12 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 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 -1.81 -4.18 -4.52 -1.34 7.64 -1.26 -4.99 113.62 103.16 1upm n SER 370 Ca -0.18 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.13 1upm n SER 370 Cb 0.49 -2.19 -0.08 0.00 -1.01 0.00 0.00 64.21 61.42 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 -2.35 0.00 -1.00 0.44 -1.04 -0.23 -4.87 114.28 105.23 1upm n THR 371 Ca 0.00 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1upm n THR 371 Cb 0.26 -0.19 0.12 0.00 -1.82 0.00 0.00 70.33 68.70 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 1.76 -0.00 -3.32 -2.82 -0.02 -1.26 -4.92 135.00 124.41 1upm n PRO 372 Ca 0.20 0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1upm n PRO 372 Cb 0.10 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 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 -2.04 2.35 -0.07 -1.23 0.00 -1.26 -4.66 107.32 100.41 1upm s GLY 373 Ca 0.67 -0.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.11 1upm s GLY 373 CO 0.57 0.06 0.37 0.14 0.00 0.00 0.00 173.10 174.24 1upm s VAL 374 N -1.76 5.17 -0.15 1.40 1.01 -0.48 -1.83 120.40 123.76 1upm s VAL 374 Ca 0.47 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1upm s VAL 374 Cb -0.12 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1upm s VAL 374 CO 0.20 0.50 1.21 -0.22 0.00 0.00 0.00 175.10 176.78 1upm s LEU 375 N -0.42 4.19 0.20 3.92 2.96 -0.76 -4.25 118.68 124.52 1upm s LEU 375 Ca 0.21 1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 55.49 1upm s LEU 375 Cb -0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1upm s LEU 375 CO 0.10 -0.70 1.02 -2.16 -1.32 0.00 0.00 176.35 173.29 1upm s PRO 376 N 3.12 4.70 -0.18 0.98 0.04 -1.26 -1.65 135.00 140.76 1upm s PRO 376 Ca 0.53 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 1upm s PRO 376 Cb -0.21 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1upm s PRO 376 CO 0.15 0.26 -0.12 0.08 0.04 0.00 0.00 177.00 177.41 1upm s VAL 377 N -0.62 2.89 -0.28 -0.36 1.01 0.50 -1.15 120.40 122.40 1upm s VAL 377 Ca 0.46 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1upm s VAL 377 Cb -0.27 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1upm s VAL 377 CO 0.34 0.49 0.18 0.00 0.00 0.00 0.00 175.10 176.11 1upm s ALA 378 N 1.02 3.51 -0.11 5.51 0.00 0.13 -1.78 121.76 130.04 1upm s ALA 378 Ca -0.01 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 1upm s ALA 378 Cb -0.15 -2.46 0.05 0.00 0.00 0.00 0.00 23.12 20.56 1upm s ALA 378 CO -0.02 -0.55 0.50 0.45 0.00 0.00 0.00 175.76 176.14 1upm s SER 379 N 1.75 -0.48 0.00 0.00 0.15 -1.26 -1.27 113.70 112.59 1upm s SER 379 Ca 0.07 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1upm s SER 379 Cb -0.16 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1upm s SER 379 CO 0.11 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1upm n GLY 380 N 1.97 2.11 2.07 9.45 0.00 -1.26 -4.61 105.19 114.93 1upm n GLY 380 Ca -0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 0.12 0.22 3.72 -0.02 0.00 -1.26 -1.42 105.19 106.56 1upm n GLY 381 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.26 3.89 0.35 -0.61 -4.36 -1.26 -4.27 121.20 112.69 1upm s ILE 382 Ca 0.01 -1.69 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1upm s ILE 382 Cb -0.00 -3.09 0.03 0.00 1.25 0.00 0.00 42.46 40.64 1upm s ILE 382 CO 0.01 -0.36 0.64 -1.38 0.24 0.00 0.00 174.94 174.09 1upm s HIS 383 N -2.24 0.48 0.29 1.37 -3.43 -1.26 -4.32 115.29 106.18 1upm s HIS 383 Ca 0.32 -0.95 0.03 0.00 -0.80 0.00 0.00 55.06 53.66 1upm s HIS 383 Cb -0.07 0.43 0.68 0.00 -1.43 0.00 0.00 32.58 32.19 1upm s HIS 383 CO 0.22 -1.34 1.75 -0.39 -2.00 0.00 0.00 174.74 172.97 1upm h VAL 384 N 2.06 0.64 0.00 -5.38 -1.51 -1.92 -0.74 116.25 109.39 1upm h VAL 384 Ca -0.29 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1upm h VAL 384 Cb 1.25 -0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1upm h VAL 384 CO 0.38 0.11 -0.04 -0.50 -1.23 0.00 0.00 177.57 176.30 1upm h TRP 385 N 0.60 0.00 0.00 5.19 4.06 -1.95 -0.96 115.95 122.89 1upm h TRP 385 Ca 0.54 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.49 1upm h TRP 385 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 1upm h TRP 385 CO -0.07 0.04 0.00 0.72 -3.56 0.00 0.00 178.44 175.57 1upm n HIS 386 N -3.25 0.00 0.00 0.49 8.25 -0.28 -4.44 115.22 115.99 1upm n HIS 386 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1upm n HIS 386 Cb 0.20 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 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 0.07 -0.52 -0.41 -1.53 -1.25 -1.59 114.93 109.69 1upm h MET 387 Ca 0.00 -0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.35 1upm h MET 387 Cb 0.23 -0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.18 1upm h MET 387 CO 0.00 0.21 -0.03 -1.35 0.14 0.00 0.00 176.91 175.88 1upm h PRO 388 N -0.09 0.08 -0.44 0.39 0.11 -1.80 -0.40 132.00 129.84 1upm h PRO 388 Ca 0.01 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1upm h PRO 388 Cb 0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1upm h PRO 388 CO -0.00 0.05 0.03 0.00 -0.21 0.00 0.00 178.00 177.88 1upm h ALA 389 N 1.48 0.59 -0.44 -0.75 0.00 -1.74 -1.99 119.26 116.41 1upm h ALA 389 Ca 0.26 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 389 Cb 0.40 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 389 CO -0.46 0.35 0.15 -0.07 0.00 0.00 0.00 179.25 179.22 1upm h LEU 390 N 0.61 0.14 -0.77 0.00 -0.00 -0.91 0.82 115.31 115.19 1upm h LEU 390 Ca 0.13 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 58.02 1upm h LEU 390 Cb 0.44 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1upm h LEU 390 CO 0.02 0.11 0.30 0.74 -0.00 0.00 0.00 178.44 179.61 1upm h THR 391 N 0.31 1.26 -0.40 0.22 2.02 -0.99 -1.57 112.91 113.76 1upm h THR 391 Ca 0.21 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1upm h THR 391 Cb 0.21 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1upm h THR 391 CO -0.22 0.34 0.10 -0.08 0.37 0.00 0.00 175.52 176.03 1upm h GLU 392 N 1.12 0.64 0.01 6.66 4.22 -1.12 -1.05 114.58 125.07 1upm h GLU 392 Ca 0.26 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 1upm h GLU 392 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1upm h GLU 392 CO -0.02 0.66 -0.00 0.82 -2.18 0.00 0.00 179.01 178.29 1upm h ILE 393 N 0.51 1.31 0.02 2.32 2.04 -0.57 -3.37 117.51 119.76 1upm h ILE 393 Ca 0.13 -0.94 -0.33 0.00 1.00 0.00 0.00 64.86 64.71 1upm h ILE 393 Cb 0.31 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1upm h ILE 393 CO 0.00 0.24 -2.01 0.49 0.00 0.00 0.00 178.15 176.87 1upm n PHE 394 N -4.90 0.68 -4.26 1.37 3.72 -0.61 -5.03 117.46 108.43 1upm n PHE 394 Ca -0.08 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1upm n PHE 394 Cb 0.21 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 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 1.74 -1.45 0.27 1.37 0.00 -0.40 -4.49 105.19 102.24 1upm n GLY 395 Ca -0.26 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 0.85 -0.35 1.61 3.32 -1.89 -3.33 116.42 116.63 1upm h ASP 396 Ca 0.00 -0.21 -0.71 0.00 0.02 0.00 0.00 57.03 56.12 1upm h ASP 396 Cb 0.00 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 1upm h ASP 396 CO 0.00 0.84 2.83 0.47 -1.72 0.00 0.00 179.24 181.67 1upm n ASP 397 N -4.41 4.20 -3.91 6.45 8.00 -1.26 -2.42 116.55 123.20 1upm n ASP 397 Ca 0.03 -2.89 -0.09 0.00 0.71 0.00 0.00 54.79 52.55 1upm n ASP 397 Cb 0.21 -1.64 -0.05 0.00 -0.02 0.00 0.00 41.12 39.63 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 2.93 -0.14 -0.16 -2.24 1.04 -1.25 -4.22 113.70 109.67 1upm s SER 398 Ca 0.46 -0.77 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 1upm s SER 398 Cb 0.12 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1upm s SER 398 CO -0.06 -1.11 -0.14 -0.69 0.98 0.00 0.00 173.24 172.23 1upm s VAL 399 N -3.96 2.81 -0.27 5.02 1.01 -0.30 -1.42 120.40 123.29 1upm s VAL 399 Ca 0.17 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1upm s VAL 399 Cb -0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1upm s VAL 399 CO 0.05 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 175.01 1upm s LEU 400 N 0.78 3.71 -0.13 3.92 1.43 0.30 0.23 118.68 128.91 1upm s LEU 400 Ca -0.05 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1upm s LEU 400 Cb -0.15 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1upm s LEU 400 CO 0.01 -0.06 -0.13 -1.10 0.23 0.00 0.00 176.35 175.29 1upm s GLN 401 N 1.66 3.37 -0.43 1.70 -0.21 -0.40 -1.26 119.66 124.09 1upm s GLN 401 Ca 0.06 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.78 1upm s GLN 401 Cb -0.16 -2.63 0.12 0.00 1.00 0.00 0.00 33.01 31.34 1upm s GLN 401 CO 0.06 0.19 0.20 -0.06 -2.12 0.00 0.00 175.29 173.56 1upm s PHE 402 N 0.40 2.67 0.00 0.91 0.08 -0.71 -4.31 117.98 117.02 1upm s PHE 402 Ca -0.10 -2.70 0.00 0.00 0.12 0.00 0.00 56.93 54.24 1upm s PHE 402 Cb -0.16 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1upm s PHE 402 CO 0.05 -0.81 0.03 0.41 -0.10 0.00 0.00 175.22 174.81 1upm n GLY 403 N 3.67 1.17 0.35 4.36 0.00 -1.26 -2.86 105.19 110.62 1upm n GLY 403 Ca 0.05 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.34 1upm n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1upm h GLY 404 N 0.00 2.00 1.96 -0.02 0.00 -1.93 0.97 103.07 106.05 1upm h GLY 404 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1upm h GLY 404 CO 0.00 -0.54 0.00 0.61 0.00 0.00 0.00 176.54 176.61 1upm n GLY 405 N -1.32 -0.62 0.66 4.60 0.00 -1.26 -0.51 105.19 106.75 1upm n GLY 405 Ca 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.48 0.54 1.53 2.61 -1.04 0.16 -4.65 114.28 111.94 1upm n THR 406 Ca 0.01 -0.14 0.14 0.00 -2.04 0.00 0.00 64.05 62.02 1upm n THR 406 Cb 0.04 -1.59 0.62 0.00 -1.82 0.00 0.00 70.33 67.59 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 -3.40 0.75 -0.93 -4.42 7.99 -0.17 -2.43 117.00 114.39 1upm n LEU 407 Ca -0.19 -0.17 0.12 0.00 -0.01 0.00 0.00 56.01 55.75 1upm n LEU 407 Cb 0.64 -0.09 0.25 0.00 -0.11 0.00 0.00 43.42 44.12 1upm n LEU 407 CO 0.02 0.13 0.72 0.61 -1.51 0.00 0.00 177.39 177.36 1upm n GLY 408 N 1.20 1.13 3.76 -0.72 0.00 0.34 -4.93 105.19 105.96 1upm n GLY 408 Ca 0.17 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.69 3.04 0.59 1.61 5.04 -1.02 -4.93 115.29 117.93 1upm s HIS 409 Ca 0.35 1.21 0.29 0.00 -1.54 0.00 0.00 55.06 55.38 1upm s HIS 409 Cb 0.21 -3.75 1.76 0.00 0.04 0.00 0.00 32.58 30.85 1upm s HIS 409 CO 0.30 -2.26 2.20 -1.00 -2.34 0.00 0.00 174.74 171.64 1upm h PRO 410 N 4.32 0.00 -0.57 2.88 0.13 -1.91 -2.43 132.00 134.42 1upm h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1upm h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1upm h PRO 410 CO 0.72 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.40 1upm n TRP 411 N -3.82 0.75 0.00 1.56 8.01 -1.26 -5.10 117.44 117.58 1upm n TRP 411 Ca -0.01 -0.39 0.00 0.00 -1.31 0.00 0.00 57.50 55.79 1upm n TRP 411 Cb 0.17 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 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 1.54 0.53 0.30 6.99 0.00 -0.92 -4.68 105.19 108.95 1upm n GLY 412 Ca 0.22 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 0.99 0.06 1.61 4.21 -1.87 -1.29 115.58 119.29 1upm h ASN 413 Ca 0.00 -0.30 -0.00 0.00 1.21 0.00 0.00 56.30 57.21 1upm h ASN 413 Cb 0.00 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 36.93 1upm h ASN 413 CO 0.00 1.07 -0.03 0.00 -1.29 0.00 0.00 177.43 177.18 1upm h ALA 414 N 1.02 -0.08 -0.58 -0.83 0.00 -1.84 -0.60 119.26 116.35 1upm h ALA 414 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 414 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1upm h ALA 414 CO 0.04 -0.42 0.21 -1.35 0.00 0.00 0.00 179.25 177.72 1upm h PRO 415 N -0.34 0.85 -0.50 0.00 0.11 -1.83 -0.88 132.00 129.41 1upm h PRO 415 Ca -0.01 -0.14 0.10 0.00 0.11 0.00 0.00 66.00 66.06 1upm h PRO 415 Cb 0.30 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.18 1upm h PRO 415 CO 0.01 0.72 -0.04 0.78 -0.21 0.00 0.00 178.00 179.26 1upm h GLY 416 N 0.96 0.47 0.90 -0.55 0.00 -1.00 -1.36 103.07 102.51 1upm h GLY 416 Ca 0.19 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1upm h GLY 416 CO -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 176.54 176.31 1upm h ALA 417 N 1.47 0.44 -0.49 3.60 0.00 -0.42 -2.65 119.26 121.20 1upm h ALA 417 Ca 0.25 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1upm h ALA 417 Cb 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1upm h ALA 417 CO -0.45 0.25 0.11 0.28 0.00 0.00 0.00 179.25 179.44 1upm h VAL 418 N 0.38 0.74 -0.39 0.00 2.07 -0.74 -0.29 116.25 118.02 1upm h VAL 418 Ca 0.08 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1upm h VAL 418 Cb 0.54 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1upm h VAL 418 CO 0.03 0.05 0.17 0.00 0.02 0.00 0.00 177.57 177.83 1upm h ALA 419 N 1.37 0.47 -0.45 1.67 0.00 -1.10 0.22 119.26 121.44 1upm h ALA 419 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1upm h ALA 419 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1upm h ALA 419 CO -0.31 -0.21 0.11 -0.91 0.00 0.00 0.00 179.25 177.93 1upm h ASN 420 N 0.35 0.68 -0.30 0.00 -0.26 -1.11 -1.11 115.58 113.83 1upm h ASN 420 Ca 0.17 -0.23 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 1upm h ASN 420 Cb 0.12 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1upm h ASN 420 CO -0.15 0.74 -0.00 -0.09 -1.06 0.00 0.00 177.43 176.87 1upm h ARG 421 N 0.60 0.53 -0.53 0.81 9.65 -0.51 -1.28 114.38 123.64 1upm h ARG 421 Ca 0.14 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1upm h ARG 421 Cb 0.32 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1upm h ARG 421 CO 0.00 0.67 0.34 0.28 2.80 0.00 0.00 179.97 184.07 1upm h VAL 422 N 0.32 1.14 -0.40 0.20 2.07 -0.59 -1.90 116.25 117.09 1upm h VAL 422 Ca 0.08 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1upm h VAL 422 Cb 0.44 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1upm h VAL 422 CO 0.02 0.14 0.25 0.00 0.02 0.00 0.00 177.57 178.00 1upm h ALA 423 N 1.18 0.51 -0.28 1.67 0.00 -0.98 -0.20 119.26 121.17 1upm h ALA 423 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 423 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1upm h ALA 423 CO -0.04 -0.00 0.10 1.25 0.00 0.00 0.00 179.25 180.56 1upm h LEU 424 N 0.53 0.39 -0.82 0.00 5.85 -1.13 -1.83 115.31 118.30 1upm h LEU 424 Ca 0.15 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1upm h LEU 424 Cb -0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1upm h LEU 424 CO -0.03 0.46 0.13 -0.33 -0.34 0.00 0.00 178.44 178.33 1upm h GLU 425 N 0.29 1.01 -0.55 1.25 5.08 -1.21 0.08 114.58 120.54 1upm h GLU 425 Ca 0.09 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1upm h GLU 425 Cb 0.20 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1upm h GLU 425 CO -0.01 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 1upm h ALA 426 N 1.17 0.70 -0.66 3.43 0.00 -0.89 0.58 119.26 123.58 1upm h ALA 426 Ca 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1upm h ALA 426 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1upm h ALA 426 CO 0.01 -0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.31 1upm h VAL 428 N 0.97 1.26 -0.29 0.00 2.07 -0.69 -1.01 116.25 118.57 1upm h VAL 428 Ca 0.21 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.87 1upm h VAL 428 Cb 0.32 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1upm h VAL 428 CO -0.00 0.28 0.03 -0.61 0.02 0.00 0.00 177.57 177.29 1upm h GLN 429 N 0.17 0.12 -0.41 1.57 4.15 -0.80 -1.10 115.11 118.81 1upm h GLN 429 Ca 0.06 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1upm h GLN 429 Cb 0.42 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1upm h GLN 429 CO 0.01 0.08 0.16 0.00 -1.93 0.00 0.00 178.83 177.15 1upm h ALA 430 N 1.23 0.53 -0.26 3.38 0.00 -1.23 -0.82 119.26 122.10 1upm h ALA 430 Ca 0.13 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1upm h ALA 430 Cb 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1upm h ALA 430 CO -0.20 0.14 -0.05 -0.09 0.00 0.00 0.00 179.25 179.04 1upm h ARG 431 N 0.51 0.01 -0.21 0.00 2.43 -1.05 -1.35 114.38 114.73 1upm h ARG 431 Ca 0.14 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1upm h ARG 431 Cb 0.20 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1upm h ARG 431 CO -0.01 0.01 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.52 1upm h ASN 432 N 0.01 0.28 -0.00 -3.80 -0.26 -0.83 -1.56 115.58 109.43 1upm h ASN 432 Ca 0.12 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1upm h ASN 432 Cb 0.18 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1upm h ASN 432 CO -0.25 0.37 0.00 -0.62 -1.06 0.00 0.00 177.43 175.86 1upm n GLU 433 N -4.33 1.00 0.00 0.81 1.02 -0.35 -4.92 120.64 113.88 1upm n GLU 433 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1upm n GLU 433 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.99 0.31 3.77 0.62 0.00 -0.59 -5.06 105.19 105.22 1upm n GLY 434 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.97 3.16 -0.36 1.61 0.52 -0.55 -4.99 118.95 117.37 1upm s ARG 435 Ca 0.00 1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 56.68 1upm s ARG 435 Cb 0.00 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.50 1upm s ARG 435 CO 0.00 -1.01 0.54 0.34 0.02 0.00 0.00 175.30 175.18 1upm s ASP 436 N -1.81 6.33 0.17 0.23 -1.08 -1.26 -4.35 116.67 114.90 1upm s ASP 436 Ca 0.74 -0.03 -0.10 0.00 -0.52 0.00 0.00 52.55 52.64 1upm s ASP 436 Cb -0.25 -2.28 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 1upm s ASP 436 CO 0.31 -0.51 1.58 -0.07 0.52 0.00 0.00 175.17 177.00 1upm h LEU 437 N 9.16 1.03 -0.71 -1.34 3.38 -1.93 0.32 115.31 125.22 1upm h LEU 437 Ca -0.27 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1upm h LEU 437 Cb 1.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1upm h LEU 437 CO 0.79 1.15 0.46 0.00 0.09 0.00 0.00 178.44 180.93 1upm h ALA 438 N 0.92 0.91 0.02 1.53 0.00 -1.93 -1.24 119.26 119.47 1upm h ALA 438 Ca 0.14 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 1upm h ALA 438 Cb 0.70 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1upm h ALA 438 CO 0.05 0.27 -1.80 0.54 0.00 0.00 0.00 179.25 178.32 1upm n ARG 439 N -4.62 0.65 -0.22 0.00 1.74 -1.06 -4.34 116.66 108.81 1upm n ARG 439 Ca 0.07 0.27 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 1upm n ARG 439 Cb 0.05 -1.76 0.19 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.10 2.66 -0.06 5.56 1.02 0.11 -4.73 120.64 122.11 1upm n GLU 440 Ca -0.20 -2.17 -0.09 0.00 -0.02 0.00 0.00 57.16 54.68 1upm n GLU 440 Cb 1.06 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 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 2.78 -0.35 1.83 0.62 0.00 -1.38 -0.61 103.07 105.97 1upm h GLY 441 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 1upm h GLY 441 CO 0.00 -0.21 -0.23 3.43 0.00 0.00 0.00 176.54 179.53 1upm h ASN 442 N -0.32 0.20 0.29 0.19 -0.26 -1.86 -1.65 115.58 112.17 1upm h ASN 442 Ca 0.13 -0.05 -0.17 0.00 -0.56 0.00 0.00 56.30 55.65 1upm h ASN 442 Cb 0.54 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1upm h ASN 442 CO -0.44 0.44 -0.66 0.74 -1.06 0.00 0.00 177.43 176.44 1upm h THR 443 N 0.19 1.38 -0.14 2.81 2.02 -1.74 -0.64 112.91 116.79 1upm h THR 443 Ca 0.03 -2.06 -0.02 0.00 0.77 0.00 0.00 66.41 65.13 1upm h THR 443 Cb 0.51 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1upm h THR 443 CO 0.03 0.62 0.01 0.40 0.37 0.00 0.00 175.52 176.95 1upm h ILE 444 N 0.24 1.24 -0.17 3.11 2.04 -0.40 -1.15 117.51 122.42 1upm h ILE 444 Ca -0.02 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1upm h ILE 444 Cb 1.21 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1upm h ILE 444 CO 0.11 0.23 0.11 0.40 0.00 0.00 0.00 178.15 179.00 1upm h ILE 445 N -0.00 1.05 -0.54 -0.67 1.08 -1.30 -2.55 117.51 114.58 1upm h ILE 445 Ca 0.04 -0.10 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1upm h ILE 445 Cb 0.35 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1upm h ILE 445 CO 0.01 0.05 0.30 -0.09 -0.69 0.00 0.00 178.15 177.73 1upm h ARG 446 N 0.23 0.58 -0.91 2.37 9.65 -1.08 -1.99 114.38 123.22 1upm h ARG 446 Ca 0.06 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1upm h ARG 446 Cb -0.02 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.38 1upm h ARG 446 CO -0.01 0.38 0.59 0.93 2.80 0.00 0.00 179.97 184.66 1upm h GLU 447 N 0.59 1.12 0.00 0.20 5.08 -0.94 -2.66 114.58 117.96 1upm h GLU 447 Ca 0.23 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1upm h GLU 447 Cb 0.09 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1upm h GLU 447 CO -0.13 0.74 -0.35 0.00 -1.00 0.00 0.00 179.01 178.26 1upm h ALA 448 N 1.37 1.32 0.00 3.43 0.00 -0.97 -2.64 119.26 121.77 1upm h ALA 448 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1upm h ALA 448 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1upm h ALA 448 CO -0.11 0.44 0.00 1.79 0.00 0.00 0.00 179.25 181.37 1upm h THR 449 N 0.00 0.00 0.00 0.00 1.35 -1.05 -1.03 112.91 112.18 1upm h THR 449 Ca -0.00 -0.22 -0.07 0.00 -0.55 0.00 0.00 66.41 65.57 1upm h THR 449 Cb 0.67 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1upm h THR 449 CO 0.05 0.00 -0.32 0.11 -0.25 0.00 0.00 175.52 175.10 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 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1upm h LYS 450 CO 0.00 0.32 -0.08 -2.67 -1.08 0.00 0.00 179.45 175.94 1upm n TRP 451 N -3.30 0.00 -3.82 -1.35 4.27 -0.97 -4.91 117.44 107.36 1upm n TRP 451 Ca 0.01 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.27 1upm n TRP 451 Cb 0.57 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.40 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 -1.10 5.11 0.40 -0.67 0.15 -0.43 -4.97 113.70 112.20 1upm s SER 452 Ca 0.01 -2.23 0.12 0.00 0.70 0.00 0.00 55.95 54.55 1upm s SER 452 Cb 0.01 -1.79 0.93 0.00 -1.71 0.00 0.00 66.02 63.47 1upm s SER 452 CO 0.07 -0.47 1.91 -0.65 1.20 0.00 0.00 173.24 175.31 1upm h PRO 453 N 7.73 0.54 -0.26 5.44 0.11 -1.88 -1.02 132.00 142.66 1upm h PRO 453 Ca -0.09 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1upm h PRO 453 Cb 1.02 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1upm h PRO 453 CO 0.67 0.36 0.06 0.93 -0.21 0.00 0.00 178.00 179.80 1upm h GLU 454 N 0.55 0.43 -0.48 1.05 3.07 -1.93 -2.07 114.58 115.20 1upm h GLU 454 Ca 0.38 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1upm h GLU 454 Cb 0.69 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1upm h GLU 454 CO -0.14 0.53 -0.05 1.25 -1.40 0.00 0.00 179.01 179.20 1upm h LEU 455 N 0.26 0.87 -0.83 1.33 5.85 -1.64 -2.64 115.31 118.51 1upm h LEU 455 Ca 0.08 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1upm h LEU 455 Cb 0.29 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1upm h LEU 455 CO 0.00 1.00 0.44 0.00 -0.34 0.00 0.00 178.44 179.54 1upm h ALA 456 N 0.91 1.21 -0.17 1.25 0.00 -1.14 0.77 119.26 122.09 1upm h ALA 456 Ca 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1upm h ALA 456 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1upm h ALA 456 CO 0.03 -0.02 -0.48 0.00 0.00 0.00 0.00 179.25 178.79 1upm h ALA 457 N 1.51 0.86 -0.43 0.00 0.00 -1.21 -2.22 119.26 117.77 1upm h ALA 457 Ca 0.43 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1upm h ALA 457 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1upm h ALA 457 CO -0.31 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1upm h ALA 458 N 1.14 0.57 -0.48 0.00 0.00 -0.94 -3.01 119.26 116.54 1upm h ALA 458 Ca 0.02 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1upm h ALA 458 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1upm h ALA 458 CO 0.08 0.35 0.29 0.00 0.00 0.00 0.00 179.25 179.98 1upm h GLU 460 N 0.59 0.50 -0.54 0.00 5.08 -1.42 -1.78 114.58 117.00 1upm h GLU 460 Ca 0.19 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1upm h GLU 460 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1upm h GLU 460 CO -0.07 0.33 0.09 0.28 -1.00 0.00 0.00 179.01 178.64 1upm h VAL 461 N 0.51 1.25 -0.37 3.13 2.07 -1.36 -3.32 116.25 118.16 1upm h VAL 461 Ca 0.21 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1upm h VAL 461 Cb 0.09 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1upm h VAL 461 CO -0.13 0.34 0.00 0.79 0.02 0.00 0.00 177.57 178.59 1upm n TRP 462 N -4.37 0.53 -0.09 1.57 8.01 -1.03 -4.73 117.44 117.33 1upm n TRP 462 Ca 0.02 -0.52 0.26 0.00 -1.31 0.00 0.00 57.50 55.94 1upm n TRP 462 Cb 0.26 -0.04 0.72 0.00 -2.01 0.00 0.00 31.31 30.24 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 2.19 0.00 -0.02 -0.99 2.10 -1.43 -1.72 116.57 116.69 1upm h LYS 463 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1upm h LYS 463 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1upm h LYS 463 CO 0.01 0.00 -0.02 0.39 -2.00 0.00 0.00 179.45 177.83 1upm n GLU 464 N -4.10 2.08 -3.26 0.07 -0.58 -1.26 -4.97 120.64 108.62 1upm n GLU 464 Ca 0.15 -1.60 -0.39 0.00 -0.42 0.00 0.00 57.16 54.90 1upm n GLU 464 Cb 0.85 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 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 -2.02 5.13 0.02 -3.67 -1.09 -0.65 -5.04 121.20 113.88 1upm s ILE 465 Ca 0.31 0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 59.62 1upm s ILE 465 Cb 0.20 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1upm s ILE 465 CO 0.32 0.22 0.13 -0.54 -1.23 0.00 0.00 174.94 173.85 1upm s LYS 466 N 1.33 0.56 -0.37 2.79 1.02 -1.26 -5.04 119.74 118.76 1upm s LYS 466 Ca 0.25 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.71 1upm s LYS 466 Cb -0.15 0.23 0.11 0.00 -0.52 0.00 0.00 37.83 37.49 1upm s LYS 466 CO 0.10 -0.14 0.11 -0.06 -0.92 0.00 0.00 175.35 174.44 1upm s PHE 467 N -2.00 3.08 -0.23 3.18 0.40 -1.26 -5.08 117.98 116.06 1upm s PHE 467 Ca -0.10 -2.72 -0.00 0.00 -0.60 0.00 0.00 56.93 53.51 1upm s PHE 467 Cb -0.04 -2.56 0.06 0.00 0.51 0.00 0.00 43.02 40.99 1upm s PHE 467 CO -0.01 -0.89 -0.02 -1.21 0.70 0.00 0.00 175.22 173.79 1upm s GLU 468 N 0.81 1.26 0.08 0.44 2.02 -1.26 -4.77 118.70 117.27 1upm s GLU 468 Ca 0.12 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 1upm s GLU 468 Cb -0.20 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1upm s GLU 468 CO -0.10 -0.63 0.05 -0.06 0.02 0.00 0.00 175.26 174.54 1upm s PHE 469 N 1.55 0.50 0.22 1.61 0.40 -1.26 -5.14 117.98 115.86 1upm s PHE 469 Ca -0.03 -0.98 -0.30 0.00 -0.60 0.00 0.00 56.93 55.02 1upm s PHE 469 Cb -0.18 -0.32 -0.09 0.00 0.51 0.00 0.00 43.02 42.94 1upm s PHE 469 CO -0.08 -0.46 1.34 -2.14 0.70 0.00 0.00 175.22 174.59 1upm s PRO 470 N -3.93 4.36 0.26 0.24 0.02 -1.26 -5.00 135.00 129.68 1upm s PRO 470 Ca 0.10 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 63.00 1upm s PRO 470 Cb 0.07 -3.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1upm s PRO 470 CO -0.07 -0.29 0.85 0.00 -0.33 0.00 0.00 177.00 177.16 1upm s ALA 471 N 0.04 3.33 -0.28 -1.55 0.00 -1.26 -4.98 121.76 117.06 1upm s ALA 471 Ca 0.57 0.41 0.22 0.00 0.00 0.00 0.00 51.96 53.16 1upm s ALA 471 Cb -0.38 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 19.78 1upm s ALA 471 CO 0.40 0.24 1.19 0.52 0.00 0.00 0.00 175.76 178.11 1upm h MET 472 N 3.58 0.00 -3.71 0.00 2.86 -1.94 -3.43 114.93 112.28 1upm h MET 472 Ca -0.47 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.51 1upm h MET 472 Cb 1.20 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.47 1upm h MET 472 CO 0.66 0.04 -0.56 0.34 1.06 0.00 0.00 176.91 178.45 1upm s ASP 473 N -5.66 4.71 0.24 1.22 2.15 -1.26 -4.31 116.67 113.76 1upm s ASP 473 Ca 0.01 -2.78 0.10 0.00 0.43 0.00 0.00 52.55 50.32 1upm s ASP 473 Cb 0.08 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 40.94 1upm s ASP 473 CO 0.76 -0.31 -0.12 0.42 -0.17 0.00 0.00 175.17 175.74 1upm s THR 474 N 0.04 2.93 -1.35 1.71 -4.23 -1.26 -4.67 115.64 108.82 1upm s THR 474 Ca 0.15 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1upm s THR 474 Cb -0.23 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1upm s THR 474 CO -0.02 -0.28 0.34 0.52 -0.54 0.00 0.00 174.62 174.63