#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkt n ALA 2 N 0.00 0.00 -3.48 7.33 0.00 -1.26 -5.22 120.51 117.88 2rkt n ALA 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2rkt n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2rkt n ALA 2 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2rkt s PHE 3 N -2.00 -0.59 -0.40 0.00 -0.12 -1.26 -5.07 117.98 108.54 2rkt s PHE 3 Ca 0.00 1.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.92 2rkt s PHE 3 Cb 0.00 0.37 0.16 0.00 -0.63 0.00 0.00 43.02 42.92 2rkt s PHE 3 CO 0.00 -0.58 0.35 0.21 -0.05 0.00 0.00 175.22 175.16 2rkt s LYS 4 N -1.21 0.76 -0.47 1.99 2.20 -1.23 -4.04 119.74 117.74 2rkt s LYS 4 Ca -0.11 -1.49 -0.15 0.00 -0.36 0.00 0.00 55.97 53.86 2rkt s LYS 4 Cb -0.01 -1.07 0.07 0.00 -1.51 0.00 0.00 37.83 35.31 2rkt s LYS 4 CO 0.09 -1.29 0.38 0.42 -0.36 0.00 0.00 175.35 174.60 2rkt s ILE 5 N 0.75 5.23 0.20 5.43 1.01 -0.24 -4.88 121.20 128.71 2rkt s ILE 5 Ca 0.25 -1.02 -0.32 0.00 0.00 0.00 0.00 60.65 59.55 2rkt s ILE 5 Cb -0.08 -4.10 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 2rkt s ILE 5 CO -0.08 -0.55 1.42 1.67 0.00 0.00 0.00 174.94 177.40 2rkt n GLN 6 N 5.20 1.91 -1.59 2.79 7.27 -1.26 0.39 117.38 132.09 2rkt n GLN 6 Ca -0.12 0.68 -0.37 0.00 0.07 0.00 0.00 57.00 57.26 2rkt n GLN 6 Cb 0.44 -2.35 0.08 0.00 2.41 0.00 0.00 30.24 30.82 2rkt n GLN 6 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2rkt n LEU 7 N 2.49 5.12 -4.38 1.69 4.77 -0.80 -4.21 117.00 121.68 2rkt n LEU 7 Ca 0.14 0.77 -0.50 0.00 -0.03 0.00 0.00 56.01 56.39 2rkt n LEU 7 Cb 0.29 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 39.84 2rkt n LEU 7 CO 0.63 -1.38 0.13 0.47 -1.33 0.00 0.00 177.39 175.91 2rkt n ASP 8 N -1.84 -0.94 -0.32 -1.43 8.00 -1.26 -4.34 116.55 114.41 2rkt n ASP 8 Ca 0.15 1.12 0.07 0.00 0.71 0.00 0.00 54.79 56.85 2rkt n ASP 8 Cb 0.48 -0.93 0.28 0.00 -0.02 0.00 0.00 41.12 40.93 2rkt n ASP 8 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2rkt h THR 9 N 1.46 0.95 -0.02 -3.53 2.02 -1.87 0.60 112.91 112.52 2rkt h THR 9 Ca -0.33 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2rkt h THR 9 Cb 1.42 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2rkt h THR 9 CO 0.58 0.17 0.01 -0.07 0.37 0.00 0.00 175.52 176.59 2rkt h LEU 10 N 0.93 0.00 -0.54 2.58 3.38 -1.89 -1.24 115.31 118.53 2rkt h LEU 10 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2rkt h LEU 10 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2rkt h LEU 10 CO -0.21 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.93 2rkt n GLY 11 N -1.39 -0.41 0.45 0.83 0.00 0.19 -4.22 105.19 100.64 2rkt n GLY 11 Ca -0.03 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.77 2rkt n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rkt n GLN 12 N -0.31 1.59 -1.76 1.61 1.13 -0.47 -4.62 117.38 114.55 2rkt n GLN 12 Ca 0.19 -0.89 -0.42 0.00 -1.94 0.00 0.00 57.00 53.93 2rkt n GLN 12 Cb 0.23 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.23 2rkt n GLN 12 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2rkt s LEU 13 N -1.39 4.19 0.00 1.08 1.43 -1.26 -4.86 118.68 117.86 2rkt s LEU 13 Ca 0.27 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2rkt s LEU 13 Cb 0.14 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2rkt s LEU 13 CO 0.21 -1.21 0.32 -2.65 0.23 0.00 0.00 176.35 173.25 2rkt n PRO 14 N 7.70 0.00 -0.69 1.29 -0.02 -1.26 -4.99 135.00 137.04 2rkt n PRO 14 Ca 0.21 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.55 2rkt n PRO 14 Cb 0.42 -1.64 0.01 0.00 -0.02 0.00 0.00 33.50 32.28 2rkt n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rkt n GLY 15 N -0.82 -1.74 0.00 -1.23 0.00 -1.26 -5.17 105.19 94.97 2rkt n GLY 15 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2rkt n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2rkt n ILE 19 N -2.50 -0.35 -4.32 -0.61 -5.35 -1.26 -4.55 119.36 100.42 2rkt n ILE 19 Ca -0.01 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.13 2rkt n ILE 19 Cb 0.37 -0.09 -0.12 0.00 -1.74 0.00 0.00 39.64 38.06 2rkt n ILE 19 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2rkt s TYR 20 N -1.08 3.06 -0.13 4.28 1.51 0.13 -0.78 117.35 124.34 2rkt s TYR 20 Ca 0.00 -0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 55.52 2rkt s TYR 20 Cb 0.00 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 2rkt s TYR 20 CO 0.00 -0.02 0.95 0.99 -1.11 0.00 0.00 175.55 176.36 2rkt s THR 21 N 0.40 4.81 0.03 -0.71 2.01 -0.23 -4.47 115.64 117.48 2rkt s THR 21 Ca -0.03 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2rkt s THR 21 Cb -0.14 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2rkt s THR 21 CO 0.02 0.01 0.07 -1.10 -0.69 0.00 0.00 174.62 172.93 2rkt s GLN 22 N 2.10 2.95 -0.08 4.92 -0.21 -1.26 -0.88 119.66 127.19 2rkt s GLN 22 Ca 0.45 -0.58 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 2rkt s GLN 22 Cb -0.17 -2.78 0.03 0.00 1.00 0.00 0.00 33.01 31.08 2rkt s GLN 22 CO 0.15 0.61 0.30 -1.50 -2.12 0.00 0.00 175.29 172.73 2rkt s ILE 23 N -1.25 0.02 -0.00 1.08 1.10 -0.88 -4.45 121.20 116.83 2rkt s ILE 23 Ca 0.25 -0.18 0.06 0.00 -0.51 0.00 0.00 60.65 60.27 2rkt s ILE 23 Cb -0.12 -0.48 -0.02 0.00 0.15 0.00 0.00 42.46 41.99 2rkt s ILE 23 CO 0.16 -0.10 -0.19 -0.44 -2.11 0.00 0.00 174.94 172.27 2rkt s SER 24 N -0.34 2.25 -0.13 4.50 0.01 0.15 -1.37 113.70 118.76 2rkt s SER 24 Ca -0.05 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2rkt s SER 24 Cb -0.03 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2rkt s SER 24 CO 0.02 0.21 -0.19 -0.76 0.41 0.00 0.00 173.24 172.92 2rkt s LEU 25 N -0.62 1.96 -0.19 2.44 1.02 0.83 -1.13 118.68 123.00 2rkt s LEU 25 Ca 0.07 -0.55 -0.09 0.00 0.02 0.00 0.00 54.13 53.58 2rkt s LEU 25 Cb -0.08 -1.32 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 2rkt s LEU 25 CO -0.00 0.04 0.11 -0.22 0.02 0.00 0.00 176.35 176.31 2rkt s LEU 26 N 0.95 4.13 0.02 1.79 2.96 -0.72 -0.53 118.68 127.28 2rkt s LEU 26 Ca -0.05 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2rkt s LEU 26 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2rkt s LEU 26 CO -0.03 0.21 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.71 2rkt s TYR 27 N 0.18 1.66 0.45 5.38 2.02 0.20 0.44 117.35 127.69 2rkt s TYR 27 Ca 0.08 -0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 2rkt s TYR 27 Cb -0.11 -1.02 -0.09 0.00 -0.40 0.00 0.00 41.96 40.34 2rkt s TYR 27 CO -0.01 0.04 1.03 -1.25 -1.57 0.00 0.00 175.55 173.79 2rkt s PRO 28 N -0.90 3.99 -0.17 -1.71 0.04 -1.26 -0.15 135.00 134.85 2rkt s PRO 28 Ca 0.06 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 2rkt s PRO 28 Cb -0.08 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 32.26 2rkt s PRO 28 CO 0.01 -0.27 0.03 0.08 0.04 0.00 0.00 177.00 176.89 2rkt s VAL 29 N -1.90 0.46 0.12 -0.36 1.01 -0.63 -4.77 120.40 114.33 2rkt s VAL 29 Ca 0.63 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2rkt s VAL 29 Cb -0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2rkt s VAL 29 CO 0.21 -0.13 1.52 -1.28 0.00 0.00 0.00 175.10 175.42 2rkt h SER 30 N 8.27 0.71 -3.64 3.32 0.87 -1.97 -3.37 113.55 117.74 2rkt h SER 30 Ca -0.17 -0.37 -0.40 0.00 -1.23 0.00 0.00 61.79 59.63 2rkt h SER 30 Cb 1.12 -0.19 -0.32 0.00 -0.44 0.00 0.00 62.40 62.57 2rkt h SER 30 CO 0.32 0.92 -0.77 -0.62 -0.53 0.00 0.00 176.83 176.14 2rkt s ASP 31 N -6.32 0.94 0.62 6.23 -1.08 -1.26 -5.02 116.67 110.77 2rkt s ASP 31 Ca -0.13 -0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.05 2rkt s ASP 31 Cb 0.10 -0.34 1.46 0.00 -1.46 0.00 0.00 42.92 42.67 2rkt s ASP 31 CO 0.81 0.00 1.86 0.28 0.52 0.00 0.00 175.17 178.64 2rkt h SER 32 N 6.74 0.00 -0.02 -0.34 0.02 -2.00 0.19 113.55 118.12 2rkt h SER 32 Ca -0.35 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2rkt h SER 32 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2rkt h SER 32 CO 0.48 0.00 0.45 0.77 -1.14 0.00 0.00 176.83 177.39 2rkt h SER 33 N 0.00 0.00 1.50 3.07 4.64 -2.00 -2.66 113.55 118.10 2rkt h SER 33 Ca 0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2rkt h SER 33 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2rkt h SER 33 CO -0.00 0.00 -0.48 1.56 -0.87 0.00 0.00 176.83 177.04 2rkt h GLN 34 N 0.00 0.00 -0.86 4.77 4.20 -1.38 -3.39 115.11 118.45 2rkt h GLN 34 Ca 0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.80 2rkt h GLN 34 Cb 0.90 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 2rkt h GLN 34 CO -0.00 0.48 0.52 1.88 -0.67 0.00 0.00 178.83 181.04 2rkt h TYR 35 N 0.00 0.96 -0.74 2.96 0.05 -1.68 -2.02 116.97 116.50 2rkt h TYR 35 Ca -0.00 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2rkt h TYR 35 Cb 1.35 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.73 2rkt h TYR 35 CO 0.00 0.46 0.45 -1.35 -1.05 0.00 0.00 178.16 176.66 2rkt h PRO 36 N 0.92 0.82 0.00 4.88 0.11 -1.82 -1.63 132.00 135.28 2rkt h PRO 36 Ca 0.39 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 2rkt h PRO 36 Cb 0.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2rkt h PRO 36 CO -0.20 0.54 -0.50 1.15 -0.21 0.00 0.00 178.00 178.78 2rkt h THR 37 N 0.84 1.29 0.22 -1.15 2.02 -1.78 -1.10 112.91 113.24 2rkt h THR 37 Ca 0.32 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 2rkt h THR 37 Cb 0.13 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2rkt h THR 37 CO -0.16 0.49 -0.11 0.40 0.37 0.00 0.00 175.52 176.51 2rkt h ILE 38 N 0.00 0.82 -0.29 3.11 2.04 -0.85 -0.02 117.51 122.31 2rkt h ILE 38 Ca -0.00 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2rkt h ILE 38 Cb 0.92 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2rkt h ILE 38 CO 0.06 0.04 0.14 0.58 0.00 0.00 0.00 178.15 178.98 2rkt h VAL 39 N -0.39 1.15 -0.30 1.67 2.07 -1.21 -1.09 116.25 118.14 2rkt h VAL 39 Ca -0.03 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 2rkt h VAL 39 Cb 0.30 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2rkt h VAL 39 CO 0.05 0.15 -0.30 0.77 0.02 0.00 0.00 177.57 178.26 2rkt h SER 40 N 0.34 0.64 -0.65 0.57 4.64 -1.12 0.55 113.55 118.52 2rkt h SER 40 Ca 0.10 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2rkt h SER 40 Cb 0.11 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2rkt h SER 40 CO -0.01 0.91 0.40 0.74 -0.87 0.00 0.00 176.83 177.99 2rkt h THR 41 N 0.53 1.19 -0.42 2.95 2.02 -0.79 -1.36 112.91 117.02 2rkt h THR 41 Ca 0.06 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2rkt h THR 41 Cb 0.79 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2rkt h THR 41 CO 0.06 0.19 0.14 0.15 0.37 0.00 0.00 175.52 176.44 2rkt h PHE 42 N 0.89 0.67 -0.57 3.16 3.04 -0.87 -2.34 116.94 120.92 2rkt h PHE 42 Ca 0.23 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 62.03 2rkt h PHE 42 Cb -0.03 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2rkt h PHE 42 CO -0.02 0.61 -0.01 0.93 -2.02 0.00 0.00 178.31 177.80 2rkt h GLU 43 N 0.54 1.01 -1.00 1.11 5.08 -0.67 -1.57 114.58 119.09 2rkt h GLU 43 Ca 0.14 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2rkt h GLU 43 Cb 0.24 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2rkt h GLU 43 CO -0.01 1.01 0.65 0.37 -1.00 0.00 0.00 179.01 180.04 2rkt h GLN 44 N 0.89 1.22 -0.44 2.33 5.75 -1.24 -0.64 115.11 122.99 2rkt h GLN 44 Ca 0.16 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.47 2rkt h GLN 44 Cb 0.57 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2rkt h GLN 44 CO 0.03 0.81 -0.18 0.78 -2.65 0.00 0.00 178.83 177.62 2rkt h GLY 45 N 1.26 0.97 1.48 2.39 0.00 -1.07 -0.98 103.07 107.12 2rkt h GLY 45 Ca 0.40 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2rkt h GLY 45 CO -0.13 0.77 0.08 1.41 0.00 0.00 0.00 176.54 178.68 2rkt h LEU 46 N 0.73 0.60 0.04 3.11 3.38 -0.91 -0.38 115.31 121.88 2rkt h LEU 46 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rkt h LEU 46 Cb 0.74 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2rkt h LEU 46 CO 0.06 0.62 -0.02 0.50 0.09 0.00 0.00 178.44 179.69 2rkt h LYS 47 N 0.63 -0.05 -0.56 1.13 3.64 -0.95 -1.48 116.57 118.93 2rkt h LYS 47 Ca 0.14 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2rkt h LYS 47 Cb 0.27 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 2rkt h LYS 47 CO 0.00 0.36 0.09 -0.09 -2.27 0.00 0.00 179.45 177.54 2rkt h ARG 48 N -0.48 0.21 0.04 1.90 2.43 -1.06 0.81 114.38 118.25 2rkt h ARG 48 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2rkt h ARG 48 Cb 0.44 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2rkt h ARG 48 CO 0.01 0.14 -0.02 0.35 -1.51 0.00 0.00 179.97 178.94 2rkt h PHE 49 N 0.22 -0.06 -0.84 2.20 -0.00 -1.04 -0.29 116.94 117.13 2rkt h PHE 49 Ca 0.29 -0.00 0.08 0.00 -0.00 0.00 0.00 57.97 58.33 2rkt h PHE 49 Cb 0.43 0.02 -0.06 0.00 -0.00 0.00 0.00 35.95 36.34 2rkt h PHE 49 CO -0.26 0.22 0.55 0.77 -0.00 0.00 0.00 178.31 179.58 2rkt h SER 50 N -0.33 0.78 -0.50 0.41 0.02 -1.08 0.20 113.55 113.05 2rkt h SER 50 Ca -0.01 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2rkt h SER 50 Cb 0.30 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2rkt h SER 50 CO 0.01 0.49 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.77 2rkt h GLU 51 N 0.88 0.98 -0.30 3.45 5.08 -0.57 -2.39 114.58 121.71 2rkt h GLU 51 Ca 0.37 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2rkt h GLU 51 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2rkt h GLU 51 CO -0.14 1.02 -0.22 0.00 -1.00 0.00 0.00 179.01 178.67 2rkt h ALA 52 N 1.00 0.44 -2.57 3.43 0.00 -0.00 -3.39 119.26 118.17 2rkt h ALA 52 Ca 0.14 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 54.08 2rkt h ALA 52 Cb 0.64 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.94 2rkt h ALA 52 CO 0.04 0.40 -0.86 0.08 0.00 0.00 0.00 179.25 178.91 2rkt s VAL 53 N -4.47 1.04 0.42 0.00 1.01 0.59 -5.02 120.40 113.96 2rkt s VAL 53 Ca -0.13 -3.07 0.24 0.00 0.00 0.00 0.00 61.98 59.02 2rkt s VAL 53 Cb 0.09 -1.70 0.43 0.00 0.00 0.00 0.00 36.38 35.20 2rkt s VAL 53 CO 0.82 -1.17 1.72 -0.65 0.00 0.00 0.00 175.10 175.83 2rkt h PRO 54 N 5.62 0.25 0.00 2.72 0.11 -1.64 -2.55 132.00 136.50 2rkt h PRO 54 Ca 0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2rkt h PRO 54 Cb 0.87 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2rkt h PRO 54 CO 0.46 0.17 -0.03 0.11 -0.21 0.00 0.00 178.00 178.50 2rkt h TRP 55 N 0.26 0.00 0.00 0.65 5.08 -1.95 -2.69 115.95 117.30 2rkt h TRP 55 Ca 0.67 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.64 2rkt h TRP 55 Cb 1.93 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.09 2rkt h TRP 55 CO -0.00 0.03 0.00 -0.39 -1.28 0.00 0.00 178.44 176.80 2rkt h VAL 56 N 0.00 0.00 -0.27 0.12 -1.51 -1.81 0.65 116.25 113.43 2rkt h VAL 56 Ca -0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2rkt h VAL 56 Cb 0.20 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2rkt h VAL 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2rkt n ALA 57 N -2.08 2.48 -1.62 5.19 0.00 -1.01 -4.32 120.51 119.15 2rkt n ALA 57 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2rkt n ALA 57 Cb 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2rkt n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkt n GLY 58 N 1.16 0.11 3.12 0.00 0.00 0.22 -2.95 105.19 106.86 2rkt n GLY 58 Ca 0.15 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 2rkt n GLY 58 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rkt s GLN 59 N -1.28 0.70 -0.19 1.61 -2.07 0.34 -1.21 119.66 117.56 2rkt s GLN 59 Ca 0.00 -1.04 -0.22 0.00 -1.82 0.00 0.00 55.36 52.28 2rkt s GLN 59 Cb 0.00 -0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 31.60 2rkt s GLN 59 CO 0.00 0.03 0.67 0.08 -1.32 0.00 0.00 175.29 174.75 2rkt s VAL 60 N -2.42 4.99 -0.09 3.63 1.01 0.93 -1.29 120.40 127.15 2rkt s VAL 60 Ca 0.01 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2rkt s VAL 60 Cb -0.03 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2rkt s VAL 60 CO -0.02 0.09 -0.08 -0.75 0.00 0.00 0.00 175.10 174.34 2rkt s LYS 61 N 1.96 1.49 0.24 2.72 2.20 0.03 -4.29 119.74 124.09 2rkt s LYS 61 Ca 0.31 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.40 2rkt s LYS 61 Cb -0.16 -1.46 -0.09 0.00 -1.51 0.00 0.00 37.83 34.61 2rkt s LYS 61 CO 0.11 -0.18 0.84 0.00 -0.36 0.00 0.00 175.35 175.76 2rkt s ALA 62 N 1.38 3.35 0.33 3.13 0.00 -1.26 -1.88 121.76 126.81 2rkt s ALA 62 Ca -0.02 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2rkt s ALA 62 Cb -0.14 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2rkt s ALA 62 CO -0.04 0.25 0.37 -1.83 0.00 0.00 0.00 175.76 174.51 2rkt s GLU 63 N -1.62 1.79 -0.13 0.00 -1.05 0.87 -4.94 118.70 113.62 2rkt s GLU 63 Ca 0.43 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 53.39 2rkt s GLU 63 Cb -0.21 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2rkt s GLU 63 CO 0.25 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 176.17 2rkt n GLY 64 N -0.57 0.51 3.64 -3.83 0.00 -1.26 -0.00 105.19 103.68 2rkt n GLY 64 Ca 0.04 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2rkt n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkt s ILE 65 N -1.98 4.34 0.06 -0.61 1.01 -1.26 -4.06 121.20 118.71 2rkt s ILE 65 Ca 0.00 1.55 -0.00 0.00 0.00 0.00 0.00 60.65 62.19 2rkt s ILE 65 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2rkt s ILE 65 CO 0.00 -0.43 0.09 -1.54 0.00 0.00 0.00 174.94 173.06 2rkt n SER 66 N 7.12 -0.25 -4.51 3.58 3.41 -1.01 -4.99 113.62 116.97 2rkt n SER 66 Ca 0.13 -1.32 -0.48 0.00 -0.26 0.00 0.00 58.87 56.94 2rkt n SER 66 Cb 0.47 0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 2rkt n SER 66 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2rkt n GLU 67 N -0.10 1.44 -2.04 4.33 0.00 -1.26 -1.57 120.64 121.44 2rkt n GLU 67 Ca -0.00 0.40 -0.19 0.00 0.00 0.00 0.00 57.16 57.37 2rkt n GLU 67 Cb 0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 31.44 28.74 2rkt n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rkt n GLY 68 N 6.19 0.48 2.87 -1.84 0.00 -1.26 -4.98 105.19 106.65 2rkt n GLY 68 Ca 0.36 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2rkt n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rkt s ASN 69 N -2.40 2.73 0.00 1.61 3.84 -0.61 -3.61 114.94 116.50 2rkt s ASN 69 Ca 0.00 -0.62 0.22 0.00 0.21 0.00 0.00 52.86 52.66 2rkt s ASN 69 Cb 0.00 -0.86 1.29 0.00 -0.55 0.00 0.00 41.25 41.13 2rkt s ASN 69 CO 0.00 -0.19 1.81 0.35 -2.79 0.00 0.00 177.10 176.28 2rkt n THR 70 N 4.91 0.00 0.00 -5.21 -2.24 0.16 -2.40 114.28 109.50 2rkt n THR 70 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2rkt n THR 70 Cb 0.48 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2rkt n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rkt n GLY 71 N 0.80 0.98 2.93 3.38 0.00 -1.26 -4.81 105.19 107.22 2rkt n GLY 71 Ca 0.16 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 2rkt n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkt s THR 72 N -1.83 0.51 0.06 2.61 2.01 1.00 -4.94 115.64 115.06 2rkt s THR 72 Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2rkt s THR 72 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2rkt s THR 72 CO 0.00 0.18 0.07 -0.44 -0.69 0.00 0.00 174.62 173.74 2rkt s SER 73 N 0.40 5.48 0.01 3.53 0.01 -1.26 -0.09 113.70 121.78 2rkt s SER 73 Ca -0.05 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2rkt s SER 73 Cb -0.09 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.66 2rkt s SER 73 CO -0.00 0.20 -0.03 -0.36 0.41 0.00 0.00 173.24 173.46 2rkt s PHE 74 N -1.33 0.25 -0.19 2.43 0.40 -0.79 -1.91 117.98 116.84 2rkt s PHE 74 Ca 0.27 -0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 2rkt s PHE 74 Cb -0.12 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.24 2rkt s PHE 74 CO 0.19 -0.10 1.08 0.42 0.70 0.00 0.00 175.22 177.51 2rkt s ILE 75 N -0.89 4.62 0.13 0.64 1.01 0.16 -0.79 121.20 126.08 2rkt s ILE 75 Ca -0.09 1.94 0.02 0.00 0.00 0.00 0.00 60.65 62.52 2rkt s ILE 75 Cb -0.06 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2rkt s ILE 75 CO -0.00 -0.13 -0.04 0.68 0.00 0.00 0.00 174.94 175.44 2rkt s VAL 76 N 3.01 0.69 0.69 2.92 -7.23 -0.41 -1.08 120.40 118.98 2rkt s VAL 76 Ca 0.47 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 2rkt s VAL 76 Cb -0.17 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.91 2rkt s VAL 76 CO 0.10 -0.70 1.22 -2.84 -0.31 0.00 0.00 175.10 172.57 2rkt s PRO 77 N -3.87 2.39 0.00 4.82 0.02 -1.26 -0.51 135.00 136.60 2rkt s PRO 77 Ca 0.17 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2rkt s PRO 77 Cb 0.06 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2rkt s PRO 77 CO -0.01 -1.65 0.00 0.34 -0.33 0.00 0.00 177.00 175.35 2rkt n PHE 78 N -2.35 0.00 -4.56 6.54 -0.00 -1.26 -4.51 117.46 111.31 2rkt n PHE 78 Ca 0.14 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.32 2rkt n PHE 78 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.89 2rkt n PHE 78 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2rkt s GLU 79 N 0.00 1.92 0.08 -4.13 2.02 -1.15 -5.05 118.70 112.38 2rkt s GLU 79 Ca 0.00 -2.15 -0.19 0.00 0.02 0.00 0.00 54.97 52.64 2rkt s GLU 79 Cb 0.00 -0.97 -0.10 0.00 0.10 0.00 0.00 34.13 33.17 2rkt s GLU 79 CO 0.00 -0.34 1.51 -0.44 0.02 0.00 0.00 175.26 176.01 2rkt h ASP 80 N 1.77 0.37 -2.65 -0.19 3.32 -2.00 -3.43 116.42 113.61 2rkt h ASP 80 Ca -0.39 -0.31 -0.53 0.00 0.02 0.00 0.00 57.03 55.82 2rkt h ASP 80 Cb 1.27 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 2rkt h ASP 80 CO 0.66 0.58 -0.71 0.68 -1.72 0.00 0.00 179.24 178.74 2rkt s VAL 81 N -4.99 1.96 0.44 -1.35 -7.23 -1.26 -4.84 120.40 103.12 2rkt s VAL 81 Ca -0.14 -2.22 -0.25 0.00 -1.81 0.00 0.00 61.98 57.57 2rkt s VAL 81 Cb 0.07 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 2rkt s VAL 81 CO 0.73 -0.37 1.29 -2.84 -0.31 0.00 0.00 175.10 173.60 2rkt s PRO 82 N -3.64 3.76 0.09 4.82 0.02 -1.26 -4.89 135.00 133.91 2rkt s PRO 82 Ca 0.29 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 2rkt s PRO 82 Cb 0.01 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 2rkt s PRO 82 CO 0.12 -0.65 0.98 0.50 -0.33 0.00 0.00 177.00 177.62 2rkt s ARG 83 N -2.47 4.66 -0.16 5.54 3.52 -1.26 -4.97 118.95 123.82 2rkt s ARG 83 Ca 0.61 1.47 -0.05 0.00 -0.13 0.00 0.00 55.73 57.64 2rkt s ARG 83 Cb -0.37 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 2rkt s ARG 83 CO 0.46 0.14 -0.00 0.08 -0.81 0.00 0.00 175.30 175.17 2rkt s VAL 84 N 0.20 4.24 -0.15 7.11 1.01 -1.26 -1.77 120.40 129.78 2rkt s VAL 84 Ca 0.48 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2rkt s VAL 84 Cb -0.23 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2rkt s VAL 84 CO 0.30 0.49 0.24 -0.69 0.00 0.00 0.00 175.10 175.44 2rkt s VAL 85 N 0.23 5.34 -0.28 2.92 1.01 -0.65 -4.98 120.40 123.97 2rkt s VAL 85 Ca -0.00 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2rkt s VAL 85 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2rkt s VAL 85 CO 0.02 0.46 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 2rkt s VAL 86 N 0.02 4.79 -0.19 2.92 1.01 -1.26 -0.59 120.40 127.11 2rkt s VAL 86 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2rkt s VAL 86 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2rkt s VAL 86 CO 0.03 0.21 -0.12 -0.54 0.00 0.00 0.00 175.10 174.68 2rkt s LYS 87 N 1.67 3.23 -0.48 2.72 3.01 0.20 -4.98 119.74 125.10 2rkt s LYS 87 Ca 0.06 -0.72 -0.18 0.00 -1.01 0.00 0.00 55.97 54.12 2rkt s LYS 87 Cb -0.16 -2.76 0.05 0.00 -1.01 0.00 0.00 37.83 33.95 2rkt s LYS 87 CO 0.07 -0.12 0.56 0.34 0.51 0.00 0.00 175.35 176.71 2rkt s ASP 88 N 1.18 6.21 -0.04 2.83 2.15 -1.26 -0.30 116.67 127.44 2rkt s ASP 88 Ca 0.02 -0.88 0.14 0.00 0.43 0.00 0.00 52.55 52.25 2rkt s ASP 88 Cb -0.14 -2.26 0.43 0.00 -0.30 0.00 0.00 42.92 40.64 2rkt s ASP 88 CO -0.05 -0.79 1.36 0.18 -0.17 0.00 0.00 175.17 175.70 2rkt n LEU 89 N 5.93 3.41 0.06 -1.34 4.77 0.67 -4.64 117.00 125.85 2rkt n LEU 89 Ca -0.07 -2.23 0.13 0.00 -0.03 0.00 0.00 56.01 53.80 2rkt n LEU 89 Cb 0.46 -0.35 0.60 0.00 -2.33 0.00 0.00 43.42 41.79 2rkt n LEU 89 CO 0.51 0.76 1.15 0.03 -1.33 0.00 0.00 177.39 178.51 2rkt h ARG 90 N 2.45 0.15 -0.19 3.23 3.08 -1.75 -2.15 114.38 119.20 2rkt h ARG 90 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2rkt h ARG 90 Cb 0.97 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2rkt h ARG 90 CO 0.07 0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.82 2rkt n ASP 91 N -4.46 2.91 -4.53 7.04 8.00 -1.26 -4.50 116.55 119.75 2rkt n ASP 91 Ca 0.05 -2.47 -0.43 0.00 0.71 0.00 0.00 54.79 52.65 2rkt n ASP 91 Cb 0.34 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 2rkt n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2rkt s ASP 92 N -1.58 6.37 0.52 -2.24 -1.08 -0.81 -4.95 116.67 112.90 2rkt s ASP 92 Ca 0.25 -0.26 0.35 0.00 -0.52 0.00 0.00 52.55 52.37 2rkt s ASP 92 Cb 0.18 -2.38 1.78 0.00 -1.46 0.00 0.00 42.92 41.04 2rkt s ASP 92 CO 0.08 -0.97 2.05 1.55 0.52 0.00 0.00 175.17 178.40 2rkt h PRO 93 N 9.05 0.00 -0.16 4.34 0.13 -1.91 -2.05 132.00 141.40 2rkt h PRO 93 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2rkt h PRO 93 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2rkt h PRO 93 CO 0.98 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 2rkt n SER 94 N -2.78 2.26 -4.93 1.44 3.41 -1.26 -4.96 113.62 106.81 2rkt n SER 94 Ca -0.01 -1.78 -0.24 0.00 -0.26 0.00 0.00 58.87 56.57 2rkt n SER 94 Cb 0.11 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2rkt n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rkt s ALA 95 N -1.80 3.90 0.80 7.33 0.00 -0.77 -5.10 121.76 126.12 2rkt s ALA 95 Ca 0.34 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2rkt s ALA 95 Cb 0.20 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.69 2rkt s ALA 95 CO 0.30 0.43 1.09 -1.25 0.00 0.00 0.00 175.76 176.32 2rkt s PRO 96 N -3.48 2.04 0.32 0.00 0.04 -1.26 -4.98 135.00 127.67 2rkt s PRO 96 Ca 0.34 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.35 2rkt s PRO 96 Cb -0.10 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2rkt s PRO 96 CO 0.28 -1.72 -0.01 0.95 0.04 0.00 0.00 177.00 176.54 2rkt s THR 97 N -2.99 1.59 0.22 1.26 -4.23 -1.26 -4.32 115.64 105.92 2rkt s THR 97 Ca 0.61 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2rkt s THR 97 Cb -0.16 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2rkt s THR 97 CO 0.56 -0.15 1.56 -0.29 -0.54 0.00 0.00 174.62 175.76 2rkt h ILE 98 N 2.12 1.34 -0.09 2.99 2.10 -1.39 -3.00 117.51 121.58 2rkt h ILE 98 Ca -0.41 -1.78 -0.17 0.00 1.08 0.00 0.00 64.86 63.58 2rkt h ILE 98 Cb 1.24 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 38.76 2rkt h ILE 98 CO 0.71 0.54 -0.67 -0.33 -1.08 0.00 0.00 178.15 177.32 2rkt h GLU 99 N 0.32 0.37 -0.18 2.19 4.39 -1.95 -1.36 114.58 118.36 2rkt h GLU 99 Ca 0.01 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2rkt h GLU 99 Cb 1.03 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2rkt h GLU 99 CO 0.09 0.91 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 2rkt n GLY 100 N 0.44 0.16 1.79 -3.84 0.00 -1.13 -1.10 105.19 101.51 2rkt n GLY 100 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2rkt n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkt n ARG 102 N 0.47 0.00 -0.09 1.61 1.74 -0.52 -1.27 116.66 118.61 2rkt n ARG 102 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2rkt n ARG 102 Cb 0.03 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.49 2rkt n ARG 102 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2rkt h LYS 103 N 0.00 0.82 -0.09 5.56 1.63 -1.38 -2.79 116.57 120.33 2rkt h LYS 103 Ca 0.00 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2rkt h LYS 103 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2rkt h LYS 103 CO 0.00 1.06 0.00 0.00 -3.45 0.00 0.00 179.45 177.06 2rkt n ALA 104 N -2.53 2.56 -2.52 5.00 0.00 -0.40 -4.94 120.51 117.69 2rkt n ALA 104 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.87 2rkt n ALA 104 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2rkt n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkt n GLY 105 N 1.02 -0.35 3.23 0.00 0.00 -1.05 -3.97 105.19 104.08 2rkt n GLY 105 Ca 0.16 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2rkt n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rkt n TYR 106 N -4.12 -2.24 0.00 1.61 4.02 -1.26 -5.03 117.16 110.14 2rkt n TYR 106 Ca -0.17 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 2rkt n TYR 106 Cb 0.64 -4.44 0.00 0.00 -0.02 0.00 0.00 39.34 35.52 2rkt n TYR 106 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2rkt n PRO 107 N -3.51 0.95 -3.79 -0.72 -0.04 -1.25 -5.00 135.00 121.63 2rkt n PRO 107 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 2rkt n PRO 107 Cb 0.63 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.03 2rkt n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rkt n ALA 109 N -3.00 -1.14 -1.91 0.55 0.00 -1.26 -4.99 120.51 108.76 2rkt n ALA 109 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2rkt n ALA 109 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2rkt n ALA 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rkt n PHE 111 N -3.30 0.00 -2.28 0.00 3.72 -1.26 -4.98 117.46 109.36 2rkt n PHE 111 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2rkt n PHE 111 Cb 0.39 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 2rkt n PHE 111 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2rkt s ASP 112 N -2.33 6.86 0.54 4.37 -1.08 -1.26 -1.05 116.67 122.72 2rkt s ASP 112 Ca 0.00 1.89 0.21 0.00 -0.52 0.00 0.00 52.55 54.13 2rkt s ASP 112 Cb 0.00 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.31 2rkt s ASP 112 CO 0.00 -0.80 2.12 1.05 0.52 0.00 0.00 175.17 178.06 2rkt h GLU 113 N 8.56 0.00 0.00 4.34 4.11 -1.87 0.72 114.58 130.43 2rkt h GLU 113 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2rkt h GLU 113 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2rkt h GLU 113 CO 0.96 0.00 -0.01 -0.91 0.07 0.00 0.00 179.01 179.12 2rkt h ASN 114 N 0.00 0.00 0.00 3.06 4.21 -1.87 -2.18 115.58 118.80 2rkt h ASN 114 Ca 0.06 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.26 2rkt h ASN 114 Cb 0.27 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.42 2rkt h ASN 114 CO -0.00 0.01 -2.17 -0.38 -1.29 0.00 0.00 177.43 173.59 2rkt n ILE 115 N -3.10 1.18 0.49 2.81 5.41 0.05 -4.75 119.36 121.45 2rkt n ILE 115 Ca 0.02 -0.43 0.05 0.00 1.00 0.00 0.00 62.75 63.39 2rkt n ILE 115 Cb 0.38 -1.29 0.01 0.00 -0.71 0.00 0.00 39.64 38.03 2rkt n ILE 115 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2rkt n ILE 116 N -3.19 0.00 -4.42 1.39 -6.64 -0.07 -5.00 119.36 101.42 2rkt n ILE 116 Ca -0.37 -0.41 -0.32 0.00 -1.77 0.00 0.00 62.75 59.88 2rkt n ILE 116 Cb 0.88 1.16 -0.10 0.00 -1.44 0.00 0.00 39.64 40.13 2rkt n ILE 116 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2rkt s ALA 117 N -1.33 3.06 -0.84 -1.28 0.00 -0.82 -4.53 121.76 116.01 2rkt s ALA 117 Ca 0.10 -1.02 0.21 0.00 0.00 0.00 0.00 51.96 51.25 2rkt s ALA 117 Cb 0.09 -1.15 0.85 0.00 0.00 0.00 0.00 23.12 22.90 2rkt s ALA 117 CO 0.25 0.62 1.65 -0.35 0.00 0.00 0.00 175.76 177.92 2rkt n PRO 118 N 1.50 0.08 -3.58 0.00 -0.04 -1.26 -4.76 135.00 126.94 2rkt n PRO 118 Ca -0.15 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 2rkt n PRO 118 Cb 0.53 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2rkt n PRO 118 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2rkt s ARG 119 N -3.09 0.74 0.79 0.54 3.52 -1.26 -5.08 118.95 115.10 2rkt s ARG 119 Ca 0.08 0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.91 2rkt s ARG 119 Cb 0.12 0.35 0.07 0.00 -1.56 0.00 0.00 34.95 33.93 2rkt s ARG 119 CO 0.38 -0.20 1.12 0.15 -0.81 0.00 0.00 175.30 175.94 2rkt s LYS 120 N -0.75 2.00 0.11 5.12 1.02 -1.26 -4.96 119.74 121.02 2rkt s LYS 120 Ca -0.03 1.36 -0.17 0.00 0.02 0.00 0.00 55.97 57.15 2rkt s LYS 120 Cb -0.02 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 2rkt s LYS 120 CO 0.03 -1.86 1.56 1.15 -0.92 0.00 0.00 175.35 175.30 2rkt h THR 121 N -1.07 1.25 -2.80 2.17 2.02 -1.96 -3.39 112.91 109.12 2rkt h THR 121 Ca -0.44 -0.92 -0.59 0.00 0.77 0.00 0.00 66.41 65.22 2rkt h THR 121 Cb 1.25 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 2rkt h THR 121 CO 0.49 0.30 -0.51 -0.76 0.37 0.00 0.00 175.52 175.41 2rkt s LEU 122 N -9.48 4.19 -0.88 2.58 1.43 -1.26 -0.69 118.68 114.57 2rkt s LEU 122 Ca -0.13 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 2rkt s LEU 122 Cb 0.09 -2.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.41 2rkt s LEU 122 CO 0.77 0.12 2.02 -0.81 0.23 0.00 0.00 176.35 178.67 2rkt n PRO 123 N -0.06 1.81 -4.59 1.29 -0.04 -1.26 -4.82 135.00 127.34 2rkt n PRO 123 Ca -0.07 -1.77 -0.24 0.00 -0.04 0.00 0.00 63.50 61.38 2rkt n PRO 123 Cb 0.53 -2.78 -0.16 0.00 -0.04 0.00 0.00 33.50 31.04 2rkt n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rkt s ILE 124 N 4.31 1.12 0.00 0.52 1.01 -1.26 -4.95 121.20 121.95 2rkt s ILE 124 Ca 0.51 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2rkt s ILE 124 Cb 0.13 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2rkt s ILE 124 CO 0.05 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2rkt n GLY 125 N 3.69 -1.85 3.77 6.18 0.00 -1.26 -4.85 105.19 110.87 2rkt n GLY 125 Ca -0.22 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2rkt n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rkt s PRO 126 N 0.00 4.08 -0.43 1.61 0.02 -1.26 -3.21 135.00 135.82 2rkt s PRO 126 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2rkt s PRO 126 Cb 0.00 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2rkt s PRO 126 CO 0.00 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 2rkt n GLY 127 N 0.56 0.36 0.05 0.52 0.00 -1.26 -4.91 105.19 100.51 2rkt n GLY 127 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2rkt n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rkt n THR 128 N -3.63 0.67 -1.18 2.61 -2.24 -1.20 -4.89 114.28 104.41 2rkt n THR 128 Ca -0.05 -0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.73 2rkt n THR 128 Cb 0.42 0.59 0.17 0.00 -2.10 0.00 0.00 70.33 69.40 2rkt n THR 128 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rkt s GLY 129 N -0.86 1.58 0.45 3.38 0.00 -1.26 -4.80 107.32 105.79 2rkt s GLY 129 Ca 0.04 -0.30 0.21 0.00 0.00 0.00 0.00 44.72 44.67 2rkt s GLY 129 CO 0.00 0.28 1.92 -0.56 0.00 0.00 0.00 173.10 174.74 2rkt h PRO 130 N -1.83 0.00 0.00 2.90 0.13 -2.00 -2.31 132.00 128.89 2rkt h PRO 130 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2rkt h PRO 130 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2rkt h PRO 130 CO 0.57 0.24 0.00 -0.40 -0.23 0.00 0.00 178.00 178.18 2rkt n ASP 131 N -3.72 0.00 -4.83 1.44 5.75 -1.26 -4.83 116.55 109.10 2rkt n ASP 131 Ca -0.01 0.47 -0.37 0.00 -0.01 0.00 0.00 54.79 54.86 2rkt n ASP 131 Cb 0.35 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 2rkt n ASP 131 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2rkt s ASP 132 N -2.97 6.89 0.56 -1.12 1.01 -0.87 -5.05 116.67 115.12 2rkt s ASP 132 Ca 0.13 1.08 -0.20 0.00 0.71 0.00 0.00 52.55 54.27 2rkt s ASP 132 Cb 0.17 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2rkt s ASP 132 CO 0.46 0.26 1.26 -2.84 0.21 0.00 0.00 175.17 174.52 2rkt s PRO 133 N -1.31 3.10 -0.68 8.23 0.02 -1.26 -4.90 135.00 138.20 2rkt s PRO 133 Ca 0.29 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.30 2rkt s PRO 133 Cb -0.17 -2.09 0.17 0.00 0.02 0.00 0.00 34.50 32.42 2rkt s PRO 133 CO 0.17 -1.14 0.47 0.15 -0.33 0.00 0.00 177.00 176.32 2rkt s LYS 134 N -3.10 2.51 0.49 5.54 1.02 -1.26 -5.01 119.74 119.92 2rkt s LYS 134 Ca 0.74 -2.98 -0.24 0.00 0.02 0.00 0.00 55.97 53.51 2rkt s LYS 134 Cb -0.34 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.34 2rkt s LYS 134 CO 0.38 -1.21 1.41 -2.14 -0.92 0.00 0.00 175.35 172.87 2rkt s PRO 135 N -0.85 3.48 0.19 -1.68 0.02 -1.26 -0.05 135.00 134.86 2rkt s PRO 135 Ca 0.22 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 2rkt s PRO 135 Cb -0.14 -2.52 0.22 0.00 0.02 0.00 0.00 34.50 32.09 2rkt s PRO 135 CO -0.09 -0.96 1.71 0.28 -0.33 0.00 0.00 177.00 177.61 2rkt h VAL 136 N 2.00 0.67 -3.74 3.83 2.07 -1.44 -3.39 116.25 116.25 2rkt h VAL 136 Ca -0.51 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 66.73 2rkt h VAL 136 Cb 1.28 0.44 -0.26 0.00 -1.52 0.00 0.00 31.29 31.22 2rkt h VAL 136 CO 0.60 0.04 -0.69 -0.51 0.02 0.00 0.00 177.57 177.03 2rkt s ILE 137 N -6.14 0.03 -0.00 4.57 2.07 -1.26 -1.33 121.20 119.14 2rkt s ILE 137 Ca -0.13 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.93 2rkt s ILE 137 Cb 0.16 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.65 2rkt s ILE 137 CO 0.73 -0.12 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.78 2rkt s LEU 138 N -0.34 2.04 0.14 8.50 1.43 -0.47 -4.55 118.68 125.43 2rkt s LEU 138 Ca -0.04 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2rkt s LEU 138 Cb -0.02 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 2rkt s LEU 138 CO -0.00 0.10 -0.19 -0.76 0.23 0.00 0.00 176.35 175.73 2rkt s LEU 139 N -0.35 2.38 -0.05 1.79 1.02 -0.73 -0.25 118.68 122.49 2rkt s LEU 139 Ca 0.03 -0.79 -0.02 0.00 0.02 0.00 0.00 54.13 53.37 2rkt s LEU 139 Cb -0.04 -0.85 0.04 0.00 0.02 0.00 0.00 46.19 45.35 2rkt s LEU 139 CO -0.00 0.00 0.10 -1.58 0.02 0.00 0.00 176.35 174.89 2rkt s GLN 140 N -2.45 0.03 -0.35 1.70 0.74 -0.18 -1.64 119.66 117.50 2rkt s GLN 140 Ca 0.12 0.33 -0.11 0.00 0.05 0.00 0.00 55.36 55.76 2rkt s GLN 140 Cb -0.07 -0.24 0.02 0.00 1.10 0.00 0.00 33.01 33.82 2rkt s GLN 140 CO 0.06 -0.19 0.19 -0.51 -0.55 0.00 0.00 175.29 174.28 2rkt s LEU 141 N 1.33 4.52 -0.33 3.68 1.43 0.24 -1.03 118.68 128.51 2rkt s LEU 141 Ca -0.07 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 2rkt s LEU 141 Cb -0.12 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2rkt s LEU 141 CO -0.05 -0.32 0.18 0.20 0.23 0.00 0.00 176.35 176.59 2rkt s ASN 142 N 1.58 5.65 -0.13 2.29 0.01 0.08 -0.63 114.94 123.80 2rkt s ASN 142 Ca 0.03 -0.66 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 2rkt s ASN 142 Cb -0.18 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 2rkt s ASN 142 CO 0.07 -0.26 1.04 -0.36 -1.51 0.00 0.00 177.10 176.08 2rkt s PHE 143 N 1.61 3.43 0.35 2.20 0.08 0.60 -0.75 117.98 125.48 2rkt s PHE 143 Ca 0.04 1.51 0.08 0.00 0.12 0.00 0.00 56.93 58.68 2rkt s PHE 143 Cb -0.18 -3.24 -0.07 0.00 -0.57 0.00 0.00 43.02 38.97 2rkt s PHE 143 CO 0.07 -0.44 -0.06 0.96 -0.10 0.00 0.00 175.22 175.65 2rkt s ILE 144 N 2.30 2.03 0.05 0.64 -4.36 -0.76 -0.24 121.20 120.87 2rkt s ILE 144 Ca 0.49 -2.14 -0.31 0.00 -0.26 0.00 0.00 60.65 58.43 2rkt s ILE 144 Cb -0.18 -2.70 -0.10 0.00 1.25 0.00 0.00 42.46 40.73 2rkt s ILE 144 CO 0.16 -0.16 1.90 1.17 0.24 0.00 0.00 174.94 178.25 2rkt n LYS 145 N -0.79 2.72 -1.45 0.37 4.81 -1.26 -1.29 118.16 121.28 2rkt n LYS 145 Ca -0.05 0.99 -0.15 0.00 -0.87 0.00 0.00 58.31 58.23 2rkt n LYS 145 Cb 0.64 -2.91 -0.07 0.00 0.02 0.00 0.00 35.03 32.72 2rkt n LYS 145 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rkt n GLY 146 N 4.39 1.53 3.11 3.14 0.00 -1.26 -1.04 105.19 115.05 2rkt n GLY 146 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2rkt n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkt n GLY 147 N -0.63 0.91 2.82 -0.02 0.00 -0.41 -1.60 105.19 106.26 2rkt n GLY 147 Ca -0.15 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 2rkt n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rkt s LEU 148 N 0.00 1.33 -0.25 0.99 2.96 0.79 -1.83 118.68 122.68 2rkt s LEU 148 Ca 0.16 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2rkt s LEU 148 Cb -0.03 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.53 2rkt s LEU 148 CO 0.07 -0.08 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.35 2rkt s ILE 149 N 0.79 3.12 -0.16 6.68 1.01 0.07 -0.63 121.20 132.09 2rkt s ILE 149 Ca -0.07 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 2rkt s ILE 149 Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2rkt s ILE 149 CO -0.02 0.23 0.46 -0.22 0.00 0.00 0.00 174.94 175.39 2rkt s LEU 150 N 1.38 4.22 -0.10 2.97 2.96 0.31 -0.74 118.68 129.68 2rkt s LEU 150 Ca 0.02 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 2rkt s LEU 150 Cb -0.16 -2.64 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 2rkt s LEU 150 CO -0.03 -0.05 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.82 2rkt s THR 151 N 1.01 2.16 -0.18 3.68 2.01 -0.20 -0.12 115.64 124.00 2rkt s THR 151 Ca 0.24 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2rkt s THR 151 Cb -0.15 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 2rkt s THR 151 CO 0.09 0.56 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.81 2rkt s VAL 152 N 0.26 3.27 -0.20 3.82 1.01 -0.47 -1.01 120.40 127.07 2rkt s VAL 152 Ca -0.16 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 2rkt s VAL 152 Cb -0.17 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2rkt s VAL 152 CO 0.08 0.47 0.09 0.20 0.00 0.00 0.00 175.10 175.94 2rkt s ASN 153 N 0.96 5.73 -0.09 3.32 -0.87 0.65 -2.06 114.94 122.58 2rkt s ASN 153 Ca -0.01 0.07 0.03 0.00 -1.57 0.00 0.00 52.86 51.38 2rkt s ASN 153 Cb -0.15 -2.00 -0.02 0.00 -0.02 0.00 0.00 41.25 39.07 2rkt s ASN 153 CO -0.00 0.13 -0.17 -0.83 -2.57 0.00 0.00 177.10 173.66 2rkt s GLY 154 N 0.62 1.46 -0.03 0.66 0.00 -0.06 -1.37 107.32 108.60 2rkt s GLY 154 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 2rkt s GLY 154 CO 0.01 -0.46 1.70 1.62 0.00 0.00 0.00 173.10 175.97 2rkt s GLN 155 N -0.05 4.18 0.41 2.90 -0.44 -0.44 -1.07 119.66 125.14 2rkt s GLN 155 Ca -0.04 2.26 0.19 0.00 -2.50 0.00 0.00 55.36 55.26 2rkt s GLN 155 Cb -0.14 -3.99 0.88 0.00 -1.64 0.00 0.00 33.01 28.12 2rkt s GLN 155 CO 0.04 -0.85 1.85 1.25 0.50 0.00 0.00 175.29 178.08 2rkt h HIS 156 N 9.62 0.00 -0.04 1.67 -0.00 -1.29 -2.01 115.15 123.10 2rkt h HIS 156 Ca -0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.91 2rkt h HIS 156 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 2rkt h HIS 156 CO 0.89 0.31 -0.20 0.78 -0.00 0.00 0.00 177.93 179.72 2rkt h GLY 157 N 1.43 0.07 0.33 5.26 0.00 -1.80 -3.39 103.07 104.97 2rkt h GLY 157 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2rkt h GLY 157 CO 0.04 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.62 2rkt n ALA 158 N -2.50 2.62 -2.01 3.60 0.00 -0.76 -4.45 120.51 117.02 2rkt n ALA 158 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2rkt n ALA 158 Cb 0.28 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2rkt n ALA 158 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2rkt n ASP 160 N -0.53 0.00 0.00 0.00 5.68 -0.70 -4.01 116.55 116.99 2rkt n ASP 160 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2rkt n ASP 160 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2rkt n ASP 160 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2rkt n VAL 162 N 0.00 0.00 -0.04 2.12 0.31 -1.26 -0.66 118.33 118.80 2rkt n VAL 162 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2rkt n VAL 162 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2rkt n VAL 162 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2rkt h GLY 163 N 0.00 0.85 1.01 2.92 0.00 -1.74 -1.77 103.07 104.33 2rkt h GLY 163 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 2rkt h GLY 163 CO 0.00 0.94 0.48 -1.61 0.00 0.00 0.00 176.54 176.36 2rkt h GLN 164 N 0.57 1.09 -0.44 4.80 4.15 -1.10 -0.29 115.11 123.89 2rkt h GLN 164 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2rkt h GLN 164 Cb 1.23 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 2rkt h GLN 164 CO 0.13 0.77 0.28 0.22 -1.93 0.00 0.00 178.83 178.30 2rkt h ASP 165 N 1.10 0.52 -0.37 -0.69 3.58 -1.79 0.86 116.42 119.63 2rkt h ASP 165 Ca 0.29 -0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.74 2rkt h ASP 165 Cb -0.04 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 2rkt h ASP 165 CO -0.05 0.41 0.12 0.00 -2.88 0.00 0.00 179.24 176.83 2rkt h ALA 166 N 1.14 0.43 0.28 -0.78 0.00 -0.66 0.93 119.26 120.60 2rkt h ALA 166 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2rkt h ALA 166 Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rkt h ALA 166 CO -0.03 -0.28 -0.14 0.28 0.00 0.00 0.00 179.25 179.09 2rkt h VAL 167 N 0.27 0.74 -0.65 0.00 2.07 -0.67 -2.03 116.25 115.97 2rkt h VAL 167 Ca 0.17 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.68 2rkt h VAL 167 Cb 0.16 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 2rkt h VAL 167 CO -0.19 0.02 0.26 0.40 0.02 0.00 0.00 177.57 178.09 2rkt h ILE 168 N -0.44 0.77 -0.55 4.57 2.04 -0.74 -0.38 117.51 122.78 2rkt h ILE 168 Ca -0.04 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2rkt h ILE 168 Cb 0.33 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2rkt h ILE 168 CO 0.06 0.08 0.26 -0.09 0.00 0.00 0.00 178.15 178.46 2rkt h ARG 169 N 0.45 0.48 -0.07 2.37 2.43 -0.73 -0.01 114.38 119.29 2rkt h ARG 169 Ca 0.33 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2rkt h ARG 169 Cb 0.41 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2rkt h ARG 169 CO -0.31 0.32 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.08 2rkt h LEU 170 N 0.49 0.13 -0.28 3.80 3.38 -0.66 -1.56 115.31 120.62 2rkt h LEU 170 Ca 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2rkt h LEU 170 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2rkt h LEU 170 CO -0.20 0.45 -0.04 0.25 0.09 0.00 0.00 178.44 178.99 2rkt h LEU 171 N 0.12 0.52 0.49 1.67 5.85 -0.30 -0.21 115.31 123.45 2rkt h LEU 171 Ca 0.02 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2rkt h LEU 171 Cb 0.62 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2rkt h LEU 171 CO 0.05 0.74 -0.29 -1.28 -0.34 0.00 0.00 178.44 177.31 2rkt h SER 172 N 0.29 -0.72 -0.94 1.25 0.87 -0.72 -0.14 113.55 113.44 2rkt h SER 172 Ca 0.07 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 60.82 2rkt h SER 172 Cb 0.50 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 62.51 2rkt h SER 172 CO 0.02 -0.46 -0.40 0.11 -0.53 0.00 0.00 176.83 175.57 2rkt h LYS 173 N -0.73 -0.02 -0.37 2.24 1.57 -1.28 -0.61 116.57 117.36 2rkt h LYS 173 Ca -0.06 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2rkt h LYS 173 Cb 0.59 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 2rkt h LYS 173 CO 0.07 -0.02 -0.26 0.00 -0.57 0.00 0.00 179.45 178.67 2rkt h ALA 174 N 1.25 -0.06 -0.21 3.86 0.00 -0.51 -0.16 119.26 123.44 2rkt h ALA 174 Ca 0.32 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2rkt h ALA 174 Cb 0.58 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2rkt h ALA 174 CO -0.95 -0.65 -0.02 0.00 0.00 0.00 0.00 179.25 177.64 2rkt n ARG 176 N -4.34 3.22 -3.48 0.00 1.85 -0.27 -4.43 116.66 109.20 2rkt n ARG 176 Ca 0.00 -2.67 -0.24 0.00 -1.00 0.00 0.00 57.85 53.95 2rkt n ARG 176 Cb 0.20 -1.74 0.07 0.00 -1.05 0.00 0.00 32.46 29.94 2rkt n ARG 176 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rkt n ASN 177 N 1.29 -6.36 -4.87 2.89 3.02 -0.81 -4.90 115.26 105.53 2rkt n ASN 177 Ca 0.24 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 54.00 2rkt n ASN 177 Cb 0.75 -5.03 -0.04 0.00 -0.61 0.00 0.00 39.78 34.86 2rkt n ASN 177 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2rkt s ASP 178 N -3.20 6.55 0.52 6.41 1.01 -0.14 -5.05 116.67 122.79 2rkt s ASP 178 Ca 0.53 1.12 -0.19 0.00 0.71 0.00 0.00 52.55 54.73 2rkt s ASP 178 Cb -0.24 -2.32 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 2rkt s ASP 178 CO 0.66 -0.35 1.04 -2.16 0.21 0.00 0.00 175.17 174.57 2rkt s PRO 179 N -3.69 3.65 0.10 8.23 0.05 -1.26 -4.61 135.00 137.47 2rkt s PRO 179 Ca 0.51 1.29 -0.23 0.00 0.05 0.00 0.00 61.00 62.62 2rkt s PRO 179 Cb -0.10 -2.08 -0.07 0.00 0.05 0.00 0.00 34.50 32.30 2rkt s PRO 179 CO 0.29 -0.55 0.68 -0.06 0.05 0.00 0.00 177.00 177.41 2rkt s PHE 180 N -2.17 3.83 0.59 0.56 0.08 -1.26 -5.00 117.98 114.60 2rkt s PHE 180 Ca 0.66 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 59.02 2rkt s PHE 180 Cb -0.16 -2.67 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2rkt s PHE 180 CO 0.26 0.49 1.01 0.95 -0.10 0.00 0.00 175.22 177.83 2rkt s THR 181 N -0.88 4.66 0.32 0.64 -4.23 -1.26 -4.96 115.64 109.94 2rkt s THR 181 Ca 0.33 0.97 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 2rkt s THR 181 Cb -0.21 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.00 2rkt s THR 181 CO 0.22 -1.02 1.91 -0.08 -0.54 0.00 0.00 174.62 175.12 2rkt h GLU 182 N 0.03 0.75 -0.79 3.99 4.57 -2.05 -2.87 114.58 118.21 2rkt h GLU 182 Ca -0.45 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 57.58 2rkt h GLU 182 Cb 1.19 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 2rkt h GLU 182 CO 0.62 0.62 0.33 1.49 -1.18 0.00 0.00 179.01 180.88 2rkt h GLU 183 N 0.74 1.17 -0.46 1.92 4.22 -2.05 -0.59 114.58 119.54 2rkt h GLU 183 Ca 0.18 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2rkt h GLU 183 Cb 0.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2rkt h GLU 183 CO -0.02 0.95 0.00 0.39 -2.18 0.00 0.00 179.01 178.15 2rkt n GLU 184 N -4.30 0.13 0.00 1.92 1.02 -1.08 -0.90 120.64 117.43 2rkt n GLU 184 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2rkt n GLU 184 Cb 0.18 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2rkt n GLU 184 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2rkt n THR 186 N 0.53 0.00 0.00 2.62 -1.04 -0.23 -4.64 114.28 111.52 2rkt n THR 186 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2rkt n THR 186 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2rkt n THR 186 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rkt n ALA 187 N 0.00 1.21 0.00 2.41 0.00 -0.08 -1.31 120.51 122.75 2rkt n ALA 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rkt n ALA 187 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2rkt n ALA 187 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rkt n ASN 189 N 0.96 0.00 -4.68 0.00 4.13 -1.26 -4.42 115.26 109.98 2rkt n ASN 189 Ca 0.00 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 2rkt n ASN 189 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2rkt n ASN 189 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2rkt n LEU 190 N 0.00 3.33 -4.76 3.41 4.77 -0.42 -4.95 117.00 118.39 2rkt n LEU 190 Ca 0.00 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.75 2rkt n LEU 190 Cb 0.00 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 39.61 2rkt n LEU 190 CO 0.00 -0.49 1.00 -0.62 -1.33 0.00 0.00 177.39 175.95 2rkt s ASP 191 N -0.02 6.79 -0.14 -1.43 2.15 -1.26 -4.96 116.67 117.81 2rkt s ASP 191 Ca 0.61 2.60 -0.09 0.00 0.43 0.00 0.00 52.55 56.11 2rkt s ASP 191 Cb -0.60 -2.63 -0.25 0.00 -0.30 0.00 0.00 42.92 39.13 2rkt s ASP 191 CO 0.56 -0.56 0.32 0.54 -0.17 0.00 0.00 175.17 175.87 2rkt n ARG 192 N 1.59 0.73 0.18 4.34 1.74 -1.26 -3.95 116.66 120.02 2rkt n ARG 192 Ca 0.03 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2rkt n ARG 192 Cb 0.42 -1.71 0.65 0.00 -1.02 0.00 0.00 32.46 30.80 2rkt n ARG 192 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2rkt h LYS 193 N -0.10 0.00 -0.04 5.56 2.10 -1.76 -1.66 116.57 120.68 2rkt h LYS 193 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2rkt h LYS 193 Cb 1.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2rkt h LYS 193 CO 0.03 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.73 2rkt n THR 194 N -2.38 0.19 0.32 0.07 -2.24 -1.26 -4.71 114.28 104.27 2rkt n THR 194 Ca -0.01 -0.60 0.15 0.00 -2.27 0.00 0.00 64.05 61.33 2rkt n THR 194 Cb 0.08 0.99 0.61 0.00 -2.10 0.00 0.00 70.33 69.92 2rkt n THR 194 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2rkt h ILE 195 N 1.00 0.00 -3.65 2.28 2.10 -1.42 -3.35 117.51 114.47 2rkt h ILE 195 Ca 0.00 -0.42 -0.70 0.00 1.08 0.00 0.00 64.86 64.83 2rkt h ILE 195 Cb 0.29 1.32 -0.30 0.00 -1.09 0.00 0.00 36.82 37.04 2rkt h ILE 195 CO 0.00 0.00 -0.61 -0.69 -1.08 0.00 0.00 178.15 175.77 2rkt s VAL 196 N -3.53 3.59 0.16 2.19 1.01 -1.26 -5.04 120.40 117.50 2rkt s VAL 196 Ca 0.02 -1.34 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 2rkt s VAL 196 Cb 0.09 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 2rkt s VAL 196 CO 0.49 -0.26 1.62 -2.84 0.00 0.00 0.00 175.10 174.11 2rkt s PRO 197 N 1.34 4.19 0.56 2.72 0.02 -1.26 -4.97 135.00 137.61 2rkt s PRO 197 Ca -0.01 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.27 2rkt s PRO 197 Cb -0.20 -3.23 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 2rkt s PRO 197 CO 0.01 -0.66 1.01 0.71 -0.33 0.00 0.00 177.00 177.74 2rkt s TYR 198 N 1.45 3.41 0.06 6.54 4.12 -1.26 -4.79 117.35 126.88 2rkt s TYR 198 Ca 0.72 1.43 -0.19 0.00 0.02 0.00 0.00 57.07 59.05 2rkt s TYR 198 Cb -0.44 -2.81 -0.07 0.00 -1.52 0.00 0.00 41.96 37.12 2rkt s TYR 198 CO 0.32 -0.59 0.55 -0.51 0.02 0.00 0.00 175.55 175.34 2rkt s LEU 199 N -4.47 4.52 0.08 -1.29 1.43 -1.26 -5.05 118.68 112.65 2rkt s LEU 199 Ca 0.59 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.61 2rkt s LEU 199 Cb -0.11 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 2rkt s LEU 199 CO 0.39 0.27 0.98 -1.83 0.23 0.00 0.00 176.35 176.39 2rkt s GLU 200 N -1.07 4.65 -1.26 1.70 4.04 -1.26 -4.05 118.70 121.45 2rkt s GLU 200 Ca 0.28 1.47 -0.02 0.00 0.04 0.00 0.00 54.97 56.75 2rkt s GLU 200 Cb -0.19 -3.39 0.00 0.00 0.02 0.00 0.00 34.13 30.57 2rkt s GLU 200 CO 0.18 0.12 0.94 0.09 -1.84 0.00 0.00 175.26 174.75 2rkt n ASN 201 N 3.10 -2.41 -4.78 0.83 3.02 -1.26 -4.97 115.26 108.79 2rkt n ASN 201 Ca 0.04 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.53 2rkt n ASN 201 Cb 0.49 -4.78 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 2rkt n ASN 201 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2rkt s TYR 202 N -3.43 3.72 0.00 3.10 5.04 -1.26 -4.98 117.35 119.54 2rkt s TYR 202 Ca 0.10 1.19 -0.01 0.00 -2.44 0.00 0.00 57.07 55.91 2rkt s TYR 202 Cb -0.04 -2.55 -0.00 0.00 0.35 0.00 0.00 41.96 39.72 2rkt s TYR 202 CO 0.76 0.44 -0.01 0.25 -1.34 0.00 0.00 175.55 175.64 2rkt n THR 203 N 2.38 0.15 -3.48 4.34 -2.24 -1.26 -5.00 114.28 109.17 2rkt n THR 203 Ca -0.09 0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 2rkt n THR 203 Cb 0.51 -1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 2rkt n THR 203 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2rkt s ILE 204 N -1.15 -0.07 0.02 2.28 2.07 -1.26 -4.98 121.20 118.11 2rkt s ILE 204 Ca -0.01 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2rkt s ILE 204 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 2rkt s ILE 204 CO 0.02 0.00 0.03 0.61 -1.91 0.00 0.00 174.94 173.69 2rkt n GLY 205 N 3.83 3.30 0.08 1.50 0.00 -1.26 -5.01 105.19 107.63 2rkt n GLY 205 Ca -0.13 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.51 2rkt n GLY 205 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rkt n PRO 206 N -0.04 0.10 0.18 1.61 -0.04 -1.26 -2.78 135.00 132.78 2rkt n PRO 206 Ca 0.00 0.44 0.02 0.00 -0.04 0.00 0.00 63.50 63.92 2rkt n PRO 206 Cb 0.04 -1.72 0.35 0.00 -0.04 0.00 0.00 33.50 32.12 2rkt n PRO 206 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rkt h GLU 207 N 0.00 0.00 -0.56 0.54 3.07 -1.93 -2.51 114.58 113.19 2rkt h GLU 207 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2rkt h GLU 207 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2rkt h GLU 207 CO 0.00 0.39 0.00 1.33 -1.40 0.00 0.00 179.01 179.33 2rkt n VAL 208 N -4.06 1.89 -1.55 3.13 0.24 -1.12 -4.61 118.33 112.26 2rkt n VAL 208 Ca -0.02 -1.29 -0.50 0.00 -2.04 0.00 0.00 64.34 60.49 2rkt n VAL 208 Cb 0.42 0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 2rkt n VAL 208 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2rkt n ASP 209 N 0.79 0.96 -0.07 -1.34 8.00 -0.95 -2.01 116.55 121.93 2rkt n ASP 209 Ca 0.24 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.87 2rkt n ASP 209 Cb 0.87 -1.15 -0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2rkt n ASP 209 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2rkt n HIS 210 N 1.46 0.00 -0.25 1.24 8.25 -1.26 -4.85 115.22 119.81 2rkt n HIS 210 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2rkt n HIS 210 Cb 0.22 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2rkt n HIS 210 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2rkt n GLN 211 N -1.63 -0.26 -4.27 -0.41 6.02 -0.85 -3.29 117.38 112.69 2rkt n GLN 211 Ca -0.01 -0.34 -0.34 0.00 -0.01 0.00 0.00 57.00 56.30 2rkt n GLN 211 Cb 0.20 -0.83 -0.13 0.00 1.02 0.00 0.00 30.24 30.50 2rkt n GLN 211 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2rkt s ILE 212 N -0.06 3.59 0.18 5.09 1.01 -1.25 -1.24 121.20 128.51 2rkt s ILE 212 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 2rkt s ILE 212 Cb 0.00 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.81 2rkt s ILE 212 CO 0.00 0.47 0.98 -0.69 0.00 0.00 0.00 174.94 175.69 2rkt s VAL 213 N 0.81 4.18 -0.03 2.92 1.01 0.14 -4.75 120.40 124.68 2rkt s VAL 213 Ca -0.02 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2rkt s VAL 213 Cb -0.15 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.00 2rkt s VAL 213 CO 0.02 0.39 0.01 -0.54 0.00 0.00 0.00 175.10 174.97 2rkt s LYS 214 N -0.62 0.20 0.48 2.72 1.02 -1.26 -4.95 119.74 117.32 2rkt s LYS 214 Ca 0.45 0.10 0.18 0.00 0.02 0.00 0.00 55.97 56.72 2rkt s LYS 214 Cb -0.26 -0.41 1.18 0.00 -0.52 0.00 0.00 37.83 37.82 2rkt s LYS 214 CO 0.32 -0.14 2.02 0.00 -0.92 0.00 0.00 175.35 176.62 2rkt h ALA 215 N 7.25 2.15 -0.30 5.17 0.00 -1.99 -0.57 119.26 130.98 2rkt h ALA 215 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rkt h ALA 215 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2rkt h ALA 215 CO 0.48 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 2rkt n ASP 216 N -4.45 1.66 -3.90 0.00 5.75 -1.26 -4.71 116.55 109.64 2rkt n ASP 216 Ca 0.07 -2.02 -0.23 0.00 -0.01 0.00 0.00 54.79 52.61 2rkt n ASP 216 Cb 0.39 -0.22 -0.17 0.00 -1.03 0.00 0.00 41.12 40.09 2rkt n ASP 216 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2rkt s VAL 217 N -1.60 0.73 0.25 2.12 1.01 -0.22 -5.13 120.40 117.55 2rkt s VAL 217 Ca 0.20 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2rkt s VAL 217 Cb 0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 2rkt s VAL 217 CO 0.13 0.29 1.32 0.00 0.00 0.00 0.00 175.10 176.84 2rkt s ALA 218 N 1.22 3.53 0.00 5.51 0.00 -1.26 -4.53 121.76 126.22 2rkt s ALA 218 Ca -0.06 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2rkt s ALA 218 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2rkt s ALA 218 CO -0.02 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2rkt n GLY 219 N 1.88 1.24 0.00 0.00 0.00 -1.25 -3.71 105.19 103.35 2rkt n GLY 219 Ca 0.04 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2rkt n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkt n GLY 220 N -1.87 3.32 0.00 -0.02 0.00 0.52 -4.81 105.19 102.34 2rkt n GLY 220 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2rkt n GLY 220 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rkt n PRO 226 N 0.00 0.00 -4.40 1.61 -0.02 -1.26 0.00 135.00 130.93 2rkt n PRO 226 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.21 2rkt n PRO 226 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 2rkt n PRO 226 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rkt s VAL 227 N 0.00 2.05 -0.03 -1.45 0.11 -1.26 -5.08 120.40 114.74 2rkt s VAL 227 Ca 0.00 -1.85 -0.30 0.00 -2.93 0.00 0.00 61.98 56.90 2rkt s VAL 227 Cb 0.00 -2.90 -0.07 0.00 -1.53 0.00 0.00 36.38 31.88 2rkt s VAL 227 CO 0.00 0.00 1.87 -0.55 -3.33 0.00 0.00 175.10 173.09 2rkt s SER 228 N -3.83 6.43 0.27 3.54 0.15 -1.26 -4.94 113.70 114.06 2rkt s SER 228 Ca 0.35 2.40 -0.11 0.00 0.70 0.00 0.00 55.95 59.29 2rkt s SER 228 Cb 0.06 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2rkt s SER 228 CO 0.19 -1.11 0.49 0.00 1.20 0.00 0.00 173.24 174.01 2rkt s ALA 229 N 4.71 -0.07 0.29 5.45 0.00 -1.26 -1.33 121.76 129.54 2rkt s ALA 229 Ca 0.84 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 2rkt s ALA 229 Cb -0.38 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2rkt s ALA 229 CO 0.37 -0.85 0.42 -1.54 0.00 0.00 0.00 175.76 174.16 2rkt s SER 230 N -3.06 0.51 0.10 0.00 1.04 -0.83 -4.85 113.70 106.62 2rkt s SER 230 Ca 0.24 -1.31 0.08 0.00 0.48 0.00 0.00 55.95 55.44 2rkt s SER 230 Cb -0.01 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 2rkt s SER 230 CO 0.11 -1.18 -0.14 0.26 0.98 0.00 0.00 173.24 173.27 2rkt s TRP 231 N -3.52 2.64 -0.07 5.02 0.52 -1.26 -2.59 118.94 119.67 2rkt s TRP 231 Ca 0.30 -0.21 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 2rkt s TRP 231 Cb 0.01 -1.40 0.07 0.00 -1.15 0.00 0.00 33.47 30.99 2rkt s TRP 231 CO 0.16 0.39 0.67 0.00 0.02 0.00 0.00 176.95 178.19 2rkt s ALA 232 N -1.15 -1.74 0.33 0.98 0.00 -0.49 -4.90 121.76 114.78 2rkt s ALA 232 Ca 0.19 1.35 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 2rkt s ALA 232 Cb -0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 2rkt s ALA 232 CO 0.11 -0.36 0.91 -0.06 0.00 0.00 0.00 175.76 176.36 2rkt s PHE 233 N -1.07 3.62 -0.04 0.00 2.99 -0.22 -0.99 117.98 122.27 2rkt s PHE 233 Ca -0.10 1.69 0.03 0.00 0.00 0.00 0.00 56.93 58.55 2rkt s PHE 233 Cb -0.01 -2.86 0.00 0.00 0.00 0.00 0.00 43.02 40.15 2rkt s PHE 233 CO 0.09 0.17 -0.12 -0.06 -0.00 0.00 0.00 175.22 175.30 2rkt s PHE 234 N -1.71 1.26 -0.05 0.36 0.40 -0.13 -0.93 117.98 117.19 2rkt s PHE 234 Ca 0.51 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.41 2rkt s PHE 234 Cb -0.17 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 2rkt s PHE 234 CO 0.21 -0.16 0.22 0.99 0.70 0.00 0.00 175.22 177.18 2rkt s THR 235 N 0.28 5.38 -0.20 0.64 2.01 0.15 -1.48 115.64 122.41 2rkt s THR 235 Ca -0.06 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2rkt s THR 235 Cb -0.11 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.93 2rkt s THR 235 CO 0.02 0.48 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.97 2rkt s PHE 236 N -1.17 2.43 0.84 4.92 0.40 0.05 -0.99 117.98 124.45 2rkt s PHE 236 Ca 0.22 -1.59 -0.11 0.00 -0.60 0.00 0.00 56.93 54.85 2rkt s PHE 236 Cb -0.13 -1.64 0.10 0.00 0.51 0.00 0.00 43.02 41.85 2rkt s PHE 236 CO 0.11 -0.74 1.10 -1.54 0.70 0.00 0.00 175.22 174.85 2rkt s SER 237 N 1.39 3.90 0.56 1.36 1.04 -1.26 -1.17 113.70 119.52 2rkt s SER 237 Ca -0.01 1.75 0.26 0.00 0.48 0.00 0.00 55.95 58.43 2rkt s SER 237 Cb -0.16 -2.41 1.55 0.00 0.10 0.00 0.00 66.02 65.10 2rkt s SER 237 CO -0.08 -2.41 2.11 -0.65 0.98 0.00 0.00 173.24 173.19 2rkt h PRO 238 N -1.39 0.00 -0.07 4.02 0.11 -1.84 -2.23 132.00 130.60 2rkt h PRO 238 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2rkt h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2rkt h PRO 238 CO 0.51 0.00 -0.17 -0.22 -0.21 0.00 0.00 178.00 177.91 2rkt h LYS 239 N 0.00 0.25 0.00 1.05 3.64 -1.92 -2.21 116.57 117.38 2rkt h LYS 239 Ca 0.09 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2rkt h LYS 239 Cb 0.44 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2rkt h LYS 239 CO -0.00 0.77 0.00 0.00 -2.27 0.00 0.00 179.45 177.95 2rkt n ALA 240 N -2.45 0.72 0.00 5.00 0.00 -0.84 -1.32 120.51 121.63 2rkt n ALA 240 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2rkt n ALA 240 Cb 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2rkt n ALA 240 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rkt n SER 242 N 0.21 0.00 0.07 0.00 2.88 -0.83 -1.16 113.62 114.79 2rkt n SER 242 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2rkt n SER 242 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2rkt n SER 242 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2rkt h GLU 243 N 0.00 0.38 -0.37 -1.46 5.08 -1.47 -2.08 114.58 114.65 2rkt h GLU 243 Ca 0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2rkt h GLU 243 Cb 0.00 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2rkt h GLU 243 CO 0.00 1.06 0.16 -0.07 -1.00 0.00 0.00 179.01 179.16 2rkt h LEU 244 N 0.22 0.50 -0.80 1.33 3.38 -1.39 0.85 115.31 119.40 2rkt h LEU 244 Ca -0.07 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.83 2rkt h LEU 244 Cb 1.52 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 2rkt h LEU 244 CO 0.15 0.51 0.47 0.11 0.09 0.00 0.00 178.44 179.77 2rkt h LYS 245 N 0.46 0.79 -0.43 1.13 1.57 -1.82 -0.66 116.57 117.61 2rkt h LYS 245 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2rkt h LYS 245 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2rkt h LYS 245 CO -0.01 0.52 0.21 -0.44 -0.57 0.00 0.00 179.45 179.16 2rkt h ASP 246 N 0.82 0.56 -0.73 0.86 3.32 -0.74 -1.79 116.42 118.71 2rkt h ASP 246 Ca 0.37 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2rkt h ASP 246 Cb 0.27 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2rkt h ASP 246 CO -0.21 0.53 0.30 0.00 -1.72 0.00 0.00 179.24 178.14 2rkt h ALA 247 N 1.05 1.13 -0.04 3.45 0.00 -0.51 -1.96 119.26 122.39 2rkt h ALA 247 Ca 0.15 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2rkt h ALA 247 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2rkt h ALA 247 CO -0.02 0.63 -0.74 0.00 0.00 0.00 0.00 179.25 179.12 2rkt h ALA 248 N 1.25 0.68 -0.17 0.00 0.00 -0.98 -3.21 119.26 116.82 2rkt h ALA 248 Ca 0.25 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 2rkt h ALA 248 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2rkt h ALA 248 CO -0.02 0.82 -0.67 1.79 0.00 0.00 0.00 179.25 181.16 2rkt h THR 249 N 0.15 1.31 0.00 0.00 1.35 -1.04 -3.10 112.91 111.58 2rkt h THR 249 Ca -0.03 -1.92 -0.00 0.00 -0.55 0.00 0.00 66.41 63.91 2rkt h THR 249 Cb 1.31 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2rkt h THR 249 CO 0.11 0.60 -0.01 0.11 -0.25 0.00 0.00 175.52 176.09 2rkt h LYS 250 N 0.49 0.00 -0.02 4.72 1.57 -1.36 -3.12 116.57 118.85 2rkt h LYS 250 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2rkt h LYS 250 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2rkt h LYS 250 CO 0.13 0.01 -0.02 0.25 -0.57 0.00 0.00 179.45 179.25 2rkt n THR 251 N -3.67 1.93 0.00 -0.16 -2.24 -1.17 -5.05 114.28 103.91 2rkt n THR 251 Ca -0.03 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 2rkt n THR 251 Cb 0.09 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2rkt n THR 251 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2rkt n LEU 252 N -1.36 0.00 -4.84 3.22 4.77 -1.18 -3.18 117.00 114.42 2rkt n LEU 252 Ca 0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 2rkt n LEU 252 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2rkt n LEU 252 CO 0.02 0.00 0.43 -0.36 -1.33 0.00 0.00 177.39 176.15 2rkt s PHE 258 N 0.00 3.39 0.22 -1.77 0.40 -1.26 -4.63 117.98 114.33 2rkt s PHE 258 Ca 0.00 1.26 0.11 0.00 -0.60 0.00 0.00 56.93 57.70 2rkt s PHE 258 Cb 0.00 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 2rkt s PHE 258 CO 0.00 0.10 -0.21 0.14 0.70 0.00 0.00 175.22 175.95 2rkt s VAL 259 N -1.96 2.29 0.68 -0.44 -7.23 -1.26 -5.04 120.40 107.44 2rkt s VAL 259 Ca 0.54 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2rkt s VAL 259 Cb -0.11 -2.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 2rkt s VAL 259 CO 0.17 -0.28 1.06 -0.94 -0.31 0.00 0.00 175.10 174.81 2rkt s SER 260 N -3.01 5.67 0.23 4.85 1.04 -1.26 -4.88 113.70 116.34 2rkt s SER 260 Ca 0.24 1.37 -0.07 0.00 0.48 0.00 0.00 55.95 57.96 2rkt s SER 260 Cb -0.06 -2.28 0.41 0.00 0.10 0.00 0.00 66.02 64.19 2rkt s SER 260 CO 0.11 -1.22 1.68 0.74 0.98 0.00 0.00 173.24 175.53 2rkt h THR 261 N -0.57 0.52 0.35 2.02 2.02 -2.01 -0.93 112.91 114.32 2rkt h THR 261 Ca -0.45 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2rkt h THR 261 Cb 1.22 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2rkt h THR 261 CO 0.61 0.04 -0.29 -0.78 0.37 0.00 0.00 175.52 175.47 2rkt h ASP 262 N 0.24 -0.78 0.00 4.18 1.82 -1.99 -0.83 116.42 119.05 2rkt h ASP 262 Ca 0.38 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2rkt h ASP 262 Cb 0.64 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2rkt h ASP 262 CO -0.50 -0.40 0.00 0.47 -1.61 0.00 0.00 179.24 177.19 2rkt n ASP 263 N -4.14 0.00 -0.08 2.28 9.92 -1.24 -0.28 116.55 123.01 2rkt n ASP 263 Ca -0.07 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.08 2rkt n ASP 263 Cb 0.28 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 2rkt n ASP 263 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rkt h ALA 264 N 0.00 0.32 -0.53 2.24 0.00 -0.48 -0.70 119.26 120.11 2rkt h ALA 264 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2rkt h ALA 264 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2rkt h ALA 264 CO 0.00 -0.08 -0.13 1.25 0.00 0.00 0.00 179.25 180.29 2rkt h LEU 265 N 0.25 1.03 -0.02 0.00 5.85 -0.92 -0.96 115.31 120.56 2rkt h LEU 265 Ca 0.08 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2rkt h LEU 265 Cb 0.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2rkt h LEU 265 CO -0.01 1.15 -0.00 0.28 -0.34 0.00 0.00 178.44 179.52 2rkt h SER 266 N 0.90 -0.01 -0.55 1.25 0.02 -0.53 -1.48 113.55 113.14 2rkt h SER 266 Ca 0.13 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2rkt h SER 266 Cb 0.70 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 2rkt h SER 266 CO 0.05 -0.00 0.18 0.00 -1.14 0.00 0.00 176.83 175.92 2rkt h ALA 267 N 1.01 0.67 -0.50 3.77 0.00 -0.99 -0.46 119.26 122.77 2rkt h ALA 267 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2rkt h ALA 267 Cb 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2rkt h ALA 267 CO -0.02 -0.23 0.27 0.35 0.00 0.00 0.00 179.25 179.63 2rkt h PHE 268 N 0.35 0.50 -0.22 0.00 3.57 -1.03 -0.74 116.94 119.36 2rkt h PHE 268 Ca 0.27 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 2rkt h PHE 268 Cb 0.33 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2rkt h PHE 268 CO -0.18 0.26 -0.21 0.82 -2.23 0.00 0.00 178.31 176.77 2rkt h ILE 269 N 0.53 1.32 0.07 1.41 2.04 -0.84 -0.98 117.51 121.07 2rkt h ILE 269 Ca 0.22 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.74 2rkt h ILE 269 Cb 0.09 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2rkt h ILE 269 CO -0.13 0.42 -0.27 -0.25 0.00 0.00 0.00 178.15 177.92 2rkt h TRP 270 N 0.21 -0.73 -0.44 1.37 7.01 -0.95 0.38 115.95 122.80 2rkt h TRP 270 Ca 0.04 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.15 2rkt h TRP 270 Cb 0.75 0.31 -0.09 0.00 -2.10 0.00 0.00 29.16 28.03 2rkt h TRP 270 CO 0.08 -0.37 -0.17 -0.22 -2.79 0.00 0.00 178.44 174.96 2rkt h LYS 271 N -0.46 -0.08 -0.32 2.65 3.64 -1.16 0.96 116.57 121.81 2rkt h LYS 271 Ca 0.04 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2rkt h LYS 271 Cb 0.50 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2rkt h LYS 271 CO -0.19 -0.05 -0.04 0.77 -2.27 0.00 0.00 179.45 177.67 2rkt h SER 272 N -0.08 0.59 -0.61 4.20 0.02 -0.89 0.27 113.55 117.05 2rkt h SER 272 Ca 0.21 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2rkt h SER 272 Cb 0.41 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2rkt h SER 272 CO -0.50 0.79 0.34 0.00 -1.14 0.00 0.00 176.83 176.32 2rkt h ALA 273 N 0.82 0.80 -0.14 3.77 0.00 -0.82 -1.43 119.26 122.26 2rkt h ALA 273 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2rkt h ALA 273 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2rkt h ALA 273 CO 0.02 0.02 0.03 0.77 0.00 0.00 0.00 179.25 180.09 2rkt h SER 274 N 0.64 0.22 -0.21 0.00 0.02 -0.44 -1.65 113.55 112.13 2rkt h SER 274 Ca 0.26 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2rkt h SER 274 Cb 0.13 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 2rkt h SER 274 CO -0.16 0.41 -0.33 -0.09 -1.14 0.00 0.00 176.83 175.52 2rkt h ARG 275 N 0.02 -0.35 0.00 3.45 2.43 -0.31 -1.61 114.38 118.01 2rkt h ARG 275 Ca 0.04 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2rkt h ARG 275 Cb 0.28 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2rkt h ARG 275 CO 0.00 -0.23 -0.26 -0.39 -1.51 0.00 0.00 179.97 177.58 2rkt h VAL 276 N -0.36 1.15 0.00 0.20 -1.51 -1.20 -2.81 116.25 111.73 2rkt h VAL 276 Ca 0.12 -0.89 -0.04 0.00 -1.23 0.00 0.00 66.70 64.65 2rkt h VAL 276 Cb 0.55 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2rkt h VAL 276 CO -0.41 0.25 -0.21 0.03 -1.23 0.00 0.00 177.57 176.00 2rkt h ARG 277 N 0.00 0.00 -0.65 5.19 3.08 -0.52 -2.64 114.38 118.84 2rkt h ARG 277 Ca -0.00 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.24 2rkt h ARG 277 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2rkt h ARG 277 CO 0.03 0.21 0.57 -0.07 -1.07 0.00 0.00 179.97 179.64 2rkt h LEU 278 N 0.00 0.00 -0.10 3.04 3.38 -1.04 -1.24 115.31 119.35 2rkt h LEU 278 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rkt h LEU 278 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2rkt h LEU 278 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 2rkt n GLU 279 N -3.93 0.04 0.00 1.13 -0.58 -0.99 -3.82 120.64 112.49 2rkt n GLU 279 Ca 0.13 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2rkt n GLU 279 Cb 0.81 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 2rkt n GLU 279 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2rkt n ARG 280 N -1.65 0.81 -3.91 3.49 1.85 -0.64 -5.10 116.66 111.51 2rkt n ARG 280 Ca 0.04 -0.04 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2rkt n ARG 280 Cb 0.24 -0.29 -0.08 0.00 -1.05 0.00 0.00 32.46 31.28 2rkt n ARG 280 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2rkt s ILE 281 N -0.13 0.16 0.40 8.89 -0.00 -0.56 -5.15 121.20 124.81 2rkt s ILE 281 Ca 0.00 -1.31 -0.23 0.00 -0.00 0.00 0.00 60.65 59.10 2rkt s ILE 281 Cb 0.00 -1.36 -0.10 0.00 -0.00 0.00 0.00 42.46 41.01 2rkt s ILE 281 CO 0.00 -0.72 1.00 -0.62 -0.00 0.00 0.00 174.94 174.60 2rkt s ASP 282 N -2.83 6.88 0.65 4.36 2.15 -1.26 -4.35 116.67 122.27 2rkt s ASP 282 Ca 0.05 1.90 0.31 0.00 0.43 0.00 0.00 52.55 55.24 2rkt s ASP 282 Cb 0.05 -2.57 1.66 0.00 -0.30 0.00 0.00 42.92 41.76 2rkt s ASP 282 CO -0.10 -0.40 1.93 1.23 -0.17 0.00 0.00 175.17 177.66 2rkt h GLY 283 N 2.41 0.00 1.99 2.66 0.00 -1.94 0.01 103.07 108.20 2rkt h GLY 283 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2rkt h GLY 283 CO 0.62 0.00 -0.01 -1.14 0.00 0.00 0.00 176.54 176.01 2rkt n SER 284 N -2.86 0.32 -4.67 0.19 3.41 -1.26 -0.13 113.62 108.62 2rkt n SER 284 Ca -0.02 0.52 -0.47 0.00 -0.26 0.00 0.00 58.87 58.64 2rkt n SER 284 Cb 0.34 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 2rkt n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rkt n ALA 285 N -1.61 1.13 -1.75 7.33 0.00 -0.01 -4.78 120.51 120.82 2rkt n ALA 285 Ca 0.06 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2rkt n ALA 285 Cb 0.38 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.47 2rkt n ALA 285 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2rkt s PRO 286 N 2.02 2.98 -0.05 0.00 0.02 -1.26 -0.45 135.00 138.26 2rkt s PRO 286 Ca 0.84 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.92 2rkt s PRO 286 Cb -0.69 -2.07 0.02 0.00 0.02 0.00 0.00 34.50 31.78 2rkt s PRO 286 CO 0.43 -1.26 -0.06 -0.08 -0.33 0.00 0.00 177.00 175.70 2rkt s THR 287 N -1.42 0.65 -0.19 0.99 -1.32 0.90 -4.63 115.64 110.62 2rkt s THR 287 Ca 0.76 -0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 61.02 2rkt s THR 287 Cb -0.36 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2rkt s THR 287 CO 0.41 0.25 -0.05 -0.70 -2.21 0.00 0.00 174.62 172.32 2rkt s GLU 288 N 0.91 3.49 -0.25 7.08 2.12 -1.26 -1.50 118.70 129.29 2rkt s GLU 288 Ca -0.11 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.47 2rkt s GLU 288 Cb -0.14 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2rkt s GLU 288 CO 0.00 0.01 0.40 0.12 -0.54 0.00 0.00 175.26 175.25 2rkt s PHE 289 N 0.93 3.27 -0.17 5.30 5.36 0.35 -1.41 117.98 131.62 2rkt s PHE 289 Ca -0.00 0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.41 2rkt s PHE 289 Cb -0.15 -2.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 2rkt s PHE 289 CO 0.01 -0.19 -0.05 0.00 -1.46 0.00 0.00 175.22 173.53 2rkt s ARG 291 N 0.64 1.72 0.34 0.00 3.52 -0.20 -0.85 118.95 124.12 2rkt s ARG 291 Ca -0.03 -0.47 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 2rkt s ARG 291 Cb -0.15 -1.92 -0.10 0.00 -1.56 0.00 0.00 34.95 31.22 2rkt s ARG 291 CO 0.02 -0.33 1.29 0.00 -0.81 0.00 0.00 175.30 175.48 2rkt s ALA 292 N 1.60 3.45 -0.05 6.12 0.00 -0.27 -0.55 121.76 132.07 2rkt s ALA 292 Ca 0.03 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 2rkt s ALA 292 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.54 2rkt s ALA 292 CO -0.09 -0.64 0.03 0.08 0.00 0.00 0.00 175.76 175.14 2rkt s VAL 293 N -1.17 0.09 -0.01 0.00 1.01 0.06 -4.68 120.40 115.71 2rkt s VAL 293 Ca 0.50 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 2rkt s VAL 293 Cb -0.39 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2rkt s VAL 293 CO 0.51 0.19 1.98 -0.67 0.00 0.00 0.00 175.10 177.12 2rkt n ASP 294 N 5.00 3.95 -0.26 3.32 2.03 -1.26 -1.02 116.55 128.31 2rkt n ASP 294 Ca -0.10 0.86 0.14 0.00 0.52 0.00 0.00 54.79 56.21 2rkt n ASP 294 Cb 0.50 -1.50 0.51 0.00 -0.72 0.00 0.00 41.12 39.91 2rkt n ASP 294 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rkt n ALA 295 N 7.69 2.85 0.03 -1.67 0.00 -0.27 -4.27 120.51 124.88 2rkt n ALA 295 Ca 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2rkt n ALA 295 Cb 0.39 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2rkt n ALA 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rkt h ARG 296 N 1.25 -0.09 -0.21 0.00 3.08 -1.87 -2.97 114.38 113.57 2rkt h ARG 296 Ca 0.00 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2rkt h ARG 296 Cb 0.44 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 2rkt h ARG 296 CO 0.00 -0.06 -0.15 -1.35 -1.07 0.00 0.00 179.97 177.34 2rkt h PRO 297 N -0.09 -0.14 -1.94 0.04 0.11 -1.76 -0.45 132.00 127.77 2rkt h PRO 297 Ca 0.04 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2rkt h PRO 297 Cb 0.15 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2rkt h PRO 297 CO -0.10 -0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.60 2rkt n ALA 298 N -2.62 1.67 -2.33 -0.75 0.00 -1.12 -4.51 120.51 110.85 2rkt n ALA 298 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2rkt n ALA 298 Cb 0.22 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.32 2rkt n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkt n GLY 300 N 1.38 1.03 3.79 0.00 0.00 -0.43 -4.68 105.19 106.29 2rkt n GLY 300 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2rkt n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkt s VAL 301 N 0.06 4.91 0.37 1.61 1.01 -0.31 -5.08 120.40 122.96 2rkt s VAL 301 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 2rkt s VAL 301 Cb 0.21 -3.17 -0.12 0.00 0.00 0.00 0.00 36.38 33.31 2rkt s VAL 301 CO -0.06 0.50 1.02 -0.24 0.00 0.00 0.00 175.10 176.32 2rkt n SER 302 N 1.67 1.35 0.29 3.32 2.88 -1.26 -4.35 113.62 117.52 2rkt n SER 302 Ca -0.16 1.10 0.18 0.00 -1.33 0.00 0.00 58.87 58.66 2rkt n SER 302 Cb 0.54 -1.34 0.96 0.00 -0.75 0.00 0.00 64.21 63.61 2rkt n SER 302 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2rkt h ASN 303 N 1.76 0.00 0.04 -3.46 -1.24 -1.98 -2.10 115.58 108.60 2rkt h ASN 303 Ca -0.43 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.58 2rkt h ASN 303 Cb 1.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.38 2rkt h ASN 303 CO 0.58 0.00 -0.09 0.59 -1.29 0.00 0.00 177.43 177.22 2rkt n ASN 304 N -3.24 1.73 -4.67 1.15 3.02 -1.26 -4.78 115.26 107.21 2rkt n ASN 304 Ca -0.01 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 2rkt n ASN 304 Cb 0.27 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 2rkt n ASN 304 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2rkt s TYR 305 N -2.14 1.45 -2.13 3.10 5.04 -0.79 -4.87 117.35 117.01 2rkt s TYR 305 Ca 0.32 -0.38 0.16 0.00 -2.44 0.00 0.00 57.07 54.73 2rkt s TYR 305 Cb 0.20 -4.24 0.70 0.00 0.35 0.00 0.00 41.96 38.97 2rkt s TYR 305 CO 0.39 -5.45 1.49 -0.35 -1.34 0.00 0.00 175.55 170.29 2rkt n PRO 306 N 7.16 1.47 0.00 4.97 -0.04 -1.26 -4.23 135.00 143.07 2rkt n PRO 306 Ca 0.19 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2rkt n PRO 306 Cb 0.40 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2rkt n PRO 306 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rkt n GLY 307 N 0.96 1.18 3.10 0.55 0.00 -1.26 -4.40 105.19 105.33 2rkt n GLY 307 Ca 0.13 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2rkt n GLY 307 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rkt s LEU 308 N 0.00 4.51 -0.40 0.99 1.98 -1.26 -1.72 118.68 122.78 2rkt s LEU 308 Ca 0.00 -1.77 0.02 0.00 -2.89 0.00 0.00 54.13 49.49 2rkt s LEU 308 Cb 0.00 -1.70 0.16 0.00 0.66 0.00 0.00 46.19 45.30 2rkt s LEU 308 CO 0.00 -0.37 0.29 -0.22 -1.89 0.00 0.00 176.35 174.15 2rkt s LEU 309 N 1.10 1.42 0.01 -0.68 2.96 -1.26 -4.62 118.68 117.61 2rkt s LEU 309 Ca 0.03 -2.72 -0.13 0.00 -0.22 0.00 0.00 54.13 51.09 2rkt s LEU 309 Cb -0.21 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.01 2rkt s LEU 309 CO -0.04 -0.23 0.27 -1.58 -1.32 0.00 0.00 176.35 173.45 2rkt s GLN 310 N 0.43 0.69 0.00 1.98 0.74 -1.26 -1.11 119.66 121.12 2rkt s GLN 310 Ca 0.26 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.31 2rkt s GLN 310 Cb -0.09 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2rkt s GLN 310 CO -0.10 -0.20 0.00 -1.71 -0.55 0.00 0.00 175.29 172.73 2rkt n ASN 311 N 1.04 0.00 -4.24 6.67 2.85 -0.19 -4.82 115.26 116.56 2rkt n ASN 311 Ca -0.21 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.11 2rkt n ASN 311 Cb 0.57 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.49 2rkt n ASN 311 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2rkt s THR 313 N 3.88 1.23 -0.06 -0.44 -4.23 0.29 -0.76 115.64 115.55 2rkt s THR 313 Ca 0.00 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2rkt s THR 313 Cb 0.00 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.17 2rkt s THR 313 CO 0.00 -0.60 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.07 2rkt s TYR 314 N -2.79 1.24 -0.09 3.99 1.51 -1.26 -1.03 117.35 118.92 2rkt s TYR 314 Ca 0.13 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2rkt s TYR 314 Cb -0.01 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 2rkt s TYR 314 CO 0.02 -0.25 -0.03 -1.01 -1.11 0.00 0.00 175.55 173.17 2rkt s HIS 315 N 0.73 1.02 -0.08 2.71 3.76 -0.44 -4.98 115.29 118.01 2rkt s HIS 315 Ca -0.14 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2rkt s HIS 315 Cb -0.15 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 2rkt s HIS 315 CO 0.03 -0.42 -0.24 -0.80 -0.85 0.00 0.00 174.74 172.46 2rkt s ASN 316 N 1.86 3.16 0.00 1.40 0.01 -1.26 -0.50 114.94 119.61 2rkt s ASN 316 Ca 0.05 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 2rkt s ASN 316 Cb -0.13 -1.11 0.00 0.00 0.41 0.00 0.00 41.25 40.42 2rkt s ASN 316 CO -0.07 0.21 0.00 -0.24 -1.51 0.00 0.00 177.10 175.49 2rkt n SER 317 N 3.19 0.00 -4.47 -1.22 2.88 -0.56 -5.01 113.62 108.43 2rkt n SER 317 Ca -0.18 -0.06 -0.26 0.00 -1.33 0.00 0.00 58.87 57.04 2rkt n SER 317 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2rkt n SER 317 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2rkt s THR 318 N -2.81 2.59 0.21 2.46 -4.23 -1.26 -0.07 115.64 112.53 2rkt s THR 318 Ca 0.00 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 2rkt s THR 318 Cb 0.00 -2.28 0.25 0.00 1.34 0.00 0.00 72.50 71.81 2rkt s THR 318 CO 0.00 -0.17 1.62 0.40 -0.54 0.00 0.00 174.62 175.93 2rkt h ILE 319 N 2.90 0.34 -0.43 2.99 1.08 -0.74 -1.56 117.51 122.08 2rkt h ILE 319 Ca -0.45 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.94 2rkt h ILE 319 Cb 1.22 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2rkt h ILE 319 CO 0.52 0.00 -0.02 1.23 -0.69 0.00 0.00 178.15 179.19 2rkt h GLY 320 N -0.01 0.83 0.95 5.37 0.00 -0.80 -1.52 103.07 107.90 2rkt h GLY 320 Ca 0.31 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2rkt h GLY 320 CO -0.68 0.57 0.16 1.05 0.00 0.00 0.00 176.54 177.64 2rkt h GLU 321 N 0.60 0.43 -0.37 4.80 -0.00 -1.69 -1.95 114.58 116.40 2rkt h GLU 321 Ca 0.12 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.36 59.38 2rkt h GLU 321 Cb 0.51 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.17 2rkt h GLU 321 CO 0.03 0.38 0.07 0.82 -0.00 0.00 0.00 179.01 180.30 2rkt h ILE 322 N 0.36 1.24 -0.77 -1.06 1.08 -1.23 -1.69 117.51 115.44 2rkt h ILE 322 Ca 0.11 -0.83 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 2rkt h ILE 322 Cb 0.09 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 2rkt h ILE 322 CO -0.02 0.28 0.31 0.00 -0.69 0.00 0.00 178.15 178.04 2rkt h ALA 323 N 0.91 1.00 0.00 1.87 0.00 -1.22 -3.30 119.26 118.52 2rkt h ALA 323 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2rkt h ALA 323 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rkt h ALA 323 CO 0.01 0.62 -1.78 0.09 0.00 0.00 0.00 179.25 178.19 2rkt n ASN 324 N -4.31 0.33 -4.60 0.00 3.02 -0.74 -4.87 115.26 104.09 2rkt n ASN 324 Ca 0.07 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.47 2rkt n ASN 324 Cb 0.18 1.14 0.20 0.00 -0.61 0.00 0.00 39.78 40.70 2rkt n ASN 324 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2rkt s GLU 325 N -3.17 -0.05 0.87 3.52 -1.05 -0.64 -5.02 118.70 113.17 2rkt s GLU 325 Ca -0.06 0.71 -0.11 0.00 -0.15 0.00 0.00 54.97 55.36 2rkt s GLU 325 Cb 0.11 -1.67 0.12 0.00 -0.44 0.00 0.00 34.13 32.25 2rkt s GLU 325 CO 0.85 -3.11 1.09 -1.54 0.95 0.00 0.00 175.26 173.51 2rkt s SER 326 N -3.04 3.62 0.11 0.83 1.04 -1.26 -4.88 113.70 110.12 2rkt s SER 326 Ca 0.66 1.64 -0.17 0.00 0.48 0.00 0.00 55.95 58.56 2rkt s SER 326 Cb -0.21 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 2rkt s SER 326 CO 0.60 -2.57 1.61 0.25 0.98 0.00 0.00 173.24 174.11 2rkt h LEU 327 N -1.50 0.47 -1.19 2.42 5.85 -1.87 -2.42 115.31 117.07 2rkt h LEU 327 Ca -0.48 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.05 2rkt h LEU 327 Cb 1.27 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2rkt h LEU 327 CO 0.52 0.58 0.56 1.23 -0.34 0.00 0.00 178.44 180.99 2rkt h GLY 328 N 0.34 1.21 0.72 3.75 0.00 -1.70 0.10 103.07 107.50 2rkt h GLY 328 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2rkt h GLY 328 CO 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 176.54 176.77 2rkt h ALA 329 N 1.51 -0.16 -0.56 3.60 0.00 -1.46 0.08 119.26 122.27 2rkt h ALA 329 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2rkt h ALA 329 Cb 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2rkt h ALA 329 CO -0.10 -0.62 0.04 1.15 0.00 0.00 0.00 179.25 179.72 2rkt h THR 330 N -0.22 1.25 -0.17 0.00 2.02 -0.93 -2.49 112.91 112.38 2rkt h THR 330 Ca 0.04 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.11 2rkt h THR 330 Cb 0.26 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2rkt h THR 330 CO -0.11 0.37 -0.22 0.00 0.37 0.00 0.00 175.52 175.94 2rkt h ALA 331 N 1.16 1.33 -0.13 6.16 0.00 -0.55 -2.42 119.26 124.82 2rkt h ALA 331 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2rkt h ALA 331 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2rkt h ALA 331 CO 0.02 0.45 -0.17 0.77 0.00 0.00 0.00 179.25 180.32 2rkt h SER 332 N 0.27 0.20 -0.38 0.00 0.02 -0.52 -2.07 113.55 111.07 2rkt h SER 332 Ca 0.05 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2rkt h SER 332 Cb 0.53 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2rkt h SER 332 CO 0.04 0.39 0.11 0.03 -1.14 0.00 0.00 176.83 176.26 2rkt h ARG 333 N 0.20 0.68 0.00 3.45 3.08 -1.28 -2.93 114.38 117.58 2rkt h ARG 333 Ca 0.04 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 2rkt h ARG 333 Cb 0.43 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2rkt h ARG 333 CO 0.03 0.62 -0.92 -0.07 -1.07 0.00 0.00 179.97 178.55 2rkt h LEU 334 N 0.66 0.00 -0.90 3.04 3.38 -1.32 -3.24 115.31 116.93 2rkt h LEU 334 Ca 0.15 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2rkt h LEU 334 Cb 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 2rkt h LEU 334 CO -0.00 0.75 -0.51 0.54 0.09 0.00 0.00 178.44 179.30 2rkt n ARG 335 N -3.21 -0.38 nan 1.13 5.12 -0.85 -4.97 116.66 nan 2rkt n ARG 335 Ca -0.02 1.36 nan 0.00 -1.93 0.00 0.00 57.85 nan 2rkt n ARG 335 Cb 0.86 -2.01 nan 0.00 -1.16 0.00 0.00 32.46 nan 2rkt n ARG 335 CO 0.00 0.00 nan 0.43 -1.93 0.00 0.00 177.63 nan 2rkt n SER 336 N -5.15 nan 0.00 0.55 7.64 -1.23 -5.14 113.62 nan 2rkt n SER 336 Ca 0.03 nan 0.00 0.00 1.01 0.00 0.00 58.87 nan 2rkt n SER 336 Cb 0.25 nan 0.00 0.00 -1.01 0.00 0.00 64.21 nan 2rkt n SER 336 CO 0.00 nan 0.00 -0.90 -3.01 0.00 0.00 175.04 nan 2rkt n ASP 339 N nan 0.00 -0.09 6.43 5.75 0.00 -5.57 116.55 nan 2rkt n ASP 339 Ca nan 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 nan 2rkt n ASP 339 Cb nan 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 nan 2rkt n ASP 339 CO nan 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 nan 2rkt h PRO 340 N 0.00 0.67 -0.49 0.11 0.11 -1.99 -3.09 132.00 127.32 2rkt h PRO 340 Ca 0.00 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2rkt h PRO 340 Cb 0.00 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.92 2rkt h PRO 340 CO 0.00 0.44 0.26 0.00 -0.21 0.00 0.00 178.00 178.49 2rkt h ALA 341 N 1.67 0.62 0.00 -0.75 0.00 -2.01 0.27 119.26 119.05 2rkt h ALA 341 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2rkt h ALA 341 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rkt h ALA 341 CO -0.06 -0.07 0.00 0.45 0.00 0.00 0.00 179.25 179.57 2rkt n SER 342 N -4.87 0.45 0.00 0.00 2.88 -1.17 -1.22 113.62 109.69 2rkt n SER 342 Ca 0.04 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 2rkt n SER 342 Cb 0.11 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2rkt n SER 342 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2rkt n ARG 344 N 0.59 0.00 -0.14 -1.46 0.63 0.95 -0.58 116.66 116.66 2rkt n ARG 344 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2rkt n ARG 344 Cb 0.09 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.98 2rkt n ARG 344 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2rkt h GLN 345 N 0.00 0.77 -0.36 -0.14 5.75 -1.39 -1.25 115.11 118.50 2rkt h GLN 345 Ca 0.00 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 2rkt h GLN 345 Cb 0.00 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2rkt h GLN 345 CO 0.00 0.88 0.04 0.00 -2.65 0.00 0.00 178.83 177.10 2rkt h ARG 346 N 0.59 0.60 -0.38 1.69 3.08 -1.09 -1.79 114.38 117.09 2rkt h ARG 346 Ca 0.11 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 2rkt h ARG 346 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2rkt h ARG 346 CO 0.03 0.69 -0.35 1.15 -1.07 0.00 0.00 179.97 180.43 2rkt h THR 347 N 0.43 1.28 -0.47 2.04 2.02 -1.78 0.28 112.91 116.72 2rkt h THR 347 Ca 0.11 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.79 2rkt h THR 347 Cb 0.40 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2rkt h THR 347 CO 0.01 0.51 0.28 0.03 0.37 0.00 0.00 175.52 176.72 2rkt h ARG 348 N 0.72 0.55 -0.19 6.66 3.08 -1.21 -0.33 114.38 123.66 2rkt h ARG 348 Ca 0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2rkt h ARG 348 Cb 0.92 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 2rkt h ARG 348 CO 0.09 0.36 0.10 0.78 -1.07 0.00 0.00 179.97 180.23 2rkt h GLY 349 N 0.56 0.29 0.39 0.04 0.00 -1.05 0.17 103.07 103.47 2rkt h GLY 349 Ca 0.18 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.43 2rkt h GLY 349 CO -0.08 0.13 -0.15 -2.00 0.00 0.00 0.00 176.54 174.43 2rkt h LEU 350 N 0.20 -0.49 -0.71 3.11 5.85 -0.85 0.22 115.31 122.64 2rkt h LEU 350 Ca 0.07 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2rkt h LEU 350 Cb 0.07 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2rkt h LEU 350 CO -0.01 -0.19 0.46 0.00 -0.34 0.00 0.00 178.44 178.35 2rkt h ALA 351 N 0.95 0.90 -0.55 1.25 0.00 -0.87 -1.45 119.26 119.49 2rkt h ALA 351 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2rkt h ALA 351 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rkt h ALA 351 CO -0.28 0.33 0.05 1.15 0.00 0.00 0.00 179.25 180.50 2rkt h THR 352 N 0.96 1.26 -0.40 0.00 2.02 -0.41 0.12 112.91 116.46 2rkt h THR 352 Ca 0.26 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.42 2rkt h THR 352 Cb -0.09 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2rkt h THR 352 CO -0.05 0.37 0.24 0.22 0.37 0.00 0.00 175.52 176.67 2rkt h TYR 353 N 0.81 0.45 -0.04 3.16 3.20 -0.24 -0.17 116.97 124.15 2rkt h TYR 353 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2rkt h TYR 353 Cb 0.47 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2rkt h TYR 353 CO 0.03 0.26 0.02 -0.07 -1.64 0.00 0.00 178.16 176.77 2rkt h LEU 354 N 0.49 0.06 -1.07 2.82 3.38 -1.07 -3.00 115.31 116.91 2rkt h LEU 354 Ca 0.16 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2rkt h LEU 354 Cb 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2rkt h LEU 354 CO -0.07 0.19 0.62 -0.74 0.09 0.00 0.00 178.44 178.53 2rkt h HIS 355 N -0.08 1.08 0.00 1.13 2.76 -0.53 -1.47 115.15 118.04 2rkt h HIS 355 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2rkt h HIS 355 Cb 0.15 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.77 2rkt h HIS 355 CO -0.02 0.42 0.00 0.09 -1.30 0.00 0.00 177.93 177.12 2rkt n ASN 356 N -4.61 0.00 -4.02 3.26 3.02 -0.09 -4.72 115.26 108.11 2rkt n ASN 356 Ca 0.19 -0.64 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 2rkt n ASN 356 Cb 0.38 -0.10 -0.16 0.00 -0.61 0.00 0.00 39.78 39.29 2rkt n ASN 356 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2rkt s ASN 357 N -2.19 3.19 0.44 6.41 0.01 -0.55 -4.99 114.94 117.26 2rkt s ASN 357 Ca 0.38 -0.76 0.23 0.00 -0.71 0.00 0.00 52.86 51.99 2rkt s ASN 357 Cb 0.19 -1.25 0.96 0.00 0.41 0.00 0.00 41.25 41.56 2rkt s ASN 357 CO 0.36 -0.11 1.85 -0.65 -1.51 0.00 0.00 177.10 177.05 2rkt h PRO 358 N 7.99 0.00 -4.63 -0.60 0.11 -1.83 -3.38 132.00 129.66 2rkt h PRO 358 Ca -0.32 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.09 2rkt h PRO 358 Cb 1.11 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.99 2rkt h PRO 358 CO 0.51 0.24 -0.51 0.34 -0.21 0.00 0.00 178.00 178.37 2rkt s ASP 359 N -6.26 5.74 -0.12 -2.05 -1.08 -1.24 0.39 116.67 112.06 2rkt s ASP 359 Ca -0.00 -0.85 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 2rkt s ASP 359 Cb 0.11 -2.04 0.59 0.00 -1.46 0.00 0.00 42.92 40.12 2rkt s ASP 359 CO 0.64 -0.34 1.50 0.29 0.52 0.00 0.00 175.17 177.78 2rkt n LYS 360 N 5.01 3.43 0.00 4.34 5.02 -1.26 -4.64 118.16 130.07 2rkt n LYS 360 Ca -0.12 -2.73 0.14 0.00 -2.02 0.00 0.00 58.31 53.59 2rkt n LYS 360 Cb 0.47 -1.78 0.68 0.00 -0.02 0.00 0.00 35.03 34.38 2rkt n LYS 360 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2rkt n SER 361 N 0.47 0.02 -1.18 4.39 3.41 -1.26 -3.12 113.62 116.35 2rkt n SER 361 Ca 0.22 0.19 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 2rkt n SER 361 Cb 0.82 -0.39 0.30 0.00 -0.26 0.00 0.00 64.21 64.68 2rkt n SER 361 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2rkt n ASN 362 N -1.40 4.38 -4.38 4.04 3.02 -1.26 -4.93 115.26 114.74 2rkt n ASN 362 Ca 0.10 -3.01 -0.33 0.00 -0.03 0.00 0.00 54.58 51.31 2rkt n ASN 362 Cb 0.30 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 2rkt n ASN 362 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2rkt s VAL 363 N -2.83 2.90 -0.17 2.41 1.01 -1.18 -0.68 120.40 121.86 2rkt s VAL 363 Ca 0.46 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 2rkt s VAL 363 Cb 0.36 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.61 2rkt s VAL 363 CO 0.11 0.55 0.44 -0.55 0.00 0.00 0.00 175.10 175.64 2rkt s SER 364 N 0.05 -0.47 0.10 3.32 0.15 -0.38 -4.94 113.70 111.53 2rkt s SER 364 Ca -0.06 0.89 0.13 0.00 0.70 0.00 0.00 55.95 57.61 2rkt s SER 364 Cb -0.15 0.89 0.57 0.00 -1.71 0.00 0.00 66.02 65.63 2rkt s SER 364 CO 0.05 -0.16 1.39 0.18 1.20 0.00 0.00 173.24 175.90 2rkt n LEU 365 N 2.97 0.21 -2.03 3.45 4.77 -1.26 -2.40 117.00 122.70 2rkt n LEU 365 Ca -0.14 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 2rkt n LEU 365 Cb 0.57 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2rkt n LEU 365 CO 0.12 -0.51 0.10 0.35 -1.33 0.00 0.00 177.39 176.12 2rkt n THR 366 N -1.76 1.45 -0.23 -5.08 -2.24 -1.26 -4.90 114.28 100.26 2rkt n THR 366 Ca 0.01 -2.88 0.11 0.00 -2.27 0.00 0.00 64.05 59.02 2rkt n THR 366 Cb 0.10 0.41 0.40 0.00 -2.10 0.00 0.00 70.33 69.14 2rkt n THR 366 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rkt h ALA 367 N 1.93 1.86 -0.05 6.98 0.00 -1.46 0.16 119.26 128.68 2rkt h ALA 367 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rkt h ALA 367 Cb 1.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2rkt h ALA 367 CO 0.28 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 2rkt n ASP 368 N -4.52 2.37 -4.48 0.00 5.68 -1.25 -3.23 116.55 111.11 2rkt n ASP 368 Ca 0.15 -2.53 -0.43 0.00 -0.50 0.00 0.00 54.79 51.49 2rkt n ASP 368 Cb 0.42 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 2rkt n ASP 368 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rkt s ALA 369 N -1.91 3.11 0.04 2.12 0.00 -1.07 -4.71 121.76 119.34 2rkt s ALA 369 Ca 0.18 -2.18 -0.30 0.00 0.00 0.00 0.00 51.96 49.66 2rkt s ALA 369 Cb 0.15 -4.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 2rkt s ALA 369 CO 0.03 -3.02 1.84 0.34 0.00 0.00 0.00 175.76 174.95 2rkt s ASP 370 N 3.87 6.50 0.53 0.00 -1.08 -1.24 -4.30 116.67 120.94 2rkt s ASP 370 Ca 0.30 2.59 0.18 0.00 -0.52 0.00 0.00 52.55 55.11 2rkt s ASP 370 Cb -0.09 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.17 2rkt s ASP 370 CO 0.01 -1.00 2.16 -0.65 0.52 0.00 0.00 175.17 176.21 2rkt h PRO 371 N 9.65 0.00 -0.16 4.34 0.11 -1.90 -0.27 132.00 143.76 2rkt h PRO 371 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2rkt h PRO 371 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2rkt h PRO 371 CO 0.94 0.01 -0.12 1.03 -0.21 0.00 0.00 178.00 179.66 2rkt h SER 372 N 0.00 0.24 0.00 -2.05 0.87 -1.90 -3.35 113.55 107.37 2rkt h SER 372 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2rkt h SER 372 Cb 0.02 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2rkt h SER 372 CO 0.00 0.39 0.00 0.35 -0.53 0.00 0.00 176.83 177.04 2rkt n THR 373 N -4.28 0.00 -2.00 2.23 -2.24 -0.98 -5.07 114.28 101.94 2rkt n THR 373 Ca -0.01 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2rkt n THR 373 Cb 0.26 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 2rkt n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2rkt s SER 374 N -0.49 5.25 0.00 3.42 0.01 -0.15 -4.11 113.70 117.63 2rkt s SER 374 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2rkt s SER 374 Cb 0.00 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2rkt s SER 374 CO 0.00 -1.42 0.00 0.52 0.41 0.00 0.00 173.24 172.75 2rkt n VAL 375 N -2.99 0.00 0.00 3.43 0.31 -0.50 -4.77 118.33 113.81 2rkt n VAL 375 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2rkt n VAL 375 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 2rkt n VAL 375 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2rkt n LEU 377 N 0.00 0.00 -4.03 7.52 7.94 -0.03 -0.07 117.00 128.33 2rkt n LEU 377 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2rkt n LEU 377 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 2rkt n LEU 377 CO 0.00 0.00 -0.45 -0.44 -1.11 0.00 0.00 177.39 175.39 2rkt s SER 378 N 0.00 4.10 -0.10 1.96 0.01 -1.26 -1.11 113.70 117.30 2rkt s SER 378 Ca 0.00 -1.24 -0.24 0.00 1.31 0.00 0.00 55.95 55.78 2rkt s SER 378 Cb 0.00 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2rkt s SER 378 CO 0.00 -0.19 0.75 -0.55 0.41 0.00 0.00 173.24 173.66 2rkt s SER 379 N 1.23 6.98 -0.21 2.44 0.15 -1.26 -2.55 113.70 120.47 2rkt s SER 379 Ca -0.07 1.19 0.15 0.00 0.70 0.00 0.00 55.95 57.92 2rkt s SER 379 Cb -0.19 -2.43 0.60 0.00 -1.71 0.00 0.00 66.02 62.29 2rkt s SER 379 CO -0.06 -0.22 1.52 0.79 1.20 0.00 0.00 173.24 176.47 2rkt n TRP 380 N 4.31 1.30 -0.08 3.44 8.01 0.11 -4.74 117.44 129.78 2rkt n TRP 380 Ca 0.01 -0.93 0.08 0.00 -1.31 0.00 0.00 57.50 55.34 2rkt n TRP 380 Cb 0.50 -0.40 0.44 0.00 -2.01 0.00 0.00 31.31 29.85 2rkt n TRP 380 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2rkt h ALA 381 N 2.22 1.83 -0.00 6.99 0.00 -1.91 -2.56 119.26 125.83 2rkt h ALA 381 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rkt h ALA 381 Cb 1.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2rkt h ALA 381 CO 0.33 0.08 -0.17 0.36 0.00 0.00 0.00 179.25 179.86 2rkt n LYS 382 N -4.47 0.29 -1.41 0.00 2.85 -1.26 -1.88 118.16 112.29 2rkt n LYS 382 Ca 0.08 -0.09 -0.30 0.00 -1.05 0.00 0.00 58.31 56.94 2rkt n LYS 382 Cb 0.23 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.21 2rkt n LYS 382 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2rkt s VAL 383 N -2.77 3.10 -1.27 0.58 -7.23 -0.98 -4.94 120.40 106.89 2rkt s VAL 383 Ca 0.20 0.36 0.19 0.00 -1.81 0.00 0.00 61.98 60.91 2rkt s VAL 383 Cb 0.19 -2.99 0.67 0.00 0.56 0.00 0.00 36.38 34.81 2rkt s VAL 383 CO 0.55 -0.47 1.57 0.61 -0.31 0.00 0.00 175.10 177.05 2rkt n GLY 384 N -1.66 2.76 0.42 2.32 0.00 -1.26 -4.65 105.19 103.13 2rkt n GLY 384 Ca 0.07 -0.81 0.24 0.00 0.00 0.00 0.00 46.02 45.52 2rkt n GLY 384 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rkt h LEU 385 N 3.88 0.07 -1.17 0.99 3.38 -1.93 -1.86 115.31 118.67 2rkt h LEU 385 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rkt h LEU 385 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2rkt h LEU 385 CO 0.16 0.03 0.00 0.79 0.09 0.00 0.00 178.44 179.51 2rkt n TRP 386 N -4.35 0.81 1.20 1.13 7.02 -1.26 -2.26 117.44 119.73 2rkt n TRP 386 Ca 0.15 0.37 0.13 0.00 -1.02 0.00 0.00 57.50 57.13 2rkt n TRP 386 Cb 0.77 -1.10 0.31 0.00 -2.42 0.00 0.00 31.31 28.87 2rkt n TRP 386 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2rkt n ASP 387 N -2.29 1.18 -4.60 -0.99 2.03 -0.70 -4.28 116.55 106.90 2rkt n ASP 387 Ca 0.00 -0.98 -0.41 0.00 0.52 0.00 0.00 54.79 53.92 2rkt n ASP 387 Cb 0.12 0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.66 2rkt n ASP 387 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2rkt s TYR 388 N -2.51 3.22 -0.32 -0.67 4.12 -0.96 -4.88 117.35 115.34 2rkt s TYR 388 Ca 0.23 0.59 0.18 0.00 0.02 0.00 0.00 57.07 58.09 2rkt s TYR 388 Cb 0.19 -2.98 -0.24 0.00 -1.52 0.00 0.00 41.96 37.40 2rkt s TYR 388 CO 0.53 -0.47 0.52 -0.40 0.02 0.00 0.00 175.55 175.76 2rkt n ASP 389 N 5.87 0.87 -2.18 2.29 5.68 -1.26 -4.27 116.55 123.55 2rkt n ASP 389 Ca -0.01 -0.34 -0.18 0.00 -0.50 0.00 0.00 54.79 53.76 2rkt n ASP 389 Cb 0.49 1.51 -0.03 0.00 -1.14 0.00 0.00 41.12 41.95 2rkt n ASP 389 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2rkt n PHE 390 N -1.85 -0.87 -1.63 2.11 3.01 -1.26 -1.91 117.46 115.05 2rkt n PHE 390 Ca -0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.25 2rkt n PHE 390 Cb 0.39 -3.48 -0.08 0.00 -0.01 0.00 0.00 39.48 36.30 2rkt n PHE 390 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2rkt n GLY 391 N -0.79 1.72 0.06 1.37 0.00 -1.26 -4.31 105.19 101.97 2rkt n GLY 391 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2rkt n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rkt n LEU 392 N -2.35 0.44 -0.28 0.99 4.77 -0.80 -4.89 117.00 114.88 2rkt n LEU 392 Ca -0.20 0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2rkt n LEU 392 Cb 0.65 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2rkt n LEU 392 CO 0.30 -0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 176.81 2rkt n GLY 393 N 1.29 0.67 0.20 -0.72 0.00 -1.26 -4.86 105.19 100.50 2rkt n GLY 393 Ca 0.06 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.58 2rkt n GLY 393 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rkt n LEU 394 N -0.42 1.33 0.00 0.99 4.77 -1.26 -5.10 117.00 117.31 2rkt n LEU 394 Ca -0.04 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2rkt n LEU 394 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2rkt n LEU 394 CO 0.06 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2rkt n GLY 395 N 1.39 -1.79 3.94 -0.72 0.00 -1.26 -4.61 105.19 102.14 2rkt n GLY 395 Ca 0.06 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 2rkt n GLY 395 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkt s LYS 396 N 0.00 3.13 0.26 1.61 -0.14 -1.26 -4.53 119.74 118.82 2rkt s LYS 396 Ca 0.00 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 2rkt s LYS 396 Cb 0.00 -2.50 -0.13 0.00 -1.68 0.00 0.00 37.83 33.52 2rkt s LYS 396 CO 0.00 -0.30 1.34 -2.30 -0.76 0.00 0.00 175.35 173.33 2rkt n PRO 397 N -2.16 1.96 0.17 -1.68 -0.02 -1.26 -4.87 135.00 127.13 2rkt n PRO 397 Ca 0.01 0.69 0.06 0.00 -2.02 0.00 0.00 63.50 62.25 2rkt n PRO 397 Cb 0.57 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 2rkt n PRO 397 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2rkt h GLU 398 N 3.66 0.00 -3.17 -0.52 4.81 -0.40 -3.46 114.58 115.49 2rkt h GLU 398 Ca -0.45 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2rkt h GLU 398 Cb 1.29 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 2rkt h GLU 398 CO 0.71 0.30 0.04 -0.08 -0.73 0.00 0.00 179.01 179.25 2rkt s THR 399 N -3.06 0.04 -0.20 0.32 -1.32 -1.23 -5.02 115.64 105.17 2rkt s THR 399 Ca 0.05 -0.34 -0.01 0.00 -1.21 0.00 0.00 61.69 60.19 2rkt s THR 399 Cb 0.07 -1.08 0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2rkt s THR 399 CO 0.72 -0.19 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.23 2rkt s VAL 400 N -3.57 1.03 0.03 5.08 1.01 -1.26 -1.75 120.40 120.97 2rkt s VAL 400 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2rkt s VAL 400 Cb 0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2rkt s VAL 400 CO -0.11 -0.06 -0.08 -0.13 0.00 0.00 0.00 175.10 174.72 2rkt s ARG 401 N 1.64 0.57 -0.01 2.72 1.81 -0.28 -4.80 118.95 120.59 2rkt s ARG 401 Ca -0.02 -0.63 -0.28 0.00 -1.72 0.00 0.00 55.73 53.08 2rkt s ARG 401 Cb -0.17 -0.43 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 2rkt s ARG 401 CO -0.07 0.10 0.89 0.50 -0.68 0.00 0.00 175.30 176.03 2rkt s ARG 402 N -1.17 4.53 0.57 3.54 3.52 -1.26 -0.67 118.95 128.00 2rkt s ARG 402 Ca -0.05 1.25 -0.20 0.00 -0.13 0.00 0.00 55.73 56.60 2rkt s ARG 402 Cb -0.08 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 2rkt s ARG 402 CO 0.00 0.00 1.18 -2.30 -0.81 0.00 0.00 175.30 173.38 2rkt n PRO 403 N 3.78 1.31 -2.38 5.12 -0.02 -1.26 -4.93 135.00 136.61 2rkt n PRO 403 Ca 0.03 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 2rkt n PRO 403 Cb 0.51 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2rkt n PRO 403 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2rkt s ILE 404 N -1.38 3.38 0.00 4.25 2.07 -0.21 -4.88 121.20 124.44 2rkt s ILE 404 Ca 0.74 1.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.97 2rkt s ILE 404 Cb -0.43 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 38.68 2rkt s ILE 404 CO 0.48 -0.06 0.00 2.22 -1.91 0.00 0.00 174.94 175.67 2rkt n PHE 405 N -0.53 0.00 -1.72 3.50 1.16 -1.26 -3.01 117.46 115.59 2rkt n PHE 405 Ca 0.07 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.25 2rkt n PHE 405 Cb 0.49 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.38 2rkt n PHE 405 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2rkt n GLU 406 N 0.00 2.09 -2.05 3.97 4.71 -1.26 -4.92 120.64 123.18 2rkt n GLU 406 Ca 0.00 0.74 -0.40 0.00 -0.01 0.00 0.00 57.16 57.49 2rkt n GLU 406 Cb 0.00 -2.47 -0.01 0.00 -1.01 0.00 0.00 31.44 27.94 2rkt n GLU 406 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2rkt s PRO 407 N -2.25 4.20 -0.30 3.49 0.02 -1.26 -4.99 135.00 133.91 2rkt s PRO 407 Ca 0.60 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.87 2rkt s PRO 407 Cb -0.49 -2.96 0.09 0.00 0.02 0.00 0.00 34.50 31.16 2rkt s PRO 407 CO 0.59 -0.33 0.07 0.08 -0.33 0.00 0.00 177.00 177.08 2rkt s VAL 408 N -1.17 1.09 0.20 3.83 1.01 -1.26 -4.74 120.40 119.35 2rkt s VAL 408 Ca 0.52 -1.43 -0.32 0.00 0.00 0.00 0.00 61.98 60.75 2rkt s VAL 408 Cb -0.40 -1.76 -0.12 0.00 0.00 0.00 0.00 36.38 34.10 2rkt s VAL 408 CO 0.53 -0.57 1.74 -0.70 0.00 0.00 0.00 175.10 176.10 2rkt s GLU 409 N 1.52 4.13 0.00 2.72 2.12 -1.26 -1.05 118.70 126.88 2rkt s GLU 409 Ca 0.08 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.01 2rkt s GLU 409 Cb -0.18 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2rkt s GLU 409 CO -0.20 -0.77 0.00 0.43 -0.54 0.00 0.00 175.26 174.19 2rkt n SER 410 N 4.21 -1.05 -4.85 -1.70 7.64 0.12 -4.78 113.62 113.19 2rkt n SER 410 Ca 0.16 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.74 2rkt n SER 410 Cb 0.36 -0.20 0.07 0.00 -1.01 0.00 0.00 64.21 63.43 2rkt n SER 410 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2rkt s LEU 411 N 0.00 2.69 -0.25 -3.43 2.96 -0.21 -4.56 118.68 115.87 2rkt s LEU 411 Ca 0.00 1.12 -0.27 0.00 -0.22 0.00 0.00 54.13 54.76 2rkt s LEU 411 Cb 0.00 -3.79 0.15 0.00 0.50 0.00 0.00 46.19 43.05 2rkt s LEU 411 CO 0.00 -1.70 1.16 -0.31 -1.32 0.00 0.00 176.35 174.18 2rkt s TYR 413 N -3.32 -0.28 0.00 5.38 1.51 -0.29 -1.68 117.35 118.67 2rkt s TYR 413 Ca 0.60 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.26 2rkt s TYR 413 Cb -0.12 0.44 0.00 0.00 -0.11 0.00 0.00 41.96 42.16 2rkt s TYR 413 CO 0.52 -0.19 0.00 1.19 -1.11 0.00 0.00 175.55 175.96 2rkt n PHE 414 N 1.35 0.00 -2.71 2.71 3.72 -1.06 -0.03 117.46 121.44 2rkt n PHE 414 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 2rkt n PHE 414 Cb 0.57 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 2rkt n PHE 414 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2rkt s PRO 416 N 3.05 4.68 0.26 -1.08 0.02 -1.11 0.05 135.00 140.87 2rkt s PRO 416 Ca 0.00 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.19 2rkt s PRO 416 Cb 0.00 -3.37 -0.12 0.00 0.02 0.00 0.00 34.50 31.03 2rkt s PRO 416 CO 0.00 0.18 1.63 1.17 -0.33 0.00 0.00 177.00 179.65 2rkt n LYS 417 N 2.83 2.69 -2.34 5.54 4.81 -0.79 -4.85 118.16 126.06 2rkt n LYS 417 Ca 0.03 0.96 -0.37 0.00 -0.87 0.00 0.00 58.31 58.06 2rkt n LYS 417 Cb 0.49 -2.76 -0.02 0.00 0.02 0.00 0.00 35.03 32.76 2rkt n LYS 417 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2rkt s LYS 418 N 0.04 3.88 0.63 1.64 2.20 -0.62 -4.92 119.74 122.59 2rkt s LYS 418 Ca 0.68 1.71 0.41 0.00 -0.36 0.00 0.00 55.97 58.40 2rkt s LYS 418 Cb -0.51 -2.45 2.14 0.00 -1.51 0.00 0.00 37.83 35.50 2rkt s LYS 418 CO 0.43 -0.43 2.28 -1.35 -0.36 0.00 0.00 175.35 175.92 2rkt h PRO 419 N 2.19 0.00 0.00 4.03 0.11 -1.92 0.35 132.00 136.76 2rkt h PRO 419 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2rkt h PRO 419 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2rkt h PRO 419 CO 0.61 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2rkt n ASP 420 N -3.16 0.00 0.00 -2.05 5.75 -1.26 -4.91 116.55 110.92 2rkt n ASP 420 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 2rkt n ASP 420 Cb 0.13 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2rkt n ASP 420 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rkt n GLY 421 N 0.88 0.46 3.73 6.12 0.00 0.11 -4.69 105.19 111.80 2rkt n GLY 421 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2rkt n GLY 421 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rkt s GLU 422 N -0.99 4.33 0.23 1.61 2.12 -1.25 -4.23 118.70 120.51 2rkt s GLU 422 Ca 0.00 2.13 0.07 0.00 0.36 0.00 0.00 54.97 57.53 2rkt s GLU 422 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2rkt s GLU 422 CO 0.00 -0.38 0.16 -0.06 -0.54 0.00 0.00 175.26 174.43 2rkt s PHE 423 N 0.58 3.08 -0.04 5.30 0.40 -0.32 -1.59 117.98 125.40 2rkt s PHE 423 Ca 0.61 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2rkt s PHE 423 Cb -0.38 -1.41 0.03 0.00 0.51 0.00 0.00 43.02 41.77 2rkt s PHE 423 CO 0.35 0.53 0.03 0.00 0.70 0.00 0.00 175.22 176.83 2rkt s ALA 425 N 1.68 3.15 -0.32 0.00 0.00 -0.55 -4.34 121.76 121.38 2rkt s ALA 425 Ca -0.01 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2rkt s ALA 425 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2rkt s ALA 425 CO -0.03 0.11 0.38 0.00 0.00 0.00 0.00 175.76 176.22 2rkt s ALA 426 N 0.53 3.52 -0.07 0.00 0.00 0.95 -0.96 121.76 125.74 2rkt s ALA 426 Ca -0.00 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.96 2rkt s ALA 426 Cb -0.14 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 2rkt s ALA 426 CO 0.02 -0.93 -0.22 -0.51 0.00 0.00 0.00 175.76 174.12 2rkt s LEU 427 N 2.08 2.01 -0.11 0.00 1.02 -0.16 -1.14 118.68 122.38 2rkt s LEU 427 Ca 0.14 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.84 2rkt s LEU 427 Cb -0.16 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.79 2rkt s LEU 427 CO 0.11 0.19 -0.23 -0.55 0.02 0.00 0.00 176.35 175.89 2rkt s SER 428 N 0.07 3.13 0.01 2.29 0.15 -0.67 -1.39 113.70 117.29 2rkt s SER 428 Ca -0.09 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 55.95 2rkt s SER 428 Cb -0.15 -1.43 -0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2rkt s SER 428 CO 0.05 0.14 0.10 -0.76 1.20 0.00 0.00 173.24 173.97 2rkt s LEU 429 N 0.44 1.71 0.61 3.45 1.43 -1.07 0.12 118.68 125.38 2rkt s LEU 429 Ca -0.16 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2rkt s LEU 429 Cb -0.17 0.55 -0.03 0.00 0.03 0.00 0.00 46.19 46.57 2rkt s LEU 429 CO 0.07 -0.36 1.16 -2.11 0.23 0.00 0.00 176.35 175.33 2rkt n ARG 430 N 1.44 1.10 -0.23 1.70 1.85 -1.26 -1.96 116.66 119.30 2rkt n ARG 430 Ca -0.23 0.42 0.03 0.00 -1.00 0.00 0.00 57.85 57.07 2rkt n ARG 430 Cb 0.56 -2.38 0.14 0.00 -1.05 0.00 0.00 32.46 29.73 2rkt n ARG 430 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2rkt h ASP 431 N 0.64 0.18 -0.50 2.89 3.32 -1.54 -1.58 116.42 119.84 2rkt h ASP 431 Ca -0.50 0.10 0.10 0.00 0.02 0.00 0.00 57.03 56.75 2rkt h ASP 431 Cb 1.35 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.89 2rkt h ASP 431 CO 0.53 0.08 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.55 2rkt h GLU 432 N 0.38 -0.13 -0.54 3.56 5.08 -1.91 0.44 114.58 121.46 2rkt h GLU 432 Ca 0.36 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2rkt h GLU 432 Cb 0.52 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2rkt h GLU 432 CO -0.38 -0.09 0.00 -0.25 -1.00 0.00 0.00 179.01 177.29 2rkt n ASP 433 N -5.42 0.51 0.00 1.42 8.00 -0.59 -2.19 116.55 118.28 2rkt n ASP 433 Ca 0.04 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2rkt n ASP 433 Cb 0.33 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2rkt n ASP 433 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2rkt n ASP 435 N 0.34 0.00 -0.12 -2.24 8.00 0.15 -0.83 116.55 121.86 2rkt n ASP 435 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2rkt n ASP 435 Cb 0.12 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.37 2rkt n ASP 435 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2rkt h ARG 436 N 0.00 0.82 -0.34 -1.24 3.08 -1.65 -2.92 114.38 112.13 2rkt h ARG 436 Ca 0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2rkt h ARG 436 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2rkt h ARG 436 CO 0.00 0.80 0.20 1.25 -1.07 0.00 0.00 179.97 181.15 2rkt h LEU 437 N 0.77 0.41 -2.11 3.04 5.85 -1.25 -1.10 115.31 120.92 2rkt h LEU 437 Ca 0.15 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2rkt h LEU 437 Cb 0.42 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2rkt h LEU 437 CO 0.02 0.35 -0.08 0.11 -0.34 0.00 0.00 178.44 178.50 2rkt h LYS 438 N 0.43 0.00 -0.01 1.25 1.57 -1.77 -1.70 116.57 116.34 2rkt h LYS 438 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2rkt h LYS 438 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2rkt h LYS 438 CO -0.02 0.08 -0.65 0.00 -0.57 0.00 0.00 179.45 178.29 2rkt n ALA 439 N -2.30 3.96 -2.35 3.86 0.00 -0.98 -4.87 120.51 117.83 2rkt n ALA 439 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 2rkt n ALA 439 Cb 0.18 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2rkt n ALA 439 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rkt s ASP 440 N -2.76 6.96 0.19 0.00 -1.08 -0.45 -4.95 116.67 114.58 2rkt s ASP 440 Ca 0.14 1.97 -0.12 0.00 -0.52 0.00 0.00 52.55 54.03 2rkt s ASP 440 Cb 0.17 -2.56 0.11 0.00 -1.46 0.00 0.00 42.92 39.18 2rkt s ASP 440 CO 0.70 -0.63 1.80 0.07 0.52 0.00 0.00 175.17 177.63 2rkt h LYS 441 N 7.53 0.91 -0.28 4.34 5.09 -1.91 -0.82 116.57 131.42 2rkt h LYS 441 Ca -0.37 -0.11 -0.17 0.00 0.09 0.00 0.00 60.65 60.10 2rkt h LYS 441 Cb 1.17 -0.18 -0.00 0.00 0.10 0.00 0.00 32.23 33.32 2rkt h LYS 441 CO 0.88 0.68 -0.51 0.93 -2.09 0.00 0.00 179.45 179.35 2rkt h GLU 442 N 0.89 0.81 0.74 0.07 5.08 -1.96 -2.16 114.58 118.04 2rkt h GLU 442 Ca 0.23 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2rkt h GLU 442 Cb 0.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2rkt h GLU 442 CO -0.04 1.12 -0.39 2.35 -1.00 0.00 0.00 179.01 181.05 2rkt h TRP 443 N 0.63 -1.03 0.00 4.33 2.91 -1.81 -3.17 115.95 117.80 2rkt h TRP 443 Ca 0.02 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2rkt h TRP 443 Cb 1.10 0.35 0.00 0.00 -0.51 0.00 0.00 29.16 30.10 2rkt h TRP 443 CO 0.06 -0.62 0.00 0.25 -1.03 0.00 0.00 178.44 177.11 2rkt n THR 444 N -5.55 0.94 -0.27 2.65 -2.24 -0.33 -1.37 114.28 108.11 2rkt n THR 444 Ca -0.14 0.26 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 2rkt n THR 444 Cb 0.43 -1.12 0.35 0.00 -2.10 0.00 0.00 70.33 67.89 2rkt n THR 444 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2rkt h LYS 445 N 0.00 0.73 0.00 -0.78 3.64 -1.36 -3.33 116.57 115.48 2rkt h LYS 445 Ca 0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2rkt h LYS 445 Cb 0.29 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2rkt h LYS 445 CO 0.00 0.48 -1.40 0.66 -2.27 0.00 0.00 179.45 176.92 2rkt n TYR 446 N -4.55 0.00 -4.09 1.91 4.02 -0.59 -4.99 117.16 108.87 2rkt n TYR 446 Ca 0.16 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.71 2rkt n TYR 446 Cb 0.41 -0.28 -0.13 0.00 -0.02 0.00 0.00 39.34 39.31 2rkt n TYR 446 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2rkt s ALA 447 N -2.18 2.97 -0.27 -0.72 0.00 -0.47 -4.47 121.76 116.62 2rkt s ALA 447 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2rkt s ALA 447 Cb 0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2rkt s ALA 447 CO 0.25 -0.17 0.21 -1.14 0.00 0.00 0.00 175.76 174.91 2rkt s GLN 448 N 1.04 3.99 0.30 0.00 2.00 -0.16 -4.30 119.66 122.53 2rkt s GLN 448 Ca 0.02 -0.25 -0.29 0.00 -2.00 0.00 0.00 55.36 52.83 2rkt s GLN 448 Cb -0.14 -3.63 -0.11 0.00 0.80 0.00 0.00 33.01 29.93 2rkt s GLN 448 CO 0.01 -0.13 1.46 -0.47 -0.50 0.00 0.00 175.29 175.67 2rkt s TYR 449 N 1.60 2.87 0.00 1.67 5.04 -1.26 -0.68 117.35 126.60 2rkt s TYR 449 Ca 0.08 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 2rkt s TYR 449 Cb -0.15 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.26 2rkt s TYR 449 CO 0.09 -2.81 0.00 0.28 -1.34 0.00 0.00 175.55 171.77 2rkt n VAL 450 N 1.66 0.00 -0.18 3.14 0.31 -0.10 -4.87 118.33 118.29 2rkt n VAL 450 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2rkt n VAL 450 Cb 0.40 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2rkt n VAL 450 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12