#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upp s SER 10 N 0.00 1.67 0.06 0.00 1.04 -1.26 -5.16 113.70 110.04 1upp s SER 10 Ca 0.00 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.98 1upp s SER 10 Cb 0.00 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1upp s SER 10 CO 0.00 -0.00 -0.16 -0.69 0.98 0.00 0.00 173.24 173.36 1upp s VAL 11 N -1.00 1.28 0.75 5.02 1.01 -1.26 -5.14 120.40 121.06 1upp s VAL 11 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1upp s VAL 11 Cb -0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1upp s VAL 11 CO 0.02 -0.04 0.59 -0.62 0.00 0.00 0.00 175.10 175.04 1upp n GLU 12 N 1.59 0.26 -3.01 2.72 1.02 -1.26 -4.93 120.64 117.03 1upp n GLU 12 Ca -0.19 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1upp n GLU 12 Cb 0.54 -1.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1upp n GLU 12 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1upp s PHE 13 N -1.96 3.27 -0.40 -0.32 5.36 -1.26 -5.01 117.98 117.67 1upp s PHE 13 Ca 0.66 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1upp s PHE 13 Cb -0.33 -2.99 0.11 0.00 -0.34 0.00 0.00 43.02 39.47 1upp s PHE 13 CO 0.58 -0.40 0.18 0.21 -1.46 0.00 0.00 175.22 174.32 1upp s LYS 14 N 2.71 1.89 0.99 10.12 2.20 -1.26 -5.10 119.74 131.29 1upp s LYS 14 Ca 0.30 -1.89 -0.11 0.00 -0.36 0.00 0.00 55.97 53.91 1upp s LYS 14 Cb -0.15 -3.49 0.19 0.00 -1.51 0.00 0.00 37.83 32.87 1upp s LYS 14 CO 0.09 -1.04 1.10 0.00 -0.36 0.00 0.00 175.35 175.13 1upp s ALA 15 N 0.99 0.87 0.00 3.13 0.00 -1.26 -4.79 121.76 120.69 1upp s ALA 15 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1upp s ALA 15 Cb -0.22 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1upp s ALA 15 CO -0.05 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.08 1upp n GLY 16 N 0.20 1.72 3.87 0.00 0.00 -1.26 -4.92 105.19 104.81 1upp n GLY 16 Ca 0.08 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1upp n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upp s VAL 17 N -1.92 5.01 0.25 1.61 0.11 -1.26 -0.16 120.40 124.04 1upp s VAL 17 Ca 0.00 0.43 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1upp s VAL 17 Cb 0.00 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 1upp s VAL 17 CO 0.00 0.08 0.11 -0.54 -3.33 0.00 0.00 175.10 171.42 1upp s LYS 18 N -2.46 1.39 0.42 1.54 1.02 -1.26 -4.95 119.74 115.43 1upp s LYS 18 Ca 0.42 -1.75 -0.24 0.00 0.02 0.00 0.00 55.97 54.42 1upp s LYS 18 Cb -0.13 -0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 36.96 1upp s LYS 18 CO 0.21 -0.33 1.10 -0.51 -0.92 0.00 0.00 175.35 174.90 1upp s ASP 19 N -3.29 6.51 0.15 2.83 1.01 -1.26 -4.95 116.67 117.68 1upp s ASP 19 Ca 0.38 2.16 -0.12 0.00 0.71 0.00 0.00 52.55 55.68 1upp s ASP 19 Cb 0.07 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.44 1upp s ASP 19 CO 0.14 -0.67 1.62 1.88 0.21 0.00 0.00 175.17 178.35 1upp h TYR 20 N 2.32 0.95 -0.12 4.23 0.05 -1.92 -3.18 116.97 119.30 1upp h TYR 20 Ca -0.49 -0.15 0.04 0.00 0.05 0.00 0.00 58.73 58.18 1upp h TYR 20 Cb 1.23 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1upp h TYR 20 CO 0.56 0.87 0.17 1.57 -1.05 0.00 0.00 178.16 180.28 1upp h LYS 21 N 0.75 0.00 -0.04 4.88 2.10 -1.85 0.07 116.57 122.48 1upp h LYS 21 Ca 0.15 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.81 1upp h LYS 21 Cb 0.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1upp h LYS 21 CO 0.02 0.00 0.07 -0.07 -2.00 0.00 0.00 179.45 177.47 1upp h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.87 -2.81 115.31 121.08 1upp h LEU 22 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1upp h LEU 22 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1upp h LEU 22 CO -0.00 0.00 -0.81 0.41 0.09 0.00 0.00 178.44 178.13 1upp n THR 23 N -3.46 0.00 0.38 0.22 -1.04 -0.18 -4.88 114.28 105.31 1upp n THR 23 Ca -0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.03 1upp n THR 23 Cb 0.16 -0.52 0.01 0.00 -1.82 0.00 0.00 70.33 68.15 1upp n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1upp n TYR 24 N -2.14 0.00 -3.29 -1.42 4.01 -0.17 -4.83 117.16 109.33 1upp n TYR 24 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1upp n TYR 24 Cb 0.40 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.35 1upp n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1upp s TYR 25 N -1.15 3.19 -0.40 -0.72 5.04 -1.06 -0.85 117.35 121.39 1upp s TYR 25 Ca 0.08 0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.86 1upp s TYR 25 Cb 0.07 -2.85 0.20 0.00 0.35 0.00 0.00 41.96 39.73 1upp s TYR 25 CO 0.20 -0.51 0.41 2.41 -1.34 0.00 0.00 175.55 176.72 1upp n THR 26 N 5.37 -1.00 0.30 4.34 -1.04 0.29 -4.84 114.28 117.71 1upp n THR 26 Ca -0.06 -3.66 0.19 0.00 -2.04 0.00 0.00 64.05 58.48 1upp n THR 26 Cb 0.49 -1.78 0.88 0.00 -1.82 0.00 0.00 70.33 68.10 1upp n THR 26 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1upp h PRO 27 N 4.99 0.00 -0.02 -2.82 0.13 -1.76 -3.00 132.00 129.52 1upp h PRO 27 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1upp h PRO 27 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1upp h PRO 27 CO 0.41 0.00 -0.24 0.39 -0.23 0.00 0.00 178.00 178.33 1upp n GLU 28 N -3.03 1.75 -1.69 0.86 -0.58 -1.26 -4.74 120.64 111.94 1upp n GLU 28 Ca -0.01 -1.44 -0.44 0.00 -0.42 0.00 0.00 57.16 54.85 1upp n GLU 28 Cb 0.21 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1upp n GLU 28 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1upp n TYR 29 N 0.64 2.48 -3.62 -0.32 9.36 -1.13 -5.00 117.16 119.58 1upp n TYR 29 Ca 0.11 0.22 -0.38 0.00 3.32 0.00 0.00 57.90 61.18 1upp n TYR 29 Cb 0.53 -2.58 -0.11 0.00 -0.63 0.00 0.00 39.34 36.55 1upp n TYR 29 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1upp s GLU 30 N 0.62 3.97 0.39 2.98 2.02 -1.26 -4.99 118.70 122.44 1upp s GLU 30 Ca 0.74 -0.31 -0.27 0.00 0.02 0.00 0.00 54.97 55.15 1upp s GLU 30 Cb -0.60 -3.62 -0.09 0.00 0.10 0.00 0.00 34.13 29.92 1upp s GLU 30 CO 0.39 -0.12 1.35 0.95 0.02 0.00 0.00 175.26 177.85 1upp s THR 31 N 1.57 2.48 0.27 3.63 -4.23 -1.26 -5.02 115.64 113.07 1upp s THR 31 Ca 0.07 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 60.87 1upp s THR 31 Cb -0.15 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.33 1upp s THR 31 CO 0.09 0.08 0.69 -0.76 -0.54 0.00 0.00 174.62 174.18 1upp s LEU 32 N -2.29 4.18 0.42 4.79 1.43 -1.26 -5.00 118.68 120.95 1upp s LEU 32 Ca 0.55 1.26 0.29 0.00 -1.03 0.00 0.00 54.13 55.20 1upp s LEU 32 Cb -0.40 -3.82 1.49 0.00 0.03 0.00 0.00 46.19 43.48 1upp s LEU 32 CO 0.53 -0.10 1.88 0.44 0.23 0.00 0.00 176.35 179.34 1upp h ASP 33 N 2.72 0.00 1.03 2.29 3.32 -2.03 -1.37 116.42 122.38 1upp h ASP 33 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1upp h ASP 33 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1upp h ASP 33 CO 0.66 0.00 -0.23 0.35 -1.72 0.00 0.00 179.24 178.29 1upp n THR 34 N -2.54 0.27 -1.62 0.35 -2.24 -1.26 -4.40 114.28 102.84 1upp n THR 34 Ca -0.01 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1upp n THR 34 Cb 0.10 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.07 1upp n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upp s ASP 35 N -3.76 5.14 -0.26 3.42 1.01 -0.52 -4.03 116.67 117.67 1upp s ASP 35 Ca 0.11 1.81 -0.11 0.00 0.71 0.00 0.00 52.55 55.06 1upp s ASP 35 Cb 0.15 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1upp s ASP 35 CO 0.62 -1.60 0.21 -0.63 0.21 0.00 0.00 175.17 173.98 1upp s ILE 36 N -2.72 5.31 -0.12 0.77 1.09 0.16 -4.09 121.20 121.60 1upp s ILE 36 Ca 0.62 0.24 -0.02 0.00 -1.10 0.00 0.00 60.65 60.39 1upp s ILE 36 Cb -0.17 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.66 1upp s ILE 36 CO 0.48 0.28 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.80 1upp s LEU 37 N 1.51 3.28 -0.09 2.97 1.43 -1.04 0.74 118.68 127.47 1upp s LEU 37 Ca 0.08 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1upp s LEU 37 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1upp s LEU 37 CO 0.08 0.26 -0.19 0.00 0.23 0.00 0.00 176.35 176.73 1upp s ALA 38 N -0.15 2.41 -0.43 4.21 0.00 0.13 -0.77 121.76 127.15 1upp s ALA 38 Ca 0.03 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1upp s ALA 38 Cb -0.13 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.08 1upp s ALA 38 CO 0.02 0.35 0.34 0.00 0.00 0.00 0.00 175.76 176.47 1upp s ALA 39 N 0.05 3.51 -0.17 0.00 0.00 -0.11 -1.09 121.76 123.96 1upp s ALA 39 Ca -0.08 -1.87 -0.10 0.00 0.00 0.00 0.00 51.96 49.92 1upp s ALA 39 Cb -0.15 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1upp s ALA 39 CO 0.05 -1.56 0.17 -0.06 0.00 0.00 0.00 175.76 174.36 1upp s PHE 40 N 1.67 3.48 -0.47 0.00 0.08 -0.39 -0.39 117.98 121.95 1upp s PHE 40 Ca 0.05 0.45 -0.24 0.00 0.12 0.00 0.00 56.93 57.31 1upp s PHE 40 Cb -0.21 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1upp s PHE 40 CO 0.09 0.41 0.84 0.50 -0.10 0.00 0.00 175.22 176.96 1upp s ARG 41 N -0.03 3.41 -0.11 0.44 3.52 0.77 0.22 118.95 127.16 1upp s ARG 41 Ca 0.12 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.63 1upp s ARG 41 Cb -0.12 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.30 1upp s ARG 41 CO 0.01 -1.22 -0.18 0.08 -0.81 0.00 0.00 175.30 173.18 1upp s VAL 42 N 3.50 2.62 -0.43 7.11 1.01 0.25 -2.00 120.40 132.46 1upp s VAL 42 Ca 0.31 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1upp s VAL 42 Cb -0.12 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.32 1upp s VAL 42 CO 0.22 0.54 0.16 -0.44 0.00 0.00 0.00 175.10 175.58 1upp s SER 43 N 0.29 4.52 0.60 3.32 0.01 -0.05 -1.79 113.70 120.60 1upp s SER 43 Ca -0.13 -2.59 -0.19 0.00 1.31 0.00 0.00 55.95 54.35 1upp s SER 43 Cb -0.16 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1upp s SER 43 CO 0.07 -0.30 1.22 -2.16 0.41 0.00 0.00 173.24 172.47 1upp s PRO 44 N 0.30 2.91 0.90 12.44 0.04 -1.26 0.58 135.00 150.91 1upp s PRO 44 Ca 0.14 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1upp s PRO 44 Cb -0.23 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1upp s PRO 44 CO -0.04 -1.26 0.97 1.04 0.04 0.00 0.00 177.00 177.75 1upp n GLN 45 N -1.65 -0.26 -1.62 4.56 1.13 -0.71 -4.44 117.38 114.37 1upp n GLN 45 Ca 0.14 -0.01 -0.60 0.00 -1.94 0.00 0.00 57.00 54.58 1upp n GLN 45 Cb 0.49 -2.25 -0.08 0.00 0.11 0.00 0.00 30.24 28.51 1upp n GLN 45 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1upp n PRO 46 N -3.35 0.34 0.00 -1.09 -0.02 -1.26 -2.98 135.00 126.64 1upp n PRO 46 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1upp n PRO 46 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1upp n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upp n GLY 47 N 2.80 1.58 3.33 -1.23 0.00 -1.26 -5.04 105.19 105.36 1upp n GLY 47 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1upp n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upp s VAL 48 N -2.20 4.69 0.30 1.61 1.01 -1.16 -5.06 120.40 119.59 1upp s VAL 48 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.50 1upp s VAL 48 Cb 0.00 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 1upp s VAL 48 CO 0.00 -0.51 1.13 -0.81 0.00 0.00 0.00 175.10 174.91 1upp n PRO 49 N 5.04 1.65 -0.26 2.72 -0.05 -1.26 -4.79 135.00 138.05 1upp n PRO 49 Ca -0.11 0.58 0.07 0.00 -0.05 0.00 0.00 63.50 63.99 1upp n PRO 49 Cb 0.44 -2.04 0.21 0.00 -0.05 0.00 0.00 33.50 32.06 1upp n PRO 49 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 175.50 174.45 1upp h PRO 50 N 2.31 0.28 -0.53 0.54 0.14 -1.97 -1.12 132.00 131.64 1upp h PRO 50 Ca -0.42 -0.02 0.11 0.00 0.14 0.00 0.00 66.00 65.81 1upp h PRO 50 Cb 1.32 -0.06 -0.09 0.00 0.14 0.00 0.00 31.00 32.31 1upp h PRO 50 CO 0.62 0.18 -0.02 0.93 0.14 0.00 0.00 178.00 179.85 1upp h GLU 51 N 0.29 0.09 -0.07 0.86 3.07 -1.99 0.49 114.58 117.32 1upp h GLU 51 Ca 0.45 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 59.14 1upp h GLU 51 Cb 0.79 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1upp h GLU 51 CO -0.53 0.06 -0.66 1.49 -1.40 0.00 0.00 179.01 177.97 1upp h GLU 52 N 0.10 0.30 -0.34 2.33 4.57 -1.78 -1.96 114.58 117.80 1upp h GLU 52 Ca 0.27 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1upp h GLU 52 Cb 0.41 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1upp h GLU 52 CO -0.46 0.86 -0.05 0.00 -1.18 0.00 0.00 179.01 178.17 1upp h ALA 53 N 1.08 0.46 0.00 2.92 0.00 -0.51 -0.54 119.26 122.68 1upp h ALA 53 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1upp h ALA 53 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1upp h ALA 53 CO 0.11 0.28 -0.00 0.78 0.00 0.00 0.00 179.25 180.41 1upp h GLY 54 N 0.43 -0.01 0.27 0.00 0.00 -0.00 -2.54 103.07 101.22 1upp h GLY 54 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.55 1upp h GLY 54 CO 0.03 -0.00 0.39 0.00 0.00 0.00 0.00 176.54 176.96 1upp h ALA 55 N 0.89 1.17 0.06 3.60 0.00 -1.33 -1.65 119.26 122.00 1upp h ALA 55 Ca -0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1upp h ALA 55 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1upp h ALA 55 CO 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 179.25 179.06 1upp h ALA 56 N 1.53 -0.16 -0.15 0.00 0.00 -0.96 0.22 119.26 119.74 1upp h ALA 56 Ca 0.43 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1upp h ALA 56 Cb 0.58 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1upp h ALA 56 CO -0.35 -0.61 -0.11 0.28 0.00 0.00 0.00 179.25 178.46 1upp h VAL 57 N -0.20 0.68 0.04 0.00 2.07 -1.23 0.90 116.25 118.50 1upp h VAL 57 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1upp h VAL 57 Cb 0.21 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1upp h VAL 57 CO -0.05 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.52 1upp h ALA 58 N 0.99 -0.06 -0.80 1.67 0.00 -1.01 -2.19 119.26 117.87 1upp h ALA 58 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 58 Cb 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1upp h ALA 58 CO -0.22 -0.47 0.53 0.00 0.00 0.00 0.00 179.25 179.08 1upp h ALA 59 N 0.78 1.53 -0.07 0.00 0.00 -0.43 -3.11 119.26 117.97 1upp h ALA 59 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1upp h ALA 59 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1upp h ALA 59 CO 0.01 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.04 1upp n GLU 60 N -4.45 2.15 -0.27 0.00 -0.58 0.30 0.46 120.64 118.24 1upp n GLU 60 Ca 0.11 -1.68 0.12 0.00 -0.42 0.00 0.00 57.16 55.28 1upp n GLU 60 Cb 0.13 -1.47 0.26 0.00 -0.57 0.00 0.00 31.44 29.79 1upp n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1upp n SER 61 N 1.02 3.69 0.00 1.62 3.41 -0.86 -4.75 113.62 117.75 1upp n SER 61 Ca 0.16 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1upp n SER 61 Cb 0.53 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1upp n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1upp n SER 62 N 1.55 0.00 0.00 4.04 3.41 -1.18 -4.47 113.62 116.97 1upp n SER 62 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1upp n SER 62 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1upp n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1upp n THR 63 N -0.92 0.00 -4.06 6.66 -2.24 -1.06 -4.92 114.28 107.74 1upp n THR 63 Ca 0.00 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 1upp n THR 63 Cb 0.00 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1upp n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1upp s GLY 64 N -1.26 1.44 0.02 3.38 0.00 0.17 -5.05 107.32 106.03 1upp s GLY 64 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1upp s GLY 64 CO 0.00 -1.46 0.00 -0.37 0.00 0.00 0.00 173.10 171.27 1upp n THR 65 N -1.23 0.00 0.85 0.90 5.66 -1.26 -4.21 114.28 115.00 1upp n THR 65 Ca -0.07 -0.12 0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1upp n THR 65 Cb 0.58 0.03 0.46 0.00 -1.55 0.00 0.00 70.33 69.85 1upp n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1upp n TRP 66 N -0.06 0.00 -3.70 1.09 4.27 -1.26 -4.82 117.44 112.96 1upp n TRP 66 Ca -0.01 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.46 1upp n TRP 66 Cb 0.03 -0.32 -0.08 0.00 -1.36 0.00 0.00 31.31 29.58 1upp n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1upp s THR 67 N -2.65 0.04 0.15 -1.67 -1.32 -1.26 -4.66 115.64 104.27 1upp s THR 67 Ca 0.16 -0.35 -0.31 0.00 -1.21 0.00 0.00 61.69 59.98 1upp s THR 67 Cb 0.13 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.32 1upp s THR 67 CO 0.30 -0.19 1.47 -0.89 -2.21 0.00 0.00 174.62 173.09 1upp s THR 68 N -1.25 2.96 -0.10 5.08 2.01 0.78 -4.95 115.64 120.18 1upp s THR 68 Ca -0.13 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1upp s THR 68 Cb -0.04 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1upp s THR 68 CO 0.05 0.06 -0.02 0.68 -0.69 0.00 0.00 174.62 174.70 1upp s VAL 69 N 1.03 4.11 0.53 3.82 -7.23 -1.26 -4.36 120.40 117.03 1upp s VAL 69 Ca 0.66 -0.31 0.24 0.00 -1.81 0.00 0.00 61.98 60.76 1upp s VAL 69 Cb -0.40 -2.74 0.37 0.00 0.56 0.00 0.00 36.38 34.18 1upp s VAL 69 CO 0.32 0.57 2.02 4.11 -0.31 0.00 0.00 175.10 181.81 1upp h TRP 70 N 5.57 0.00 0.00 2.82 5.08 -1.96 -3.10 115.95 124.37 1upp h TRP 70 Ca -0.46 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 1upp h TRP 70 Cb 1.19 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1upp h TRP 70 CO 0.59 0.00 -0.12 1.79 -1.28 0.00 0.00 178.44 179.42 1upp h THR 71 N 0.00 0.38 -1.50 0.12 1.35 -2.03 -1.39 112.91 109.84 1upp h THR 71 Ca 0.20 -0.69 0.45 0.00 -0.55 0.00 0.00 66.41 65.82 1upp h THR 71 Cb 0.82 1.51 -0.09 0.00 -1.73 0.00 0.00 68.15 68.66 1upp h THR 71 CO -0.00 0.12 1.03 0.44 -0.25 0.00 0.00 175.52 176.86 1upp h ASP 72 N 0.00 0.12 0.48 5.36 3.32 -1.92 0.08 116.42 123.86 1upp h ASP 72 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1upp h ASP 72 Cb 0.50 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1upp h ASP 72 CO 0.02 -0.07 0.00 1.23 -1.72 0.00 0.00 179.24 178.70 1upp h GLY 73 N 0.06 0.00 1.59 2.75 0.00 -1.51 -2.52 103.07 103.44 1upp h GLY 73 Ca 0.79 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 48.03 1upp h GLY 73 CO -0.19 0.00 -0.75 1.41 0.00 0.00 0.00 176.54 177.02 1upp h LEU 74 N 0.00 0.00 0.00 3.11 3.38 -1.18 -3.46 115.31 117.16 1upp h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upp h LEU 74 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1upp h LEU 74 CO 0.00 0.39 0.00 0.41 0.09 0.00 0.00 178.44 179.33 1upp n THR 75 N -3.05 0.00 -3.64 0.22 -1.04 -0.95 -5.08 114.28 100.75 1upp n THR 75 Ca -0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1upp n THR 75 Cb 0.71 -0.48 -0.09 0.00 -1.82 0.00 0.00 70.33 68.66 1upp n THR 75 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1upp s ASN 76 N -0.94 5.56 0.42 8.00 3.84 -1.26 -4.95 114.94 125.61 1upp s ASN 76 Ca 0.00 -2.47 0.21 0.00 0.21 0.00 0.00 52.86 50.81 1upp s ASN 76 Cb 0.00 -1.94 0.92 0.00 -0.55 0.00 0.00 41.25 39.69 1upp s ASN 76 CO 0.00 -0.50 1.85 0.25 -2.79 0.00 0.00 177.10 175.90 1upp h LEU 77 N 7.64 0.00 -1.14 3.21 5.85 -1.98 -1.87 115.31 127.02 1upp h LEU 77 Ca -0.06 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1upp h LEU 77 Cb 1.01 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1upp h LEU 77 CO 0.75 0.28 0.59 0.44 -0.34 0.00 0.00 178.44 180.16 1upp h ASP 78 N 0.00 0.93 0.61 1.25 3.32 -1.96 -2.19 116.42 118.38 1upp h ASP 78 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1upp h ASP 78 Cb 0.69 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1upp h ASP 78 CO 0.04 0.61 -0.14 -2.11 -1.72 0.00 0.00 179.24 175.91 1upp n ARG 79 N -4.47 0.31 -0.04 3.56 1.85 -0.70 -3.97 116.66 113.19 1upp n ARG 79 Ca 0.13 -0.09 -0.04 0.00 -1.00 0.00 0.00 57.85 56.85 1upp n ARG 79 Cb 0.17 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 1upp n ARG 79 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1upp n TYR 80 N -1.27 0.00 -1.57 2.89 4.01 -1.13 -4.83 117.16 115.26 1upp n TYR 80 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1upp n TYR 80 Cb 0.30 -0.38 -0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1upp n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1upp n LYS 81 N -2.38 1.19 -2.32 -0.72 2.85 -0.84 -4.55 118.16 111.39 1upp n LYS 81 Ca -0.14 0.42 -0.33 0.00 -1.05 0.00 0.00 58.31 57.22 1upp n LYS 81 Cb 0.74 -1.85 -0.02 0.00 -0.65 0.00 0.00 35.03 33.25 1upp n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1upp s GLY 82 N -0.71 2.20 -0.11 2.58 0.00 -1.26 -4.54 107.32 105.49 1upp s GLY 82 Ca 0.61 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.67 1upp s GLY 82 CO 0.58 0.67 0.06 0.50 0.00 0.00 0.00 173.10 174.91 1upp s ARG 83 N -3.83 0.16 -0.45 2.90 0.52 -0.28 -4.60 118.95 113.36 1upp s ARG 83 Ca 0.63 0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 55.63 1upp s ARG 83 Cb -0.14 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.12 1upp s ARG 83 CO 0.30 -0.48 1.23 0.00 0.02 0.00 0.00 175.30 176.36 1upp n TYR 85 N 8.13 0.00 -3.68 0.00 4.11 -0.97 0.11 117.16 124.86 1upp n TYR 85 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.94 1upp n TYR 85 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.73 1upp n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1upp s HIS 86 N -0.88 -0.74 -0.10 -3.48 5.04 -1.25 -4.34 115.29 109.53 1upp s HIS 86 Ca 0.03 1.55 0.00 0.00 -1.54 0.00 0.00 55.06 55.10 1upp s HIS 86 Cb 0.03 0.37 -0.02 0.00 0.04 0.00 0.00 32.58 33.00 1upp s HIS 86 CO 0.10 -0.39 -0.11 0.42 -2.34 0.00 0.00 174.74 172.42 1upp s ILE 87 N 1.38 3.30 -0.04 0.89 1.01 -1.26 -1.08 121.20 125.40 1upp s ILE 87 Ca -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1upp s ILE 87 Cb -0.07 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1upp s ILE 87 CO -0.14 0.55 -0.08 -1.83 0.00 0.00 0.00 174.94 173.44 1upp s GLU 88 N -0.10 1.05 0.65 2.79 -1.05 0.02 -4.99 118.70 117.07 1upp s GLU 88 Ca -0.01 -0.26 -0.18 0.00 -0.15 0.00 0.00 54.97 54.37 1upp s GLU 88 Cb -0.14 -0.97 -0.01 0.00 -0.44 0.00 0.00 34.13 32.58 1upp s GLU 88 CO 0.03 0.04 1.27 -2.30 0.95 0.00 0.00 175.26 175.26 1upp n PRO 89 N 3.60 1.10 -3.58 -4.83 -0.02 -1.26 0.15 135.00 130.15 1upp n PRO 89 Ca -0.21 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1upp n PRO 89 Cb 0.53 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 1upp n PRO 89 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upp s VAL 90 N -1.39 5.33 0.04 -1.45 1.01 -0.46 -4.68 120.40 118.80 1upp s VAL 90 Ca 0.82 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1upp s VAL 90 Cb -0.38 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1upp s VAL 90 CO 0.41 0.40 1.28 0.00 0.00 0.00 0.00 175.10 177.18 1upp s ALA 91 N 0.44 3.48 -1.13 5.51 0.00 -1.26 -2.80 121.76 126.00 1upp s ALA 91 Ca 0.14 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1upp s ALA 91 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1upp s ALA 91 CO 0.02 -0.62 0.50 0.41 0.00 0.00 0.00 175.76 176.07 1upp n GLY 92 N 3.38 -0.19 2.85 0.00 0.00 -1.26 -5.04 105.19 104.93 1upp n GLY 92 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1upp n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upp s GLU 93 N -5.45 0.07 0.41 1.61 0.41 -1.12 -5.15 118.70 109.48 1upp s GLU 93 Ca 0.25 0.03 -0.24 0.00 -0.41 0.00 0.00 54.97 54.59 1upp s GLU 93 Cb -0.11 -0.15 -0.08 0.00 -1.78 0.00 0.00 34.13 32.01 1upp s GLU 93 CO 0.30 -0.04 1.10 -1.21 -0.49 0.00 0.00 175.26 174.93 1upp s GLU 94 N 0.31 4.06 -1.54 1.61 0.41 -1.26 -4.26 118.70 118.04 1upp s GLU 94 Ca -0.03 1.64 -0.01 0.00 -0.41 0.00 0.00 54.97 56.17 1upp s GLU 94 Cb -0.04 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1upp s GLU 94 CO -0.01 -0.26 0.04 -1.71 -0.49 0.00 0.00 175.26 172.83 1upp n ASN 95 N -0.11 0.79 -3.85 -0.19 5.15 -1.26 -4.95 115.26 110.85 1upp n ASN 95 Ca 0.05 -1.26 -0.14 0.00 -0.60 0.00 0.00 54.58 52.63 1upp n ASN 95 Cb 0.48 -1.69 -0.15 0.00 -0.53 0.00 0.00 39.78 37.90 1upp n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1upp s GLN 96 N -7.34 0.09 0.03 1.20 0.74 -1.26 -4.02 119.66 109.11 1upp s GLN 96 Ca 0.01 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.46 1upp s GLN 96 Cb -0.00 -0.19 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 1upp s GLN 96 CO 0.99 -0.04 -0.06 0.71 -0.55 0.00 0.00 175.29 176.34 1upp s TYR 97 N 0.38 0.53 -0.17 1.67 1.51 -0.74 -1.35 117.35 119.18 1upp s TYR 97 Ca -0.03 -0.44 -0.21 0.00 -1.01 0.00 0.00 57.07 55.38 1upp s TYR 97 Cb -0.05 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 1upp s TYR 97 CO -0.01 -0.09 0.64 0.42 -1.11 0.00 0.00 175.55 175.40 1upp s ILE 98 N -1.19 5.02 -0.14 2.71 -1.09 0.12 -0.58 121.20 126.05 1upp s ILE 98 Ca -0.09 1.23 -0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1upp s ILE 98 Cb -0.09 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1upp s ILE 98 CO 0.00 0.14 -0.13 0.00 -1.23 0.00 0.00 174.94 173.72 1upp s TYR 100 N 0.55 3.50 -0.06 0.00 1.51 -0.24 -1.26 117.35 121.35 1upp s TYR 100 Ca -0.08 0.47 0.04 0.00 -1.01 0.00 0.00 57.07 56.49 1upp s TYR 100 Cb -0.16 -2.10 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1upp s TYR 100 CO 0.04 0.47 -0.19 0.08 -1.11 0.00 0.00 175.55 174.84 1upp s VAL 101 N -0.23 1.64 -0.15 0.71 1.01 -0.25 -2.29 120.40 120.84 1upp s VAL 101 Ca 0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1upp s VAL 101 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1upp s VAL 101 CO 0.02 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.60 1upp s ALA 102 N 0.15 3.26 -0.21 5.51 0.00 -0.03 0.18 121.76 130.63 1upp s ALA 102 Ca -0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1upp s ALA 102 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1upp s ALA 102 CO 0.04 0.30 -0.10 0.71 0.00 0.00 0.00 175.76 176.71 1upp s TYR 103 N 0.03 2.90 0.45 0.00 2.02 0.23 -1.13 117.35 121.85 1upp s TYR 103 Ca 0.03 -1.22 -0.24 0.00 -0.37 0.00 0.00 57.07 55.27 1upp s TYR 103 Cb -0.13 -2.04 -0.09 0.00 -0.40 0.00 0.00 41.96 39.30 1upp s TYR 103 CO 0.02 -0.65 1.07 -2.30 -1.57 0.00 0.00 175.55 172.11 1upp n PRO 104 N 4.73 1.42 -0.24 -1.71 -0.02 -1.26 0.40 135.00 138.31 1upp n PRO 104 Ca -0.19 0.51 0.02 0.00 -2.02 0.00 0.00 63.50 61.82 1upp n PRO 104 Cb 0.50 -2.15 0.15 0.00 -0.02 0.00 0.00 33.50 31.98 1upp n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upp h LEU 105 N 1.51 0.39 -1.81 2.45 5.85 -1.93 -1.50 115.31 120.27 1upp h LEU 105 Ca -0.46 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.51 1upp h LEU 105 Cb 1.33 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1upp h LEU 105 CO 0.57 0.21 0.62 0.44 -0.34 0.00 0.00 178.44 179.94 1upp h ASP 106 N 0.54 0.00 0.54 1.25 3.32 -1.93 -3.03 116.42 117.11 1upp h ASP 106 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1upp h ASP 106 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1upp h ASP 106 CO -0.31 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.14 1upp h LEU 107 N 0.00 0.00 -9.75 1.55 3.38 -1.62 -3.45 115.31 105.42 1upp h LEU 107 Ca 0.29 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.61 1upp h LEU 107 Cb 1.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1upp h LEU 107 CO -0.00 0.00 -0.49 -0.36 0.09 0.00 0.00 178.44 177.68 1upp s PHE 108 N -3.86 3.56 -0.09 1.13 0.08 -1.15 -5.01 117.98 112.64 1upp s PHE 108 Ca -0.01 0.41 -0.28 0.00 0.12 0.00 0.00 56.93 57.16 1upp s PHE 108 Cb 0.11 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1upp s PHE 108 CO 0.47 0.67 0.94 -2.00 -0.10 0.00 0.00 175.22 175.20 1upp s GLU 109 N -1.65 4.43 0.24 0.44 2.12 -1.26 -5.00 118.70 118.01 1upp s GLU 109 Ca 0.23 1.27 -0.31 0.00 0.36 0.00 0.00 54.97 56.52 1upp s GLU 109 Cb -0.12 -3.52 -0.13 0.00 0.26 0.00 0.00 34.13 30.61 1upp s GLU 109 CO 0.14 -0.22 1.48 0.39 -0.54 0.00 0.00 175.26 176.51 1upp n GLU 110 N 4.69 2.19 -0.95 4.30 4.71 -1.26 -2.12 120.64 132.20 1upp n GLU 110 Ca 0.06 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 58.00 1upp n GLU 110 Cb 0.49 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.44 1upp n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upp n GLY 111 N 2.41 0.36 3.09 0.62 0.00 -1.25 -4.99 105.19 105.43 1upp n GLY 111 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1upp n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upp s SER 112 N -2.14 5.16 0.27 1.61 0.15 -0.90 -4.87 113.70 112.98 1upp s SER 112 Ca 0.00 -2.70 -0.03 0.00 0.70 0.00 0.00 55.95 53.93 1upp s SER 112 Cb 0.00 -1.83 0.56 0.00 -1.71 0.00 0.00 66.02 63.04 1upp s SER 112 CO 0.00 -0.39 1.42 0.52 1.20 0.00 0.00 173.24 175.99 1upp n VAL 113 N 3.68 -0.38 -0.33 4.45 0.31 -1.26 -1.11 118.33 123.69 1upp n VAL 113 Ca 0.06 2.04 0.12 0.00 -0.01 0.00 0.00 64.34 66.55 1upp n VAL 113 Cb 0.38 -2.91 0.33 0.00 -0.91 0.00 0.00 33.84 30.74 1upp n VAL 113 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1upp h THR 114 N 0.00 0.76 -0.04 2.52 2.02 -1.92 -2.06 112.91 114.20 1upp h THR 114 Ca 0.50 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 67.23 1upp h THR 114 Cb 0.91 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1upp h THR 114 CO -0.90 0.14 -0.71 -1.13 0.37 0.00 0.00 175.52 173.29 1upp h ASN 115 N 0.77 0.70 -0.51 4.18 -0.73 -1.45 -1.91 115.58 116.62 1upp h ASN 115 Ca 0.54 -0.71 0.06 0.00 1.87 0.00 0.00 56.30 58.05 1upp h ASN 115 Cb 0.83 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.15 1upp h ASN 115 CO -0.31 1.31 0.22 -0.03 -0.37 0.00 0.00 177.43 178.25 1upp h MET 116 N 0.14 0.41 -0.29 6.67 4.05 -1.17 -2.20 114.93 122.54 1upp h MET 116 Ca -0.08 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.19 1upp h MET 116 Cb 1.38 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.08 1upp h MET 116 CO 0.14 0.27 -0.34 0.74 0.23 0.00 0.00 176.91 177.95 1upp h PHE 117 N 0.42 0.75 -0.01 1.39 -1.00 -1.45 -2.21 116.94 114.83 1upp h PHE 117 Ca 0.24 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1upp h PHE 117 Cb 0.22 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1upp h PHE 117 CO -0.14 0.90 -0.05 1.15 -1.61 0.00 0.00 178.31 178.56 1upp h THR 118 N 0.54 0.86 0.55 -1.55 2.02 -0.77 -0.30 112.91 114.26 1upp h THR 118 Ca 0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1upp h THR 118 Cb 0.85 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1upp h THR 118 CO 0.07 0.00 -0.45 0.28 0.37 0.00 0.00 175.52 175.80 1upp h SER 119 N -0.09 -1.19 1.01 4.18 0.02 -1.46 -2.62 113.55 113.40 1upp h SER 119 Ca 0.02 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1upp h SER 119 Cb 0.13 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1upp h SER 119 CO -0.06 -0.64 -0.43 0.40 -1.14 0.00 0.00 176.83 174.96 1upp h ILE 120 N -0.98 0.91 0.00 3.27 2.04 -1.30 -3.19 117.51 118.25 1upp h ILE 120 Ca -0.06 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.03 1upp h ILE 120 Cb 0.83 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1upp h ILE 120 CO -0.00 0.42 -0.32 0.55 0.00 0.00 0.00 178.15 178.80 1upp n VAL 121 N -3.44 0.61 0.32 1.67 3.14 -0.13 -4.84 118.33 115.65 1upp n VAL 121 Ca 0.00 -0.73 -0.13 0.00 -2.96 0.00 0.00 64.34 60.53 1upp n VAL 121 Cb 0.58 0.29 -0.06 0.00 -1.06 0.00 0.00 33.84 33.59 1upp n VAL 121 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1upp h GLY 122 N 0.00 -0.87 0.00 7.55 0.00 -1.36 -3.42 103.07 104.97 1upp h GLY 122 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1upp h GLY 122 CO 0.00 -0.32 -0.80 0.70 0.00 0.00 0.00 176.54 176.13 1upp n ASN 123 N -4.75 3.99 0.13 0.19 3.02 -1.26 -4.82 115.26 111.77 1upp n ASN 123 Ca -0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1upp n ASN 123 Cb 0.33 0.69 0.49 0.00 -0.61 0.00 0.00 39.78 40.67 1upp n ASN 123 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1upp n VAL 124 N -1.33 0.78 1.23 2.41 0.24 -1.26 -2.88 118.33 117.51 1upp n VAL 124 Ca 0.00 0.14 0.14 0.00 -2.04 0.00 0.00 64.34 62.58 1upp n VAL 124 Cb 0.11 -1.08 0.60 0.00 -1.47 0.00 0.00 33.84 32.00 1upp n VAL 124 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1upp n PHE 125 N -2.29 0.00 1.02 6.34 3.01 -1.26 -2.59 117.46 121.69 1upp n PHE 125 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 1upp n PHE 125 Cb 0.27 -0.31 0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1upp n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upp n GLY 126 N 1.38 -0.05 3.63 1.37 0.00 -1.14 -4.82 105.19 105.56 1upp n GLY 126 Ca 0.11 -0.62 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 1upp n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upp n PHE 127 N -0.12 1.78 -0.34 1.61 3.01 -1.07 -4.82 117.46 117.51 1upp n PHE 127 Ca 0.09 0.52 0.11 0.00 1.01 0.00 0.00 57.45 59.19 1upp n PHE 127 Cb 0.45 -2.41 0.30 0.00 -0.01 0.00 0.00 39.48 37.81 1upp n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1upp h LYS 128 N 5.37 0.71 0.00 -1.08 1.57 -1.95 -2.33 116.57 118.87 1upp h LYS 128 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1upp h LYS 128 Cb 1.31 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1upp h LYS 128 CO 0.83 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 180.18 1upp n ALA 129 N -2.36 2.36 -2.57 3.86 0.00 -1.26 -4.64 120.51 115.90 1upp n ALA 129 Ca 0.22 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 1upp n ALA 129 Cb 0.54 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 1upp n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upp s LEU 130 N -1.79 3.05 -0.04 0.00 1.43 -0.88 -1.75 118.68 118.71 1upp s LEU 130 Ca 0.28 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1upp s LEU 130 Cb 0.13 -1.78 -0.26 0.00 0.03 0.00 0.00 46.19 44.30 1upp s LEU 130 CO 0.22 0.25 0.68 0.03 0.23 0.00 0.00 176.35 177.75 1upp h ARG 131 N 4.28 0.20 -2.25 1.70 3.08 -0.08 -3.43 114.38 117.89 1upp h ARG 131 Ca -0.48 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.26 1upp h ARG 131 Cb 1.16 0.13 -0.17 0.00 0.08 0.00 0.00 29.97 31.18 1upp h ARG 131 CO 0.53 1.01 0.39 0.00 -1.07 0.00 0.00 179.97 180.83 1upp s ALA 132 N -2.60 -1.79 -0.15 0.04 0.00 -1.15 -5.03 121.76 111.10 1upp s ALA 132 Ca -0.12 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1upp s ALA 132 Cb 0.07 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1upp s ALA 132 CO 0.82 -0.57 0.50 -1.17 0.00 0.00 0.00 175.76 175.34 1upp s LEU 133 N -2.04 0.08 -0.14 0.00 2.96 -1.19 -0.87 118.68 117.48 1upp s LEU 133 Ca -0.00 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 1upp s LEU 133 Cb -0.01 1.78 0.07 0.00 0.50 0.00 0.00 46.19 48.53 1upp s LEU 133 CO -0.04 -0.27 0.29 -0.60 -1.32 0.00 0.00 176.35 174.40 1upp s ARG 134 N -0.15 0.18 -0.37 1.98 3.52 -0.84 -0.97 118.95 122.30 1upp s ARG 134 Ca -0.03 0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 56.08 1upp s ARG 134 Cb -0.03 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1upp s ARG 134 CO 0.02 -0.27 1.03 -1.17 -0.81 0.00 0.00 175.30 174.10 1upp s LEU 135 N 2.38 3.91 -0.14 -0.88 2.96 0.29 -0.16 118.68 127.04 1upp s LEU 135 Ca 0.00 0.76 -0.13 0.00 -0.22 0.00 0.00 54.13 54.55 1upp s LEU 135 Cb -0.12 -3.43 -0.25 0.00 0.50 0.00 0.00 46.19 42.89 1upp s LEU 135 CO -0.09 -0.93 0.37 -0.33 -1.32 0.00 0.00 176.35 174.05 1upp h GLU 136 N 8.44 0.20 -3.43 1.98 4.39 -1.05 -0.24 114.58 124.86 1upp h GLU 136 Ca -0.22 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 1upp h GLU 136 Cb 1.07 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 1upp h GLU 136 CO 1.03 1.16 -0.08 0.34 -1.16 0.00 0.00 179.01 180.30 1upp s ASP 137 N -7.00 -0.20 -0.02 1.42 -1.08 -1.17 -4.49 116.67 104.12 1upp s ASP 137 Ca -0.23 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 51.37 1upp s ASP 137 Cb 0.06 0.49 0.03 0.00 -1.46 0.00 0.00 42.92 42.04 1upp s ASP 137 CO 0.72 -0.91 0.01 -0.76 0.52 0.00 0.00 175.17 174.76 1upp s LEU 138 N -2.84 1.17 -0.52 -1.34 1.43 -1.26 -0.93 118.68 114.38 1upp s LEU 138 Ca 0.06 0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1upp s LEU 138 Cb 0.01 -0.14 0.10 0.00 0.03 0.00 0.00 46.19 46.19 1upp s LEU 138 CO -0.08 -0.11 0.51 -0.60 0.23 0.00 0.00 176.35 176.30 1upp s ARG 139 N 0.99 3.00 -0.38 1.70 3.00 0.05 -4.95 118.95 122.36 1upp s ARG 139 Ca -0.09 -1.49 -0.21 0.00 -1.00 0.00 0.00 55.73 52.94 1upp s ARG 139 Cb -0.13 -4.23 0.01 0.00 0.00 0.00 0.00 34.95 30.60 1upp s ARG 139 CO -0.02 -1.26 0.69 0.42 0.00 0.00 0.00 175.30 175.12 1upp s ILE 140 N 1.85 4.82 0.72 4.11 1.09 -1.26 -2.50 121.20 130.03 1upp s ILE 140 Ca 0.05 0.59 -0.15 0.00 -1.10 0.00 0.00 60.65 60.04 1upp s ILE 140 Cb -0.27 -4.15 0.03 0.00 -1.06 0.00 0.00 42.46 37.02 1upp s ILE 140 CO 0.05 -0.41 1.19 -2.16 -0.10 0.00 0.00 174.94 173.51 1upp s PRO 141 N 2.87 2.24 0.47 2.79 0.04 -1.26 -4.67 135.00 137.49 1upp s PRO 141 Ca 0.26 1.72 0.23 0.00 0.04 0.00 0.00 61.00 63.25 1upp s PRO 141 Cb -0.14 -1.85 1.19 0.00 0.04 0.00 0.00 34.50 33.74 1upp s PRO 141 CO 0.17 -1.75 1.98 -0.39 0.04 0.00 0.00 177.00 177.05 1upp h VAL 142 N -0.22 0.75 0.00 -0.36 -1.51 -1.84 -2.45 116.25 110.63 1upp h VAL 142 Ca -0.48 -0.78 -0.10 0.00 -1.23 0.00 0.00 66.70 64.11 1upp h VAL 142 Cb 1.29 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1upp h VAL 142 CO 0.50 0.19 -0.49 0.00 -1.23 0.00 0.00 177.57 176.54 1upp h ALA 143 N 1.81 1.01 -0.01 5.19 0.00 -1.91 -1.54 119.26 123.81 1upp h ALA 143 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1upp h ALA 143 Cb 0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1upp h ALA 143 CO 0.02 0.61 -0.90 -0.92 0.00 0.00 0.00 179.25 178.07 1upp h TYR 144 N 0.00 0.50 -0.43 0.00 3.20 -1.82 -3.29 116.97 115.14 1upp h TYR 144 Ca -0.00 -0.27 0.03 0.00 3.14 0.00 0.00 58.73 61.62 1upp h TYR 144 Cb 0.98 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1upp h TYR 144 CO 0.00 1.08 0.23 0.28 -1.64 0.00 0.00 178.16 178.11 1upp h VAL 145 N 0.20 1.01 0.00 1.81 2.07 -0.86 -0.86 116.25 119.62 1upp h VAL 145 Ca -0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1upp h VAL 145 Cb 1.53 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1upp h VAL 145 CO 0.15 0.09 0.00 0.11 0.02 0.00 0.00 177.57 177.94 1upp h LYS 146 N 0.47 0.00 0.00 1.57 1.79 -1.41 -2.46 116.57 116.53 1upp h LYS 146 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1upp h LYS 146 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1upp h LYS 146 CO -0.10 0.00 0.00 1.79 -1.08 0.00 0.00 179.45 180.06 1upp h THR 147 N 0.00 0.00 -3.02 -0.16 1.35 -1.27 -3.46 112.91 106.34 1upp h THR 147 Ca 0.00 -0.27 -0.61 0.00 -0.55 0.00 0.00 66.41 64.98 1upp h THR 147 Cb 0.05 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 1upp h THR 147 CO 0.00 0.00 -0.31 -0.36 -0.25 0.00 0.00 175.52 174.60 1upp s PHE 148 N -3.38 3.57 0.26 4.73 0.40 -0.93 -3.75 117.98 118.88 1upp s PHE 148 Ca 0.04 0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 1upp s PHE 148 Cb 0.09 -2.07 0.31 0.00 0.51 0.00 0.00 43.02 41.86 1upp s PHE 148 CO 0.41 0.55 1.83 0.37 0.70 0.00 0.00 175.22 179.08 1upp h GLN 149 N 3.77 1.02 0.00 0.44 4.15 -1.88 -3.50 115.11 119.11 1upp h GLN 149 Ca -0.49 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 58.75 1upp h GLN 149 Cb 1.19 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1upp h GLN 149 CO 0.67 0.84 0.00 0.41 -1.93 0.00 0.00 178.83 178.81 1upp n GLY 150 N -0.95 -1.22 3.55 2.39 0.00 -0.72 -4.84 105.19 103.41 1upp n GLY 150 Ca 0.06 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 1upp n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1upp n PRO 151 N -0.40 1.11 -0.08 1.61 -0.02 -1.24 -4.07 135.00 131.90 1upp n PRO 151 Ca 0.00 0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1upp n PRO 151 Cb 0.00 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1upp n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upp h PRO 152 N 1.61 0.31 0.00 0.52 0.11 -1.84 -3.41 132.00 129.31 1upp h PRO 152 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1upp h PRO 152 Cb 1.36 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1upp h PRO 152 CO 0.58 0.20 -0.00 0.72 -0.21 0.00 0.00 178.00 179.29 1upp n HIS 153 N -4.95 0.00 0.00 0.65 8.25 -1.26 -4.64 115.22 113.26 1upp n HIS 153 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1upp n HIS 153 Cb 0.07 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1upp n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upp n GLY 154 N 3.49 0.15 0.07 -1.41 0.00 -1.26 -4.53 105.19 101.69 1upp n GLY 154 Ca -0.00 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1upp n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upp h ILE 155 N 0.00 0.94 0.63 -0.61 2.04 -1.74 -1.44 117.51 117.32 1upp h ILE 155 Ca 0.00 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1upp h ILE 155 Cb 0.00 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1upp h ILE 155 CO 0.00 0.00 -0.43 -0.61 0.00 0.00 0.00 178.15 177.11 1upp h GLN 156 N -0.09 -0.97 -0.59 2.37 4.15 -1.89 -1.92 115.11 116.17 1upp h GLN 156 Ca -0.01 0.07 0.12 0.00 0.77 0.00 0.00 58.65 59.60 1upp h GLN 156 Cb 0.07 0.22 -0.10 0.00 0.21 0.00 0.00 27.48 27.88 1upp h GLN 156 CO 0.01 -0.65 -0.02 0.28 -1.93 0.00 0.00 178.83 176.53 1upp h VAL 157 N -1.01 0.50 -0.43 2.39 2.07 -1.79 -1.42 116.25 116.56 1upp h VAL 157 Ca -0.08 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1upp h VAL 157 Cb 0.82 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1upp h VAL 157 CO 0.05 0.02 0.17 -0.08 0.02 0.00 0.00 177.57 177.75 1upp h GLU 158 N 0.10 0.34 -0.29 1.57 4.81 -1.04 0.30 114.58 120.37 1upp h GLU 158 Ca 0.31 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1upp h GLU 158 Cb 0.49 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1upp h GLU 158 CO -0.52 0.22 -0.16 0.00 -0.73 0.00 0.00 179.01 177.82 1upp h ARG 159 N 0.35 0.51 -0.20 1.92 3.08 -1.14 -1.05 114.38 117.85 1upp h ARG 159 Ca 0.20 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1upp h ARG 159 Cb 0.17 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1upp h ARG 159 CO -0.18 0.66 -0.55 -0.44 -1.07 0.00 0.00 179.97 178.38 1upp h ASP 160 N 0.47 0.68 -0.62 7.04 3.32 -0.31 0.08 116.42 127.07 1upp h ASP 160 Ca 0.08 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 1upp h ASP 160 Cb 0.56 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1upp h ASP 160 CO 0.04 1.09 0.03 0.11 -1.72 0.00 0.00 179.24 178.79 1upp h LYS 161 N 0.47 1.08 -0.00 3.56 1.79 -0.18 -3.05 116.57 120.23 1upp h LYS 161 Ca 0.01 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1upp h LYS 161 Cb 1.11 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1upp h LYS 161 CO 0.11 1.03 -0.65 1.28 -1.08 0.00 0.00 179.45 180.14 1upp n LEU 162 N -4.19 1.10 -3.53 2.94 4.77 -0.42 -4.96 117.00 112.71 1upp n LEU 162 Ca 0.03 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 1upp n LEU 162 Cb 0.33 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1upp n LEU 162 CO 0.44 0.24 0.18 -3.20 -1.33 0.00 0.00 177.39 173.71 1upp n ASN 163 N -1.05 -4.24 -4.00 -1.43 4.05 -0.04 -4.63 115.26 103.91 1upp n ASN 163 Ca 0.07 -0.59 -0.29 0.00 0.45 0.00 0.00 54.58 54.22 1upp n ASN 163 Cb 0.36 -5.05 -0.17 0.00 1.23 0.00 0.00 39.78 36.16 1upp n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upp s LYS 164 N -5.87 2.12 0.02 1.20 1.02 -0.84 -5.03 119.74 112.36 1upp s LYS 164 Ca 0.30 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1upp s LYS 164 Cb -0.13 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1upp s LYS 164 CO 0.73 -0.22 0.01 0.71 -0.92 0.00 0.00 175.35 175.66 1upp s TYR 165 N 1.46 0.24 0.00 3.18 2.02 -1.26 -4.67 117.35 118.31 1upp s TYR 165 Ca 0.03 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1upp s TYR 165 Cb -0.13 -0.18 0.00 0.00 -0.40 0.00 0.00 41.96 41.25 1upp s TYR 165 CO -0.09 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 1upp n GLY 166 N 1.41 0.73 3.64 0.71 0.00 -1.26 -5.02 105.19 105.40 1upp n GLY 166 Ca -0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1upp n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1upp s ARG 167 N -0.82 0.05 0.59 1.61 1.70 -1.26 -5.04 118.95 115.78 1upp s ARG 167 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 55.73 55.08 1upp s ARG 167 Cb 0.00 0.02 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1upp s ARG 167 CO 0.00 -0.02 0.89 -2.30 -1.08 0.00 0.00 175.30 172.79 1upp n PRO 168 N 0.38 0.84 -2.52 3.89 -0.02 -1.20 -4.78 135.00 131.59 1upp n PRO 168 Ca 0.01 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 1upp n PRO 168 Cb 0.58 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1upp n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upp s LEU 169 N -1.46 3.61 -0.05 2.45 1.43 -0.33 -4.92 118.68 119.41 1upp s LEU 169 Ca 0.74 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1upp s LEU 169 Cb -0.43 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1upp s LEU 169 CO 0.49 -0.58 -0.16 -0.76 0.23 0.00 0.00 176.35 175.56 1upp s LEU 170 N -4.47 1.85 0.42 1.79 1.43 -1.26 0.11 118.68 118.55 1upp s LEU 170 Ca 0.51 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1upp s LEU 170 Cb -0.10 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1upp s LEU 170 CO 0.41 0.12 0.13 -0.83 0.23 0.00 0.00 176.35 176.41 1upp s GLY 171 N 0.24 2.66 -0.30 -3.19 0.00 0.10 -1.90 107.32 104.93 1upp s GLY 171 Ca -0.08 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 1upp s GLY 171 CO 0.03 -1.84 0.78 0.00 0.00 0.00 0.00 173.10 172.08 1upp s THR 173 N 2.56 4.58 0.36 0.00 2.01 -1.26 -4.32 115.64 119.56 1upp s THR 173 Ca -0.05 1.85 -0.28 0.00 0.31 0.00 0.00 61.69 63.51 1upp s THR 173 Cb -0.09 -4.19 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 1upp s THR 173 CO -0.18 0.13 1.52 -0.63 -0.69 0.00 0.00 174.62 174.76 1upp s ILE 174 N 1.16 2.03 0.50 1.82 -1.09 -1.26 -4.48 121.20 119.88 1upp s ILE 174 Ca 0.54 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 1upp s ILE 174 Cb -0.24 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1upp s ILE 174 CO 0.27 0.01 0.00 -0.54 -1.23 0.00 0.00 174.94 173.45 1upp s LYS 175 N -1.72 2.17 0.00 2.79 -0.14 -1.26 -4.32 119.74 117.26 1upp s LYS 175 Ca 0.55 -2.37 0.00 0.00 -1.36 0.00 0.00 55.97 52.79 1upp s LYS 175 Cb -0.47 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1upp s LYS 175 CO 0.60 -0.33 0.00 -0.35 -0.76 0.00 0.00 175.35 174.51 1upp n PRO 176 N -1.24 0.00 -0.37 -1.68 -0.04 -1.26 -4.99 135.00 125.42 1upp n PRO 176 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 1upp n PRO 176 Cb 0.67 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.14 1upp n PRO 176 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1upp n LYS 177 N 0.27 -0.26 -4.44 0.54 5.02 -1.26 -4.60 118.16 113.43 1upp n LYS 177 Ca 0.00 1.46 -0.26 0.00 -2.02 0.00 0.00 58.31 57.49 1upp n LYS 177 Cb 0.00 -2.16 -0.11 0.00 -0.02 0.00 0.00 35.03 32.74 1upp n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upp s LEU 178 N -10.73 2.52 0.00 -0.35 1.43 -1.26 -4.71 118.68 105.58 1upp s LEU 178 Ca -0.13 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1upp s LEU 178 Cb 0.18 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1upp s LEU 178 CO 0.66 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.94 1upp n GLY 179 N -0.14 2.19 3.75 -3.19 0.00 -1.26 -5.06 105.19 101.47 1upp n GLY 179 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1upp n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 180 N 0.00 4.62 0.80 0.99 1.43 -1.26 -5.00 118.68 120.25 1upp s LEU 180 Ca 0.00 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1upp s LEU 180 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1upp s LEU 180 CO 0.00 0.10 1.09 -0.94 0.23 0.00 0.00 176.35 176.83 1upp s SER 181 N -1.01 4.43 0.23 2.29 1.04 -1.26 -4.47 113.70 114.96 1upp s SER 181 Ca 0.42 1.44 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 1upp s SER 181 Cb -0.26 -2.18 0.32 0.00 0.10 0.00 0.00 66.02 63.99 1upp s SER 181 CO 0.33 -2.02 1.82 0.00 0.98 0.00 0.00 173.24 174.34 1upp h ALA 182 N -1.12 1.06 -0.01 5.32 0.00 -1.92 -1.18 119.26 121.40 1upp h ALA 182 Ca -0.47 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1upp h ALA 182 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1upp h ALA 182 CO 0.57 0.12 -0.14 -0.22 0.00 0.00 0.00 179.25 179.58 1upp h LYS 183 N 0.79 0.11 -1.00 0.00 1.63 -1.93 -0.19 116.57 115.97 1upp h LYS 183 Ca 0.35 -0.11 0.17 0.00 -0.85 0.00 0.00 60.65 60.21 1upp h LYS 183 Cb 0.24 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.80 1upp h LYS 183 CO -0.20 0.83 0.62 -0.91 -3.45 0.00 0.00 179.45 176.33 1upp h ASN 184 N -0.56 0.83 -0.45 4.20 -0.26 -1.94 0.37 115.58 117.76 1upp h ASN 184 Ca -0.01 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1upp h ASN 184 Cb 0.87 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.03 1upp h ASN 184 CO 0.03 0.35 0.28 0.22 -1.06 0.00 0.00 177.43 177.25 1upp h TYR 185 N 0.84 0.53 -0.43 1.19 3.20 -0.51 -1.06 116.97 120.72 1upp h TYR 185 Ca 0.55 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.41 1upp h TYR 185 Cb 0.77 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1upp h TYR 185 CO -0.00 0.32 0.16 0.78 -1.64 0.00 0.00 178.16 177.77 1upp h GLY 186 N 0.57 0.71 0.66 1.82 0.00 -0.28 -0.23 103.07 106.32 1upp h GLY 186 Ca 0.18 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1upp h GLY 186 CO -0.06 0.38 0.13 -0.09 0.00 0.00 0.00 176.54 176.90 1upp h ARG 187 N 0.56 0.28 -0.90 4.80 2.43 0.41 -1.50 114.38 120.46 1upp h ARG 187 Ca 0.14 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1upp h ARG 187 Cb 0.23 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1upp h ARG 187 CO -0.01 0.19 0.58 0.00 -1.51 0.00 0.00 179.97 179.22 1upp h ALA 188 N 1.25 1.19 -0.05 2.80 0.00 -0.62 -2.94 119.26 120.89 1upp h ALA 188 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1upp h ALA 188 Cb 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1upp h ALA 188 CO -0.18 0.43 0.03 0.28 0.00 0.00 0.00 179.25 179.81 1upp h VAL 189 N 1.12 1.02 -0.84 0.00 2.07 -0.65 -1.77 116.25 117.21 1upp h VAL 189 Ca 0.36 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 1upp h VAL 189 Cb 0.02 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1upp h VAL 189 CO -0.12 0.02 0.41 0.22 0.02 0.00 0.00 177.57 178.12 1upp h TYR 190 N 0.06 1.20 -0.09 1.57 3.20 -1.16 -1.32 116.97 120.43 1upp h TYR 190 Ca 0.02 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 1upp h TYR 190 Cb 0.01 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.90 1upp h TYR 190 CO -0.07 0.86 -0.30 0.93 -1.64 0.00 0.00 178.16 177.94 1upp h GLU 191 N 1.19 0.36 0.02 1.82 4.39 -1.50 -1.37 114.58 119.50 1upp h GLU 191 Ca 0.29 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1upp h GLU 191 Cb 0.10 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1upp h GLU 191 CO -0.04 0.89 -0.26 0.00 -1.16 0.00 0.00 179.01 178.44 1upp h LEU 193 N -0.42 -0.01 -1.24 0.00 3.38 -1.24 -3.26 115.31 112.52 1upp h LEU 193 Ca 0.06 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1upp h LEU 193 Cb 0.49 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1upp h LEU 193 CO -0.21 0.03 -0.20 0.08 0.09 0.00 0.00 178.44 178.22 1upp h ARG 194 N 0.21 0.00 -0.01 1.13 0.11 -1.30 -2.64 114.38 111.88 1upp h ARG 194 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1upp h ARG 194 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1upp h ARG 194 CO -0.29 0.20 0.00 0.41 0.10 0.00 0.00 179.97 180.39 1upp n GLY 195 N 0.03 -0.93 0.00 0.08 0.00 -1.23 -4.85 105.19 98.29 1upp n GLY 195 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1upp n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upp n GLY 196 N 0.55 1.27 3.77 -0.02 0.00 -0.99 -2.00 105.19 107.76 1upp n GLY 196 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1upp n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 197 N 0.00 4.47 0.10 0.99 1.43 -1.23 -4.80 118.68 119.63 1upp s LEU 197 Ca 0.00 1.95 -0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1upp s LEU 197 Cb 0.00 -3.83 -0.22 0.00 0.03 0.00 0.00 46.19 42.18 1upp s LEU 197 CO 0.00 -0.02 1.21 0.44 0.23 0.00 0.00 176.35 178.20 1upp h ASP 198 N 3.57 0.38 -4.95 2.29 3.32 -1.69 -3.42 116.42 115.91 1upp h ASP 198 Ca -0.46 -0.37 -0.19 0.00 0.02 0.00 0.00 57.03 56.03 1upp h ASP 198 Cb 1.20 -0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 1upp h ASP 198 CO 0.66 1.26 -0.70 -0.36 -1.72 0.00 0.00 179.24 178.38 1upp s PHE 199 N -2.81 0.50 0.00 4.55 0.08 -0.80 -1.51 117.98 117.98 1upp s PHE 199 Ca -0.04 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1upp s PHE 199 Cb 0.08 -0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 1upp s PHE 199 CO 0.87 -0.21 0.00 0.25 -0.10 0.00 0.00 175.22 176.03 1upp n THR 200 N 0.96 0.00 -1.43 0.64 -2.24 -0.90 -2.66 114.28 108.65 1upp n THR 200 Ca -0.20 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.07 1upp n THR 200 Cb 0.57 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 1upp n THR 200 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1upp n ASP 202 N 0.00 -0.83 -4.78 3.42 9.92 -0.74 -1.31 116.55 122.23 1upp n ASP 202 Ca 0.00 1.14 -0.36 0.00 -0.53 0.00 0.00 54.79 55.04 1upp n ASP 202 Cb 0.00 -0.94 -0.02 0.00 -0.64 0.00 0.00 41.12 39.52 1upp n ASP 202 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1upp s ASP 203 N -0.66 6.33 0.25 -2.24 -1.08 -1.26 -4.91 116.67 113.10 1upp s ASP 203 Ca 0.73 2.14 -0.04 0.00 -0.52 0.00 0.00 52.55 54.85 1upp s ASP 203 Cb -1.04 -2.59 0.48 0.00 -1.46 0.00 0.00 42.92 38.31 1upp s ASP 203 CO 0.56 -0.80 1.69 1.05 0.52 0.00 0.00 175.17 178.19 1upp h GLU 204 N 1.99 0.27 -0.00 4.34 9.09 -1.98 -1.73 114.58 126.56 1upp h GLU 204 Ca -0.49 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1upp h GLU 204 Cb 1.23 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1upp h GLU 204 CO 0.60 0.18 -0.06 0.27 0.05 0.00 0.00 179.01 180.05 1upp n ASN 205 N -5.15 0.35 -4.57 3.06 6.94 -1.26 -4.73 115.26 109.90 1upp n ASN 205 Ca 0.15 -0.61 -0.41 0.00 -0.02 0.00 0.00 54.58 53.68 1upp n ASN 205 Cb 0.47 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 1upp n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1upp s VAL 206 N -2.38 3.64 0.00 3.53 1.01 -0.65 -4.88 120.40 120.66 1upp s VAL 206 Ca 0.33 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1upp s VAL 206 Cb 0.20 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1upp s VAL 206 CO 0.45 -1.10 0.00 0.59 0.00 0.00 0.00 175.10 175.04 1upp n ASN 207 N 10.41 0.00 -3.68 3.32 5.03 -1.26 -4.78 115.26 124.30 1upp n ASN 207 Ca 0.14 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.43 1upp n ASN 207 Cb 0.50 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 39.10 1upp n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upp s SER 208 N 1.00 0.69 0.30 6.41 0.15 -1.26 -3.96 113.70 117.03 1upp s SER 208 Ca 0.00 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.98 1upp s SER 208 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1upp s SER 208 CO 0.00 -0.23 0.14 -1.10 1.20 0.00 0.00 173.24 173.24 1upp s GLN 209 N 2.15 1.56 0.52 5.44 1.11 -0.26 -4.88 119.66 125.30 1upp s GLN 209 Ca 0.02 -1.88 0.21 0.00 0.01 0.00 0.00 55.36 53.72 1upp s GLN 209 Cb -0.12 -0.18 1.33 0.00 -1.01 0.00 0.00 33.01 33.03 1upp s GLN 209 CO -0.05 -0.40 2.06 -1.35 0.01 0.00 0.00 175.29 175.55 1upp h PRO 210 N 2.24 0.02 0.00 2.91 0.11 -2.01 -2.20 132.00 133.07 1upp h PRO 210 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1upp h PRO 210 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1upp h PRO 210 CO 0.55 0.01 -0.20 0.27 -0.21 0.00 0.00 178.00 178.42 1upp h PHE 211 N 0.02 0.00 -0.87 0.65 -5.15 -1.95 -3.44 116.94 106.20 1upp h PHE 211 Ca 0.15 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 58.02 1upp h PHE 211 Cb 0.58 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.54 1upp h PHE 211 CO -0.00 0.00 -0.22 1.41 -2.00 0.00 0.00 178.31 177.50 1upp s MET 212 N -3.16 0.49 0.13 6.09 0.00 -0.83 -4.13 119.30 117.89 1upp s MET 212 Ca 0.08 0.78 -0.23 0.00 0.00 0.00 0.00 55.69 56.32 1upp s MET 212 Cb 0.10 0.42 -0.07 0.00 0.00 0.00 0.00 34.83 35.28 1upp s MET 212 CO 0.66 -0.63 0.69 1.03 0.00 0.00 0.00 175.02 176.77 1upp s ARG 213 N 2.87 4.42 0.23 4.11 1.81 -1.22 -1.10 118.95 130.07 1upp s ARG 213 Ca 0.16 0.99 -0.09 0.00 -1.72 0.00 0.00 55.73 55.07 1upp s ARG 213 Cb -0.13 -3.25 0.37 0.00 -0.45 0.00 0.00 34.95 31.49 1upp s ARG 213 CO -0.21 0.60 1.65 0.11 -0.68 0.00 0.00 175.30 176.78 1upp h TRP 214 N 4.41 -0.01 -0.34 -0.53 5.08 -1.88 -2.81 115.95 119.86 1upp h TRP 214 Ca -0.48 0.05 -0.11 0.00 1.08 0.00 0.00 58.89 59.43 1upp h TRP 214 Cb 1.21 0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.47 1upp h TRP 214 CO 0.66 -0.19 -0.22 -0.09 -1.28 0.00 0.00 178.44 177.32 1upp h ARG 215 N 0.13 0.75 -0.84 0.12 2.43 -1.93 -0.63 114.38 114.40 1upp h ARG 215 Ca 0.37 -0.35 0.16 0.00 -0.81 0.00 0.00 59.98 59.35 1upp h ARG 215 Cb 0.62 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 1upp h ARG 215 CO -0.58 0.97 0.41 -0.44 -1.51 0.00 0.00 179.97 178.81 1upp h ASP 216 N 0.53 0.45 -0.11 -3.80 3.32 -1.96 -2.19 116.42 112.66 1upp h ASP 216 Ca 0.07 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1upp h ASP 216 Cb 0.77 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1upp h ASP 216 CO 0.06 0.16 0.05 -0.09 -1.72 0.00 0.00 179.24 177.70 1upp h ARG 217 N 0.55 0.15 -0.05 3.56 2.43 -0.91 -2.19 114.38 117.93 1upp h ARG 217 Ca 0.48 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1upp h ARG 217 Cb 0.73 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1upp h ARG 217 CO -0.40 0.22 0.02 0.74 -1.51 0.00 0.00 179.97 179.04 1upp h PHE 218 N 0.05 0.07 -0.57 2.20 -1.00 -0.68 -0.38 116.94 116.62 1upp h PHE 218 Ca 0.04 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.92 1upp h PHE 218 Cb 0.12 -0.02 -0.11 0.00 3.61 0.00 0.00 35.95 39.54 1upp h PHE 218 CO -0.03 0.18 -0.30 1.25 -1.61 0.00 0.00 178.31 177.81 1upp h LEU 219 N -0.07 -1.03 -0.18 1.54 5.85 -1.38 0.37 115.31 120.40 1upp h LEU 219 Ca 0.02 0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.74 1upp h LEU 219 Cb 0.14 0.53 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1upp h LEU 219 CO -0.00 -0.29 -0.70 -0.26 -0.34 0.00 0.00 178.44 176.85 1upp h PHE 220 N -0.15 1.05 -0.41 1.25 0.04 -1.02 -2.08 116.94 115.63 1upp h PHE 220 Ca 0.24 -0.44 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 1upp h PHE 220 Cb 0.54 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1upp h PHE 220 CO -0.60 1.27 0.13 0.00 -0.60 0.00 0.00 178.31 178.51 1upp h ALA 222 N 1.56 0.13 0.80 0.00 0.00 0.10 0.39 119.26 122.23 1upp h ALA 222 Ca 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1upp h ALA 222 Cb 0.18 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1upp h ALA 222 CO -0.01 -0.50 -0.39 1.49 0.00 0.00 0.00 179.25 179.84 1upp h GLU 223 N -0.05 -1.04 -0.94 0.00 4.81 -0.84 0.40 114.58 116.92 1upp h GLU 223 Ca 0.14 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 1upp h GLU 223 Cb 0.26 0.24 -0.14 0.00 0.63 0.00 0.00 28.75 29.74 1upp h GLU 223 CO -0.31 -0.70 -0.47 0.00 -0.73 0.00 0.00 179.01 176.81 1upp h ALA 224 N -0.87 -0.18 -0.39 2.92 0.00 -0.89 0.37 119.26 120.23 1upp h ALA 224 Ca -0.11 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1upp h ALA 224 Cb 0.83 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1upp h ALA 224 CO 0.17 -0.78 -0.36 1.37 0.00 0.00 0.00 179.25 179.65 1upp h LEU 225 N -0.03 0.97 -0.98 0.00 8.10 0.21 -0.58 115.31 122.99 1upp h LEU 225 Ca 0.25 -0.43 -0.03 0.00 0.11 0.00 0.00 57.88 57.78 1upp h LEU 225 Cb 0.52 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.44 1upp h LEU 225 CO -0.93 1.22 0.32 1.88 -4.11 0.00 0.00 178.44 176.83 1upp h TYR 226 N 0.75 1.06 -0.89 0.17 0.05 -0.19 -1.30 116.97 116.63 1upp h TYR 226 Ca 0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1upp h TYR 226 Cb 0.95 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 1upp h TYR 226 CO 0.06 0.79 0.48 -0.22 -1.05 0.00 0.00 178.16 178.21 1upp h LYS 227 N 1.04 1.25 -0.52 4.88 3.64 -0.27 -2.67 116.57 123.94 1upp h LYS 227 Ca 0.25 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1upp h LYS 227 Cb 0.15 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1upp h LYS 227 CO -0.03 0.92 -0.09 0.00 -2.27 0.00 0.00 179.45 177.99 1upp h ALA 228 N 1.26 0.70 -0.49 5.00 0.00 -0.71 -2.00 119.26 123.03 1upp h ALA 228 Ca 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1upp h ALA 228 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1upp h ALA 228 CO -0.05 0.59 0.31 0.37 0.00 0.00 0.00 179.25 180.48 1upp h GLN 229 N 0.83 0.61 -0.74 0.00 4.15 -1.09 -1.41 115.11 117.47 1upp h GLN 229 Ca 0.14 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.58 1upp h GLN 229 Cb 0.64 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 1upp h GLN 229 CO 0.04 0.41 0.43 0.00 -1.93 0.00 0.00 178.83 177.78 1upp h ALA 230 N 1.19 1.00 -0.02 3.38 0.00 -1.42 0.77 119.26 124.16 1upp h ALA 230 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1upp h ALA 230 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1upp h ALA 230 CO -0.06 0.13 -0.03 1.49 0.00 0.00 0.00 179.25 180.79 1upp h GLU 231 N 0.79 0.05 0.00 0.00 4.81 -0.89 -3.34 114.58 116.00 1upp h GLU 231 Ca 0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1upp h GLU 231 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1upp h GLU 231 CO -0.18 0.59 -0.40 0.25 -0.73 0.00 0.00 179.01 178.54 1upp n THR 232 N -4.78 0.37 -0.76 0.32 -2.24 -0.57 -4.96 114.28 101.66 1upp n THR 232 Ca -0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1upp n THR 232 Cb 0.30 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1upp n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upp n GLY 233 N 1.35 0.00 3.72 3.38 0.00 0.25 -5.02 105.19 108.88 1upp n GLY 233 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1upp n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upp s GLU 234 N -1.53 3.06 0.26 1.61 2.02 -1.25 -5.05 118.70 117.82 1upp s GLU 234 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1upp s GLU 234 Cb 0.00 -2.86 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 1upp s GLU 234 CO 0.00 0.71 1.52 0.42 0.02 0.00 0.00 175.26 177.93 1upp s ILE 235 N -0.93 2.38 0.36 -1.63 1.01 -1.26 -4.55 121.20 116.59 1upp s ILE 235 Ca 0.14 0.32 0.08 0.00 0.00 0.00 0.00 60.65 61.19 1upp s ILE 235 Cb -0.11 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1upp s ILE 235 CO 0.03 0.05 0.08 -0.54 0.00 0.00 0.00 174.94 174.56 1upp s LYS 236 N -0.35 2.16 0.06 2.79 -0.14 -1.26 -4.89 119.74 118.10 1upp s LYS 236 Ca 0.62 -1.76 -0.08 0.00 -1.36 0.00 0.00 55.97 53.39 1upp s LYS 236 Cb -0.45 -1.97 -0.00 0.00 -1.68 0.00 0.00 37.83 33.73 1upp s LYS 236 CO 0.45 0.06 0.15 0.20 -0.76 0.00 0.00 175.35 175.45 1upp s GLY 237 N -3.78 0.12 -0.12 -3.33 0.00 -0.57 -4.78 107.32 94.85 1upp s GLY 237 Ca 0.37 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1upp s GLY 237 CO 0.21 -0.69 0.02 -1.58 0.00 0.00 0.00 173.10 171.06 1upp s HIS 238 N -3.08 0.77 -0.45 1.90 2.46 -1.26 -2.12 115.29 113.51 1upp s HIS 238 Ca -0.01 -0.43 -0.28 0.00 0.47 0.00 0.00 55.06 54.81 1upp s HIS 238 Cb 0.01 -0.88 -0.02 0.00 -0.13 0.00 0.00 32.58 31.57 1upp s HIS 238 CO -0.07 -0.45 1.82 0.71 -2.47 0.00 0.00 174.74 174.29 1upp s TYR 239 N 1.94 1.76 -0.34 3.88 2.02 -0.43 -4.68 117.35 121.51 1upp s TYR 239 Ca 0.03 0.72 -0.24 0.00 -0.37 0.00 0.00 57.07 57.21 1upp s TYR 239 Cb -0.14 -4.11 0.01 0.00 -0.40 0.00 0.00 41.96 37.32 1upp s TYR 239 CO -0.07 -2.63 0.83 -0.51 -1.57 0.00 0.00 175.55 171.60 1upp s LEU 240 N 7.81 4.08 -0.19 -1.29 1.43 -1.23 -1.79 118.68 127.50 1upp s LEU 240 Ca 0.74 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 1upp s LEU 240 Cb -0.18 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1upp s LEU 240 CO 0.28 -0.73 1.24 0.21 0.23 0.00 0.00 176.35 177.59 1upp s ASN 241 N 1.77 6.93 0.00 2.29 3.04 -1.26 -0.83 114.94 126.88 1upp s ASN 241 Ca 0.34 1.61 0.16 0.00 0.04 0.00 0.00 52.86 55.01 1upp s ASN 241 Cb -0.13 -2.54 0.51 0.00 -1.54 0.00 0.00 41.25 37.55 1upp s ASN 241 CO 0.16 -0.78 1.40 0.00 -3.04 0.00 0.00 177.10 174.83 1upp n ALA 242 N 6.68 2.47 -1.75 1.71 0.00 -0.31 -4.91 120.51 124.39 1upp n ALA 242 Ca 0.14 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 1upp n ALA 242 Cb 0.45 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1upp n ALA 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1upp s THR 243 N -1.60 2.10 0.26 0.00 2.01 -1.26 -4.43 115.64 112.72 1upp s THR 243 Ca 0.29 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 1upp s THR 243 Cb 0.16 -3.04 0.05 0.00 0.01 0.00 0.00 72.50 69.67 1upp s THR 243 CO 0.22 0.00 0.83 0.00 -0.69 0.00 0.00 174.62 174.99 1upp s ALA 244 N -1.28 -1.25 0.20 7.40 0.00 -1.26 -4.86 121.76 120.71 1upp s ALA 244 Ca 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1upp s ALA 244 Cb -0.41 0.74 0.14 0.00 0.00 0.00 0.00 23.12 23.59 1upp s ALA 244 CO 0.50 -1.03 1.51 0.78 0.00 0.00 0.00 175.76 177.52 1upp h GLY 245 N 2.00 0.54 -2.39 0.00 0.00 -1.95 -3.46 103.07 97.82 1upp h GLY 245 Ca -0.25 -0.64 -0.37 0.00 0.00 0.00 0.00 47.33 46.08 1upp h GLY 245 CO 0.30 0.57 -0.64 -0.51 0.00 0.00 0.00 176.54 176.26 1upp s THR 246 N -3.94 0.82 0.25 4.70 -4.23 -1.26 -5.02 115.64 106.95 1upp s THR 246 Ca -0.07 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 1upp s THR 246 Cb 0.11 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.51 1upp s THR 246 CO 0.83 -0.18 1.67 0.00 -0.54 0.00 0.00 174.62 176.40 1upp h GLU 248 N 0.45 -0.26 -0.73 0.00 3.07 -1.99 0.12 114.58 115.25 1upp h GLU 248 Ca 0.06 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1upp h GLU 248 Cb 0.76 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.68 1upp h GLU 248 CO 0.06 -0.14 0.45 -0.44 -1.40 0.00 0.00 179.01 177.54 1upp h ASP 249 N -0.30 0.73 0.04 1.42 5.19 -1.90 -1.55 116.42 120.05 1upp h ASP 249 Ca -0.03 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1upp h ASP 249 Cb 0.23 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 1upp h ASP 249 CO 0.04 0.49 -0.36 -0.03 -3.12 0.00 0.00 179.24 176.27 1upp h MET 250 N 0.87 -0.52 -0.16 3.56 4.05 -0.40 -2.63 114.93 119.69 1upp h MET 250 Ca 0.30 0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1upp h MET 250 Cb 0.06 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1upp h MET 250 CO -0.13 -0.35 -0.11 0.52 0.23 0.00 0.00 176.91 177.07 1upp h MET 251 N -0.54 0.25 -0.64 0.39 2.86 -0.54 -1.22 114.93 115.49 1upp h MET 251 Ca 0.05 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 1upp h MET 251 Cb 0.60 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1upp h MET 251 CO -0.26 0.37 0.44 0.87 1.06 0.00 0.00 176.91 179.39 1upp h LYS 252 N 0.24 0.22 0.06 1.72 1.57 -0.91 -2.11 116.57 117.36 1upp h LYS 252 Ca 0.05 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1upp h LYS 252 Cb 0.35 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1upp h LYS 252 CO 0.02 0.15 -0.40 0.00 -0.57 0.00 0.00 179.45 178.65 1upp h ARG 253 N 0.23 0.16 -0.41 3.15 3.08 -1.13 -2.73 114.38 116.73 1upp h ARG 253 Ca 0.31 -0.25 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1upp h ARG 253 Cb 0.90 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.96 1upp h ARG 253 CO -0.06 1.10 -0.19 0.00 -1.07 0.00 0.00 179.97 179.74 1upp h ALA 254 N 0.08 0.12 -0.50 0.04 0.00 -1.38 0.35 119.26 117.97 1upp h ALA 254 Ca -0.07 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1upp h ALA 254 Cb 1.28 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1upp h ALA 254 CO 0.07 -0.55 0.25 0.28 0.00 0.00 0.00 179.25 179.31 1upp h VAL 255 N -0.11 0.97 -0.57 0.00 2.07 -1.46 0.81 116.25 117.96 1upp h VAL 255 Ca 0.20 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1upp h VAL 255 Cb 0.42 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1upp h VAL 255 CO -0.48 0.09 0.18 0.15 0.02 0.00 0.00 177.57 177.53 1upp h PHE 256 N 0.50 0.87 -0.37 1.57 3.57 -1.12 0.17 116.94 122.13 1upp h PHE 256 Ca 0.22 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1upp h PHE 256 Cb 0.11 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1upp h PHE 256 CO -0.10 0.70 0.14 0.00 -2.23 0.00 0.00 178.31 176.82 1upp h ALA 257 N 1.37 0.48 -0.37 2.41 0.00 -0.16 -1.23 119.26 121.76 1upp h ALA 257 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1upp h ALA 257 Cb 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1upp h ALA 257 CO -0.01 0.10 -0.40 -0.09 0.00 0.00 0.00 179.25 178.85 1upp h ARG 258 N 0.45 -0.22 -0.93 0.00 1.12 -0.77 -2.51 114.38 111.52 1upp h ARG 258 Ca 0.12 0.02 0.21 0.00 -1.11 0.00 0.00 59.98 59.21 1upp h ARG 258 Cb 0.21 0.05 -0.12 0.00 -0.01 0.00 0.00 29.97 30.10 1upp h ARG 258 CO -0.01 -0.15 0.50 1.49 -3.11 0.00 0.00 179.97 178.69 1upp h GLU 259 N -0.23 0.54 0.00 0.20 4.81 -0.69 -2.10 114.58 117.11 1upp h GLU 259 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1upp h GLU 259 Cb 0.40 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1upp h GLU 259 CO -0.47 0.36 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.00 1upp h LEU 260 N 0.56 0.00 0.00 1.64 3.38 -0.98 -3.47 115.31 116.44 1upp h LEU 260 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1upp h LEU 260 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1upp h LEU 260 CO -0.45 0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.79 1upp n GLY 261 N -0.05 0.78 3.89 0.83 0.00 -0.79 -5.05 105.19 104.81 1upp n GLY 261 Ca -0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1upp n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upp s VAL 262 N -2.00 4.75 -0.68 1.61 -7.23 -1.24 -5.03 120.40 110.58 1upp s VAL 262 Ca 0.00 0.45 0.26 0.00 -1.81 0.00 0.00 61.98 60.88 1upp s VAL 262 Cb 0.00 -3.84 0.29 0.00 0.56 0.00 0.00 36.38 33.39 1upp s VAL 262 CO 0.00 -0.94 1.74 1.55 -0.31 0.00 0.00 175.10 177.14 1upp h PRO 263 N -0.02 0.00 -1.88 4.82 0.13 -1.91 -3.44 132.00 129.70 1upp h PRO 263 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1upp h PRO 263 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1upp h PRO 263 CO 0.62 0.00 0.13 -1.50 -0.23 0.00 0.00 178.00 177.01 1upp s ILE 264 N -3.12 0.00 0.46 -3.56 2.07 -1.26 0.77 121.20 116.56 1upp s ILE 264 Ca 0.10 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.38 1upp s ILE 264 Cb 0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 1upp s ILE 264 CO 0.61 0.00 0.03 0.68 -1.91 0.00 0.00 174.94 174.35 1upp s VAL 265 N 1.44 1.63 0.31 4.00 -7.23 -0.47 -3.55 120.40 116.52 1upp s VAL 265 Ca -0.09 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1upp s VAL 265 Cb -0.05 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1upp s VAL 265 CO -0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.58 1upp s MET 266 N -3.82 1.63 -0.15 4.82 0.23 -0.01 -0.91 119.30 121.09 1upp s MET 266 Ca 0.22 -1.85 -0.17 0.00 -1.03 0.00 0.00 55.69 52.86 1upp s MET 266 Cb 0.05 -1.23 0.04 0.00 -1.53 0.00 0.00 34.83 32.17 1upp s MET 266 CO 0.12 0.01 0.45 -1.58 -2.03 0.00 0.00 175.02 171.99 1upp s HIS 267 N -2.97 -0.48 -0.82 3.16 5.04 0.09 -1.17 115.29 118.15 1upp s HIS 267 Ca 0.31 1.12 -0.17 0.00 -1.54 0.00 0.00 55.06 54.79 1upp s HIS 267 Cb 0.05 0.18 0.16 0.00 0.04 0.00 0.00 32.58 33.01 1upp s HIS 267 CO 0.14 -0.28 0.88 -0.51 -2.34 0.00 0.00 174.74 172.63 1upp s ASP 268 N -0.00 6.60 0.43 9.88 1.01 -1.26 -1.91 116.67 131.42 1upp s ASP 268 Ca -0.02 -2.21 0.09 0.00 0.71 0.00 0.00 52.55 51.12 1upp s ASP 268 Cb -0.03 -2.30 0.95 0.00 1.01 0.00 0.00 42.92 42.55 1upp s ASP 268 CO 0.01 -0.86 2.07 0.10 0.21 0.00 0.00 175.17 176.71 1upp h TYR 269 N 8.44 0.39 0.00 4.23 -0.00 -1.87 -0.95 116.97 127.21 1upp h TYR 269 Ca 0.04 0.01 -0.24 0.00 -0.00 0.00 0.00 58.73 58.54 1upp h TYR 269 Cb 1.04 -0.13 -0.04 0.00 -0.00 0.00 0.00 36.73 37.60 1upp h TYR 269 CO 1.04 0.26 -1.81 1.28 -0.00 0.00 0.00 178.16 178.93 1upp n LEU 270 N -4.48 0.55 0.01 0.10 4.77 -1.26 0.11 117.00 116.80 1upp n LEU 270 Ca 0.01 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1upp n LEU 270 Cb 0.08 0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1upp n LEU 270 CO 0.35 0.29 -0.29 0.71 -1.33 0.00 0.00 177.39 177.12 1upp h THR 271 N 0.00 1.16 0.14 -5.08 1.35 -1.71 -3.18 112.91 105.59 1upp h THR 271 Ca -0.29 -2.95 -0.01 0.00 -0.55 0.00 0.00 66.41 62.62 1upp h THR 271 Cb 1.82 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.84 1upp h THR 271 CO 0.05 0.69 -0.07 1.23 -0.25 0.00 0.00 175.52 177.17 1upp h GLY 272 N 3.13 -0.19 0.00 5.82 0.00 -1.31 -3.50 103.07 107.01 1upp h GLY 272 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1upp h GLY 272 CO 0.10 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1upp n GLY 273 N -0.87 2.65 0.34 4.60 0.00 0.29 -4.63 105.19 107.57 1upp n GLY 273 Ca -0.09 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.34 1upp n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1upp h PHE 274 N 0.00 0.65 0.21 1.61 0.04 -1.87 -1.43 116.94 116.15 1upp h PHE 274 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1upp h PHE 274 Cb 0.00 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.93 1upp h PHE 274 CO 0.00 0.37 -0.10 1.15 -0.60 0.00 0.00 178.31 179.13 1upp h THR 275 N 0.66 0.83 -0.13 -1.55 2.02 -1.92 -0.82 112.91 112.00 1upp h THR 275 Ca 0.26 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 1upp h THR 275 Cb 0.18 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1upp h THR 275 CO -0.07 0.03 -0.23 0.00 0.37 0.00 0.00 175.52 175.62 1upp h ALA 276 N 0.43 1.37 -0.52 6.16 0.00 -1.77 -2.34 119.26 122.58 1upp h ALA 276 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1upp h ALA 276 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1upp h ALA 276 CO 0.05 0.44 -0.07 -0.97 0.00 0.00 0.00 179.25 178.69 1upp h ASN 277 N 0.21 0.97 0.01 0.00 -0.73 -1.03 -1.14 115.58 113.87 1upp h ASN 277 Ca 0.04 -0.34 -0.00 0.00 1.87 0.00 0.00 56.30 57.87 1upp h ASN 277 Cb 0.53 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1upp h ASN 277 CO 0.04 1.08 -0.01 0.74 -0.37 0.00 0.00 177.43 178.91 1upp h THR 278 N 0.84 1.13 -0.81 -3.57 2.02 -0.97 0.29 112.91 111.84 1upp h THR 278 Ca 0.14 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 67.00 1upp h THR 278 Cb 0.62 1.43 -0.14 0.00 -1.74 0.00 0.00 68.15 68.33 1upp h THR 278 CO 0.04 0.11 -0.38 0.74 0.37 0.00 0.00 175.52 176.41 1upp h THR 279 N -0.21 0.07 -0.49 3.16 2.02 -1.44 -1.51 112.91 114.51 1upp h THR 279 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1upp h THR 279 Cb 0.20 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1upp h THR 279 CO 0.00 0.00 0.08 0.25 0.37 0.00 0.00 175.52 176.22 1upp h LEU 280 N -0.08 0.73 -0.36 2.58 5.85 -0.68 -2.31 115.31 121.04 1upp h LEU 280 Ca 0.29 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1upp h LEU 280 Cb 0.57 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1upp h LEU 280 CO -0.85 0.75 0.19 -1.28 -0.34 0.00 0.00 178.44 176.90 1upp h SER 281 N 0.74 0.46 -0.36 1.25 0.87 0.58 -1.32 113.55 115.77 1upp h SER 281 Ca 0.16 -0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1upp h SER 281 Cb 0.34 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1upp h SER 281 CO 0.01 0.44 -0.02 0.45 -0.53 0.00 0.00 176.83 177.17 1upp h HIS 282 N 0.45 -0.07 -0.70 2.24 3.86 -1.31 -1.92 115.15 117.70 1upp h HIS 282 Ca 0.13 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1upp h HIS 282 Cb 0.09 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1upp h HIS 282 CO -0.02 -0.09 0.34 -0.92 0.86 0.00 0.00 177.93 178.10 1upp h TYR 283 N 0.07 0.99 -0.14 2.45 3.20 -1.00 -0.98 116.97 121.56 1upp h TYR 283 Ca 0.17 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 1upp h TYR 283 Cb 0.25 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1upp h TYR 283 CO -0.27 0.72 -0.65 0.00 -1.64 0.00 0.00 178.16 176.32 1upp h ARG 285 N 0.39 0.54 0.00 0.00 9.65 -1.02 0.82 114.38 124.76 1upp h ARG 285 Ca -0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1upp h ARG 285 Cb 1.22 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1upp h ARG 285 CO 0.12 0.36 0.00 -0.25 2.80 0.00 0.00 179.97 183.00 1upp n ASP 286 N -4.91 0.28 0.00 -3.80 8.00 -0.40 -3.33 116.55 112.39 1upp n ASP 286 Ca 0.13 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1upp n ASP 286 Cb 0.35 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1upp n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1upp n ASN 287 N -1.78 0.50 -2.53 -2.24 3.02 -0.94 -5.03 115.26 106.26 1upp n ASN 287 Ca 0.05 -1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 53.24 1upp n ASN 287 Cb 0.28 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 1upp n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upp n GLY 288 N -0.07 -0.48 3.77 7.41 0.00 0.25 -5.02 105.19 111.05 1upp n GLY 288 Ca 0.00 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1upp n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 289 N -6.08 4.47 0.68 0.99 1.43 -1.02 -4.94 118.68 114.21 1upp s LEU 289 Ca 0.10 1.31 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1upp s LEU 289 Cb -0.04 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1upp s LEU 289 CO 0.12 0.14 1.15 -0.76 0.23 0.00 0.00 176.35 177.24 1upp s LEU 290 N -0.51 3.39 -0.23 1.79 1.43 0.23 -4.61 118.68 120.17 1upp s LEU 290 Ca 0.33 2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 55.57 1upp s LEU 290 Cb -0.20 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.52 1upp s LEU 290 CO 0.20 -1.85 0.04 -0.22 0.23 0.00 0.00 176.35 174.75 1upp s LEU 291 N -4.89 1.54 -0.24 1.79 2.96 -1.26 -1.37 118.68 117.21 1upp s LEU 291 Ca 0.71 -1.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1upp s LEU 291 Cb -0.24 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 1upp s LEU 291 CO 0.42 -0.33 0.25 -2.28 -1.32 0.00 0.00 176.35 173.09 1upp s HIS 292 N 1.76 3.30 -0.26 5.38 5.65 -0.09 -0.19 115.29 130.84 1upp s HIS 292 Ca 0.01 0.32 -0.05 0.00 0.25 0.00 0.00 55.06 55.59 1upp s HIS 292 Cb -0.17 -2.39 0.01 0.00 -1.18 0.00 0.00 32.58 28.84 1upp s HIS 292 CO -0.13 -0.04 0.01 0.42 -0.65 0.00 0.00 174.74 174.35 1upp s ILE 293 N 1.41 3.52 0.16 0.89 -1.09 0.03 -0.73 121.20 125.39 1upp s ILE 293 Ca 0.11 -0.73 -0.22 0.00 -2.23 0.00 0.00 60.65 57.58 1upp s ILE 293 Cb -0.15 -2.76 -0.08 0.00 -1.58 0.00 0.00 42.46 37.90 1upp s ILE 293 CO 0.07 0.20 0.72 -2.28 -1.23 0.00 0.00 174.94 172.42 1upp s HIS 294 N 1.45 3.82 -0.33 3.97 5.65 -0.80 -3.22 115.29 125.83 1upp s HIS 294 Ca 0.03 1.49 0.07 0.00 0.25 0.00 0.00 55.06 56.89 1upp s HIS 294 Cb -0.16 -2.67 0.47 0.00 -1.18 0.00 0.00 32.58 29.04 1upp s HIS 294 CO -0.01 0.49 1.39 2.89 -0.65 0.00 0.00 174.74 178.85 1upp n ARG 295 N 1.40 2.67 -1.82 2.88 1.85 -1.26 -2.89 116.66 119.48 1upp n ARG 295 Ca -0.06 -3.64 -0.41 0.00 -1.00 0.00 0.00 57.85 52.74 1upp n ARG 295 Cb 0.50 -2.05 -0.01 0.00 -1.05 0.00 0.00 32.46 29.85 1upp n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upp s ALA 296 N -3.48 3.68 0.00 2.89 0.00 -1.26 0.01 121.76 123.60 1upp s ALA 296 Ca 0.49 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1upp s ALA 296 Cb 0.42 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1upp s ALA 296 CO 0.00 -0.96 0.00 -0.12 0.00 0.00 0.00 175.76 174.68 1upp n MET 297 N 1.69 0.00 -0.18 0.00 0.00 -1.26 -4.26 117.12 113.11 1upp n MET 297 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1upp n MET 297 Cb 0.38 -0.47 0.09 0.00 0.00 0.00 0.00 33.22 33.23 1upp n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upp h HIS 298 N 0.00 0.20 -0.71 1.12 -0.00 -0.83 -1.83 115.15 113.10 1upp h HIS 298 Ca 0.00 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 1upp h HIS 298 Cb 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1upp h HIS 298 CO 0.00 -0.01 0.47 0.00 -0.00 0.00 0.00 177.93 178.39 1upp h ALA 299 N 1.44 1.96 -0.99 6.11 0.00 -1.92 0.24 119.26 126.10 1upp h ALA 299 Ca 0.29 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.56 1upp h ALA 299 Cb 0.41 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.93 1upp h ALA 299 CO -0.37 -0.12 0.43 0.28 0.00 0.00 0.00 179.25 179.47 1upp h VAL 300 N 0.52 0.08 0.05 0.00 2.07 -1.74 -2.80 116.25 114.43 1upp h VAL 300 Ca 0.33 -0.03 -0.38 0.00 0.82 0.00 0.00 66.70 67.45 1upp h VAL 300 Cb 0.60 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1upp h VAL 300 CO -0.11 0.01 -2.24 -0.38 0.02 0.00 0.00 177.57 174.87 1upp n ILE 301 N -5.26 1.61 0.29 4.57 5.41 0.61 -4.72 119.36 121.87 1upp n ILE 301 Ca 0.33 -0.56 0.11 0.00 1.00 0.00 0.00 62.75 63.63 1upp n ILE 301 Cb 1.10 -1.60 0.20 0.00 -0.71 0.00 0.00 39.64 38.63 1upp n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1upp n ASP 302 N -3.47 3.38 -0.03 4.38 5.68 0.21 -2.62 116.55 124.07 1upp n ASP 302 Ca -0.41 -1.97 -0.16 0.00 -0.50 0.00 0.00 54.79 51.76 1upp n ASP 302 Cb 0.99 -0.23 -0.09 0.00 -1.14 0.00 0.00 41.12 40.65 1upp n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1upp h ARG 303 N 4.25 0.44 -6.03 0.11 9.65 -1.75 -3.42 114.38 117.64 1upp h ARG 303 Ca 0.00 -0.36 -0.57 0.00 -1.10 0.00 0.00 59.98 57.95 1upp h ARG 303 Cb 0.95 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.55 1upp h ARG 303 CO 0.00 0.99 -0.04 -0.65 2.80 0.00 0.00 179.97 183.08 1upp s GLN 304 N -3.65 4.30 0.44 0.20 -1.52 -1.26 -3.94 119.66 114.22 1upp s GLN 304 Ca -0.13 0.68 0.17 0.00 -1.95 0.00 0.00 55.36 54.13 1upp s GLN 304 Cb 0.05 -3.35 1.09 0.00 -0.22 0.00 0.00 33.01 30.58 1upp s GLN 304 CO 0.80 0.35 1.92 -0.22 -0.25 0.00 0.00 175.29 177.90 1upp h LYS 305 N 5.77 0.36 0.00 2.91 3.64 -1.90 -3.24 116.57 124.11 1upp h LYS 305 Ca -0.45 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.65 1upp h LYS 305 Cb 1.20 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1upp h LYS 305 CO 0.70 0.24 -1.67 0.27 -2.27 0.00 0.00 179.45 176.72 1upp n ASN 306 N -4.47 0.80 -3.67 4.20 6.94 -1.26 -4.86 115.26 112.94 1upp n ASN 306 Ca 0.14 0.37 -0.15 0.00 -0.02 0.00 0.00 54.58 54.92 1upp n ASN 306 Cb 0.55 0.10 -0.14 0.00 -2.36 0.00 0.00 39.78 37.93 1upp n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1upp s HIS 307 N -2.70 -0.29 0.00 -2.53 5.04 -1.22 -3.19 115.29 110.40 1upp s HIS 307 Ca -0.05 0.77 0.00 0.00 -1.54 0.00 0.00 55.06 54.24 1upp s HIS 307 Cb 0.08 -0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.56 1upp s HIS 307 CO 0.82 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 173.34 1upp n GLY 308 N 5.19 0.23 3.06 1.59 0.00 -0.14 -4.40 105.19 110.73 1upp n GLY 308 Ca -0.08 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1upp n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upp s MET 309 N -1.65 1.02 0.52 1.61 -1.94 -1.08 -0.55 119.30 117.23 1upp s MET 309 Ca 0.00 -0.40 -0.20 0.00 -1.71 0.00 0.00 55.69 53.37 1upp s MET 309 Cb 0.00 -0.97 -0.07 0.00 2.01 0.00 0.00 34.83 35.81 1upp s MET 309 CO 0.00 0.21 1.12 -1.58 -0.01 0.00 0.00 175.02 174.76 1upp s HIS 310 N -0.12 2.77 0.54 -0.03 2.46 -0.10 -3.61 115.29 117.19 1upp s HIS 310 Ca 0.02 1.55 0.24 0.00 0.47 0.00 0.00 55.06 57.34 1upp s HIS 310 Cb -0.06 -3.26 1.42 0.00 -0.13 0.00 0.00 32.58 30.54 1upp s HIS 310 CO -0.00 -1.42 2.03 0.35 -2.47 0.00 0.00 174.74 173.23 1upp h PHE 311 N 1.42 0.00 -0.40 3.88 3.57 -1.91 -2.91 116.94 120.59 1upp h PHE 311 Ca -0.50 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.94 1upp h PHE 311 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1upp h PHE 311 CO 0.53 0.00 -0.00 0.07 -2.23 0.00 0.00 178.31 176.68 1upp h ARG 312 N 0.00 0.64 0.10 1.11 0.11 -1.92 0.14 114.38 114.55 1upp h ARG 312 Ca 0.18 -0.15 0.02 0.00 0.10 0.00 0.00 59.98 60.13 1upp h ARG 312 Cb 0.77 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 31.72 1upp h ARG 312 CO -0.00 0.66 -0.32 0.28 0.10 0.00 0.00 179.97 180.69 1upp h VAL 313 N 0.61 0.32 -0.86 0.08 2.07 -1.74 -0.36 116.25 116.36 1upp h VAL 313 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1upp h VAL 313 Cb 0.38 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1upp h VAL 313 CO 0.01 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.10 1upp h LEU 314 N -0.53 0.95 -0.63 2.57 3.38 -1.13 -2.19 115.31 117.71 1upp h LEU 314 Ca 0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1upp h LEU 314 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1upp h LEU 314 CO -0.20 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 178.95 1upp h ALA 315 N 1.49 0.84 0.10 1.53 0.00 -0.64 -0.96 119.26 121.61 1upp h ALA 315 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upp h ALA 315 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1upp h ALA 315 CO -0.09 0.66 -0.05 0.87 0.00 0.00 0.00 179.25 180.64 1upp h LYS 316 N 0.93 -0.13 -0.61 0.00 1.57 -0.65 -0.13 116.57 117.55 1upp h LYS 316 Ca 0.16 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1upp h LYS 316 Cb 0.60 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 1upp h LYS 316 CO 0.04 0.06 -0.20 0.00 -0.57 0.00 0.00 179.45 178.78 1upp h ALA 317 N 0.59 0.30 -0.96 3.86 0.00 -1.41 -1.78 119.26 119.86 1upp h ALA 317 Ca -0.01 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1upp h ALA 317 Cb 0.25 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1upp h ALA 317 CO 0.02 -0.49 0.62 1.25 0.00 0.00 0.00 179.25 180.66 1upp h LEU 318 N -0.05 1.12 -1.25 0.00 7.12 -0.78 -1.77 115.31 119.71 1upp h LEU 318 Ca 0.29 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 1upp h LEU 318 Cb 0.49 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 1upp h LEU 318 CO -0.65 0.82 0.33 -0.09 -0.13 0.00 0.00 178.44 178.72 1upp h ARG 319 N 1.31 0.84 0.23 1.25 2.43 -0.22 -0.81 114.38 119.42 1upp h ARG 319 Ca 0.35 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1upp h ARG 319 Cb -0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1upp h ARG 319 CO -0.07 0.63 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.82 1upp h LEU 320 N 0.85 -0.31 -0.98 3.80 3.38 -0.92 -3.28 115.31 117.85 1upp h LEU 320 Ca 0.22 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.32 1upp h LEU 320 Cb 0.04 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 1upp h LEU 320 CO -0.03 -0.20 -0.49 -1.28 0.09 0.00 0.00 178.44 176.53 1upp h SER 321 N -0.33 -1.79 0.00 -0.43 0.87 -1.41 -1.91 113.55 108.56 1upp h SER 321 Ca -0.03 0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1upp h SER 321 Cb 0.26 0.85 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1upp h SER 321 CO 0.04 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.69 1upp n GLY 322 N -1.36 4.06 3.52 5.77 0.00 -0.31 -4.48 105.19 112.39 1upp n GLY 322 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.97 1upp n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upp s GLY 323 N 0.00 0.28 0.11 -0.02 0.00 -1.25 -4.74 107.32 101.70 1upp s GLY 323 Ca 0.00 3.50 0.10 0.00 0.00 0.00 0.00 44.72 48.33 1upp s GLY 323 CO 0.00 2.91 1.15 -0.55 0.00 0.00 0.00 173.10 176.61 1upp h ASP 324 N 6.10 0.00 -4.33 1.64 3.32 -0.96 -3.39 116.42 118.80 1upp h ASP 324 Ca -0.23 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.27 1upp h ASP 324 Cb 1.15 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 1upp h ASP 324 CO 0.17 0.88 -0.84 -1.00 -1.72 0.00 0.00 179.24 176.73 1upp s HIS 325 N -2.75 1.59 0.01 4.55 3.76 -0.74 -1.50 115.29 120.21 1upp s HIS 325 Ca 0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 1upp s HIS 325 Cb 0.09 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 1upp s HIS 325 CO 0.81 -0.03 -0.03 -1.50 -0.85 0.00 0.00 174.74 173.14 1upp s ILE 326 N -0.42 0.20 0.34 0.60 2.07 -0.79 -0.79 121.20 122.41 1upp s ILE 326 Ca 0.07 -0.56 -0.28 0.00 -1.41 0.00 0.00 60.65 58.46 1upp s ILE 326 Cb -0.07 -0.26 -0.10 0.00 0.13 0.00 0.00 42.46 42.16 1upp s ILE 326 CO -0.01 -0.24 1.35 -1.00 -1.91 0.00 0.00 174.94 173.14 1upp s HIS 327 N -0.80 2.93 0.00 3.50 3.76 -1.20 -0.21 115.29 123.27 1upp s HIS 327 Ca -0.07 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1upp s HIS 327 Cb -0.06 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.87 1upp s HIS 327 CO -0.00 -2.14 0.59 -1.13 -0.85 0.00 0.00 174.74 171.22 1upp n SER 328 N 0.70 0.60 0.00 1.40 3.41 0.83 -4.73 113.62 115.83 1upp n SER 328 Ca 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1upp n SER 328 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1upp n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upp n GLY 329 N -0.14 -1.33 0.02 5.00 0.00 -1.24 -4.94 105.19 102.56 1upp n GLY 329 Ca 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1upp n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upp n THR 330 N -1.26 0.18 0.00 2.61 -2.24 -1.26 -4.24 114.28 108.06 1upp n THR 330 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1upp n THR 330 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1upp n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1upp n VAL 331 N -1.96 0.00 0.69 2.28 0.31 -1.26 -4.47 118.33 113.92 1upp n VAL 331 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.39 1upp n VAL 331 Cb 0.40 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.31 1upp n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1upp n VAL 332 N 0.00 0.08 -1.33 2.52 0.24 -1.26 -4.64 118.33 113.94 1upp n VAL 332 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1upp n VAL 332 Cb 0.00 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1upp n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upp n GLY 333 N 1.41 1.07 0.19 7.63 0.00 -1.26 -4.21 105.19 110.02 1upp n GLY 333 Ca 0.02 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.28 1upp n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upp h LYS 334 N 0.00 0.00 -6.28 1.61 2.10 -1.49 -3.44 116.57 109.07 1upp h LYS 334 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 1upp h LYS 334 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1upp h LYS 334 CO 0.00 0.00 -0.62 -0.51 -2.00 0.00 0.00 179.45 176.32 1upp s LEU 335 N -5.38 3.55 0.26 7.07 1.43 -1.26 -5.04 118.68 119.31 1upp s LEU 335 Ca 0.05 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1upp s LEU 335 Cb 0.09 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 1upp s LEU 335 CO 0.54 0.11 1.12 -0.70 0.23 0.00 0.00 176.35 177.65 1upp s GLU 336 N -2.82 4.60 -0.30 1.70 2.12 -1.26 -4.54 118.70 118.20 1upp s GLU 336 Ca 0.28 1.82 -0.18 0.00 0.36 0.00 0.00 54.97 57.26 1upp s GLU 336 Cb -0.10 -3.20 0.20 0.00 0.26 0.00 0.00 34.13 31.28 1upp s GLU 336 CO 0.20 0.14 1.25 0.20 -0.54 0.00 0.00 175.26 176.51 1upp s GLY 337 N -0.62 0.41 0.09 -1.50 0.00 -1.26 -4.92 107.32 99.50 1upp s GLY 337 Ca 0.46 3.69 -0.25 0.00 0.00 0.00 0.00 44.72 48.63 1upp s GLY 337 CO 0.40 3.08 0.75 -0.54 0.00 0.00 0.00 173.10 176.79 1upp s GLU 338 N 1.60 4.50 0.19 2.90 0.41 -1.26 -4.22 118.70 122.82 1upp s GLU 338 Ca -0.04 1.07 -0.18 0.00 -0.41 0.00 0.00 54.97 55.40 1upp s GLU 338 Cb -0.02 -3.32 0.15 0.00 -1.78 0.00 0.00 34.13 29.17 1upp s GLU 338 CO -0.13 0.41 1.61 -0.09 -0.49 0.00 0.00 175.26 176.56 1upp h ARG 339 N 5.13 -0.12 -0.12 1.61 2.43 -1.98 -1.46 114.38 119.86 1upp h ARG 339 Ca -0.45 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1upp h ARG 339 Cb 1.21 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1upp h ARG 339 CO 0.69 -0.08 0.04 -0.44 -1.51 0.00 0.00 179.97 178.67 1upp h ASP 340 N -0.12 0.18 -0.55 -3.80 3.32 -1.93 0.16 116.42 113.67 1upp h ASP 340 Ca 0.25 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1upp h ASP 340 Cb 0.51 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1upp h ASP 340 CO -0.63 0.32 0.30 0.40 -1.72 0.00 0.00 179.24 177.91 1upp h ILE 341 N 0.02 1.18 0.11 0.35 2.04 -1.72 -2.14 117.51 117.35 1upp h ILE 341 Ca 0.04 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1upp h ILE 341 Cb 0.20 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1upp h ILE 341 CO -0.00 0.20 -0.05 0.74 0.00 0.00 0.00 178.15 179.04 1upp h THR 342 N 0.80 1.07 -0.53 -0.27 2.02 -1.01 -0.86 112.91 114.13 1upp h THR 342 Ca 0.20 -1.20 0.10 0.00 0.77 0.00 0.00 66.41 66.28 1upp h THR 342 Cb 0.04 1.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.15 1upp h THR 342 CO -0.03 0.27 0.05 -0.07 0.37 0.00 0.00 175.52 176.11 1upp h LEU 343 N -0.76 -0.13 -0.03 2.58 3.38 -0.71 -0.67 115.31 118.98 1upp h LEU 343 Ca -0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1upp h LEU 343 Cb 0.55 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1upp h LEU 343 CO 0.03 -0.04 -0.03 1.23 0.09 0.00 0.00 178.44 179.72 1upp h GLY 344 N 0.17 -2.12 2.00 0.83 0.00 -1.31 -1.21 103.07 101.43 1upp h GLY 344 Ca 0.27 0.93 -0.08 0.00 0.00 0.00 0.00 47.33 48.45 1upp h GLY 344 CO -0.41 -0.79 -0.40 0.27 0.00 0.00 0.00 176.54 175.21 1upp h PHE 345 N -0.01 0.00 -0.70 5.60 -5.15 -0.39 -2.31 116.94 113.98 1upp h PHE 345 Ca 0.01 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1upp h PHE 345 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.16 1upp h PHE 345 CO -0.71 0.40 0.46 0.28 -2.00 0.00 0.00 178.31 176.74 1upp h VAL 346 N 0.00 1.18 -1.00 0.88 2.07 -0.96 0.18 116.25 118.60 1upp h VAL 346 Ca -0.00 -0.32 0.17 0.00 0.82 0.00 0.00 66.70 67.36 1upp h VAL 346 Cb 0.88 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1upp h VAL 346 CO 0.05 0.17 0.61 0.44 0.02 0.00 0.00 177.57 178.86 1upp h ASP 347 N 0.94 0.81 0.25 0.57 3.32 -0.67 -1.98 116.42 119.66 1upp h ASP 347 Ca 0.25 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.30 1upp h ASP 347 Cb -0.11 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1upp h ASP 347 CO -0.06 0.32 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.36 1upp h LEU 348 N 0.81 0.17 -0.10 1.55 3.38 -0.81 -2.62 115.31 117.68 1upp h LEU 348 Ca 0.55 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 58.24 1upp h LEU 348 Cb 0.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1upp h LEU 348 CO -0.36 0.52 -1.02 -0.07 0.09 0.00 0.00 178.44 177.61 1upp h LEU 349 N 0.14 0.31 0.00 1.67 3.38 -0.27 -3.42 115.31 117.12 1upp h LEU 349 Ca 0.02 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1upp h LEU 349 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1upp h LEU 349 CO 0.05 1.15 -1.69 0.54 0.09 0.00 0.00 178.44 178.58 1upp n ARG 350 N -3.59 1.70 -2.84 1.13 1.74 -0.79 -1.06 116.66 112.95 1upp n ARG 350 Ca -0.05 -0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.80 1upp n ARG 350 Cb 0.90 -1.28 0.04 0.00 -1.02 0.00 0.00 32.46 31.10 1upp n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1upp s ASP 351 N -4.07 5.29 0.00 0.55 1.01 -1.00 -4.36 116.67 114.09 1upp s ASP 351 Ca -0.05 -0.35 0.13 0.00 0.71 0.00 0.00 52.55 52.99 1upp s ASP 351 Cb 0.04 -0.49 -0.20 0.00 1.01 0.00 0.00 42.92 43.28 1upp s ASP 351 CO 0.46 -1.11 0.77 -0.78 0.21 0.00 0.00 175.17 174.72 1upp h ASP 352 N 0.24 0.00 -3.49 0.27 3.58 -1.90 -3.45 116.42 111.66 1upp h ASP 352 Ca -0.39 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 56.67 1upp h ASP 352 Cb 1.29 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 42.00 1upp h ASP 352 CO 0.46 0.90 -0.77 -0.47 -2.88 0.00 0.00 179.24 176.48 1upp s TYR 353 N -2.69 0.67 -0.12 0.28 5.04 -1.26 -0.41 117.35 118.86 1upp s TYR 353 Ca -0.04 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.40 1upp s TYR 353 Cb 0.08 -0.60 0.04 0.00 0.35 0.00 0.00 41.96 41.83 1upp s TYR 353 CO 0.82 -0.17 0.05 0.99 -1.34 0.00 0.00 175.55 175.90 1upp s THR 354 N 0.85 0.17 0.38 4.34 2.01 -0.87 -4.99 115.64 117.54 1upp s THR 354 Ca -0.11 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.60 1upp s THR 354 Cb -0.14 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1upp s THR 354 CO 0.00 -0.01 1.14 -0.70 -0.69 0.00 0.00 174.62 174.36 1upp s GLU 355 N 2.04 4.15 0.14 4.92 2.12 -1.26 -0.57 118.70 130.24 1upp s GLU 355 Ca 0.03 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 1upp s GLU 355 Cb -0.14 -2.73 -0.17 0.00 0.26 0.00 0.00 34.13 31.35 1upp s GLU 355 CO -0.06 -0.22 0.64 1.17 -0.54 0.00 0.00 175.26 176.24 1upp n LYS 356 N 0.20 0.00 -3.21 4.30 4.81 -1.26 -4.74 118.16 118.26 1upp n LYS 356 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1upp n LYS 356 Cb 0.47 -1.09 -0.02 0.00 0.02 0.00 0.00 35.03 34.41 1upp n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1upp s ASP 357 N -0.71 -1.21 0.57 3.14 -1.08 0.88 -4.93 116.67 113.32 1upp s ASP 357 Ca 0.68 -0.59 0.35 0.00 -0.52 0.00 0.00 52.55 52.48 1upp s ASP 357 Cb -0.98 1.81 1.55 0.00 -1.46 0.00 0.00 42.92 43.84 1upp s ASP 357 CO 0.54 -0.22 2.05 0.03 0.52 0.00 0.00 175.17 178.09 1upp h ARG 358 N 7.32 0.00 0.00 4.34 2.47 -1.93 -0.29 114.38 126.29 1upp h ARG 358 Ca 0.03 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 1upp h ARG 358 Cb 1.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1upp h ARG 358 CO 0.13 0.00 -0.40 0.66 0.56 0.00 0.00 179.97 180.93 1upp h SER 359 N 0.00 0.00 -0.53 7.04 4.64 -1.95 -2.74 113.55 120.01 1upp h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1upp h SER 359 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1upp h SER 359 CO 0.00 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.90 1upp n ARG 360 N -3.69 4.05 -1.26 4.77 1.74 -0.20 -4.77 116.66 117.29 1upp n ARG 360 Ca -0.01 -2.96 -0.09 0.00 -0.77 0.00 0.00 57.85 54.02 1upp n ARG 360 Cb 0.49 -2.02 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1upp n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upp n GLY 361 N 0.58 1.05 3.46 -0.13 0.00 -0.97 -4.45 105.19 104.73 1upp n GLY 361 Ca 0.25 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1upp n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upp s ILE 362 N -2.26 4.38 -0.85 -0.61 1.01 -0.69 -4.93 121.20 117.25 1upp s ILE 362 Ca 0.00 -0.60 0.27 0.00 0.00 0.00 0.00 60.65 60.32 1upp s ILE 362 Cb 0.00 -4.72 0.24 0.00 0.01 0.00 0.00 42.46 38.00 1upp s ILE 362 CO 0.00 -1.49 1.80 -1.22 0.00 0.00 0.00 174.94 174.03 1upp n TYR 363 N 7.54 0.49 -3.81 3.97 4.02 -1.26 -0.09 117.16 128.02 1upp n TYR 363 Ca 0.03 0.14 -0.13 0.00 -0.01 0.00 0.00 57.90 57.93 1upp n TYR 363 Cb 0.46 -0.72 -0.13 0.00 -0.02 0.00 0.00 39.34 38.93 1upp n TYR 363 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1upp s PHE 364 N -3.06 -0.12 0.25 -0.72 0.08 -1.26 -4.87 117.98 108.28 1upp s PHE 364 Ca 0.12 0.33 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1upp s PHE 364 Cb 0.15 -0.01 -0.10 0.00 -0.57 0.00 0.00 43.02 42.50 1upp s PHE 364 CO 0.58 -0.09 1.43 0.99 -0.10 0.00 0.00 175.22 178.03 1upp s THR 365 N 0.40 2.70 -0.13 0.64 2.01 -1.26 -4.09 115.64 115.91 1upp s THR 365 Ca -0.03 0.59 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 1upp s THR 365 Cb -0.04 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1upp s THR 365 CO -0.02 0.10 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.33 1upp s GLN 366 N -0.39 1.77 0.13 4.92 2.00 0.26 -4.87 119.66 123.48 1upp s GLN 366 Ca 0.59 -0.39 0.05 0.00 -2.00 0.00 0.00 55.36 53.60 1upp s GLN 366 Cb -0.41 -1.81 -0.04 0.00 0.80 0.00 0.00 33.01 31.54 1upp s GLN 366 CO 0.43 -0.28 0.09 -1.12 -0.50 0.00 0.00 175.29 173.91 1upp s SER 367 N 1.62 5.38 -0.04 6.67 0.01 -1.26 -2.04 113.70 124.04 1upp s SER 367 Ca 0.04 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.24 1upp s SER 367 Cb -0.13 -1.38 0.11 0.00 0.21 0.00 0.00 66.02 64.83 1upp s SER 367 CO -0.09 0.12 1.06 0.79 0.41 0.00 0.00 173.24 175.53 1upp n TRP 368 N 0.06 0.04 -3.59 2.43 7.02 0.46 -4.70 117.44 119.16 1upp n TRP 368 Ca -0.09 -0.65 -0.13 0.00 -1.02 0.00 0.00 57.50 55.60 1upp n TRP 368 Cb 0.53 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 1upp n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1upp n VAL 369 N -0.73 -0.90 -1.24 -0.99 0.24 -1.26 -0.52 118.33 112.93 1upp n VAL 369 Ca 0.06 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.34 62.13 1upp n VAL 369 Cb 0.39 -0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 1upp n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upp n SER 370 N -0.19 -5.77 -4.66 -1.34 7.64 -1.26 -4.98 113.62 103.06 1upp n SER 370 Ca -0.06 0.21 -0.48 0.00 1.01 0.00 0.00 58.87 59.56 1upp n SER 370 Cb 0.19 -4.03 -0.05 0.00 -1.01 0.00 0.00 64.21 59.31 1upp n SER 370 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1upp n THR 371 N -2.15 0.07 -1.45 0.44 -1.04 0.32 -4.88 114.28 105.59 1upp n THR 371 Ca -0.08 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 1upp n THR 371 Cb 0.57 -1.44 0.08 0.00 -1.82 0.00 0.00 70.33 67.73 1upp n THR 371 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1upp s PRO 372 N 1.23 2.27 0.51 -2.82 0.02 -1.26 -4.91 135.00 130.04 1upp s PRO 372 Ca 0.82 1.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.38 1upp s PRO 372 Cb -0.74 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 31.93 1upp s PRO 372 CO 0.41 -1.69 0.75 0.20 -0.33 0.00 0.00 177.00 176.34 1upp s GLY 373 N -2.43 1.66 -0.07 0.52 0.00 -1.26 -4.70 107.32 101.05 1upp s GLY 373 Ca 0.70 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1upp s GLY 373 CO 0.46 -0.87 -0.09 0.14 0.00 0.00 0.00 173.10 172.75 1upp s VAL 374 N -2.70 3.54 -0.25 1.40 1.01 -0.23 -2.18 120.40 120.99 1upp s VAL 374 Ca 0.52 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 1upp s VAL 374 Cb -0.10 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1upp s VAL 374 CO 0.39 0.59 0.82 -0.22 0.00 0.00 0.00 175.10 176.69 1upp s LEU 375 N -0.75 4.08 0.42 3.92 2.96 -0.56 -4.18 118.68 124.57 1upp s LEU 375 Ca 0.11 1.00 -0.26 0.00 -0.22 0.00 0.00 54.13 54.77 1upp s LEU 375 Cb -0.11 -3.17 -0.09 0.00 0.50 0.00 0.00 46.19 43.32 1upp s LEU 375 CO 0.01 -0.52 1.35 -2.16 -1.32 0.00 0.00 176.35 173.71 1upp s PRO 376 N 2.84 3.87 -0.16 0.98 0.04 -1.25 -1.88 135.00 139.43 1upp s PRO 376 Ca 0.34 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1upp s PRO 376 Cb -0.15 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1upp s PRO 376 CO 0.08 -0.61 -0.19 0.08 0.04 0.00 0.00 177.00 176.39 1upp s VAL 377 N -1.24 2.22 -0.27 -0.36 1.01 0.70 -0.73 120.40 121.74 1upp s VAL 377 Ca 0.58 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1upp s VAL 377 Cb -0.40 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1upp s VAL 377 CO 0.51 0.54 0.34 0.00 0.00 0.00 0.00 175.10 176.49 1upp s ALA 378 N 0.99 3.56 0.05 5.51 0.00 -0.08 -0.12 121.76 131.67 1upp s ALA 378 Ca -0.02 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1upp s ALA 378 Cb -0.15 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1upp s ALA 378 CO -0.05 -0.61 0.24 0.45 0.00 0.00 0.00 175.76 175.79 1upp s SER 379 N 1.61 -0.02 0.00 0.00 0.15 -1.26 -0.63 113.70 113.55 1upp s SER 379 Ca 0.14 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1upp s SER 379 Cb -0.16 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1upp s SER 379 CO 0.10 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1upp n GLY 380 N 0.52 0.79 2.20 9.45 0.00 -1.26 -4.47 105.19 112.42 1upp n GLY 380 Ca -0.18 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1upp n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upp n GLY 381 N 0.33 0.34 3.92 -0.02 0.00 -1.26 -1.64 105.19 106.87 1upp n GLY 381 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1upp n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upp s ILE 382 N -2.41 5.14 0.04 -0.61 -4.36 -1.26 -4.26 121.20 113.48 1upp s ILE 382 Ca 0.00 -0.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1upp s ILE 382 Cb 0.00 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1upp s ILE 382 CO 0.00 -0.12 0.06 0.00 0.24 0.00 0.00 174.94 175.12 1upp n HIS 383 N -0.61 -0.58 0.23 1.37 1.44 -1.26 -4.19 115.22 111.61 1upp n HIS 383 Ca -0.07 -0.28 0.07 0.00 -2.01 0.00 0.00 57.72 55.43 1upp n HIS 383 Cb 0.54 0.07 0.61 0.00 0.12 0.00 0.00 29.99 31.33 1upp n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1upp h VAL 384 N 1.12 1.02 0.00 0.61 -1.51 -1.92 0.93 116.25 116.51 1upp h VAL 384 Ca -0.03 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1upp h VAL 384 Cb 0.14 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1upp h VAL 384 CO 0.04 0.02 0.00 -0.50 -1.23 0.00 0.00 177.57 175.91 1upp h TRP 385 N 0.06 0.00 -0.00 5.19 4.06 -1.95 -2.04 115.95 121.26 1upp h TRP 385 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1upp h TRP 385 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1upp h TRP 385 CO 0.00 0.00 -0.11 0.72 -3.56 0.00 0.00 178.44 175.49 1upp n HIS 386 N -2.91 0.00 -0.20 0.49 8.25 0.32 -4.33 115.22 116.84 1upp n HIS 386 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1upp n HIS 386 Cb 0.38 -0.16 0.09 0.00 1.12 0.00 0.00 29.99 31.42 1upp n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1upp h MET 387 N 0.70 0.53 0.15 -0.41 4.05 -1.41 -2.05 114.93 116.49 1upp h MET 387 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1upp h MET 387 Cb 0.36 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1upp h MET 387 CO 0.00 0.35 -0.07 -1.35 0.23 0.00 0.00 176.91 176.07 1upp h PRO 388 N 0.54 -0.20 -0.64 0.39 0.11 -1.81 -0.97 132.00 129.43 1upp h PRO 388 Ca 0.28 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.41 1upp h PRO 388 Cb 0.24 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1upp h PRO 388 CO -0.21 0.03 0.42 0.00 -0.21 0.00 0.00 178.00 178.02 1upp h ALA 389 N 0.42 0.81 0.13 -0.75 0.00 -1.77 -0.46 119.26 117.64 1upp h ALA 389 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1upp h ALA 389 Cb 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1upp h ALA 389 CO 0.03 0.23 -0.06 -0.07 0.00 0.00 0.00 179.25 179.39 1upp h LEU 390 N 0.86 -0.14 -0.33 0.00 3.38 -1.03 0.23 115.31 118.28 1upp h LEU 390 Ca 0.24 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.24 1upp h LEU 390 Cb -0.09 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1upp h LEU 390 CO -0.06 -0.06 -0.08 0.74 0.09 0.00 0.00 178.44 179.07 1upp h THR 391 N -0.21 0.67 -0.17 0.22 2.02 -0.92 -0.10 112.91 114.42 1upp h THR 391 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1upp h THR 391 Cb 0.17 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1upp h THR 391 CO 0.03 0.00 0.05 -0.08 0.37 0.00 0.00 175.52 175.89 1upp h GLU 392 N -0.00 0.24 0.13 6.66 4.22 -0.93 0.87 114.58 125.76 1upp h GLU 392 Ca 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 1upp h GLU 392 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1upp h GLU 392 CO -0.34 0.22 -0.06 0.82 -2.18 0.00 0.00 179.01 177.47 1upp h ILE 393 N 0.24 0.01 0.00 2.32 2.04 -0.48 -3.38 117.51 118.26 1upp h ILE 393 Ca 0.06 -0.89 -0.20 0.00 1.00 0.00 0.00 64.86 64.83 1upp h ILE 393 Cb 0.09 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1upp h ILE 393 CO -0.00 0.00 -1.16 -0.26 0.00 0.00 0.00 178.15 176.73 1upp h PHE 394 N -1.04 0.00 -0.71 1.37 0.04 -1.08 -3.49 116.94 112.03 1upp h PHE 394 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1upp h PHE 394 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1upp h PHE 394 CO 0.00 0.82 0.00 0.41 -0.60 0.00 0.00 178.31 178.95 1upp n GLY 395 N 1.39 -0.90 0.20 -1.45 0.00 0.30 -4.17 105.19 100.57 1upp n GLY 395 Ca -0.06 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.88 1upp n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1upp h ASP 396 N 0.00 0.00 -2.26 1.61 5.19 -1.89 -3.37 116.42 115.70 1upp h ASP 396 Ca 0.00 0.00 -0.78 0.00 -0.62 0.00 0.00 57.03 55.63 1upp h ASP 396 Cb 0.00 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 39.30 1upp h ASP 396 CO 0.00 0.33 1.34 0.47 -3.12 0.00 0.00 179.24 178.25 1upp n ASP 397 N -3.61 5.61 -3.87 6.45 8.00 -1.26 -3.21 116.55 124.66 1upp n ASP 397 Ca -0.01 -3.19 -0.09 0.00 0.71 0.00 0.00 54.79 52.22 1upp n ASP 397 Cb 0.45 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.10 1upp n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1upp s SER 398 N 0.32 -0.19 -0.19 -2.24 1.04 -1.26 -3.94 113.70 107.23 1upp s SER 398 Ca 0.36 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1upp s SER 398 Cb 0.04 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1upp s SER 398 CO 0.03 -1.15 -0.13 -0.69 0.98 0.00 0.00 173.24 172.28 1upp s VAL 399 N -3.94 1.73 -0.21 5.02 1.01 0.09 -1.18 120.40 122.92 1upp s VAL 399 Ca 0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1upp s VAL 399 Cb -0.02 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1upp s VAL 399 CO 0.04 0.27 0.18 -0.76 0.00 0.00 0.00 175.10 174.82 1upp s LEU 400 N 1.37 4.17 -0.08 3.92 1.43 0.31 -0.90 118.68 128.91 1upp s LEU 400 Ca 0.00 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1upp s LEU 400 Cb -0.15 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1upp s LEU 400 CO -0.09 0.11 -0.23 -1.10 0.23 0.00 0.00 176.35 175.27 1upp s GLN 401 N 0.72 2.68 -0.42 1.70 -0.21 0.20 0.00 119.66 124.33 1upp s GLN 401 Ca 0.09 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.66 1upp s GLN 401 Cb -0.12 -2.12 0.14 0.00 1.00 0.00 0.00 33.01 31.90 1upp s GLN 401 CO 0.02 0.23 0.25 -0.06 -2.12 0.00 0.00 175.29 173.61 1upp s PHE 402 N 0.19 1.63 0.00 0.91 0.40 0.14 -4.24 117.98 117.00 1upp s PHE 402 Ca -0.13 -2.23 0.00 0.00 -0.60 0.00 0.00 56.93 53.97 1upp s PHE 402 Cb -0.16 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1upp s PHE 402 CO 0.06 -0.79 0.00 0.41 0.70 0.00 0.00 175.22 175.60 1upp n GLY 403 N 3.57 1.67 0.32 4.36 0.00 -1.26 -2.61 105.19 111.25 1upp n GLY 403 Ca 0.12 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.33 1upp n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1upp h GLY 404 N 0.00 1.76 2.00 -0.02 0.00 -1.92 0.18 103.07 105.08 1upp h GLY 404 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1upp h GLY 404 CO 0.00 -0.48 0.00 0.61 0.00 0.00 0.00 176.54 176.67 1upp n GLY 405 N -1.34 -0.95 0.41 4.60 0.00 -1.26 -0.37 105.19 106.29 1upp n GLY 405 Ca 0.28 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 1upp n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1upp n THR 406 N -2.25 0.97 1.59 2.61 -1.04 0.51 -4.54 114.28 112.13 1upp n THR 406 Ca -0.01 -0.26 0.12 0.00 -2.04 0.00 0.00 64.05 61.86 1upp n THR 406 Cb 0.07 -1.66 0.54 0.00 -1.82 0.00 0.00 70.33 67.47 1upp n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upp n LEU 407 N -3.70 1.00 0.00 -4.42 4.32 -0.45 -2.88 117.00 110.88 1upp n LEU 407 Ca -0.34 -0.38 0.10 0.00 -0.02 0.00 0.00 56.01 55.37 1upp n LEU 407 Cb 0.76 -0.04 -0.06 0.00 -1.62 0.00 0.00 43.42 42.46 1upp n LEU 407 CO 0.04 0.19 0.03 0.61 -1.22 0.00 0.00 177.39 177.04 1upp n GLY 408 N 1.05 -1.04 3.62 -0.72 0.00 0.51 -4.95 105.19 103.65 1upp n GLY 408 Ca 0.18 -0.56 -0.48 0.00 0.00 0.00 0.00 46.02 45.16 1upp n GLY 408 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upp n HIS 409 N -1.51 1.77 0.05 1.61 -0.00 -1.14 -4.88 115.22 111.12 1upp n HIS 409 Ca 0.04 0.52 0.15 0.00 -0.00 0.00 0.00 57.72 58.43 1upp n HIS 409 Cb 0.33 -2.39 0.63 0.00 -0.00 0.00 0.00 29.99 28.56 1upp n HIS 409 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1upp h PRO 410 N 4.48 0.10 -0.02 1.57 0.13 -1.92 -2.50 132.00 133.85 1upp h PRO 410 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1upp h PRO 410 Cb 1.31 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1upp h PRO 410 CO 0.78 0.07 -0.16 0.91 -0.23 0.00 0.00 178.00 179.36 1upp n TRP 411 N -4.44 0.00 0.00 1.56 7.02 -1.26 -5.09 117.44 115.23 1upp n TRP 411 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1upp n TRP 411 Cb 0.41 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1upp n TRP 411 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1upp n GLY 412 N 1.33 -0.39 0.12 6.99 0.00 -0.94 -4.62 105.19 107.67 1upp n GLY 412 Ca 0.14 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 1upp n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1upp h ASN 413 N 0.00 0.45 -0.04 1.61 4.21 -1.86 -1.76 115.58 118.19 1upp h ASN 413 Ca 0.00 -0.59 -0.00 0.00 1.21 0.00 0.00 56.30 56.91 1upp h ASN 413 Cb 0.00 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1upp h ASN 413 CO 0.00 1.49 0.01 0.00 -1.29 0.00 0.00 177.43 177.63 1upp h ALA 414 N 0.45 0.06 -0.09 -0.83 0.00 -1.81 -0.20 119.26 116.82 1upp h ALA 414 Ca -0.24 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1upp h ALA 414 Cb 2.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1upp h ALA 414 CO 0.18 -0.31 -0.38 -1.35 0.00 0.00 0.00 179.25 177.39 1upp h PRO 415 N -0.16 0.20 -0.41 0.00 0.11 -1.81 0.92 132.00 130.84 1upp h PRO 415 Ca 0.01 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.06 1upp h PRO 415 Cb 0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1upp h PRO 415 CO 0.00 0.55 0.24 0.78 -0.21 0.00 0.00 178.00 179.36 1upp h GLY 416 N 1.17 0.58 0.91 -0.55 0.00 -0.97 -0.41 103.07 103.80 1upp h GLY 416 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1upp h GLY 416 CO 0.06 0.15 0.02 0.00 0.00 0.00 0.00 176.54 176.77 1upp h ALA 417 N 1.19 0.46 -0.16 3.60 0.00 -0.37 -2.30 119.26 121.67 1upp h ALA 417 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1upp h ALA 417 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1upp h ALA 417 CO -0.08 0.20 0.07 0.28 0.00 0.00 0.00 179.25 179.71 1upp h VAL 418 N 0.41 0.98 -0.57 0.00 2.07 -0.20 -1.73 116.25 117.21 1upp h VAL 418 Ca 0.10 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1upp h VAL 418 Cb 0.41 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 1upp h VAL 418 CO 0.01 0.03 0.04 0.00 0.02 0.00 0.00 177.57 177.67 1upp h ALA 419 N 1.09 0.59 -0.47 1.67 0.00 -0.83 0.14 119.26 121.45 1upp h ALA 419 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1upp h ALA 419 Cb 0.03 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1upp h ALA 419 CO -0.06 -0.37 0.15 -0.91 0.00 0.00 0.00 179.25 178.07 1upp h ASN 420 N 0.16 0.68 0.19 0.00 -0.26 -0.89 -0.60 115.58 114.85 1upp h ASN 420 Ca 0.29 -0.20 -0.22 0.00 -0.56 0.00 0.00 56.30 55.61 1upp h ASN 420 Cb 0.45 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1upp h ASN 420 CO -0.45 0.70 -0.86 -0.09 -1.06 0.00 0.00 177.43 175.67 1upp h ARG 421 N 0.62 0.51 -0.13 0.81 9.65 -0.78 -1.52 114.38 123.55 1upp h ARG 421 Ca 0.15 -0.48 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1upp h ARG 421 Cb 0.26 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1upp h ARG 421 CO -0.01 1.12 0.07 0.28 2.80 0.00 0.00 179.97 184.23 1upp h VAL 422 N 0.32 1.09 -0.83 0.20 2.07 -0.82 -2.22 116.25 116.07 1upp h VAL 422 Ca -0.07 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1upp h VAL 422 Cb 1.48 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1upp h VAL 422 CO 0.16 0.09 0.55 0.00 0.02 0.00 0.00 177.57 178.38 1upp h ALA 423 N 0.97 1.40 0.80 1.67 0.00 -0.73 0.39 119.26 123.76 1upp h ALA 423 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1upp h ALA 423 Cb 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1upp h ALA 423 CO -0.01 0.56 -0.38 1.25 0.00 0.00 0.00 179.25 180.66 1upp h LEU 424 N 1.13 -0.91 -1.36 0.00 5.85 -1.30 -2.10 115.31 116.63 1upp h LEU 424 Ca 0.31 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.22 1upp h LEU 424 Cb -0.13 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1upp h LEU 424 CO -0.07 -0.57 0.57 -0.33 -0.34 0.00 0.00 178.44 177.71 1upp h GLU 425 N -1.24 0.58 -0.49 1.25 5.08 -1.07 0.55 114.58 119.23 1upp h GLU 425 Ca -0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1upp h GLU 425 Cb 0.82 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1upp h GLU 425 CO 0.18 0.38 0.07 0.00 -1.00 0.00 0.00 179.01 178.65 1upp h ALA 426 N 1.61 0.65 -0.47 3.43 0.00 -0.90 0.19 119.26 123.78 1upp h ALA 426 Ca 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1upp h ALA 426 Cb 0.85 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1upp h ALA 426 CO -0.20 0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.68 1upp h VAL 428 N 0.61 0.93 -0.12 0.00 2.07 -0.46 0.13 116.25 119.41 1upp h VAL 428 Ca 0.16 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1upp h VAL 428 Cb 0.08 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1upp h VAL 428 CO -0.02 0.09 -0.05 -0.61 0.02 0.00 0.00 177.57 177.00 1upp h GLN 429 N 0.51 0.25 -0.34 1.57 4.15 -0.53 -1.51 115.11 119.21 1upp h GLN 429 Ca 0.25 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1upp h GLN 429 Cb 0.18 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1upp h GLN 429 CO -0.19 0.58 0.16 0.00 -1.93 0.00 0.00 178.83 177.46 1upp h ALA 430 N 0.66 0.42 -0.18 3.38 0.00 -1.16 -0.77 119.26 121.61 1upp h ALA 430 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1upp h ALA 430 Cb 0.51 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1upp h ALA 430 CO 0.02 -0.22 -0.47 -0.09 0.00 0.00 0.00 179.25 178.49 1upp h ARG 431 N 0.33 -0.48 -0.36 0.00 2.43 -0.68 -2.09 114.38 113.54 1upp h ARG 431 Ca 0.15 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1upp h ARG 431 Cb 0.07 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1upp h ARG 431 CO -0.11 -0.32 0.24 -0.91 -1.51 0.00 0.00 179.97 177.35 1upp h ASN 432 N -0.50 0.31 1.14 -3.80 -0.26 -1.11 -0.90 115.58 110.45 1upp h ASN 432 Ca 0.07 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1upp h ASN 432 Cb 0.64 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1upp h ASN 432 CO -0.45 0.22 0.00 -0.33 -1.06 0.00 0.00 177.43 175.81 1upp h GLU 433 N 0.36 0.00 0.00 0.81 5.08 -0.77 -3.47 114.58 116.59 1upp h GLU 433 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1upp h GLU 433 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1upp h GLU 433 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1upp n GLY 434 N 0.32 1.40 3.88 -3.84 0.00 -0.34 -5.09 105.19 101.51 1upp n GLY 434 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1upp n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upp s ARG 435 N -0.15 3.06 -0.32 1.61 0.52 -0.82 -5.03 118.95 117.82 1upp s ARG 435 Ca 0.00 0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 55.64 1upp s ARG 435 Cb 0.00 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1upp s ARG 435 CO 0.00 -0.91 0.17 0.34 0.02 0.00 0.00 175.30 174.93 1upp s ASP 436 N -4.31 5.67 0.25 0.23 -1.08 -1.26 -4.53 116.67 111.64 1upp s ASP 436 Ca 0.57 -0.52 0.10 0.00 -0.52 0.00 0.00 52.55 52.17 1upp s ASP 436 Cb -0.11 -2.03 0.29 0.00 -1.46 0.00 0.00 42.92 39.61 1upp s ASP 436 CO 0.52 -0.21 1.57 -0.07 0.52 0.00 0.00 175.17 177.50 1upp h LEU 437 N 8.38 0.02 -0.18 -1.34 3.38 -1.93 0.71 115.31 124.35 1upp h LEU 437 Ca -0.32 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 1upp h LEU 437 Cb 1.15 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1upp h LEU 437 CO 0.62 0.67 -0.82 0.00 0.09 0.00 0.00 178.44 179.00 1upp h ALA 438 N 1.33 0.33 0.23 1.53 0.00 -1.92 -2.62 119.26 118.14 1upp h ALA 438 Ca -0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 54.91 53.97 1upp h ALA 438 Cb 1.17 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.98 1upp h ALA 438 CO 0.09 0.71 -1.37 0.00 0.00 0.00 0.00 179.25 178.67 1upp h ARG 439 N 0.46 0.52 -0.38 0.00 3.08 -1.94 -3.39 114.38 112.74 1upp h ARG 439 Ca -0.06 -0.87 0.00 0.00 0.07 0.00 0.00 59.98 59.12 1upp h ARG 439 Cb 1.45 0.32 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1upp h ARG 439 CO 0.16 1.41 0.00 0.39 -1.07 0.00 0.00 179.97 180.87 1upp n GLU 440 N -3.79 2.98 0.01 0.04 1.02 0.24 -4.76 120.64 116.39 1upp n GLU 440 Ca -0.16 -2.38 -0.12 0.00 -0.02 0.00 0.00 57.16 54.48 1upp n GLU 440 Cb 1.06 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.91 1upp n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1upp h GLY 441 N 2.32 0.06 0.58 0.62 0.00 -1.64 -0.92 103.07 104.10 1upp h GLY 441 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.37 1upp h GLY 441 CO 0.08 0.03 0.33 3.43 0.00 0.00 0.00 176.54 180.41 1upp h ASN 442 N -0.07 0.45 -0.50 0.19 4.21 -1.87 -1.98 115.58 116.02 1upp h ASN 442 Ca 0.01 0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.58 1upp h ASN 442 Cb 0.13 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1upp h ASN 442 CO -0.00 0.28 0.32 0.74 -1.29 0.00 0.00 177.43 177.48 1upp h THR 443 N 0.60 1.11 -0.26 2.81 2.02 -1.83 0.19 112.91 117.55 1upp h THR 443 Ca 0.30 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1upp h THR 443 Cb 0.26 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1upp h THR 443 CO -0.22 0.12 0.12 0.40 0.37 0.00 0.00 175.52 176.31 1upp h ILE 444 N 0.66 0.98 -0.00 3.11 2.04 -0.44 -0.36 117.51 123.50 1upp h ILE 444 Ca 0.19 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1upp h ILE 444 Cb -0.06 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1upp h ILE 444 CO -0.05 0.05 -0.21 0.40 0.00 0.00 0.00 178.15 178.34 1upp h ILE 445 N 0.26 0.51 -0.42 -0.67 1.08 -1.34 -1.39 117.51 115.53 1upp h ILE 445 Ca 0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.66 1upp h ILE 445 Cb 0.04 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1upp h ILE 445 CO -0.08 0.00 -0.10 0.03 -0.69 0.00 0.00 178.15 177.31 1upp h ARG 446 N -0.33 0.00 -0.83 2.37 3.08 -0.18 -2.20 114.38 116.29 1upp h ARG 446 Ca 0.06 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1upp h ARG 446 Cb 0.41 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 1upp h ARG 446 CO -0.20 0.00 0.49 0.93 -1.07 0.00 0.00 179.97 180.13 1upp h GLU 447 N 0.00 0.83 0.00 0.04 5.08 -0.84 -2.26 114.58 117.44 1upp h GLU 447 Ca 0.20 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1upp h GLU 447 Cb 0.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1upp h GLU 447 CO -0.43 0.55 -0.07 0.00 -1.00 0.00 0.00 179.01 178.06 1upp h ALA 448 N 1.43 1.00 0.00 3.43 0.00 -0.64 -2.71 119.26 121.77 1upp h ALA 448 Ca 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1upp h ALA 448 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1upp h ALA 448 CO -0.21 0.09 -0.01 1.79 0.00 0.00 0.00 179.25 180.91 1upp h THR 449 N 0.00 0.01 -0.46 0.00 1.35 -1.08 -2.02 112.91 110.71 1upp h THR 449 Ca -0.00 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1upp h THR 449 Cb 0.67 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1upp h THR 449 CO 0.01 0.01 0.20 0.11 -0.25 0.00 0.00 175.52 175.59 1upp h LYS 450 N 0.00 0.65 -0.00 4.72 1.79 -1.51 -3.25 116.57 118.97 1upp h LYS 450 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1upp h LYS 450 Cb 0.72 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1upp h LYS 450 CO 0.00 0.53 -0.46 -2.67 -1.08 0.00 0.00 179.45 175.76 1upp n TRP 451 N -4.37 0.00 -3.83 -1.35 4.27 -1.13 -4.90 117.44 106.13 1upp n TRP 451 Ca 0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.28 1upp n TRP 451 Cb 0.14 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.96 1upp n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1upp s SER 452 N -1.93 5.10 0.42 -0.67 0.15 -0.77 -4.97 113.70 111.03 1upp s SER 452 Ca 0.05 -1.42 0.23 0.00 0.70 0.00 0.00 55.95 55.52 1upp s SER 452 Cb 0.09 -1.78 0.75 0.00 -1.71 0.00 0.00 66.02 63.36 1upp s SER 452 CO 0.42 -0.35 1.75 1.55 1.20 0.00 0.00 173.24 177.81 1upp h PRO 453 N 8.07 0.00 -0.31 5.44 0.13 -1.89 -1.64 132.00 141.80 1upp h PRO 453 Ca -0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1upp h PRO 453 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1upp h PRO 453 CO 0.59 0.23 0.04 0.93 -0.23 0.00 0.00 178.00 179.56 1upp h GLU 454 N 0.00 0.52 -0.53 0.86 3.07 -1.93 -2.48 114.58 114.10 1upp h GLU 454 Ca -0.00 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.62 1upp h GLU 454 Cb 0.86 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1upp h GLU 454 CO 0.03 0.62 -0.04 1.25 -1.40 0.00 0.00 179.01 179.47 1upp h LEU 455 N 0.34 0.95 -0.48 1.33 5.85 -1.74 -2.47 115.31 119.10 1upp h LEU 455 Ca 0.09 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1upp h LEU 455 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1upp h LEU 455 CO 0.01 1.05 0.27 0.00 -0.34 0.00 0.00 178.44 179.42 1upp h ALA 456 N 0.93 0.62 -0.56 1.25 0.00 -1.25 0.41 119.26 120.66 1upp h ALA 456 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1upp h ALA 456 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1upp h ALA 456 CO 0.04 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.44 1upp h ALA 457 N 1.24 0.73 -0.21 0.00 0.00 -1.36 1.00 119.26 120.65 1upp h ALA 457 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 457 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1upp h ALA 457 CO -0.12 0.35 0.06 0.00 0.00 0.00 0.00 179.25 179.55 1upp h ALA 458 N 1.07 0.23 -0.83 0.00 0.00 -0.84 -1.97 119.26 116.92 1upp h ALA 458 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1upp h ALA 458 Cb 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1upp h ALA 458 CO -0.01 -0.36 0.39 0.00 0.00 0.00 0.00 179.25 179.26 1upp h GLU 460 N 1.18 0.49 -0.49 0.00 5.08 -0.58 -2.31 114.58 117.95 1upp h GLU 460 Ca 0.28 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1upp h GLU 460 Cb 0.14 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1upp h GLU 460 CO -0.03 0.33 0.33 0.28 -1.00 0.00 0.00 179.01 178.91 1upp h VAL 461 N 0.51 1.08 0.00 3.13 2.07 -0.77 -3.23 116.25 119.05 1upp h VAL 461 Ca 0.18 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1upp h VAL 461 Cb 0.02 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1upp h VAL 461 CO -0.09 0.11 -0.20 0.79 0.02 0.00 0.00 177.57 178.20 1upp n TRP 462 N -4.47 0.00 -0.17 1.57 8.01 -1.06 -4.77 117.44 116.55 1upp n TRP 462 Ca 0.05 -0.78 -0.06 0.00 -1.31 0.00 0.00 57.50 55.40 1upp n TRP 462 Cb 0.11 -0.13 0.01 0.00 -2.01 0.00 0.00 31.31 29.28 1upp n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1upp h LYS 463 N 0.12 -0.17 -0.00 -0.99 3.64 -1.44 -2.48 116.57 115.25 1upp h LYS 463 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1upp h LYS 463 Cb 1.13 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1upp h LYS 463 CO 0.00 -0.11 -0.20 0.39 -2.27 0.00 0.00 179.45 177.26 1upp n GLU 464 N -5.43 0.19 -2.22 1.90 -0.58 -1.26 -4.91 120.64 108.32 1upp n GLU 464 Ca 0.03 -0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.28 1upp n GLU 464 Cb 0.34 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 1upp n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upp s ILE 465 N -2.85 3.87 0.08 -3.67 -1.09 -0.94 -4.98 121.20 111.62 1upp s ILE 465 Ca 0.17 1.00 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1upp s ILE 465 Cb 0.19 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1upp s ILE 465 CO 0.57 -0.31 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.33 1upp s LYS 466 N 4.37 0.76 -0.34 2.79 1.02 -1.26 -5.06 119.74 122.02 1upp s LYS 466 Ca 0.66 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.62 1upp s LYS 466 Cb -0.23 -0.48 0.10 0.00 -0.52 0.00 0.00 37.83 36.71 1upp s LYS 466 CO 0.26 0.08 0.10 -0.06 -0.92 0.00 0.00 175.35 174.81 1upp s PHE 467 N -2.11 2.50 -0.12 3.18 0.08 -1.26 -5.09 117.98 115.15 1upp s PHE 467 Ca 0.01 -2.28 -0.02 0.00 0.12 0.00 0.00 56.93 54.76 1upp s PHE 467 Cb -0.05 -2.19 0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1upp s PHE 467 CO -0.00 -0.89 0.01 -1.21 -0.10 0.00 0.00 175.22 173.03 1upp s GLU 468 N 1.20 0.70 0.10 0.44 2.02 -1.26 -4.78 118.70 117.12 1upp s GLU 468 Ca 0.11 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.95 1upp s GLU 468 Cb -0.19 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 1upp s GLU 468 CO -0.16 -0.42 0.09 -0.06 0.02 0.00 0.00 175.26 174.72 1upp s PHE 469 N 1.91 0.54 0.21 1.61 0.08 -1.26 -5.12 117.98 115.95 1upp s PHE 469 Ca 0.03 -0.98 -0.32 0.00 0.12 0.00 0.00 56.93 55.78 1upp s PHE 469 Cb -0.14 -0.30 -0.12 0.00 -0.57 0.00 0.00 43.02 41.89 1upp s PHE 469 CO -0.06 -0.51 1.67 -2.30 -0.10 0.00 0.00 175.22 173.92 1upp n PRO 470 N -0.04 2.64 -2.45 0.24 -0.02 -1.26 -5.01 135.00 129.11 1upp n PRO 470 Ca -0.10 0.95 -0.25 0.00 -2.02 0.00 0.00 63.50 62.08 1upp n PRO 470 Cb 0.62 -2.77 0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1upp n PRO 470 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upp s ALA 471 N 0.93 3.40 -0.27 3.55 0.00 -1.26 -5.05 121.76 123.07 1upp s ALA 471 Ca 0.74 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 1upp s ALA 471 Cb -0.54 -2.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 1upp s ALA 471 CO 0.36 -0.88 -0.28 -1.33 0.00 0.00 0.00 175.76 173.63 1upp n MET 472 N -2.58 0.61 -3.29 0.00 2.81 -1.26 -4.85 117.12 108.55 1upp n MET 472 Ca 0.06 0.25 -0.44 0.00 -1.81 0.00 0.00 57.70 55.75 1upp n MET 472 Cb 0.59 -1.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.51 1upp n MET 472 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1upp s ASP 473 N -7.20 6.18 0.22 7.83 2.15 -1.25 -4.40 116.67 120.19 1upp s ASP 473 Ca -0.37 -1.09 0.04 0.00 0.43 0.00 0.00 52.55 51.55 1upp s ASP 473 Cb 0.13 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.47 1upp s ASP 473 CO 0.53 -0.73 -0.02 0.42 -0.17 0.00 0.00 175.17 175.20 1upp s THR 474 N 2.08 1.06 -0.39 1.71 -4.23 -1.26 -4.71 115.64 109.90 1upp s THR 474 Ca 0.09 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1upp s THR 474 Cb -0.21 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1upp s THR 474 CO 0.09 -0.37 0.60 0.52 -0.54 0.00 0.00 174.62 174.93